NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.2979 8.3044 120.3428 54.8739 33.3511 174.6491 21 K 3.6828 8.5399 127.6393 54.8665 32.4514 174.6721 22 T 4.3274 8.8459 115.6262 60.9808 70.8537 172.5756 23 E 5.1092 6.9518 119.9120 55.0700 34.2387 175.1069 24 W 5.1392 9.0538 119.6462 54.6011 29.6644 174.8579 25 P 4.3955 0.0000 0.0000 65.3555 31.4722 179.0484 26 E 4.1867 8.2207 115.5927 58.1293 29.8651 177.3501 27 L 4.3260 8.1775 119.4540 55.4299 42.3194 176.8991 28 V 3.8550 7.3410 119.4179 64.1326 31.7465 176.3417 29 G 3.9687 9.0803 115.6776 45.3768 0.0000 173.6952 30 K 4.3818 7.7385 119.7818 54.9788 33.5315 176.4764 31 S 4.7423 8.5055 116.7936 57.8549 64.8663 175.6563 32 V 3.6069 8.3098 123.9935 64.9917 30.9819 178.6507 33 E 3.8851 8.0533 118.7135 59.3021 29.3827 178.7537 34 E 3.8881 8.3786 119.1790 59.0366 29.5980 178.5112 35 A 3.8811 8.0519 120.8643 55.1417 18.3755 179.6808 36 K 3.7056 8.0433 116.8878 59.4052 32.2403 179.4449 37 K 3.8424 7.9043 119.7749 59.4722 32.1540 179.0696 38 V 3.5737 7.8464 118.4981 66.0378 31.4034 177.9677 39 I 3.1098 7.5898 119.7326 64.2924 36.7235 178.4848 40 L 4.1320 7.9983 119.4163 57.4072 41.0923 179.6621 41 Q 4.0125 7.6102 117.4520 59.0578 28.7743 177.8945 42 D 4.7647 8.0458 118.6830 55.8553 42.5042 177.0991 43 K 4.7035 8.3563 120.4337 53.9605 32.6923 174.3119 44 P 4.4699 0.0000 0.0000 64.1982 31.8130 177.3266 45 A 4.3059 7.8856 117.9597 51.8486 19.0310 176.9006 46 A 4.2032 7.6701 118.6805 52.9090 19.3297 177.8967 47 Q 4.3212 9.2804 121.5752 54.7537 29.8991 174.7091 48 I 4.7681 8.1116 125.3725 59.9501 38.9722 175.6053 49 I 4.4518 8.2222 126.6397 59.4479 40.5137 174.3795 50 V 4.6172 8.3311 126.9982 61.3889 32.8383 174.8125 51 L 4.8742 8.5227 126.4136 52.2101 46.8522 173.9533 52 P 4.9364 0.0000 0.0000 62.1961 32.4190 176.7902 53 V 3.8911 8.7799 124.6366 63.2316 31.7861 176.3736 54 G 3.7943 8.7124 109.5222 46.2238 0.0000 173.2003 55 T 4.5198 7.1900 108.5693 59.8164 70.9414 173.6099 56 I 4.4774 7.9810 121.9800 59.8234 38.8807 175.8280 57 V 4.6480 7.9340 116.1166 58.5219 35.5058 173.7786 58 P 4.5331 0.0000 0.0000 63.4615 31.7966 175.9627 59 M 4.6852 8.2574 117.7439 55.0859 32.6185 176.4406 60 E 4.2917 8.1143 115.6514 55.9049 31.0551 175.0984 61 Y 4.7223 8.4894 121.2613 56.0001 40.2994 175.1917 62 R 4.4165 8.3363 127.4616 54.0165 31.9194 176.7507 63 I 3.5074 8.3015 124.2903 63.2947 38.3451 176.1410 64 D 4.5691 7.9319 118.1653 53.7621 40.3225 175.3667 65 R 4.9286 7.6588 121.5098 54.8014 32.9118 175.2475 66 V 4.7043 8.3783 124.1545 61.1805 34.3609 174.5670 67 R 4.4404 8.6254 127.4336 55.7736 31.2452 176.1948 68 L 4.5589 8.6806 123.4116 53.0141 44.4791 175.4600 69 F 5.0567 8.7574 123.5561 56.4246 40.5845 175.4963 70 V 5.0379 8.7035 117.7188 59.5354 35.0278 176.1618 71 D 4.7715 8.6867 123.5303 52.2913 40.9826 177.0691 72 R 4.1184 8.4221 114.3087 58.2316 29.5035 176.9928 73 L 4.3131 8.0096 117.2178 54.5004 42.3306 176.0463 74 D 4.5234 8.1012 118.1348 55.4692 38.5122 173.2795 75 N 5.2707 8.0368 115.5429 51.2840 40.7222 174.8867 76 I 3.9758 8.7814 122.3736 61.7557 37.4831 176.7171 77 A 4.7943 8.9596 126.8559 51.7489 19.8281 175.5370 78 Q 4.5388 7.7467 115.8478 54.1632 32.0967 174.0336 79 V 3.7738 8.4863 124.2310 62.9156 32.0787 173.8848 80 P 4.7860 0.0000 0.0000 62.8701 32.3811 175.5854 81 R 5.4472 8.5021 118.7471 54.5935 32.7043 174.8144 82 V 3.9853 8.6819 120.6718 62.7986 32.6779 176.3537 83 G 2.9298 8.2788 114.1232 45.1459 0.0000 172.9807 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 20 M 8.30 4.30 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 21 K 8.54 3.68 0.00 1.67 1.52 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.37 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.90 7.81 22 T 8.85 4.33 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 1.24 0.00 0.00 23 E 6.95 5.11 0.00 1.82 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 0.00 2.16 2.22 0.00 24 W 9.05 5.14 0.00 3.35 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 25 P 0.00 4.40 0.00 2.25 2.35 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 26 E 8.22 4.19 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 27 L 8.18 4.33 0.00 1.97 1.76 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.34 3.86 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 0.82 0.00 0.00 1.04 0.00 0.00 29 G 9.08 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 0.00 0.00 0.00 30 K 7.74 4.38 0.00 1.90 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.53 7.81 31 S 8.51 4.74 0.00 4.24 3.99 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 0.00 0.00 0.00 0.00 32 V 8.31 3.61 2.15 0.00 0.00 0.00 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 0.87 0.00 0.00 33 E 8.05 3.89 0.00 2.05 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 2.38 2.40 0.00 34 E 8.38 3.89 0.00 2.02 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 2.29 2.31 0.00 35 A 8.05 3.88 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 36 K 8.04 3.71 0.00 1.89 1.79 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.55 7.81 37 K 7.90 3.84 0.00 1.80 1.91 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 38 V 7.85 3.57 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 1.06 0.00 0.00 0.96 0.00 0.00 39 I 7.59 3.11 1.50 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.35 0.00 0.00 40 L 8.00 4.13 0.00 1.63 1.68 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.61 4.01 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 42 D 8.05 4.76 0.00 3.23 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 43 K 8.36 4.70 0.00 1.96 1.83 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.50 7.81 44 P 0.00 4.47 0.00 2.08 2.11 0.00 3.80 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 45 A 7.89 4.31 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 46 A 7.67 4.20 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 47 Q 9.28 4.32 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 48 I 8.11 4.77 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.41 0.78 0.00 0.00 49 I 8.22 4.45 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.47 0.78 0.00 0.00 50 V 8.33 4.62 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 0.73 0.00 0.00 0.84 0.00 0.00 51 L 8.52 4.87 0.00 1.23 1.48 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.94 0.00 2.13 2.01 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.78 3.89 2.18 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 0.74 0.00 0.00 0.90 0.00 0.00 54 G 8.71 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 0.00 0.00 0.00 55 T 7.19 4.52 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 1.27 0.00 0.00 56 I 7.98 4.48 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.93 0.00 0.00 57 V 7.93 4.65 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 1.00 0.00 0.00 1.08 0.00 0.00 58 P 0.00 4.53 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 59 M 8.26 4.69 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 60 E 8.11 4.29 0.00 2.12 1.98 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 2.29 2.25 0.00 61 Y 8.49 4.72 0.00 2.88 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 62 R 8.34 4.42 0.00 1.71 1.90 0.00 3.15 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 63 I 8.30 3.51 1.87 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 1.48 0.76 0.90 0.00 0.00 64 D 7.93 4.57 0.00 2.84 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 65 R 7.66 4.93 0.00 1.86 1.85 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 66 V 8.38 4.70 1.91 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 0.79 0.00 0.00 0.91 0.00 0.00 67 R 8.63 4.44 0.00 1.65 1.19 0.00 3.32 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 68 L 8.68 4.56 0.00 1.37 1.47 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.76 5.06 0.00 3.02 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 70 V 8.70 5.04 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 0.72 0.00 0.00 1.04 0.00 0.00 71 D 8.69 4.77 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.42 4.12 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.01 4.31 0.00 1.79 1.75 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.10 4.52 0.00 3.00 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 75 N 8.04 5.27 0.00 2.94 2.80 0.00 0.00 7.07 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.78 3.98 2.06 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 1.42 0.98 0.98 0.00 0.00 77 A 8.96 4.79 1.30 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 0.00 0.00 0.00 78 Q 7.75 4.54 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 79 V 8.49 3.77 2.16 0.00 0.00 0.00 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 0.98 0.00 0.00 80 P 0.00 4.79 0.00 2.30 1.94 0.00 4.02 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 81 R 8.50 5.45 0.00 1.99 1.99 0.00 3.20 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 82 V 8.68 3.99 2.17 0.00 0.00 0.00 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 1.16 0.00 0.00 83 G 8.28 2.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00