NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2906 8.2644 123.5832 51.9245 19.9362 175.5648 3 E 4.4628 8.6286 121.1544 53.8097 31.5870 173.6922 4 S 4.6721 9.3381 122.9863 56.8688 66.1020 174.2644 5 I 4.1704 8.3025 127.6393 60.2097 35.3327 175.5135 6 I 4.4885 7.6583 119.6832 59.7974 38.2971 176.3392 7 I 3.9241 7.8553 121.3748 62.4875 38.7485 174.4579 8 R 5.0699 8.5838 124.2769 54.4954 32.5167 174.8803 9 V 4.4438 8.7375 114.4174 59.8569 34.3521 175.3841 10 Q 4.6242 8.7077 124.4017 55.4734 28.4967 175.3669 11 S 4.8398 8.9822 121.2692 55.8972 65.1166 173.9152 12 P 4.2909 0.0000 0.0000 65.8731 31.1513 177.4793 13 D 4.4695 8.2396 117.9353 55.9550 41.3529 175.8805 14 G 3.8980 7.1913 103.9665 46.3494 0.0000 172.5435 15 V 5.3399 8.4338 120.0221 60.7960 31.6827 174.7879 16 K 4.7049 8.2972 126.4350 54.0077 36.2457 175.6676 17 R 4.8757 8.3602 120.3817 55.3677 30.0711 176.8193 18 I 4.0623 8.3881 125.0567 60.6312 39.2824 176.4656 19 T 4.1004 8.4838 117.0599 61.0849 67.3003 173.4220 20 A 4.9300 8.1608 130.4900 50.7944 22.1806 175.3170 21 T 4.6889 9.2918 111.1865 59.5391 71.4080 174.7175 22 K 4.2257 8.6213 119.8010 59.1264 32.1949 178.1730 23 R 4.7469 7.4743 115.8471 54.3975 33.8360 174.0485 24 E 4.7218 8.4275 117.1746 54.8065 31.8451 175.8098 25 T 4.4729 7.9613 111.6018 60.3159 72.3889 175.4610 26 A 4.0889 8.4574 121.4401 55.3484 18.2911 179.4649 27 A 4.1150 8.0765 118.7974 55.6720 18.3222 179.8804 28 T 3.8675 7.4442 114.2337 66.7104 68.5301 176.8259 29 F 3.9424 8.2525 122.1986 61.1979 39.4444 177.2618 30 L 4.0894 8.7748 119.0598 57.7167 41.1448 179.4607 31 K 4.0243 8.1337 119.6467 59.0289 32.0821 179.2234 32 K 3.7799 7.5430 119.0077 59.6057 32.0502 179.8752 33 V 3.9843 7.5473 111.9512 63.8895 31.3226 178.3572 34 A 4.9039 7.7239 121.4422 53.4749 17.8982 178.9541 35 K 4.1259 7.0083 115.2332 58.0826 33.6546 178.2903 36 E 3.8285 8.3141 117.9056 59.0521 29.5041 178.1359 37 F 4.1565 7.8645 114.7889 56.7258 40.0469 176.7935 38 G 4.2257 8.0604 107.5709 47.1038 0.0000 173.5892 39 F 4.9553 7.7373 118.3160 56.6500 40.3885 174.1111 40 Q 5.0223 8.4325 122.1997 54.1219 30.7272 176.0693 41 N 4.6853 8.8392 120.8394 55.6463 37.5034 175.3955 42 N 4.8683 8.2508 114.2337 52.9037 38.9978 174.9406 43 G 3.8932 7.8835 106.4494 46.8891 0.0000 173.9364 44 F 3.9100 8.6593 123.0296 57.9754 39.6432 174.2085 45 S 4.5633 7.6154 123.7981 56.5319 64.7534 173.5323 46 V 4.0081 8.0944 124.3802 61.5682 32.3026 174.4524 47 Y 4.6752 8.3320 127.3481 55.8237 41.6006 175.0919 48 I 4.9348 7.5551 119.2498 59.0551 38.1728 174.2120 49 N 4.2087 7.5636 117.3606 53.0205 42.3644 174.1846 50 R 4.1461 7.4758 119.9037 56.7367 31.1283 175.7277 51 N 4.1287 8.7584 105.6786 54.4248 35.5347 175.3678 52 K 4.0981 7.8634 122.2210 59.5418 32.0747 177.4076 53 T 4.0588 7.8770 115.1942 65.9407 68.6487 176.1966 54 G 3.7793 7.9964 106.4790 46.0487 0.0000 175.2655 55 E 4.7182 7.6130 121.7659 57.2462 29.5776 176.4218 56 I 4.0703 6.9818 118.7054 61.6811 35.8622 175.3708 57 T 3.7486 8.6084 126.6931 64.2393 67.0340 173.9818 58 A 4.0060 7.8566 121.5213 54.5993 18.6860 177.6100 59 S 4.5812 7.5509 111.7625 57.6610 61.5840 174.1307 60 S 4.5624 8.1508 118.7498 58.0202 63.4134 175.0182 61 S 4.3340 7.9229 116.3284 58.4302 63.3069 173.4905 62 K 4.4500 8.2238 121.3668 55.3713 33.0866 177.4159 63 S 4.5638 8.5677 118.8503 58.8629 63.0275 175.2342 64 L 4.4859 7.3137 125.8431 54.7802 42.0707 177.6346 65 H 4.4283 8.6893 116.6876 58.2772 28.9581 176.5471 66 L 4.0189 7.7107 122.2181 58.3210 42.0309 177.9453 67 L 3.9524 7.7694 116.1604 55.1047 41.8774 174.7840 68 K 3.7030 7.3527 119.8886 56.3099 28.9979 173.9488 69 I 4.0691 7.8474 123.0021 60.0924 38.0788 176.6753 70 K 4.3378 8.6821 125.2907 55.8941 32.9723 177.7613 71 H 4.4990 8.2784 121.0408 53.1746 27.5223 173.7378 72 G 3.7090 8.1849 112.7907 44.9427 0.0000 171.2751 73 D 4.4391 8.0616 120.0080 53.5357 41.6031 175.6108 74 L 4.1214 8.4710 126.3028 54.5591 42.6371 175.8030 75 L 5.0065 8.2617 123.2230 53.1408 42.8991 176.2121 76 F 4.2930 9.3052 124.4315 56.8081 39.0053 176.0194 77 L 4.4263 8.1056 122.3483 54.6344 41.5450 176.7990 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 4.29 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 3 E 8.63 4.46 0.00 2.00 1.84 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 2.23 2.44 0.00 4 S 9.34 4.67 0.00 3.86 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 5 I 8.30 4.17 1.89 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 1.51 0.79 0.97 0.00 0.00 6 I 7.66 4.49 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 0.67 0.92 0.00 0.00 7 I 7.86 3.92 1.88 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 1.45 1.33 0.97 0.00 0.00 8 R 8.58 5.07 0.00 1.90 1.86 0.00 3.02 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 9 V 8.74 4.44 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 1.13 0.00 0.00 1.15 0.00 0.00 10 Q 8.71 4.62 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.45 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 11 S 8.98 4.84 0.00 3.96 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 12 P 0.00 4.29 0.00 2.23 2.25 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 13 D 8.24 4.47 0.00 2.76 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 14 G 7.19 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.43 5.34 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 0.96 0.00 0.00 0.88 0.00 0.00 16 K 8.30 4.70 0.00 1.72 1.69 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.38 7.81 17 R 8.36 4.88 0.00 1.71 1.92 0.00 3.26 0.00 0.00 2.25 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.48 0.00 18 I 8.39 4.06 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 1.19 0.00 0.00 19 T 8.48 4.10 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 1.18 0.00 0.00 20 A 8.16 4.93 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 T 9.29 4.69 4.27 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 1.23 0.00 0.00 22 K 8.62 4.23 0.00 1.78 1.95 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.72 7.81 23 R 7.47 4.75 0.00 1.76 1.80 0.00 3.46 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 24 E 8.43 4.72 0.00 2.09 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 2.19 2.34 0.00 25 T 7.96 4.47 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 1.24 0.00 0.00 26 A 8.46 4.09 1.40 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 0.00 0.00 0.00 27 A 8.08 4.12 1.37 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 0.00 0.00 28 T 7.44 3.87 4.42 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 1.24 0.00 0.00 29 F 8.25 3.94 0.00 3.14 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 30 L 8.77 4.09 0.00 1.97 1.80 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.13 4.02 0.00 2.01 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 32 K 7.54 3.78 0.00 1.48 1.52 0.00 1.26 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.59 7.81 33 V 7.55 3.98 1.83 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 0.44 0.00 0.00 0.32 0.00 0.00 34 A 7.72 4.90 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 35 K 7.01 4.13 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 36 E 8.31 3.83 0.00 1.70 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 2.27 2.27 0.00 37 F 7.86 4.16 0.00 2.56 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 0.00 0.00 0.00 38 G 8.06 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 39 F 7.74 4.96 0.00 3.12 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 40 Q 8.43 5.02 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 41 N 8.84 4.69 0.00 2.94 3.01 0.00 0.00 6.10 8.08 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 42 N 8.25 4.87 0.00 2.77 2.90 0.00 0.00 6.65 7.68 0.00 0.00 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 G 7.88 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 0.00 0.00 0.00 44 F 8.66 3.91 0.00 2.94 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 45 S 7.62 4.56 0.00 3.61 3.61 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 0.00 0.00 0.00 0.00 46 V 8.09 4.01 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 0.73 0.00 0.00 1.08 0.00 0.00 47 Y 8.33 4.68 0.00 2.89 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 48 I 7.56 4.93 1.83 0.00 0.00 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 1.08 0.99 0.91 0.00 0.00 49 N 7.56 4.21 0.00 2.26 2.38 0.00 0.00 7.14 7.54 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 50 R 7.48 4.15 0.00 1.93 1.69 0.00 3.19 0.00 0.00 3.19 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 51 N 8.76 4.13 0.00 3.05 2.94 0.00 0.00 6.47 7.44 0.00 0.00 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 K 7.86 4.10 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 53 T 7.88 4.06 4.21 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 1.18 0.00 0.00 54 G 8.00 3.78 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 0.00 0.00 0.00 55 E 7.61 4.72 0.00 1.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 56 I 6.98 4.07 1.82 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 1.22 0.38 0.87 0.00 0.00 57 T 8.61 3.75 4.21 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 1.19 0.00 0.00 58 A 7.86 4.01 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 59 S 7.55 4.58 0.00 4.06 4.01 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 60 S 8.15 4.56 0.00 3.82 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 61 S 7.92 4.33 0.00 3.82 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 62 K 8.22 4.45 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 63 S 8.57 4.56 0.00 3.83 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 64 L 7.31 4.49 0.00 1.57 1.50 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.69 4.43 0.00 3.24 3.42 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.71 4.02 0.00 1.48 1.80 0.88 0.94 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 67 L 7.77 3.95 0.00 1.59 1.61 0.73 0.79 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 68 K 7.35 3.70 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.57 7.81 69 I 7.85 4.07 1.85 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 0.45 0.89 0.00 0.00 70 K 8.68 4.34 0.00 1.91 1.76 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.37 7.81 71 H 8.28 4.50 0.00 3.07 3.26 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.18 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.06 4.44 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.47 4.12 0.00 1.73 1.37 0.83 0.78 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 75 L 8.26 5.01 0.00 1.68 1.70 0.77 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.31 4.29 0.00 3.07 3.13 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 77 L 8.11 4.43 0.00 1.84 1.53 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00