NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2741 8.2549 120.8602 56.1630 32.0929 176.8126 7 C 4.3937 8.0679 114.3463 56.7394 40.6834 171.7642 8 Q 4.1228 10.0110 121.8473 56.6416 30.3796 175.3466 9 C 4.7617 8.5624 116.0165 55.7850 41.5401 173.3911 10 I 4.1462 8.4102 124.5285 62.3638 37.9586 175.8981 11 K 4.7639 7.6795 116.1628 55.2044 35.6395 175.0808 12 T 4.8889 8.1968 108.9949 59.8406 71.2255 172.9599 13 Y 4.3984 9.0337 125.7482 57.5278 39.4013 175.4097 14 S 4.7694 8.0705 121.0715 58.1074 64.3493 173.8935 15 K 4.0039 6.8955 122.2029 53.9544 31.5488 174.1274 16 P 2.0000 0.0000 0.0000 62.4507 31.5245 175.7039 17 F 5.0408 7.4748 115.2295 55.2729 41.1790 173.3274 18 H 4.4299 9.1345 121.0769 55.1425 30.4599 174.1653 19 P 4.6151 0.0000 0.0000 64.2393 31.4575 178.2553 20 K 4.0090 8.2092 118.2381 59.7358 32.6552 177.7528 21 F 4.6602 7.8678 117.2778 58.3531 39.3344 175.0378 22 I 4.4721 7.6091 122.9025 60.2452 37.6706 175.5551 23 K 4.7774 8.6603 123.2293 56.8204 34.3985 175.7620 24 E 4.8733 7.6231 121.1065 54.8140 33.1646 173.2197 25 L 5.0351 8.5935 126.7101 53.4109 45.7118 175.6747 26 R 4.6964 8.7516 122.8095 54.5875 34.5476 174.1110 27 V 4.7296 8.5707 123.2197 61.1726 34.1707 174.5491 28 I 4.4237 8.7387 129.7667 59.1552 39.1700 175.0484 29 E 4.5311 9.0676 128.4412 55.2690 30.2635 176.6997 30 S 4.3383 8.8184 119.4249 58.9058 63.7162 174.7806 31 G 4.0112 8.6724 107.3631 45.9274 0.0000 172.2720 32 P 4.1261 0.0000 0.0000 65.2082 31.7122 177.2655 33 C 4.3586 8.0513 114.9361 61.2900 29.0140 174.5957 34 C 4.8758 7.7717 118.1325 54.5020 46.0587 174.4471 35 A 4.0173 8.7489 129.0361 53.9484 18.4279 176.6924 36 N 5.1988 7.6524 111.8935 51.2685 41.9856 174.6745 37 T 4.3111 8.4254 118.0070 63.7652 70.1197 173.1935 38 E 4.7759 9.2580 124.7825 54.5447 33.2540 175.0611 39 I 4.9407 8.3344 123.6808 59.7208 40.5473 174.3060 40 I 4.9819 8.8601 128.9350 59.5471 39.7267 175.3046 41 V 4.7770 8.9108 120.7058 59.4277 35.0524 174.8199 42 K 4.8174 8.6497 123.4506 54.8978 34.0757 176.1959 43 L 4.9764 8.7926 126.0089 53.4089 43.1843 178.3546 44 S 4.1870 8.7754 115.8838 61.2010 63.0363 175.0244 45 D 4.5221 7.9236 118.4239 53.3858 39.4376 175.7080 46 G 4.0790 7.9001 108.8741 45.8274 0.0000 174.9755 47 R 4.0232 8.2832 118.3456 56.1912 31.4219 176.1738 48 E 4.9803 8.6784 122.0526 54.9820 31.0417 175.1381 49 L 4.7822 8.7607 125.3770 53.0713 44.9520 175.0518 50 C 5.3136 8.7011 119.3858 55.5788 42.2265 172.7556 51 L 5.1256 8.7984 123.6848 52.6965 44.7858 176.2460 52 D 4.4686 8.4165 121.3755 52.7594 40.6730 175.3079 53 P 4.2933 0.0000 0.0000 64.7156 31.3217 177.2627 54 K 4.2104 7.9041 117.4880 57.3195 32.8282 177.3319 55 E 4.1958 7.8118 120.3422 55.5375 31.0494 177.1700 56 N 4.3020 8.7677 121.5409 56.2628 38.7924 177.6495 57 W 4.2776 8.2155 117.6061 59.4904 28.0859 178.4190 58 V 2.6889 6.5727 118.4436 65.6333 31.0992 177.8643 59 Q 3.8967 7.7805 117.7212 58.9860 28.4762 179.2306 60 R 3.9622 7.9840 119.2214 59.0619 30.2700 179.1660 61 V 3.5736 7.8278 118.1532 66.0047 31.5482 178.3264 62 V 3.6821 7.9913 118.2498 65.8739 31.3473 177.6518 63 E 3.9646 8.1366 118.8699 59.2411 29.4969 178.9970 64 K 4.0031 8.1860 118.6147 59.2404 32.0844 179.2010 65 F 4.1508 8.2096 120.6831 61.1324 39.4022 176.7023 66 L 3.6567 7.9961 119.9560 58.3102 41.6189 179.2093 67 K 3.9317 7.6821 116.7417 59.2420 32.2235 179.1399 68 R 3.9267 7.8747 118.7591 59.3947 30.0101 178.3890 69 A 3.8018 7.8638 120.9220 55.1229 18.0966 179.0860 70 E 4.0150 7.9058 114.8597 58.1514 29.5986 177.9869 71 N 4.7327 7.7536 115.5549 53.3394 39.0178 175.1355 72 S 4.2391 7.9812 122.6448 58.6688 63.8862 173.6959 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 6 R 8.25 4.27 0.00 1.77 2.31 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 7 C 8.07 4.39 0.00 3.09 3.18 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 0.00 0.00 0.00 0.00 8 Q 10.01 4.12 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 9 C 8.56 4.76 0.00 3.06 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 10 I 8.41 4.15 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 1.48 0.54 0.92 0.00 0.00 11 K 7.68 4.76 0.00 1.83 1.74 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.46 7.81 12 T 8.20 4.89 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 1.24 0.00 0.00 13 Y 9.03 4.40 0.00 2.95 3.12 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 0.00 0.00 0.00 14 S 8.07 4.77 0.00 3.79 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 15 K 6.90 4.00 0.00 1.35 1.53 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.44 7.81 16 P 0.00 2.00 0.00 1.54 0.86 0.00 3.31 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.00 17 F 7.47 5.04 0.00 3.26 3.08 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 18 H 9.13 4.43 0.00 3.33 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.62 0.00 2.37 2.48 0.00 3.25 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 20 K 8.21 4.01 0.00 1.64 1.80 0.00 0.96 0.00 0.00 0.95 0.00 0.00 2.54 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.35 0.21 7.81 21 F 7.87 4.66 0.00 3.24 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 22 I 7.61 4.47 1.75 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 1.50 0.87 0.18 0.00 0.00 23 K 8.66 4.78 0.00 1.78 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.35 7.81 24 E 7.62 4.87 0.00 2.04 1.74 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 2.31 2.37 0.00 25 L 8.59 5.04 0.00 1.45 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.75 4.70 0.00 1.91 1.75 0.00 3.12 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 27 V 8.57 4.73 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 0.81 0.00 0.00 0.95 0.00 0.00 28 I 8.74 4.42 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 1.12 0.69 0.91 0.00 0.00 29 E 9.07 4.53 0.00 1.97 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 2.29 2.15 0.00 30 S 8.82 4.34 0.00 3.91 3.85 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 0.00 0.00 0.00 31 G 8.67 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 0.00 0.00 0.00 32 P 0.00 4.13 0.00 2.05 2.13 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 33 C 8.05 4.36 0.00 2.96 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 34 C 7.77 4.88 0.00 2.95 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 35 A 8.75 4.02 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 36 N 7.65 5.20 0.00 2.55 2.68 0.00 0.00 6.98 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 37 T 8.43 4.31 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 38 E 9.26 4.78 0.00 1.86 1.80 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 2.20 2.37 0.00 39 I 8.33 4.94 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.87 0.00 0.00 40 I 8.86 4.98 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 1.23 0.92 0.95 0.00 0.00 41 V 8.91 4.78 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 0.71 0.00 0.00 1.07 0.00 0.00 42 K 8.65 4.82 0.00 1.65 1.68 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.36 7.81 43 L 8.79 4.98 0.00 1.56 1.46 0.44 0.40 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 44 S 8.78 4.19 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 45 D 7.92 4.52 0.00 2.70 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 46 G 7.90 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 47 R 8.28 4.02 0.00 1.65 1.73 0.00 2.94 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 48 E 8.68 4.98 0.00 1.79 1.86 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 2.18 2.27 0.00 49 L 8.76 4.78 0.00 1.51 1.54 -0.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.70 5.31 0.00 3.14 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 51 L 8.80 5.13 0.00 1.35 1.35 0.93 1.35 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 52 D 8.42 4.47 0.00 2.66 2.46 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 53 P 0.00 4.29 0.00 2.16 2.11 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 54 K 7.90 4.21 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 55 E 7.81 4.20 0.00 1.60 1.54 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 2.39 2.44 0.00 56 N 8.77 4.30 0.00 2.82 2.92 0.00 0.00 6.89 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 57 W 8.22 4.28 0.00 3.48 3.30 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 58 V 6.57 2.69 1.72 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 0.82 0.00 0.00 -0.64 0.00 0.00 59 Q 7.78 3.90 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 60 R 7.98 3.96 0.00 2.08 2.00 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 61 V 7.83 3.57 2.21 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 0.84 0.00 0.00 0.91 0.00 0.00 62 V 7.99 3.68 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 0.98 0.00 0.00 0.92 0.00 0.00 63 E 8.14 3.96 0.00 2.27 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 0.00 2.30 2.39 0.00 64 K 8.19 4.00 0.00 2.02 1.87 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 65 F 8.21 4.15 0.00 3.19 3.24 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 66 L 8.00 3.66 0.00 2.02 1.73 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.68 3.93 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.57 7.81 68 R 7.87 3.93 0.00 1.98 1.95 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 A 7.86 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.91 4.02 0.00 2.04 1.97 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 2.28 2.41 0.00 71 N 7.75 4.73 0.00 2.86 2.81 0.00 0.00 6.72 7.18 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 72 S 7.98 4.24 0.00 3.83 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