#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 0.77 -0.02 0.03 4.81 -2.02 -1.46 114.58 116.69 1a91 h GLU 2 Ca 0.00 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1a91 h GLU 2 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1a91 h GLU 2 CO 0.00 0.77 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.94 1a91 h ASN 3 N 0.73 0.20 -0.22 1.04 2.35 -2.00 -3.12 115.58 114.56 1a91 h ASN 3 Ca 0.15 -0.72 0.06 0.00 -0.55 0.00 0.00 56.30 55.24 1a91 h ASN 3 Cb 0.42 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1a91 h ASN 3 CO 0.02 0.89 0.23 -0.07 -1.65 0.00 0.00 177.43 176.85 1a91 h LEU 4 N -0.47 0.00 -0.01 1.61 3.38 -1.98 -1.87 115.31 115.97 1a91 h LEU 4 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1a91 h LEU 4 Cb 0.91 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1a91 h LEU 4 CO 0.04 0.00 -0.63 -1.13 0.09 0.00 0.00 178.44 176.81 1a91 h ASN 5 N 0.00 0.58 0.31 -0.43 -0.73 -1.21 -0.49 115.58 113.61 1a91 h ASN 5 Ca 0.10 -0.74 -0.08 0.00 1.87 0.00 0.00 56.30 57.45 1a91 h ASN 5 Cb 0.56 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 1a91 h ASN 5 CO -0.00 1.24 -0.34 0.24 -0.37 0.00 0.00 177.43 178.20 1a91 h MET 6 N -0.03 0.04 -0.17 6.67 2.86 -1.43 -1.91 114.93 120.96 1a91 h MET 6 Ca -0.08 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.38 1a91 h MET 6 Cb 1.33 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 1a91 h MET 6 CO 0.13 0.38 -0.60 0.22 1.06 0.00 0.00 176.91 178.09 1a91 h ASP 7 N 0.04 0.65 0.03 1.22 3.58 -1.23 -2.05 116.42 118.66 1a91 h ASP 7 Ca 0.00 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.08 1a91 h ASP 7 Cb 0.62 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1a91 h ASP 7 CO 0.05 1.10 -0.02 0.25 -2.88 0.00 0.00 179.24 177.74 1a91 h LEU 8 N 0.43 -0.04 -0.97 2.28 7.12 -0.81 -2.47 115.31 120.85 1a91 h LEU 8 Ca -0.00 -0.40 -0.10 0.00 0.13 0.00 0.00 57.88 57.51 1a91 h LEU 8 Cb 1.17 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1a91 h LEU 8 CO 0.11 0.39 -0.47 -0.07 -0.13 0.00 0.00 178.44 178.28 1a91 h LEU 9 N -0.47 0.00 0.22 2.25 3.38 -1.42 -1.65 115.31 117.62 1a91 h LEU 9 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a91 h LEU 9 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1a91 h LEU 9 CO 0.01 0.47 -0.11 1.88 0.09 0.00 0.00 178.44 180.77 1a91 h TYR 10 N 0.00 -0.28 0.00 1.13 0.05 -1.38 -3.19 116.97 113.31 1a91 h TYR 10 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1a91 h TYR 10 Cb 0.91 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1a91 h TYR 10 CO 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 178.16 177.21 1a91 h MET 11 N -0.77 0.00 0.26 4.88 -0.00 -1.40 -2.78 114.93 115.13 1a91 h MET 11 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 1a91 h MET 11 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1a91 h MET 11 CO 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 176.91 176.83 1a91 h ALA 12 N 2.07 -0.35 -0.09 -3.00 0.00 -1.36 -1.81 119.26 114.73 1a91 h ALA 12 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a91 h ALA 12 Cb 0.55 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a91 h ALA 12 CO 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 179.25 178.77 1a91 h ALA 13 N 0.03 1.76 0.00 0.00 0.00 -1.50 -0.41 119.26 119.14 1a91 h ALA 13 Ca -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1a91 h ALA 13 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1a91 h ALA 13 CO 0.06 -0.13 -0.99 0.00 0.00 0.00 0.00 179.25 178.19 1a91 h ALA 14 N 1.91 0.63 0.00 0.00 0.00 -1.28 -0.53 119.26 119.99 1a91 h ALA 14 Ca 0.04 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 1a91 h ALA 14 Cb 0.22 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1a91 h ALA 14 CO -0.00 0.44 -1.22 0.28 0.00 0.00 0.00 179.25 178.75 1a91 h VAL 15 N 0.00 1.45 0.00 0.00 2.07 -1.01 -2.74 116.25 116.01 1a91 h VAL 15 Ca -0.06 -3.20 0.00 0.00 0.82 0.00 0.00 66.70 64.25 1a91 h VAL 15 Cb 1.28 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1a91 h VAL 15 CO 0.03 0.83 0.00 0.23 0.02 0.00 0.00 177.57 178.67 1a91 n MET 16 N -3.26 0.00 0.00 1.57 2.81 -0.19 -3.20 117.12 114.85 1a91 n MET 16 Ca -0.05 0.14 0.15 0.00 -1.81 0.00 0.00 57.70 56.13 1a91 n MET 16 Cb 0.98 -0.72 0.72 0.00 -0.71 0.00 0.00 33.22 33.48 1a91 n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a91 n MET 17 N -0.93 0.49 0.06 0.03 -0.00 -0.21 -2.28 117.12 114.28 1a91 n MET 17 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.70 57.52 1a91 n MET 17 Cb 0.00 -1.50 -0.09 0.00 -0.00 0.00 0.00 33.22 31.63 1a91 n MET 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1a91 h GLY 18 N 4.99 -0.18 0.79 3.17 0.00 -1.56 -3.03 103.07 107.25 1a91 h GLY 18 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1a91 h GLY 18 CO 0.00 -0.07 -0.31 -2.00 0.00 0.00 0.00 176.54 174.17 1a91 h LEU 19 N -0.56 -0.73 0.03 3.11 6.46 -1.42 -3.15 115.31 119.06 1a91 h LEU 19 Ca -0.02 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 1a91 h LEU 19 Cb 0.44 0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1a91 h LEU 19 CO 0.03 -0.39 -0.31 0.00 -0.62 0.00 0.00 178.44 177.15 1a91 h ALA 20 N -0.89 0.00 -0.16 1.25 0.00 -1.65 -3.02 119.26 114.78 1a91 h ALA 20 Ca -0.09 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.35 1a91 h ALA 20 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a91 h ALA 20 CO 0.14 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.72 1a91 h ALA 21 N 0.17 1.72 0.07 0.00 0.00 -1.69 0.14 119.26 119.67 1a91 h ALA 21 Ca -0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1a91 h ALA 21 Cb 1.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1a91 h ALA 21 CO 0.06 -0.28 -1.26 -0.84 0.00 0.00 0.00 179.25 176.93 1a91 h ILE 22 N 0.00 1.44 -0.30 0.00 -0.00 -1.61 -2.55 117.51 114.49 1a91 h ILE 22 Ca 0.08 -3.11 -0.10 0.00 -0.00 0.00 0.00 64.86 61.73 1a91 h ILE 22 Cb 0.48 2.82 -0.01 0.00 -0.00 0.00 0.00 36.82 40.10 1a91 h ILE 22 CO -0.00 0.87 -0.22 1.23 -0.00 0.00 0.00 178.15 180.03 1a91 h GLY 23 N 2.30 0.62 0.75 0.16 0.00 -1.01 -1.71 103.07 104.17 1a91 h GLY 23 Ca -0.13 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.71 1a91 h GLY 23 CO 0.16 0.46 -0.18 0.00 0.00 0.00 0.00 176.54 176.97 1a91 h ALA 24 N 1.26 -0.35 -0.40 3.60 0.00 -0.89 -2.94 119.26 119.53 1a91 h ALA 24 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a91 h ALA 24 Cb 0.66 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1a91 h ALA 24 CO 0.05 -0.73 0.26 0.00 0.00 0.00 0.00 179.25 178.84 1a91 h ALA 25 N 0.40 0.51 0.00 0.00 0.00 -0.92 -1.54 119.26 117.71 1a91 h ALA 25 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a91 h ALA 25 Cb 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a91 h ALA 25 CO -0.06 -0.04 -0.11 -0.84 0.00 0.00 0.00 179.25 178.20 1a91 h ILE 26 N 0.54 0.28 0.02 0.00 3.07 -1.43 -2.82 117.51 117.17 1a91 h ILE 26 Ca 0.15 -0.84 -0.32 0.00 1.55 0.00 0.00 64.86 65.41 1a91 h ILE 26 Cb -0.06 1.66 -0.05 0.00 -0.27 0.00 0.00 36.82 38.11 1a91 h ILE 26 CO -0.04 0.11 -1.85 0.61 -1.05 0.00 0.00 178.15 175.94 1a91 n GLY 27 N 0.14 -0.90 0.35 0.16 0.00 -0.70 -0.28 105.19 103.96 1a91 n GLY 27 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1a91 n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a91 h ILE 28 N 0.01 1.12 0.02 -0.61 2.04 -1.39 -0.51 117.51 118.20 1a91 h ILE 28 Ca -0.34 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1a91 h ILE 28 Cb 2.04 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1a91 h ILE 28 CO 0.07 0.16 -0.01 1.23 0.00 0.00 0.00 178.15 179.61 1a91 h GLY 29 N 0.90 -0.03 0.23 5.37 0.00 -1.43 -2.61 103.07 105.51 1a91 h GLY 29 Ca 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1a91 h GLY 29 CO -0.08 -0.01 -0.11 -2.22 0.00 0.00 0.00 176.54 174.12 1a91 h ILE 30 N -0.84 0.00 0.66 2.60 2.04 -0.60 -2.52 117.51 118.85 1a91 h ILE 30 Ca -0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1a91 h ILE 30 Cb 0.74 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1a91 h ILE 30 CO 0.01 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.77 1a91 h LEU 31 N -0.41 -0.75 -1.47 1.44 4.07 -1.28 -2.16 115.31 114.76 1a91 h LEU 31 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1a91 h LEU 31 Cb 0.24 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1a91 h LEU 31 CO 0.05 -0.40 0.00 1.23 -1.08 0.00 0.00 178.44 178.24 1a91 h GLY 32 N -1.12 0.00 0.84 0.83 0.00 -1.44 0.25 103.07 102.43 1a91 h GLY 32 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 1a91 h GLY 32 CO 0.15 0.00 -0.81 -1.33 0.00 0.00 0.00 176.54 174.55 1a91 h GLY 33 N 1.13 0.47 1.78 4.60 0.00 -1.26 -3.22 103.07 106.56 1a91 h GLY 33 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 47.33 46.15 1a91 h GLY 33 CO 0.00 0.85 -0.95 1.70 0.00 0.00 0.00 176.54 178.14 1a91 h LYS 34 N -0.13 0.19 -0.04 4.80 1.63 -0.72 -3.13 116.57 119.18 1a91 h LYS 34 Ca -0.12 -0.23 -0.17 0.00 -0.85 0.00 0.00 60.65 59.27 1a91 h LYS 34 Cb 1.55 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.25 1a91 h LYS 34 CO 0.16 1.00 -0.73 0.74 -3.45 0.00 0.00 179.45 177.17 1a91 h PHE 35 N 0.09 0.31 0.00 1.91 0.04 -1.11 -2.32 116.94 115.86 1a91 h PHE 35 Ca -0.05 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 1a91 h PHE 35 Cb 1.61 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.71 1a91 h PHE 35 CO 0.03 0.87 -0.09 1.25 -0.60 0.00 0.00 178.31 179.78 1a91 h LEU 36 N 0.15 0.00 -0.08 1.54 5.85 -1.63 -2.35 115.31 118.79 1a91 h LEU 36 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1a91 h LEU 36 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1a91 h LEU 36 CO 0.11 0.09 0.00 -0.62 -0.34 0.00 0.00 178.44 177.68 1a91 n GLU 37 N -3.15 1.05 -0.07 1.25 -0.58 -0.91 -1.61 120.64 116.63 1a91 n GLU 37 Ca 0.02 -0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.57 1a91 n GLU 37 Cb 0.48 -1.36 -0.15 0.00 -0.57 0.00 0.00 31.44 29.85 1a91 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a91 n GLY 38 N 0.88 -0.89 0.21 0.62 0.00 -0.92 -4.48 105.19 100.60 1a91 n GLY 38 Ca 0.17 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1a91 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a91 h ALA 39 N 0.82 0.91 -0.13 4.61 0.00 -0.95 -3.31 119.26 121.21 1a91 h ALA 39 Ca -0.45 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1a91 h ALA 39 Cb 2.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1a91 h ALA 39 CO 0.04 0.23 -0.28 0.00 0.00 0.00 0.00 179.25 179.24 1a91 h ALA 40 N 1.81 0.22 0.00 0.00 0.00 -1.55 -3.18 119.26 116.56 1a91 h ALA 40 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1a91 h ALA 40 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1a91 h ALA 40 CO 0.02 0.22 -0.49 0.07 0.00 0.00 0.00 179.25 179.08 1a91 h ARG 41 N 0.03 0.00 -7.57 0.00 -0.00 -1.83 -3.44 114.38 101.57 1a91 h ARG 41 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 59.98 59.53 1a91 h ARG 41 Cb 0.88 0.00 0.13 0.00 -0.00 0.00 0.00 29.97 30.98 1a91 h ARG 41 CO 0.06 0.49 0.32 -0.65 -0.00 0.00 0.00 179.97 180.19 1a91 s GLN 42 N -3.10 1.14 0.58 0.08 -0.21 -1.20 -5.07 119.66 111.88 1a91 s GLN 42 Ca 0.03 -0.56 -0.17 0.00 0.02 0.00 0.00 55.36 54.69 1a91 s GLN 42 Cb 0.08 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 1a91 s GLN 42 CO 0.73 -2.00 1.07 -1.25 -2.12 0.00 0.00 175.29 171.72 1a91 s PRO 43 N -5.61 3.33 -0.24 2.91 0.04 -1.26 -4.90 135.00 129.28 1a91 s PRO 43 Ca 0.70 1.30 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 1a91 s PRO 43 Cb -0.05 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.64 1a91 s PRO 43 CO 0.50 -0.81 1.92 -0.25 0.04 0.00 0.00 177.00 178.40 1a91 n ASP 44 N -1.83 5.83 0.00 6.66 8.00 -1.25 -4.28 116.55 129.67 1a91 n ASP 44 Ca 0.09 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1a91 n ASP 44 Cb 0.52 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1a91 n LEU 45 N 0.51 0.29 0.02 0.64 -0.00 -1.26 -4.39 117.00 112.81 1a91 n LEU 45 Ca 0.23 0.11 -0.08 0.00 -0.00 0.00 0.00 56.01 56.27 1a91 n LEU 45 Cb 0.61 -0.35 -0.06 0.00 -0.00 0.00 0.00 43.42 43.62 1a91 n LEU 45 CO 0.29 -0.35 0.27 0.40 -0.00 0.00 0.00 177.39 178.00 1a91 h ILE 46 N 0.00 0.70 -0.19 1.96 1.08 -1.99 -3.35 117.51 115.71 1a91 h ILE 46 Ca 0.00 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 1a91 h ILE 46 Cb 0.00 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1a91 h ILE 46 CO 0.00 0.21 0.00 -0.81 -0.69 0.00 0.00 178.15 176.86 1a91 n PRO 47 N -4.86 1.45 0.08 2.37 -0.04 -1.26 -1.73 135.00 131.01 1a91 n PRO 47 Ca -0.06 -0.70 -0.07 0.00 -0.04 0.00 0.00 63.50 62.63 1a91 n PRO 47 Cb 0.23 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.16 0.06 -0.19 1.53 6.46 -1.77 -3.11 115.31 119.45 1a91 h LEU 48 Ca 0.00 -0.06 -0.21 0.00 -0.12 0.00 0.00 57.88 57.49 1a91 h LEU 48 Cb 0.26 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1a91 h LEU 48 CO 0.00 0.98 -0.95 0.17 -0.62 0.00 0.00 178.44 178.02 1a91 h LEU 49 N 0.02 0.33 -0.68 2.25 8.10 -1.49 -2.77 115.31 121.06 1a91 h LEU 49 Ca -0.02 -0.28 -0.14 0.00 0.11 0.00 0.00 57.88 57.54 1a91 h LEU 49 Cb 1.66 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 41.77 1a91 h LEU 49 CO 0.13 1.10 -0.62 0.08 -4.11 0.00 0.00 178.44 175.03 1a91 h ARG 50 N 0.13 0.15 0.00 0.17 -0.00 -1.67 -2.69 114.38 110.47 1a91 h ARG 50 Ca -0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 59.98 59.80 1a91 h ARG 50 Cb 1.60 0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 31.58 1a91 h ARG 50 CO 0.15 0.72 -0.06 1.15 -0.00 0.00 0.00 179.97 181.93 1a91 h THR 51 N 0.11 0.46 0.55 0.08 2.02 -1.44 -1.62 112.91 113.07 1a91 h THR 51 Ca -0.01 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1a91 h THR 51 Cb 1.11 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1a91 h THR 51 CO 0.09 0.06 -0.27 1.56 0.37 0.00 0.00 175.52 177.33 1a91 h GLN 52 N 0.00 -0.71 -1.19 6.66 1.08 -1.19 -2.89 115.11 116.86 1a91 h GLN 52 Ca -0.00 0.05 0.37 0.00 -1.45 0.00 0.00 58.65 57.61 1a91 h GLN 52 Cb 0.18 0.16 -0.12 0.00 -0.05 0.00 0.00 27.48 27.65 1a91 h GLN 52 CO 0.01 -0.47 0.76 0.35 -0.95 0.00 0.00 178.83 178.53 1a91 h PHE 53 N -0.76 0.60 0.10 2.96 3.57 -1.29 -1.28 116.94 120.85 1a91 h PHE 53 Ca -0.08 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.17 1a91 h PHE 53 Cb 0.58 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 39.17 1a91 h PHE 53 CO -0.03 -0.11 -1.18 0.74 -2.23 0.00 0.00 178.31 175.49 1a91 h PHE 54 N 0.21 0.77 0.00 0.41 0.04 -1.44 0.41 116.94 117.34 1a91 h PHE 54 Ca 0.73 -0.49 -0.09 0.00 2.80 0.00 0.00 57.97 60.92 1a91 h PHE 54 Cb 2.12 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 40.19 1a91 h PHE 54 CO -0.00 1.35 -0.44 -0.84 -0.60 0.00 0.00 178.31 177.77 1a91 h ILE 55 N 0.20 0.89 -0.05 -0.55 3.07 -1.08 -3.07 117.51 116.92 1a91 h ILE 55 Ca -0.15 -1.85 -0.24 0.00 1.55 0.00 0.00 64.86 64.17 1a91 h ILE 55 Cb 1.86 2.15 0.01 0.00 -0.27 0.00 0.00 36.82 40.58 1a91 h ILE 55 CO 0.21 0.43 -0.91 0.58 -1.05 0.00 0.00 178.15 177.41 1a91 h VAL 56 N 0.00 1.31 -0.79 0.16 2.07 -1.36 -1.99 116.25 115.66 1a91 h VAL 56 Ca -0.00 -2.19 0.17 0.00 0.82 0.00 0.00 66.70 65.50 1a91 h VAL 56 Cb 1.12 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 1a91 h VAL 56 CO 0.06 0.68 0.53 -0.03 0.02 0.00 0.00 177.57 178.82 1a91 h MET 57 N 0.40 0.33 0.03 1.57 1.85 -0.86 -1.29 114.93 116.95 1a91 h MET 57 Ca -0.09 -0.02 -0.24 0.00 -0.61 0.00 0.00 59.70 58.75 1a91 h MET 57 Cb 1.55 -0.07 0.02 0.00 0.43 0.00 0.00 31.60 33.52 1a91 h MET 57 CO 0.18 0.22 -0.94 0.78 -0.40 0.00 0.00 176.91 176.74 1a91 h GLY 58 N 0.34 0.66 1.81 1.39 0.00 -1.40 -3.21 103.07 102.66 1a91 h GLY 58 Ca 0.39 -1.21 -0.07 0.00 0.00 0.00 0.00 47.33 46.44 1a91 h GLY 58 CO -0.11 1.07 -0.23 1.41 0.00 0.00 0.00 176.54 178.67 1a91 h LEU 59 N 0.20 0.23 -0.36 3.11 3.38 -0.57 -2.34 115.31 118.95 1a91 h LEU 59 Ca -0.13 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1a91 h LEU 59 Cb 1.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1a91 h LEU 59 CO 0.18 0.47 -0.42 -0.37 0.09 0.00 0.00 178.44 178.39 1a91 h VAL 60 N 0.21 0.80 -0.53 1.22 -1.51 -1.40 -2.74 116.25 112.30 1a91 h VAL 60 Ca 0.04 -1.88 -0.12 0.00 -1.23 0.00 0.00 66.70 63.50 1a91 h VAL 60 Cb 0.54 2.21 -0.02 0.00 -2.13 0.00 0.00 31.29 31.89 1a91 h VAL 60 CO 0.04 0.41 -0.14 -0.78 -1.23 0.00 0.00 177.57 175.87 1a91 h ASP 61 N 0.00 1.04 0.94 4.19 3.58 -1.41 -3.26 116.42 121.50 1a91 h ASP 61 Ca -0.00 -0.36 -0.16 0.00 0.42 0.00 0.00 57.03 56.92 1a91 h ASP 61 Cb 1.18 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 1a91 h ASP 61 CO 0.05 1.17 -1.13 0.00 -2.88 0.00 0.00 179.24 176.45 1a91 h ALA 62 N 0.91 0.64 -0.62 -0.78 0.00 -1.56 -3.40 119.26 114.46 1a91 h ALA 62 Ca 0.13 -0.77 0.13 0.00 0.00 0.00 0.00 54.91 54.40 1a91 h ALA 62 Cb 0.72 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1a91 h ALA 62 CO 0.06 0.90 -0.01 0.82 0.00 0.00 0.00 179.25 181.01 1a91 h ILE 63 N 0.00 0.48 -0.00 0.00 1.08 -1.52 -1.07 117.51 116.47 1a91 h ILE 63 Ca -0.11 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1a91 h ILE 63 Cb 1.56 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1a91 h ILE 63 CO 0.06 0.02 -0.19 -0.81 -0.69 0.00 0.00 178.15 176.53 1a91 n PRO 64 N -5.30 0.30 -0.07 2.37 -0.04 -1.26 -2.17 135.00 128.84 1a91 n PRO 64 Ca 0.09 -0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1a91 n PRO 64 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.25 0.67 0.03 0.54 2.81 -1.01 -2.78 117.12 116.12 1a91 n MET 65 Ca 0.10 0.11 -0.09 0.00 -1.81 0.00 0.00 57.70 56.01 1a91 n MET 65 Cb 0.31 -1.63 -0.13 0.00 -0.71 0.00 0.00 33.22 31.06 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 0.00 1.33 0.00 2.02 -0.00 -1.12 -0.33 117.51 119.41 1a91 h ILE 66 Ca -0.44 -3.09 -0.19 0.00 -0.00 0.00 0.00 64.86 61.14 1a91 h ILE 66 Cb 2.15 2.68 -0.03 0.00 -0.00 0.00 0.00 36.82 41.63 1a91 h ILE 66 CO 0.05 0.78 -0.89 0.00 -0.00 0.00 0.00 178.15 178.09 1a91 h ALA 67 N 0.94 0.44 0.00 0.18 0.00 -1.60 -1.31 119.26 117.90 1a91 h ALA 67 Ca -0.14 -0.81 -0.19 0.00 0.00 0.00 0.00 54.91 53.77 1a91 h ALA 67 Cb 1.89 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1a91 h ALA 67 CO 0.12 1.10 -1.03 0.28 0.00 0.00 0.00 179.25 179.71 1a91 h VAL 68 N 0.00 1.26 0.00 0.00 2.07 -1.58 -2.63 116.25 115.37 1a91 h VAL 68 Ca -0.01 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.62 1a91 h VAL 68 Cb 1.68 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1a91 h VAL 68 CO 0.11 0.72 0.00 1.23 0.02 0.00 0.00 177.57 179.65 1a91 h GLY 69 N 3.27 0.00 1.45 2.17 0.00 -1.00 -1.02 103.07 107.94 1a91 h GLY 69 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.00 1a91 h GLY 69 CO 0.10 0.00 -1.09 -2.00 0.00 0.00 0.00 176.54 173.54 1a91 h LEU 70 N 0.00 0.64 -0.45 3.11 6.46 -1.23 -1.95 115.31 121.89 1a91 h LEU 70 Ca 0.00 -0.56 -0.17 0.00 -0.12 0.00 0.00 57.88 57.03 1a91 h LEU 70 Cb 0.81 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1a91 h LEU 70 CO 0.00 1.38 -0.78 1.23 -0.62 0.00 0.00 178.44 179.66 1a91 h GLY 71 N 0.98 0.05 2.00 3.75 0.00 -1.16 -1.69 103.07 107.01 1a91 h GLY 71 Ca -0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 1a91 h GLY 71 CO 0.20 0.08 -0.75 1.41 0.00 0.00 0.00 176.54 177.47 1a91 h LEU 72 N 0.03 0.00 0.14 3.11 3.38 -1.26 -2.63 115.31 118.08 1a91 h LEU 72 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1a91 h LEU 72 Cb 1.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.12 1a91 h LEU 72 CO 0.11 0.75 -1.26 0.22 0.09 0.00 0.00 178.44 178.35 1a91 h TYR 73 N 0.00 0.53 -0.06 1.13 3.20 -1.15 -2.10 116.97 118.51 1a91 h TYR 73 Ca -0.01 -0.38 -0.13 0.00 3.14 0.00 0.00 58.73 61.35 1a91 h TYR 73 Cb 1.47 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 1a91 h TYR 73 CO 0.00 1.30 -0.55 0.28 -1.64 0.00 0.00 178.16 177.55 1a91 h VAL 74 N 0.08 1.37 0.00 1.81 2.07 -1.39 -2.70 116.25 117.49 1a91 h VAL 74 Ca -0.14 -1.87 -0.14 0.00 0.82 0.00 0.00 66.70 65.37 1a91 h VAL 74 Cb 1.99 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1a91 h VAL 74 CO 0.21 0.55 -0.66 -0.03 0.02 0.00 0.00 177.57 177.66 1a91 h MET 75 N 0.15 0.00 -0.40 1.57 1.85 -1.46 -2.68 114.93 113.96 1a91 h MET 75 Ca -0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 1a91 h MET 75 Cb 1.02 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.03 1a91 h MET 75 CO 0.08 0.66 -0.05 0.35 -0.40 0.00 0.00 176.91 177.55 1a91 h PHE 76 N 0.00 0.71 0.00 1.39 3.57 -1.23 -2.02 116.94 119.36 1a91 h PHE 76 Ca -0.01 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 1a91 h PHE 76 Cb 1.28 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1a91 h PHE 76 CO 0.00 0.70 -0.14 0.00 -2.23 0.00 0.00 178.31 176.64 1a91 h ALA 77 N 1.33 0.99 0.09 2.41 0.00 -1.15 -2.94 119.26 119.99 1a91 h ALA 77 Ca 0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1a91 h ALA 77 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a91 h ALA 77 CO 0.02 0.18 -0.96 0.28 0.00 0.00 0.00 179.25 178.77 1a91 h VAL 78 N 0.00 1.31 0.00 0.00 2.07 -1.41 -3.51 116.25 114.70 1a91 h VAL 78 Ca -0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1a91 h VAL 78 Cb 0.74 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1a91 h VAL 78 CO 0.02 0.65 0.00 0.00 0.02 0.00 0.00 177.57 178.26