#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 0.00 0.03 0.03 4.11 -1.99 -1.72 114.58 115.04 1a91 h GLU 2 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 1a91 h GLU 2 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1a91 h GLU 2 CO 0.00 0.40 -1.80 0.09 0.07 0.00 0.00 179.01 177.77 1a91 n ASN 3 N -3.77 1.16 -0.13 3.06 3.02 -1.26 -2.77 115.26 114.57 1a91 n ASN 3 Ca -0.01 0.35 0.10 0.00 -0.03 0.00 0.00 54.58 54.99 1a91 n ASN 3 Cb 0.47 -0.24 0.44 0.00 -0.61 0.00 0.00 39.78 39.85 1a91 n ASN 3 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1a91 h LEU 4 N 0.02 0.49 -0.10 3.41 6.46 -1.95 -0.91 115.31 122.72 1a91 h LEU 4 Ca -0.33 0.01 -0.24 0.00 -0.12 0.00 0.00 57.88 57.20 1a91 h LEU 4 Cb 2.02 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 41.87 1a91 h LEU 4 CO 0.08 0.30 -0.98 -1.13 -0.62 0.00 0.00 178.44 176.08 1a91 h ASN 5 N 0.55 0.69 0.21 1.25 -0.73 -1.33 -0.98 115.58 115.24 1a91 h ASN 5 Ca 0.30 -0.55 -0.07 0.00 1.87 0.00 0.00 56.30 57.86 1a91 h ASN 5 Cb 0.47 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1a91 h ASN 5 CO -0.10 1.35 -0.27 0.24 -0.37 0.00 0.00 177.43 178.29 1a91 h MET 6 N 0.30 0.10 -0.17 6.67 2.86 -1.33 -1.18 114.93 122.18 1a91 h MET 6 Ca -0.10 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.33 1a91 h MET 6 Cb 1.63 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.27 1a91 h MET 6 CO 0.18 0.37 -0.62 0.22 1.06 0.00 0.00 176.91 178.12 1a91 h ASP 7 N 0.09 0.68 1.11 1.22 3.58 -0.77 -1.37 116.42 120.96 1a91 h ASP 7 Ca 0.01 -0.39 -0.18 0.00 0.42 0.00 0.00 57.03 56.89 1a91 h ASP 7 Cb 0.53 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1a91 h ASP 7 CO 0.04 1.13 -0.90 -0.07 -2.88 0.00 0.00 179.24 176.56 1a91 h LEU 8 N 0.44 0.00 -0.04 2.28 -0.00 -1.00 -1.41 115.31 115.59 1a91 h LEU 8 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 1a91 h LEU 8 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 1a91 h LEU 8 CO 0.12 0.84 -0.70 -0.07 -0.00 0.00 0.00 178.44 178.63 1a91 h LEU 9 N 0.00 0.00 -0.28 1.67 3.38 -1.22 -0.69 115.31 118.17 1a91 h LEU 9 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1a91 h LEU 9 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1a91 h LEU 9 CO 0.11 0.70 -0.24 1.88 0.09 0.00 0.00 178.44 180.98 1a91 h TYR 10 N 0.00 0.79 0.00 1.13 0.05 -1.23 -3.10 116.97 114.60 1a91 h TYR 10 Ca -0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 1a91 h TYR 10 Cb 1.52 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 39.09 1a91 h TYR 10 CO 0.00 0.95 -0.12 1.98 -1.05 0.00 0.00 178.16 179.92 1a91 h MET 11 N 0.40 0.00 0.41 4.88 4.05 -1.19 -2.34 114.93 121.14 1a91 h MET 11 Ca 0.05 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1a91 h MET 11 Cb 0.79 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1a91 h MET 11 CO 0.06 0.12 -0.20 0.00 0.23 0.00 0.00 176.91 177.12 1a91 h ALA 12 N 1.88 -0.56 0.00 0.39 0.00 -1.05 -2.14 119.26 117.79 1a91 h ALA 12 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a91 h ALA 12 Cb 0.40 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a91 h ALA 12 CO 0.02 -0.68 0.04 0.00 0.00 0.00 0.00 179.25 178.63 1a91 h ALA 13 N -0.39 1.03 0.00 0.00 0.00 -1.50 -0.84 119.26 117.56 1a91 h ALA 13 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1a91 h ALA 13 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1a91 h ALA 13 CO 0.09 -0.03 -1.37 0.00 0.00 0.00 0.00 179.25 177.94 1a91 h ALA 14 N 1.91 0.58 0.18 0.00 0.00 -1.01 -1.30 119.26 119.63 1a91 h ALA 14 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 54.91 53.40 1a91 h ALA 14 Cb 0.07 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a91 h ALA 14 CO 0.00 1.42 -1.38 0.28 0.00 0.00 0.00 179.25 179.57 1a91 h VAL 15 N 0.00 1.36 0.00 0.00 2.07 -1.04 -2.90 116.25 115.75 1a91 h VAL 15 Ca -0.15 -2.88 -0.01 0.00 0.82 0.00 0.00 66.70 64.48 1a91 h VAL 15 Cb 1.89 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 34.63 1a91 h VAL 15 CO 0.10 0.85 -0.05 0.24 0.02 0.00 0.00 177.57 178.73 1a91 h MET 16 N 0.11 0.00 0.00 1.57 2.86 -1.22 -2.72 114.93 115.52 1a91 h MET 16 Ca -0.20 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 1a91 h MET 16 Cb 2.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.71 1a91 h MET 16 CO 0.23 0.88 -0.56 0.52 1.06 0.00 0.00 176.91 179.04 1a91 h MET 17 N -1.00 0.00 -0.14 1.72 2.07 -1.43 -2.41 114.93 113.75 1a91 h MET 17 Ca -0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1a91 h MET 17 Cb 0.90 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.62 1a91 h MET 17 CO -0.01 0.48 0.04 0.78 1.07 0.00 0.00 176.91 179.26 1a91 h GLY 18 N 3.52 0.24 0.92 8.32 0.00 -1.63 -3.09 103.07 111.36 1a91 h GLY 18 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1a91 h GLY 18 CO 0.06 0.14 0.10 -2.00 0.00 0.00 0.00 176.54 174.85 1a91 h LEU 19 N 0.03 0.54 0.15 3.11 6.46 -1.44 -3.12 115.31 121.04 1a91 h LEU 19 Ca 0.04 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1a91 h LEU 19 Cb 0.25 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1a91 h LEU 19 CO 0.00 0.61 -0.07 0.00 -0.62 0.00 0.00 178.44 178.36 1a91 h ALA 20 N 0.95 -0.22 -0.09 1.25 0.00 -1.45 -1.80 119.26 117.89 1a91 h ALA 20 Ca 0.12 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1a91 h ALA 20 Cb 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a91 h ALA 20 CO -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 179.25 179.24 1a91 h ALA 21 N -1.18 1.49 0.09 0.00 0.00 -1.71 -0.65 119.26 117.31 1a91 h ALA 21 Ca -0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1a91 h ALA 21 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a91 h ALA 21 CO 0.03 -0.24 -1.30 -0.84 0.00 0.00 0.00 179.25 176.90 1a91 h ILE 22 N 0.00 1.41 -0.57 0.00 -0.00 -1.61 -2.71 117.51 114.02 1a91 h ILE 22 Ca 0.04 -3.05 -0.03 0.00 -0.00 0.00 0.00 64.86 61.83 1a91 h ILE 22 Cb 0.43 2.84 -0.03 0.00 -0.00 0.00 0.00 36.82 40.07 1a91 h ILE 22 CO -0.00 0.87 0.23 1.23 -0.00 0.00 0.00 178.15 180.48 1a91 h GLY 23 N 2.03 0.89 0.15 0.16 0.00 -0.24 -1.21 103.07 104.84 1a91 h GLY 23 Ca -0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1a91 h GLY 23 CO 0.17 0.42 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 1a91 h ALA 24 N 1.44 -0.89 -0.01 3.60 0.00 -1.38 -3.25 119.26 118.77 1a91 h ALA 24 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1a91 h ALA 24 Cb 0.16 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a91 h ALA 24 CO -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 179.25 178.35 1a91 h ALA 25 N -1.58 1.99 0.09 0.00 0.00 -0.92 -0.36 119.26 118.49 1a91 h ALA 25 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a91 h ALA 25 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a91 h ALA 25 CO -0.01 -0.02 -0.04 0.82 0.00 0.00 0.00 179.25 180.00 1a91 h ILE 26 N 0.00 1.16 0.10 0.00 2.04 -1.45 -2.38 117.51 116.97 1a91 h ILE 26 Ca 0.01 -1.15 -0.28 0.00 1.00 0.00 0.00 64.86 64.45 1a91 h ILE 26 Cb 0.03 1.86 0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1a91 h ILE 26 CO -0.00 0.27 -1.18 1.23 0.00 0.00 0.00 178.15 178.47 1a91 h GLY 27 N -0.67 0.53 1.95 5.37 0.00 -1.13 0.11 103.07 109.23 1a91 h GLY 27 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.19 1a91 h GLY 27 CO 0.02 0.99 0.00 0.29 0.00 0.00 0.00 176.54 177.84 1a91 n ILE 28 N -3.71 0.34 -0.03 2.60 -5.35 -0.61 0.03 119.36 112.63 1a91 n ILE 28 Ca -0.11 0.09 -0.12 0.00 -0.27 0.00 0.00 62.75 62.33 1a91 n ILE 28 Cb 0.96 -0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.08 1a91 n ILE 28 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1a91 h GLY 29 N 4.10 -0.04 0.00 3.28 0.00 -1.05 -2.80 103.07 106.56 1a91 h GLY 29 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1a91 h GLY 29 CO 0.00 -0.01 0.00 1.39 0.00 0.00 0.00 176.54 177.92 1a91 n ILE 30 N -4.75 0.00 -0.19 2.60 5.41 0.36 -2.01 119.36 120.77 1a91 n ILE 30 Ca -0.09 1.17 -0.07 0.00 1.00 0.00 0.00 62.75 64.76 1a91 n ILE 30 Cb 0.35 -2.14 0.08 0.00 -0.71 0.00 0.00 39.64 37.22 1a91 n ILE 30 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1a91 h LEU 31 N 0.00 0.96 0.00 1.39 6.46 -0.63 -1.15 115.31 122.33 1a91 h LEU 31 Ca 0.00 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1a91 h LEU 31 Cb 0.00 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.67 1a91 h LEU 31 CO 0.00 0.98 -0.03 1.23 -0.62 0.00 0.00 178.44 180.00 1a91 h GLY 32 N 1.02 0.00 1.40 3.75 0.00 -1.52 -0.89 103.07 106.83 1a91 h GLY 32 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.20 1a91 h GLY 32 CO 0.02 0.00 -1.40 -1.33 0.00 0.00 0.00 176.54 173.83 1a91 h GLY 33 N 4.03 0.49 2.00 4.60 0.00 -1.02 -3.21 103.07 109.95 1a91 h GLY 33 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.09 1a91 h GLY 33 CO 0.00 1.09 0.00 0.50 0.00 0.00 0.00 176.54 178.13 1a91 h LYS 34 N 0.12 0.00 -0.14 4.80 1.57 -1.21 -3.02 116.57 118.68 1a91 h LYS 34 Ca -0.21 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1a91 h LYS 34 Cb 2.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.39 1a91 h LYS 34 CO 0.24 0.00 -0.52 0.35 -0.57 0.00 0.00 179.45 178.95 1a91 h PHE 35 N 0.00 0.47 0.00 -1.35 3.04 -1.20 -2.26 116.94 115.64 1a91 h PHE 35 Ca 0.00 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1a91 h PHE 35 Cb 0.86 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.28 1a91 h PHE 35 CO 0.00 0.82 0.00 1.25 -2.02 0.00 0.00 178.31 178.36 1a91 h LEU 36 N 0.30 0.00 -0.72 0.59 5.85 -1.53 -1.89 115.31 117.90 1a91 h LEU 36 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1a91 h LEU 36 Cb 1.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1a91 h LEU 36 CO 0.09 0.00 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.83 1a91 h GLU 37 N 0.00 0.00 0.00 1.25 5.08 -1.42 -1.78 114.58 117.71 1a91 h GLU 37 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1a91 h GLU 37 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1a91 h GLU 37 CO 0.00 0.03 -0.38 0.78 -1.00 0.00 0.00 179.01 178.44 1a91 h GLY 38 N 3.00 0.00 2.00 -3.84 0.00 -0.78 -3.22 103.07 100.23 1a91 h GLY 38 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1a91 h GLY 38 CO 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.96 1a91 h ALA 39 N 1.62 0.72 0.30 3.60 0.00 -0.62 -3.32 119.26 121.57 1a91 h ALA 39 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1a91 h ALA 39 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a91 h ALA 39 CO 0.05 0.73 -0.15 0.00 0.00 0.00 0.00 179.25 179.88 1a91 h ALA 40 N 1.42 -0.41 0.00 0.00 0.00 -1.45 -3.33 119.26 115.49 1a91 h ALA 40 Ca -0.01 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1a91 h ALA 40 Cb 1.30 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1a91 h ALA 40 CO 0.08 -0.44 -0.81 0.07 0.00 0.00 0.00 179.25 178.15 1a91 h ARG 41 N -0.99 0.00 -7.46 0.00 -0.00 -1.76 -3.44 114.38 100.72 1a91 h ARG 41 Ca -0.04 0.00 -0.46 0.00 -0.00 0.00 0.00 59.98 59.48 1a91 h ARG 41 Cb 0.48 0.00 0.11 0.00 -0.00 0.00 0.00 29.97 30.55 1a91 h ARG 41 CO 0.07 0.81 0.29 -0.65 -0.00 0.00 0.00 179.97 180.48 1a91 s GLN 42 N -2.81 1.64 0.54 0.08 -1.52 -1.25 -5.06 119.66 111.29 1a91 s GLN 42 Ca 0.02 -0.38 -0.19 0.00 -1.95 0.00 0.00 55.36 52.86 1a91 s GLN 42 Cb 0.09 -2.07 -0.06 0.00 -0.22 0.00 0.00 33.01 30.75 1a91 s GLN 42 CO 0.79 -1.65 1.10 -1.25 -0.25 0.00 0.00 175.29 174.02 1a91 s PRO 43 N -5.46 3.44 -0.21 2.91 0.04 -1.26 -4.85 135.00 129.61 1a91 s PRO 43 Ca 0.65 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1a91 s PRO 43 Cb -0.08 -2.03 0.20 0.00 0.04 0.00 0.00 34.50 32.63 1a91 s PRO 43 CO 0.48 -0.75 1.73 -0.25 0.04 0.00 0.00 177.00 178.25 1a91 n ASP 44 N -1.34 5.00 0.00 6.66 9.92 -1.25 -4.25 116.55 131.29 1a91 n ASP 44 Ca 0.11 -2.78 0.00 0.00 -0.53 0.00 0.00 54.79 51.59 1a91 n ASP 44 Cb 0.52 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1a91 n ASP 44 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1a91 n LEU 45 N 0.32 0.09 0.07 0.64 -0.00 -1.26 -4.40 117.00 112.47 1a91 n LEU 45 Ca 0.22 0.15 -0.05 0.00 -0.00 0.00 0.00 56.01 56.33 1a91 n LEU 45 Cb 0.71 -0.45 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 1a91 n LEU 45 CO 0.26 -0.45 0.13 0.40 -0.00 0.00 0.00 177.39 177.73 1a91 h ILE 46 N 0.00 0.09 -0.02 1.96 2.04 -2.00 -3.32 117.51 116.25 1a91 h ILE 46 Ca 0.00 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1a91 h ILE 46 Cb 0.00 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1a91 h ILE 46 CO 0.00 0.03 0.00 -0.81 0.00 0.00 0.00 178.15 177.37 1a91 n PRO 47 N -4.95 1.16 0.03 2.37 -0.04 -1.26 -2.09 135.00 130.21 1a91 n PRO 47 Ca -0.04 -0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.15 1a91 n PRO 47 Cb 0.13 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.54 0.00 -0.39 1.53 6.46 -1.77 -1.81 115.31 119.86 1a91 h LEU 48 Ca 0.00 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.58 1a91 h LEU 48 Cb 0.12 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1a91 h LEU 48 CO 0.00 0.77 -0.62 0.17 -0.62 0.00 0.00 178.44 178.14 1a91 h LEU 49 N 0.00 0.73 -0.98 2.25 8.10 -1.57 -3.08 115.31 120.77 1a91 h LEU 49 Ca -0.17 -0.42 -0.06 0.00 0.11 0.00 0.00 57.88 57.33 1a91 h LEU 49 Cb 1.74 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 41.74 1a91 h LEU 49 CO 0.07 1.17 -0.30 -0.09 -4.11 0.00 0.00 178.44 175.18 1a91 h ARG 50 N 0.48 0.00 -0.31 0.17 1.12 -1.44 -2.35 114.38 112.04 1a91 h ARG 50 Ca -0.01 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1a91 h ARG 50 Cb 1.19 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 1a91 h ARG 50 CO 0.12 0.30 0.13 1.15 -3.11 0.00 0.00 179.97 178.56 1a91 h THR 51 N 0.00 1.18 -0.00 0.20 2.02 -1.24 -2.59 112.91 112.47 1a91 h THR 51 Ca -0.00 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1a91 h THR 51 Cb 0.84 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1a91 h THR 51 CO 0.04 0.19 0.00 0.06 0.37 0.00 0.00 175.52 176.18 1a91 h GLN 52 N 0.36 0.01 -1.26 6.66 3.07 -1.43 -2.29 115.11 120.22 1a91 h GLN 52 Ca 0.10 -0.00 0.37 0.00 0.09 0.00 0.00 58.65 59.21 1a91 h GLN 52 Cb 0.17 -0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.64 1a91 h GLN 52 CO -0.01 0.23 0.86 0.35 0.09 0.00 0.00 178.83 180.34 1a91 h PHE 53 N -0.22 0.35 0.08 0.06 3.57 -1.46 -1.03 116.94 118.28 1a91 h PHE 53 Ca 0.00 0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.23 1a91 h PHE 53 Cb 0.22 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 38.89 1a91 h PHE 53 CO 0.00 -0.04 -1.17 0.74 -2.23 0.00 0.00 178.31 175.62 1a91 h PHE 54 N 0.15 0.94 0.00 0.41 -1.00 -1.00 -0.79 116.94 115.64 1a91 h PHE 54 Ca 0.69 -0.57 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 1a91 h PHE 54 Cb 2.28 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 41.74 1a91 h PHE 54 CO -0.00 1.41 -0.30 -0.84 -1.61 0.00 0.00 178.31 176.96 1a91 h ILE 55 N 0.29 0.65 -0.05 -0.55 3.07 -0.91 -2.92 117.51 117.09 1a91 h ILE 55 Ca -0.16 -1.45 -0.22 0.00 1.55 0.00 0.00 64.86 64.58 1a91 h ILE 55 Cb 1.83 1.97 0.01 0.00 -0.27 0.00 0.00 36.82 40.35 1a91 h ILE 55 CO 0.22 0.30 -0.89 0.58 -1.05 0.00 0.00 178.15 177.31 1a91 h VAL 56 N 0.00 1.35 -0.64 0.16 2.07 -1.42 -1.77 116.25 116.01 1a91 h VAL 56 Ca -0.00 -2.25 0.13 0.00 0.82 0.00 0.00 66.70 65.40 1a91 h VAL 56 Cb 0.94 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1a91 h VAL 56 CO 0.04 0.68 0.44 -0.03 0.02 0.00 0.00 177.57 178.72 1a91 h MET 57 N 0.33 0.30 -0.00 1.57 1.85 -1.00 -1.59 114.93 116.39 1a91 h MET 57 Ca -0.07 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1a91 h MET 57 Cb 1.51 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.47 1a91 h MET 57 CO 0.16 0.20 -0.32 0.41 -0.40 0.00 0.00 176.91 176.96 1a91 n GLY 58 N -1.55 -1.26 0.14 1.39 0.00 -0.86 -2.85 105.19 100.20 1a91 n GLY 58 Ca 0.12 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1a91 n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a91 h LEU 59 N 0.11 0.00 -0.35 0.99 3.38 -0.45 -2.49 115.31 116.50 1a91 h LEU 59 Ca 0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1a91 h LEU 59 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1a91 h LEU 59 CO 0.00 0.01 -0.83 0.58 0.09 0.00 0.00 178.44 178.30 1a91 h VAL 60 N 0.00 1.59 0.00 1.22 2.07 -1.33 -2.81 116.25 116.99 1a91 h VAL 60 Ca 0.00 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1a91 h VAL 60 Cb 0.84 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1a91 h VAL 60 CO 0.00 0.81 0.00 -0.78 0.02 0.00 0.00 177.57 177.62 1a91 h ASP 61 N 0.00 0.00 1.11 0.57 3.58 -1.50 -2.99 116.42 117.19 1a91 h ASP 61 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1a91 h ASP 61 Cb 1.46 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 1a91 h ASP 61 CO 0.11 0.00 -0.94 0.00 -2.88 0.00 0.00 179.24 175.53 1a91 h ALA 62 N 2.34 0.66 -0.51 -0.78 0.00 -1.36 -3.38 119.26 116.24 1a91 h ALA 62 Ca 0.00 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1a91 h ALA 62 Cb 0.72 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1a91 h ALA 62 CO 0.00 0.59 -0.14 0.82 0.00 0.00 0.00 179.25 180.53 1a91 h ILE 63 N 0.00 0.48 -0.01 0.00 1.08 -1.34 -2.85 117.51 114.87 1a91 h ILE 63 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1a91 h ILE 63 Cb 1.37 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1a91 h ILE 63 CO 0.04 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.69 1a91 n PRO 64 N -5.37 1.10 0.28 2.37 -0.04 -1.26 -1.91 135.00 130.16 1a91 n PRO 64 Ca 0.05 -0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 1a91 n PRO 64 Cb 0.27 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1a91 n PRO 64 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1a91 h MET 65 N 0.34 -0.72 0.17 0.54 -1.53 -1.74 -3.12 114.93 108.87 1a91 h MET 65 Ca 0.00 0.05 -0.33 0.00 -3.44 0.00 0.00 59.70 55.98 1a91 h MET 65 Cb 0.07 0.16 0.01 0.00 -0.55 0.00 0.00 31.60 31.29 1a91 h MET 65 CO 0.00 -0.44 -1.62 0.82 0.14 0.00 0.00 176.91 175.81 1a91 h ILE 66 N -1.15 1.08 0.00 1.77 5.03 -1.55 -0.80 117.51 121.90 1a91 h ILE 66 Ca -0.08 -2.66 -0.10 0.00 -0.12 0.00 0.00 64.86 61.89 1a91 h ILE 66 Cb 0.61 2.81 -0.01 0.00 -3.03 0.00 0.00 36.82 37.19 1a91 h ILE 66 CO 0.13 0.84 -0.50 0.00 -0.68 0.00 0.00 178.15 177.94 1a91 h ALA 67 N 0.28 1.01 0.00 1.87 0.00 -1.57 0.41 119.26 121.25 1a91 h ALA 67 Ca -0.29 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 53.98 1a91 h ALA 67 Cb 2.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1a91 h ALA 67 CO 0.19 0.62 -1.14 0.28 0.00 0.00 0.00 179.25 179.19 1a91 h VAL 68 N 0.00 1.01 0.00 0.00 2.07 -1.58 -3.10 116.25 114.65 1a91 h VAL 68 Ca -0.00 -2.62 -0.00 0.00 0.82 0.00 0.00 66.70 64.89 1a91 h VAL 68 Cb 0.98 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1a91 h VAL 68 CO 0.06 0.58 -0.00 1.23 0.02 0.00 0.00 177.57 179.46 1a91 h GLY 69 N 3.41 0.00 1.08 2.17 0.00 -0.51 -2.00 103.07 107.22 1a91 h GLY 69 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 1a91 h GLY 69 CO 0.08 0.00 -0.95 -2.00 0.00 0.00 0.00 176.54 173.68 1a91 h LEU 70 N 0.00 0.79 -0.71 3.11 6.46 -1.00 -0.67 115.31 123.29 1a91 h LEU 70 Ca -0.00 -0.76 -0.14 0.00 -0.12 0.00 0.00 57.88 56.86 1a91 h LEU 70 Cb 0.82 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1a91 h LEU 70 CO 0.00 1.46 -0.52 1.23 -0.62 0.00 0.00 178.44 179.99 1a91 h GLY 71 N 0.22 0.37 2.00 3.75 0.00 -1.45 -1.87 103.07 106.09 1a91 h GLY 71 Ca -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1a91 h GLY 71 CO 0.19 0.37 -0.20 1.41 0.00 0.00 0.00 176.54 178.31 1a91 h LEU 72 N 0.26 0.00 0.17 3.11 3.38 -1.41 -2.90 115.31 117.92 1a91 h LEU 72 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1a91 h LEU 72 Cb 1.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.76 1a91 h LEU 72 CO 0.09 0.20 -1.34 0.22 0.09 0.00 0.00 178.44 177.69 1a91 h TYR 73 N 0.00 0.65 -0.02 1.13 3.20 -0.67 -2.13 116.97 119.13 1a91 h TYR 73 Ca -0.00 -0.47 -0.08 0.00 3.14 0.00 0.00 58.73 61.31 1a91 h TYR 73 Cb 1.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1a91 h TYR 73 CO 0.00 1.38 -0.36 0.28 -1.64 0.00 0.00 178.16 177.82 1a91 h VAL 74 N 0.10 1.27 0.02 1.81 2.07 -1.41 -2.12 116.25 117.98 1a91 h VAL 74 Ca -0.18 -1.27 -0.22 0.00 0.82 0.00 0.00 66.70 65.85 1a91 h VAL 74 Cb 2.04 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1a91 h VAL 74 CO 0.23 0.37 -0.97 -0.03 0.02 0.00 0.00 177.57 177.18 1a91 h MET 75 N 0.03 0.32 -0.59 1.57 1.85 -1.46 -2.91 114.93 113.74 1a91 h MET 75 Ca 0.00 -0.37 -0.02 0.00 -0.61 0.00 0.00 59.70 58.69 1a91 h MET 75 Cb 0.66 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.77 1a91 h MET 75 CO 0.05 1.08 0.27 0.35 -0.40 0.00 0.00 176.91 178.25 1a91 h PHE 76 N 0.17 0.83 0.00 1.39 3.57 -1.19 -1.83 116.94 119.87 1a91 h PHE 76 Ca -0.08 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1a91 h PHE 76 Cb 1.62 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 1a91 h PHE 76 CO 0.05 0.62 -0.17 0.00 -2.23 0.00 0.00 178.31 176.58 1a91 h ALA 77 N 1.46 0.99 -2.15 2.41 0.00 -1.19 -3.36 119.26 117.42 1a91 h ALA 77 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1a91 h ALA 77 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a91 h ALA 77 CO -0.02 0.21 0.00 0.28 0.00 0.00 0.00 179.25 179.71 1a91 n VAL 78 N -3.28 0.00 1.92 0.00 0.31 -1.09 -5.10 118.33 111.08 1a91 n VAL 78 Ca 0.01 0.14 0.16 0.00 -0.01 0.00 0.00 64.34 64.63 1a91 n VAL 78 Cb 0.43 -0.91 0.88 0.00 -0.91 0.00 0.00 33.84 33.32 1a91 n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51