#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a91 h GLU 2 N 0.00 1.05 0.08 0.03 4.81 -2.01 -1.52 114.58 117.02 1a91 h GLU 2 Ca 0.00 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.87 1a91 h GLU 2 Cb 0.00 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.23 1a91 h GLU 2 CO 0.00 0.87 -0.70 -0.91 -0.73 0.00 0.00 179.01 177.54 1a91 h ASN 3 N 1.00 0.48 -0.12 1.04 2.35 -2.00 -3.17 115.58 115.15 1a91 h ASN 3 Ca 0.23 -0.87 0.04 0.00 -0.55 0.00 0.00 56.30 55.14 1a91 h ASN 3 Cb 0.22 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1a91 h ASN 3 CO -0.02 1.31 0.20 -0.07 -1.65 0.00 0.00 177.43 177.20 1a91 h LEU 4 N -0.28 0.00 0.00 1.61 -0.00 -1.98 -1.52 115.31 113.15 1a91 h LEU 4 Ca -0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.60 1a91 h LEU 4 Cb 1.49 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.16 1a91 h LEU 4 CO 0.13 0.00 -0.65 -1.13 -0.00 0.00 0.00 178.44 176.80 1a91 h ASN 5 N 0.00 0.57 0.61 -0.43 -0.73 -1.25 -0.86 115.58 113.49 1a91 h ASN 5 Ca 0.06 -0.76 -0.07 0.00 1.87 0.00 0.00 56.30 57.39 1a91 h ASN 5 Cb 0.45 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1a91 h ASN 5 CO -0.00 1.26 -0.35 0.24 -0.37 0.00 0.00 177.43 178.21 1a91 h MET 6 N -0.06 0.00 -0.18 6.67 2.86 -1.48 -0.36 114.93 122.38 1a91 h MET 6 Ca -0.08 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.38 1a91 h MET 6 Cb 1.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 1a91 h MET 6 CO 0.13 0.35 -0.61 0.22 1.06 0.00 0.00 176.91 178.06 1a91 h ASP 7 N 0.00 0.69 0.76 1.22 3.58 -1.23 -2.66 116.42 118.78 1a91 h ASP 7 Ca -0.00 -0.39 -0.21 0.00 0.42 0.00 0.00 57.03 56.85 1a91 h ASP 7 Cb 0.74 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1a91 h ASP 7 CO 0.04 1.13 -0.95 0.25 -2.88 0.00 0.00 179.24 176.84 1a91 h LEU 8 N 0.45 0.15 -0.31 2.28 5.85 -0.75 -1.39 115.31 121.60 1a91 h LEU 8 Ca -0.00 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1a91 h LEU 8 Cb 1.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1a91 h LEU 8 CO 0.12 1.02 0.01 -0.07 -0.34 0.00 0.00 178.44 179.17 1a91 h LEU 9 N 0.05 0.53 -0.35 2.25 4.07 -1.09 -0.46 115.31 120.30 1a91 h LEU 9 Ca -0.04 -0.30 -0.13 0.00 0.08 0.00 0.00 57.88 57.49 1a91 h LEU 9 Cb 1.64 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.23 1a91 h LEU 9 CO 0.14 0.70 -0.28 1.88 -1.08 0.00 0.00 178.44 179.80 1a91 h TYR 10 N 0.34 0.95 -0.25 1.13 0.05 -1.49 -3.08 116.97 114.62 1a91 h TYR 10 Ca 0.09 -0.27 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 1a91 h TYR 10 Cb 0.43 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1a91 h TYR 10 CO 0.03 1.04 0.06 1.98 -1.05 0.00 0.00 178.16 180.23 1a91 h MET 11 N 0.59 0.35 0.88 4.88 4.05 -1.22 -2.82 114.93 121.63 1a91 h MET 11 Ca 0.06 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1a91 h MET 11 Cb 0.85 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 31.60 1a91 h MET 11 CO 0.07 0.33 -0.42 0.00 0.23 0.00 0.00 176.91 177.12 1a91 h ALA 12 N 1.72 -1.19 -0.02 0.39 0.00 -0.99 -2.38 119.26 116.79 1a91 h ALA 12 Ca 0.09 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1a91 h ALA 12 Cb 0.14 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a91 h ALA 12 CO -0.00 -1.10 0.06 0.00 0.00 0.00 0.00 179.25 178.20 1a91 h ALA 13 N -1.33 1.27 0.05 0.00 0.00 -1.51 -0.05 119.26 117.68 1a91 h ALA 13 Ca -0.12 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.48 1a91 h ALA 13 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1a91 h ALA 13 CO 0.20 -0.07 -1.69 0.00 0.00 0.00 0.00 179.25 177.69 1a91 h ALA 14 N 1.90 0.58 0.09 0.00 0.00 -1.34 -1.86 119.26 118.63 1a91 h ALA 14 Ca 0.01 -1.34 -0.27 0.00 0.00 0.00 0.00 54.91 53.31 1a91 h ALA 14 Cb 0.13 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a91 h ALA 14 CO -0.00 1.42 -1.25 0.28 0.00 0.00 0.00 179.25 179.70 1a91 h VAL 15 N 0.03 1.47 0.00 0.00 2.07 -1.24 -2.91 116.25 115.67 1a91 h VAL 15 Ca -0.29 -3.09 -0.04 0.00 0.82 0.00 0.00 66.70 64.10 1a91 h VAL 15 Cb 2.00 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 34.64 1a91 h VAL 15 CO 0.10 0.89 -0.26 -0.03 0.02 0.00 0.00 177.57 178.29 1a91 h MET 16 N 0.05 0.00 0.00 1.57 -1.53 -1.09 -2.88 114.93 111.05 1a91 h MET 16 Ca -0.13 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.05 1a91 h MET 16 Cb 1.93 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.97 1a91 h MET 16 CO 0.18 0.68 -0.43 0.52 0.14 0.00 0.00 176.91 178.00 1a91 h MET 17 N -1.00 0.00 -0.28 0.39 2.86 -1.53 -2.41 114.93 112.96 1a91 h MET 17 Ca -0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1a91 h MET 17 Cb 0.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1a91 h MET 17 CO -0.04 0.36 0.05 0.78 1.06 0.00 0.00 176.91 179.12 1a91 h GLY 18 N 3.64 0.50 0.78 8.32 0.00 -1.64 -2.13 103.07 112.55 1a91 h GLY 18 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1a91 h GLY 18 CO 0.05 0.30 -0.06 -2.00 0.00 0.00 0.00 176.54 174.83 1a91 h LEU 19 N 0.28 -0.15 0.00 3.11 6.46 -1.46 -3.13 115.31 120.43 1a91 h LEU 19 Ca 0.09 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1a91 h LEU 19 Cb 0.32 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1a91 h LEU 19 CO 0.00 0.10 -0.00 0.00 -0.62 0.00 0.00 178.44 177.92 1a91 h ALA 20 N 0.45 -0.00 -0.30 1.25 0.00 -1.46 -2.39 119.26 116.80 1a91 h ALA 20 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1a91 h ALA 20 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a91 h ALA 20 CO 0.03 -0.07 0.25 0.00 0.00 0.00 0.00 179.25 179.46 1a91 h ALA 21 N 0.14 2.14 0.07 0.00 0.00 -1.55 0.98 119.26 121.03 1a91 h ALA 21 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1a91 h ALA 21 Cb 0.85 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1a91 h ALA 21 CO 0.00 -0.41 -1.26 -0.84 0.00 0.00 0.00 179.25 176.75 1a91 h ILE 22 N 0.00 1.45 -0.38 0.00 -0.00 -1.60 -2.53 117.51 114.45 1a91 h ILE 22 Ca 0.14 -3.11 -0.08 0.00 -0.00 0.00 0.00 64.86 61.81 1a91 h ILE 22 Cb 0.65 2.82 -0.02 0.00 -0.00 0.00 0.00 36.82 40.27 1a91 h ILE 22 CO -0.00 0.87 -0.09 1.23 -0.00 0.00 0.00 178.15 180.16 1a91 h GLY 23 N 2.33 0.70 0.75 0.16 0.00 -0.67 -0.84 103.07 105.50 1a91 h GLY 23 Ca -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1a91 h GLY 23 CO 0.16 0.45 -0.18 0.00 0.00 0.00 0.00 176.54 176.97 1a91 h ALA 24 N 1.31 -0.34 -0.95 3.60 0.00 -0.97 -2.62 119.26 119.28 1a91 h ALA 24 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1a91 h ALA 24 Cb 0.51 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1a91 h ALA 24 CO 0.03 -0.72 0.62 0.00 0.00 0.00 0.00 179.25 179.17 1a91 h ALA 25 N 0.41 1.28 -0.33 0.00 0.00 -0.85 -1.48 119.26 118.28 1a91 h ALA 25 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1a91 h ALA 25 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1a91 h ALA 25 CO -0.06 0.46 -0.34 0.82 0.00 0.00 0.00 179.25 180.13 1a91 h ILE 26 N 1.17 1.28 0.10 0.00 2.04 -1.24 -2.83 117.51 118.03 1a91 h ILE 26 Ca 0.39 -1.49 -0.26 0.00 1.00 0.00 0.00 64.86 64.50 1a91 h ILE 26 Cb 0.06 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1a91 h ILE 26 CO -0.14 0.49 -1.18 1.23 0.00 0.00 0.00 178.15 178.55 1a91 h GLY 27 N 0.95 0.23 1.97 5.37 0.00 -0.91 0.22 103.07 110.91 1a91 h GLY 27 Ca 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1a91 h GLY 27 CO 0.08 0.52 -0.12 -2.22 0.00 0.00 0.00 176.54 174.80 1a91 h ILE 28 N 0.06 1.10 0.05 2.60 2.04 -1.40 0.72 117.51 122.67 1a91 h ILE 28 Ca -0.10 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1a91 h ILE 28 Cb 1.92 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1a91 h ILE 28 CO 0.19 0.13 -0.02 1.23 0.00 0.00 0.00 178.15 179.67 1a91 h GLY 29 N 0.41 -0.07 0.00 5.37 0.00 -1.15 -2.51 103.07 105.13 1a91 h GLY 29 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1a91 h GLY 29 CO 0.02 -0.03 0.00 1.39 0.00 0.00 0.00 176.54 177.92 1a91 n ILE 30 N -4.81 0.00 -0.10 2.60 5.41 0.73 -2.40 119.36 120.80 1a91 n ILE 30 Ca -0.08 1.03 -0.11 0.00 1.00 0.00 0.00 62.75 64.58 1a91 n ILE 30 Cb 0.31 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.29 1a91 n ILE 30 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1a91 h LEU 31 N 0.00 0.48 -0.39 1.39 4.07 -1.06 -1.54 115.31 118.26 1a91 h LEU 31 Ca 0.00 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1a91 h LEU 31 Cb 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1a91 h LEU 31 CO 0.00 0.65 0.00 1.23 -1.08 0.00 0.00 178.44 179.24 1a91 h GLY 32 N 0.30 0.00 1.50 0.83 0.00 -1.36 -1.00 103.07 103.34 1a91 h GLY 32 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.15 1a91 h GLY 32 CO 0.01 0.00 -1.17 -1.33 0.00 0.00 0.00 176.54 174.05 1a91 h GLY 33 N 3.50 0.46 1.56 4.60 0.00 -1.09 -2.87 103.07 109.22 1a91 h GLY 33 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.13 1a91 h GLY 33 CO 0.00 0.88 -0.86 1.70 0.00 0.00 0.00 176.54 178.26 1a91 h LYS 34 N 0.17 0.41 -0.23 4.80 3.11 -1.09 -2.91 116.57 120.83 1a91 h LYS 34 Ca -0.14 -0.40 -0.11 0.00 -2.81 0.00 0.00 60.65 57.20 1a91 h LYS 34 Cb 1.86 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 33.18 1a91 h LYS 34 CO 0.20 1.05 -0.33 0.74 -2.81 0.00 0.00 179.45 178.31 1a91 h PHE 35 N 0.25 0.54 0.00 1.91 -1.00 -1.27 -2.31 116.94 115.06 1a91 h PHE 35 Ca -0.06 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1a91 h PHE 35 Cb 1.47 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.91 1a91 h PHE 35 CO 0.05 0.74 0.00 -0.11 -1.61 0.00 0.00 178.31 177.39 1a91 n LEU 36 N -4.07 0.55 -0.17 1.54 0.00 -1.08 -2.76 117.00 111.01 1a91 n LEU 36 Ca -0.01 0.58 -0.10 0.00 0.00 0.00 0.00 56.01 56.48 1a91 n LEU 36 Cb 0.45 -0.44 0.02 0.00 0.00 0.00 0.00 43.42 43.46 1a91 n LEU 36 CO 0.43 -0.26 0.72 -0.33 0.00 0.00 0.00 177.39 177.95 1a91 h GLU 37 N 0.00 0.99 0.00 1.96 5.08 -1.21 -1.81 114.58 119.59 1a91 h GLU 37 Ca 0.00 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 1a91 h GLU 37 Cb 0.55 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1a91 h GLU 37 CO 0.00 1.06 -0.51 0.78 -1.00 0.00 0.00 179.01 179.35 1a91 h GLY 38 N 0.92 0.00 2.00 -3.84 0.00 -1.58 -3.15 103.07 97.42 1a91 h GLY 38 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1a91 h GLY 38 CO 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.53 1a91 h ALA 39 N 1.49 0.98 0.22 3.60 0.00 -1.30 -3.28 119.26 120.98 1a91 h ALA 39 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1a91 h ALA 39 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1a91 h ALA 39 CO 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.29 1a91 h ALA 40 N 1.93 -0.30 0.00 0.00 0.00 -1.29 -3.34 119.26 116.27 1a91 h ALA 40 Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1a91 h ALA 40 Cb 0.79 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1a91 h ALA 40 CO 0.01 -0.38 -0.85 0.07 0.00 0.00 0.00 179.25 178.11 1a91 h ARG 41 N -0.88 0.00 -7.32 0.00 -0.00 -1.71 -3.44 114.38 101.03 1a91 h ARG 41 Ca -0.03 0.00 -0.47 0.00 -0.00 0.00 0.00 59.98 59.48 1a91 h ARG 41 Cb 0.51 0.00 0.07 0.00 -0.00 0.00 0.00 29.97 30.55 1a91 h ARG 41 CO 0.05 0.85 0.27 -0.65 -0.00 0.00 0.00 179.97 180.48 1a91 s GLN 42 N -3.00 2.50 0.64 0.08 -1.52 -1.24 -5.06 119.66 112.08 1a91 s GLN 42 Ca 0.01 -0.01 -0.15 0.00 -1.95 0.00 0.00 55.36 53.26 1a91 s GLN 42 Cb 0.11 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.74 1a91 s GLN 42 CO 0.80 -1.08 1.10 -1.25 -0.25 0.00 0.00 175.29 174.60 1a91 s PRO 43 N -5.23 2.94 -0.25 2.91 0.04 -1.26 -4.86 135.00 129.29 1a91 s PRO 43 Ca 0.58 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1a91 s PRO 43 Cb -0.11 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1a91 s PRO 43 CO 0.47 -1.13 2.23 -0.40 0.04 0.00 0.00 177.00 178.20 1a91 n ASP 44 N -2.32 6.17 0.00 6.66 5.75 -1.26 -4.29 116.55 127.25 1a91 n ASP 44 Ca 0.10 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 1a91 n ASP 44 Cb 0.52 -1.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1a91 n LEU 45 N 0.80 0.89 -0.02 -2.12 0.00 -1.26 -4.50 117.00 110.79 1a91 n LEU 45 Ca 0.27 0.01 -0.11 0.00 0.00 0.00 0.00 56.01 56.18 1a91 n LEU 45 Cb 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 43.42 43.87 1a91 n LEU 45 CO 0.28 -0.04 0.40 0.40 0.00 0.00 0.00 177.39 178.42 1a91 h ILE 46 N 0.00 1.23 -0.02 1.96 1.08 -2.00 -3.32 117.51 116.44 1a91 h ILE 46 Ca 0.00 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1a91 h ILE 46 Cb 0.00 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1a91 h ILE 46 CO 0.00 0.36 0.00 -0.81 -0.69 0.00 0.00 178.15 177.01 1a91 n PRO 47 N -4.78 1.12 0.10 2.37 -0.04 -1.26 -1.78 135.00 130.74 1a91 n PRO 47 Ca -0.08 -0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.19 1a91 n PRO 47 Cb 0.32 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1a91 n PRO 47 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a91 h LEU 48 N 0.39 0.00 -0.44 1.53 7.12 -1.79 -3.05 115.31 119.07 1a91 h LEU 48 Ca 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.84 1a91 h LEU 48 Cb 0.08 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 1a91 h LEU 48 CO 0.00 0.70 -0.62 0.17 -0.13 0.00 0.00 178.44 178.56 1a91 h LEU 49 N 0.00 0.63 -0.63 2.25 8.10 -1.45 -1.85 115.31 122.37 1a91 h LEU 49 Ca -0.03 -0.37 -0.15 0.00 0.11 0.00 0.00 57.88 57.44 1a91 h LEU 49 Cb 1.56 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.59 1a91 h LEU 49 CO 0.09 1.10 -0.63 0.08 -4.11 0.00 0.00 178.44 174.97 1a91 h ARG 50 N 0.41 0.22 -0.62 0.17 -0.00 -1.64 -3.03 114.38 109.89 1a91 h ARG 50 Ca -0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 59.98 59.79 1a91 h ARG 50 Cb 1.18 0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 31.15 1a91 h ARG 50 CO 0.12 0.77 0.28 1.15 -0.00 0.00 0.00 179.97 182.29 1a91 h THR 51 N 0.16 1.22 -0.38 0.08 2.02 -1.39 -2.89 112.91 111.74 1a91 h THR 51 Ca -0.01 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1a91 h THR 51 Cb 1.14 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1a91 h THR 51 CO 0.10 0.27 0.12 0.06 0.37 0.00 0.00 175.52 176.44 1a91 h GLN 52 N 0.86 0.58 -0.75 6.66 3.07 -1.37 -2.11 115.11 122.06 1a91 h GLN 52 Ca 0.21 -0.12 0.21 0.00 0.09 0.00 0.00 58.65 59.03 1a91 h GLN 52 Cb 0.16 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 1a91 h GLN 52 CO -0.02 0.59 0.53 0.35 0.09 0.00 0.00 178.83 180.37 1a91 h PHE 53 N 0.46 0.09 0.00 0.06 3.57 -1.46 -0.77 116.94 118.89 1a91 h PHE 53 Ca 0.12 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 1a91 h PHE 53 Cb 0.24 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1a91 h PHE 53 CO 0.01 0.03 -0.78 0.74 -2.23 0.00 0.00 178.31 176.08 1a91 h PHE 54 N 0.07 0.00 0.00 0.41 -1.00 -1.17 0.11 116.94 115.36 1a91 h PHE 54 Ca 0.36 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 61.01 1a91 h PHE 54 Cb 1.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.87 1a91 h PHE 54 CO -0.00 0.78 -0.63 -0.84 -1.61 0.00 0.00 178.31 176.01 1a91 h ILE 55 N 0.00 1.36 -0.04 -0.55 3.07 -0.85 -3.04 117.51 117.47 1a91 h ILE 55 Ca -0.01 -2.22 -0.20 0.00 1.55 0.00 0.00 64.86 63.98 1a91 h ILE 55 Cb 1.51 2.22 -0.00 0.00 -0.27 0.00 0.00 36.82 40.28 1a91 h ILE 55 CO 0.10 0.62 -0.84 0.58 -1.05 0.00 0.00 178.15 177.56 1a91 h VAL 56 N 0.00 1.40 -0.66 0.16 2.07 -1.43 -2.19 116.25 115.61 1a91 h VAL 56 Ca -0.01 -2.33 0.13 0.00 0.82 0.00 0.00 66.70 65.32 1a91 h VAL 56 Cb 1.17 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 1a91 h VAL 56 CO 0.08 0.69 0.45 -0.03 0.02 0.00 0.00 177.57 178.78 1a91 h MET 57 N 0.24 0.32 0.03 1.57 1.85 -0.88 -1.20 114.93 116.86 1a91 h MET 57 Ca -0.05 -0.02 -0.26 0.00 -0.61 0.00 0.00 59.70 58.76 1a91 h MET 57 Cb 1.44 -0.07 0.02 0.00 0.43 0.00 0.00 31.60 33.42 1a91 h MET 57 CO 0.14 0.21 -1.06 0.78 -0.40 0.00 0.00 176.91 176.58 1a91 h GLY 58 N 0.33 0.64 1.55 1.39 0.00 -1.33 -2.98 103.07 102.67 1a91 h GLY 58 Ca 0.32 -1.17 -0.11 0.00 0.00 0.00 0.00 47.33 46.36 1a91 h GLY 58 CO -0.08 1.04 -0.34 1.41 0.00 0.00 0.00 176.54 178.57 1a91 h LEU 59 N 0.30 0.52 -0.35 3.11 3.38 -0.83 -2.74 115.31 118.70 1a91 h LEU 59 Ca -0.12 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1a91 h LEU 59 Cb 1.71 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1a91 h LEU 59 CO 0.20 0.83 -0.49 1.62 0.09 0.00 0.00 178.44 180.68 1a91 h VAL 60 N 0.43 0.93 -0.20 1.22 3.04 -1.35 -2.46 116.25 117.86 1a91 h VAL 60 Ca 0.05 -2.04 -0.17 0.00 -1.01 0.00 0.00 66.70 63.53 1a91 h VAL 60 Cb 0.79 2.27 -0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1a91 h VAL 60 CO 0.06 0.48 -0.58 -0.78 -1.01 0.00 0.00 177.57 175.75 1a91 h ASP 61 N 0.00 0.70 1.28 3.17 3.58 -1.32 -3.23 116.42 120.58 1a91 h ASP 61 Ca -0.00 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 1a91 h ASP 61 Cb 1.23 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 1a91 h ASP 61 CO 0.06 1.12 -0.74 0.00 -2.88 0.00 0.00 179.24 176.81 1a91 h ALA 62 N 0.89 0.66 -0.72 -0.78 0.00 -1.52 -3.40 119.26 114.39 1a91 h ALA 62 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1a91 h ALA 62 Cb 1.14 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1a91 h ALA 62 CO 0.11 0.12 0.17 0.82 0.00 0.00 0.00 179.25 180.47 1a91 h ILE 63 N 0.00 0.53 -0.00 0.00 1.08 -1.45 -2.13 117.51 115.53 1a91 h ILE 63 Ca -0.02 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1a91 h ILE 63 Cb 1.08 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1a91 h ILE 63 CO 0.01 0.05 -0.23 -0.81 -0.69 0.00 0.00 178.15 176.48 1a91 n PRO 64 N -5.16 0.35 -0.01 2.37 -0.04 -1.26 -2.54 135.00 128.72 1a91 n PRO 64 Ca 0.14 -0.15 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 1a91 n PRO 64 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1a91 n PRO 64 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1a91 n MET 65 N -1.19 0.74 0.08 0.54 2.81 -1.09 -2.90 117.12 116.12 1a91 n MET 65 Ca 0.10 0.26 -0.06 0.00 -1.81 0.00 0.00 57.70 56.19 1a91 n MET 65 Cb 0.32 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 1a91 n MET 65 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1a91 h ILE 66 N 0.02 1.62 0.01 2.02 6.09 -1.34 0.94 117.51 126.86 1a91 h ILE 66 Ca -0.44 -3.01 -0.19 0.00 -1.37 0.00 0.00 64.86 59.85 1a91 h ILE 66 Cb 1.99 2.64 -0.02 0.00 0.47 0.00 0.00 36.82 41.91 1a91 h ILE 66 CO 0.06 0.86 -0.87 0.00 -3.07 0.00 0.00 178.15 175.13 1a91 h ALA 67 N 1.06 0.56 0.00 0.18 0.00 -1.67 -1.97 119.26 117.43 1a91 h ALA 67 Ca -0.02 -0.75 -0.16 0.00 0.00 0.00 0.00 54.91 53.97 1a91 h ALA 67 Cb 1.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1a91 h ALA 67 CO 0.12 1.00 -0.78 0.28 0.00 0.00 0.00 179.25 179.87 1a91 h VAL 68 N 0.04 1.43 0.00 0.00 2.07 -1.39 -2.30 116.25 116.10 1a91 h VAL 68 Ca -0.03 -2.79 -0.04 0.00 0.82 0.00 0.00 66.70 64.67 1a91 h VAL 68 Cb 1.51 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 1a91 h VAL 68 CO 0.12 0.76 -0.17 1.23 0.02 0.00 0.00 177.57 179.53 1a91 h GLY 69 N 2.81 0.00 1.61 2.17 0.00 -0.75 -0.55 103.07 108.36 1a91 h GLY 69 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1a91 h GLY 69 CO 0.10 0.00 -0.83 -2.00 0.00 0.00 0.00 176.54 173.81 1a91 h LEU 70 N 0.00 0.46 -0.54 3.11 6.46 -1.34 -2.00 115.31 121.46 1a91 h LEU 70 Ca -0.00 -0.34 -0.16 0.00 -0.12 0.00 0.00 57.88 57.26 1a91 h LEU 70 Cb 1.03 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1a91 h LEU 70 CO 0.02 1.11 -0.57 1.23 -0.62 0.00 0.00 178.44 179.61 1a91 h GLY 71 N 1.36 0.54 2.00 3.75 0.00 -0.90 -1.96 103.07 107.86 1a91 h GLY 71 Ca -0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 1a91 h GLY 71 CO 0.14 0.58 -0.40 1.41 0.00 0.00 0.00 176.54 178.26 1a91 h LEU 72 N 0.38 0.00 0.26 3.11 3.38 -1.14 -2.82 115.31 118.47 1a91 h LEU 72 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1a91 h LEU 72 Cb 1.10 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.89 1a91 h LEU 72 CO 0.10 0.40 -1.48 0.22 0.09 0.00 0.00 178.44 177.77 1a91 h TYR 73 N 0.00 0.99 0.00 1.13 3.20 -1.07 -2.72 116.97 118.50 1a91 h TYR 73 Ca -0.00 -0.72 -0.09 0.00 3.14 0.00 0.00 58.73 61.05 1a91 h TYR 73 Cb 1.00 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1a91 h TYR 73 CO 0.00 1.56 -0.44 0.28 -1.64 0.00 0.00 178.16 177.92 1a91 h VAL 74 N 0.15 0.93 0.00 1.81 2.07 -1.43 -2.47 116.25 117.32 1a91 h VAL 74 Ca -0.26 -1.80 -0.14 0.00 0.82 0.00 0.00 66.70 65.32 1a91 h VAL 74 Cb 2.17 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 34.02 1a91 h VAL 74 CO 0.28 0.44 -0.66 -0.03 0.02 0.00 0.00 177.57 177.62 1a91 h MET 75 N 0.00 0.00 -0.10 1.57 -1.53 -1.51 -2.57 114.93 110.79 1a91 h MET 75 Ca -0.00 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.11 1a91 h MET 75 Cb 1.06 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.10 1a91 h MET 75 CO 0.06 0.66 -0.58 0.35 0.14 0.00 0.00 176.91 177.54 1a91 h PHE 76 N 0.00 0.41 0.00 1.39 3.57 -1.28 -2.55 116.94 118.48 1a91 h PHE 76 Ca -0.01 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1a91 h PHE 76 Cb 1.31 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1a91 h PHE 76 CO 0.00 0.82 -0.21 0.00 -2.23 0.00 0.00 178.31 176.69 1a91 h ALA 77 N 1.14 1.02 0.05 2.41 0.00 -1.04 -3.00 119.26 119.85 1a91 h ALA 77 Ca -0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 1a91 h ALA 77 Cb 1.09 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1a91 h ALA 77 CO 0.09 0.27 -2.10 1.33 0.00 0.00 0.00 179.25 178.84 1a91 n VAL 78 N -3.37 1.62 1.50 0.00 0.24 -1.13 -5.10 118.33 112.10 1a91 n VAL 78 Ca 0.00 -0.70 0.12 0.00 -2.04 0.00 0.00 64.34 61.73 1a91 n VAL 78 Cb 0.43 -1.33 0.71 0.00 -1.47 0.00 0.00 33.84 32.18 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69