#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd7 s SER 2 N 0.00 0.07 0.01 1.62 1.04 -1.26 -5.07 113.70 110.12 1pd7 s SER 2 Ca 0.00 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1pd7 s SER 2 Cb 0.00 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1pd7 s SER 2 CO 0.00 -0.13 0.00 0.47 0.98 0.00 0.00 173.24 174.56 1pd7 n ASP 3 N 2.44 0.10 -1.95 7.02 8.00 -1.26 -5.07 116.55 125.84 1pd7 n ASP 3 Ca -0.17 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 1pd7 n ASP 3 Cb 0.58 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pd7 n SER 4 N -2.59 -4.35 -0.15 -2.24 7.64 -1.26 -4.94 113.62 105.73 1pd7 n SER 4 Ca 0.00 -0.19 -0.09 0.00 1.01 0.00 0.00 58.87 59.61 1pd7 n SER 4 Cb 0.00 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 1pd7 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1pd7 h VAL 5 N -0.91 1.21 0.00 0.44 2.07 -1.99 -2.52 116.25 114.55 1pd7 h VAL 5 Ca -0.32 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1pd7 h VAL 5 Cb 1.22 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1pd7 h VAL 5 CO 0.34 0.24 -0.18 1.05 0.02 0.00 0.00 177.57 179.04 1pd7 h GLU 6 N 0.57 0.00 -0.15 1.57 4.11 -1.98 -0.29 114.58 118.40 1pd7 h GLU 6 Ca 0.15 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.43 1pd7 h GLU 6 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1pd7 h GLU 6 CO -0.01 0.18 -0.52 0.35 0.07 0.00 0.00 179.01 179.08 1pd7 h PHE 7 N 0.00 0.54 0.00 2.06 3.04 -1.88 -1.60 116.94 119.10 1pd7 h PHE 7 Ca -0.00 -0.18 -0.10 0.00 3.98 0.00 0.00 57.97 61.66 1pd7 h PHE 7 Cb 0.41 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1pd7 h PHE 7 CO 0.00 0.86 -0.51 -0.91 -2.02 0.00 0.00 178.31 175.74 1pd7 h ASN 8 N 0.34 0.00 -0.08 0.41 2.35 -0.84 0.89 115.58 118.64 1pd7 h ASN 8 Ca 0.01 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1pd7 h ASN 8 Cb 1.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1pd7 h ASN 8 CO 0.09 0.48 -0.29 0.78 -1.65 0.00 0.00 177.43 176.84 1pd7 h ASN 9 N 0.00 0.56 -0.43 5.81 -0.26 -0.99 0.94 115.58 121.21 1pd7 h ASN 9 Ca -0.01 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.47 1pd7 h ASN 9 Cb 1.37 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.46 1pd7 h ASN 9 CO 0.06 0.83 0.05 0.00 -1.06 0.00 0.00 177.43 177.31 1pd7 h ALA 10 N 1.21 0.57 0.35 -0.83 0.00 -0.57 -2.71 119.26 117.28 1pd7 h ALA 10 Ca 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pd7 h ALA 10 Cb 0.75 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pd7 h ALA 10 CO 0.06 0.31 -0.31 0.82 0.00 0.00 0.00 179.25 180.13 1pd7 h ILE 11 N 0.57 0.35 -0.23 0.00 1.08 -0.73 -3.13 117.51 115.43 1pd7 h ILE 11 Ca 0.13 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1pd7 h ILE 11 Cb 0.41 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1pd7 h ILE 11 CO 0.01 0.00 0.15 -1.28 -0.69 0.00 0.00 178.15 176.35 1pd7 h SER 12 N -0.67 0.25 0.91 1.72 0.87 -0.79 0.17 113.55 116.01 1pd7 h SER 12 Ca -0.02 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1pd7 h SER 12 Cb 0.60 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1pd7 h SER 12 CO -0.04 0.18 -0.44 0.22 -0.53 0.00 0.00 176.83 176.22 1pd7 h TYR 13 N 0.29 -1.15 -0.92 2.24 3.20 -1.49 0.08 116.97 119.22 1pd7 h TYR 13 Ca 0.09 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1pd7 h TYR 13 Cb -0.01 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1pd7 h TYR 13 CO -0.00 -0.71 0.53 0.28 -1.64 0.00 0.00 178.16 176.62 1pd7 h VAL 14 N -1.23 1.26 -0.33 1.81 2.07 -1.31 -1.74 116.25 116.77 1pd7 h VAL 14 Ca -0.13 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1pd7 h VAL 14 Cb 0.95 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1pd7 h VAL 14 CO 0.20 0.28 0.07 -1.13 0.02 0.00 0.00 177.57 177.01 1pd7 h ASN 15 N 1.27 0.03 -0.93 0.57 -1.24 -0.70 0.10 115.58 114.67 1pd7 h ASN 15 Ca 0.33 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.41 1pd7 h ASN 15 Cb -0.02 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 1pd7 h ASN 15 CO -0.06 0.05 0.62 0.50 -1.29 0.00 0.00 177.43 177.25 1pd7 h LYS 16 N 0.19 1.19 0.14 6.67 3.64 -0.31 0.43 116.57 128.53 1pd7 h LYS 16 Ca 0.16 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1pd7 h LYS 16 Cb 0.17 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1pd7 h LYS 16 CO -0.20 0.79 -0.07 0.82 -2.27 0.00 0.00 179.45 178.52 1pd7 h ILE 17 N 1.23 0.94 -0.83 2.00 2.04 -1.11 -0.27 117.51 121.50 1pd7 h ILE 17 Ca 0.35 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1pd7 h ILE 17 Cb -0.08 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1pd7 h ILE 17 CO -0.09 0.08 0.55 0.07 0.00 0.00 0.00 178.15 178.76 1pd7 h LYS 18 N -0.35 1.05 -0.01 2.37 2.10 -0.45 0.36 116.57 121.64 1pd7 h LYS 18 Ca -0.02 -0.06 -0.24 0.00 -2.00 0.00 0.00 60.65 58.33 1pd7 h LYS 18 Cb 0.28 -0.24 0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1pd7 h LYS 18 CO 0.03 0.69 -0.96 1.15 -2.00 0.00 0.00 179.45 178.36 1pd7 h THR 19 N 1.08 1.35 -0.05 0.07 2.02 -0.86 -3.32 112.91 113.20 1pd7 h THR 19 Ca 0.32 -2.34 -0.20 0.00 0.77 0.00 0.00 66.41 64.96 1pd7 h THR 19 Cb -0.05 2.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1pd7 h THR 19 CO -0.08 0.71 -0.74 0.03 0.37 0.00 0.00 175.52 175.81 1pd7 h ARG 20 N 0.31 0.58 -1.72 6.66 2.47 -0.77 -3.35 114.38 118.56 1pd7 h ARG 20 Ca -0.10 -0.56 -0.39 0.00 -1.26 0.00 0.00 59.98 57.67 1pd7 h ARG 20 Cb 1.60 0.15 -0.15 0.00 -1.65 0.00 0.00 29.97 29.92 1pd7 h ARG 20 CO 0.18 1.18 0.39 1.19 0.56 0.00 0.00 179.97 183.47 1pd7 n PHE 21 N -4.07 1.53 0.08 3.04 3.72 0.09 -3.97 117.46 117.89 1pd7 n PHE 21 Ca -0.10 -1.96 -0.08 0.00 -0.05 0.00 0.00 57.45 55.27 1pd7 n PHE 21 Cb 0.73 -1.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.07 1pd7 n PHE 21 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1pd7 h LEU 22 N 3.15 0.15 -0.07 4.37 3.38 -1.71 -2.87 115.31 121.71 1pd7 h LEU 22 Ca 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1pd7 h LEU 22 Cb 0.86 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1pd7 h LEU 22 CO 0.80 1.01 -0.02 0.47 0.09 0.00 0.00 178.44 180.78 1pd7 n ASP 23 N -3.54 0.13 -3.19 -0.43 8.00 -1.25 -4.30 116.55 111.96 1pd7 n ASP 23 Ca -0.03 -0.50 -0.23 0.00 0.71 0.00 0.00 54.79 54.75 1pd7 n ASP 23 Cb 0.87 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.74 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pd7 n HIS 24 N -1.11 -0.97 0.41 1.24 8.25 -1.09 -5.00 115.22 116.95 1pd7 n HIS 24 Ca 0.17 -3.22 0.09 0.00 -0.26 0.00 0.00 57.72 54.50 1pd7 n HIS 24 Cb 0.21 0.09 0.37 0.00 1.12 0.00 0.00 29.99 31.79 1pd7 n HIS 24 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1pd7 n PRO 25 N 1.95 0.08 0.28 -0.41 -0.02 -1.16 -1.34 135.00 134.38 1pd7 n PRO 25 Ca 0.23 0.35 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 1pd7 n PRO 25 Cb 0.52 -1.67 0.79 0.00 -0.02 0.00 0.00 33.50 33.13 1pd7 n PRO 25 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1pd7 h GLU 26 N 0.00 0.00 -0.05 -0.52 4.11 -1.94 -2.87 114.58 113.31 1pd7 h GLU 26 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1pd7 h GLU 26 Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1pd7 h GLU 26 CO 0.00 0.00 -0.45 0.82 0.07 0.00 0.00 179.01 179.45 1pd7 h ILE 27 N 0.00 1.42 0.01 -1.06 5.03 -1.54 -1.38 117.51 119.99 1pd7 h ILE 27 Ca 0.00 -1.89 0.00 0.00 -0.12 0.00 0.00 64.86 62.86 1pd7 h ILE 27 Cb 0.39 2.43 -0.00 0.00 -3.03 0.00 0.00 36.82 36.60 1pd7 h ILE 27 CO 0.00 0.55 -0.03 0.22 -0.68 0.00 0.00 178.15 178.21 1pd7 h TYR 28 N -0.11 -0.06 -0.23 1.37 3.20 -1.66 -0.53 116.97 118.95 1pd7 h TYR 28 Ca -0.04 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1pd7 h TYR 28 Cb 1.13 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 1pd7 h TYR 28 CO 0.14 -0.04 0.00 -0.09 -1.64 0.00 0.00 178.16 176.53 1pd7 h ARG 29 N -0.05 0.07 0.00 1.82 1.12 -1.55 -3.27 114.38 112.52 1pd7 h ARG 29 Ca 0.01 -0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.66 1pd7 h ARG 29 Cb 0.06 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 1pd7 h ARG 29 CO -0.02 0.05 -1.00 0.66 -3.11 0.00 0.00 179.97 176.55 1pd7 h SER 30 N 0.07 0.00 -0.66 -3.80 4.64 -1.11 -3.01 113.55 109.68 1pd7 h SER 30 Ca 0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1pd7 h SER 30 Cb 0.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1pd7 h SER 30 CO -0.18 0.99 0.16 2.19 -0.87 0.00 0.00 176.83 179.12 1pd7 h PHE 31 N 0.00 1.13 -0.21 4.77 -0.00 -1.15 -2.24 116.94 119.24 1pd7 h PHE 31 Ca -0.01 -0.13 -0.16 0.00 -0.00 0.00 0.00 57.97 57.67 1pd7 h PHE 31 Cb 1.77 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 37.39 1pd7 h PHE 31 CO 0.00 0.92 -0.51 -0.07 -0.00 0.00 0.00 178.31 178.65 1pd7 h LEU 32 N 1.03 0.66 -0.88 2.10 3.38 -1.64 -1.83 115.31 118.12 1pd7 h LEU 32 Ca 0.21 -0.34 0.22 0.00 0.09 0.00 0.00 57.88 58.07 1pd7 h LEU 32 Cb 0.36 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 1pd7 h LEU 32 CO 0.00 1.05 0.34 -0.08 0.09 0.00 0.00 178.44 179.85 1pd7 h GLU 33 N 0.47 0.33 -0.28 1.13 4.81 -1.35 0.46 114.58 120.15 1pd7 h GLU 33 Ca 0.02 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1pd7 h GLU 33 Cb 1.06 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 1pd7 h GLU 33 CO 0.10 0.22 -0.32 0.82 -0.73 0.00 0.00 179.01 179.09 1pd7 h ILE 34 N 0.34 1.30 -0.12 2.32 2.04 -1.12 -2.41 117.51 119.86 1pd7 h ILE 34 Ca 0.55 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1pd7 h ILE 34 Cb 1.07 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1pd7 h ILE 34 CO -0.56 0.48 -0.04 -0.07 0.00 0.00 0.00 178.15 177.96 1pd7 h LEU 35 N 0.45 0.16 -0.75 1.44 3.38 -0.51 -2.27 115.31 117.21 1pd7 h LEU 35 Ca 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1pd7 h LEU 35 Cb 0.90 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1pd7 h LEU 35 CO 0.08 0.23 0.06 0.45 0.09 0.00 0.00 178.44 179.35 1pd7 h HIS 36 N 0.18 1.08 -0.94 1.13 3.86 -0.01 -0.84 115.15 119.61 1pd7 h HIS 36 Ca 0.04 -0.15 0.22 0.00 -1.16 0.00 0.00 60.37 59.32 1pd7 h HIS 36 Cb 0.18 -0.30 -0.12 0.00 1.06 0.00 0.00 27.41 28.24 1pd7 h HIS 36 CO 0.00 0.93 0.48 1.15 0.86 0.00 0.00 177.93 181.35 1pd7 h THR 37 N 0.95 0.52 0.41 2.45 2.02 -0.89 0.43 112.91 118.79 1pd7 h THR 37 Ca 0.18 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1pd7 h THR 37 Cb 0.46 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1pd7 h THR 37 CO 0.02 0.09 -0.20 0.22 0.37 0.00 0.00 175.52 176.02 1pd7 h TYR 38 N 0.49 -0.51 0.00 3.16 3.20 -1.46 -3.40 116.97 118.45 1pd7 h TYR 38 Ca 0.59 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.45 1pd7 h TYR 38 Cb 1.10 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1pd7 h TYR 38 CO -0.08 -0.32 0.00 0.37 -1.64 0.00 0.00 178.16 176.49 1pd7 h GLN 39 N -0.82 0.00 -0.68 1.82 -0.00 -0.45 -3.25 115.11 111.73 1pd7 h GLN 39 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1pd7 h GLN 39 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.86 1pd7 h GLN 39 CO 0.09 0.00 0.45 -0.22 0.00 0.00 0.00 178.83 179.15 1pd7 h LYS 40 N 0.00 0.81 0.07 1.69 3.64 -1.15 0.77 116.57 122.39 1pd7 h LYS 40 Ca 0.00 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 1pd7 h LYS 40 Cb 0.95 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1pd7 h LYS 40 CO 0.00 0.54 -1.11 0.93 -2.27 0.00 0.00 179.45 177.54 1pd7 h GLU 41 N 0.84 0.16 0.00 1.90 5.08 -1.80 -3.40 114.58 117.35 1pd7 h GLU 41 Ca 0.27 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1pd7 h GLU 41 Cb 0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1pd7 h GLU 41 CO -0.07 1.11 -0.74 0.37 -1.00 0.00 0.00 179.01 178.67 1pd7 h GLN 42 N 0.05 0.00 0.00 2.33 4.15 -1.54 -3.50 115.11 116.60 1pd7 h GLN 42 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1pd7 h GLN 42 Cb 1.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.54 1pd7 h GLN 42 CO 0.17 0.82 0.00 1.28 -1.93 0.00 0.00 178.83 179.17 1pd7 n LEU 43 N -4.53 0.00 -2.77 -2.39 4.77 0.21 -4.17 117.00 108.13 1pd7 n LEU 43 Ca -0.21 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.62 1pd7 n LEU 43 Cb 0.53 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1pd7 n LEU 43 CO 0.21 0.00 -0.08 1.41 -1.33 0.00 0.00 177.39 177.60 1pd7 n HIS 44 N 14.00 1.47 -3.23 -1.77 8.25 -1.26 -5.07 115.22 127.60 1pd7 n HIS 44 Ca 0.00 -3.14 -0.26 0.00 -0.26 0.00 0.00 57.72 54.06 1pd7 n HIS 44 Cb 0.00 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 30.75 1pd7 n HIS 44 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1pd7 s THR 45 N -3.43 5.05 -0.22 1.59 -1.32 -1.26 -5.08 115.64 110.97 1pd7 s THR 45 Ca 0.35 -0.19 -0.04 0.00 -1.21 0.00 0.00 61.69 60.59 1pd7 s THR 45 Cb 0.42 -3.82 -0.01 0.00 -1.51 0.00 0.00 72.50 67.57 1pd7 s THR 45 CO -0.03 -0.54 -0.02 -0.54 -2.21 0.00 0.00 174.62 171.27 1pd7 s LYS 46 N -4.16 3.45 0.00 7.08 3.01 -1.26 -4.91 119.74 122.94 1pd7 s LYS 46 Ca 0.42 -0.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.79 1pd7 s LYS 46 Cb -0.10 -3.07 0.00 0.00 -1.01 0.00 0.00 37.83 33.65 1pd7 s LYS 46 CO 0.36 -0.17 0.00 0.41 0.51 0.00 0.00 175.35 176.45 1pd7 n GLY 47 N 4.76 -0.62 3.79 -3.33 0.00 -1.26 -5.15 105.19 103.38 1pd7 n GLY 47 Ca -0.18 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1pd7 n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pd7 s ARG 48 N 0.00 2.62 -0.43 1.61 1.70 -1.26 -4.98 118.95 118.21 1pd7 s ARG 48 Ca 0.00 1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 56.08 1pd7 s ARG 48 Cb 0.00 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 1pd7 s ARG 48 CO 0.00 -1.36 1.48 -1.25 -1.08 0.00 0.00 175.30 173.09 1pd7 s PRO 49 N -4.84 3.48 0.16 3.89 0.04 -1.26 -5.00 135.00 131.46 1pd7 s PRO 49 Ca 0.61 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1pd7 s PRO 49 Cb -0.16 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1pd7 s PRO 49 CO 0.53 -1.69 0.10 0.12 0.04 0.00 0.00 177.00 176.10 1pd7 s PHE 50 N 5.81 3.07 -0.26 0.56 5.36 -1.26 -5.11 117.98 126.15 1pd7 s PHE 50 Ca 0.63 -0.04 -0.02 0.00 -0.96 0.00 0.00 56.93 56.54 1pd7 s PHE 50 Cb -0.14 -1.49 0.15 0.00 -0.34 0.00 0.00 43.02 41.20 1pd7 s PHE 50 CO 0.32 0.52 0.45 -0.98 -1.46 0.00 0.00 175.22 174.06 1pd7 s ARG 51 N -3.01 0.42 -0.14 10.12 1.70 -1.26 -5.12 118.95 121.67 1pd7 s ARG 51 Ca 0.30 0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 55.95 1pd7 s ARG 51 Cb -0.10 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.10 1pd7 s ARG 51 CO 0.22 -0.64 1.64 0.20 -1.08 0.00 0.00 175.30 175.65 1pd7 s GLY 52 N 2.65 1.35 0.00 3.88 0.00 -1.26 -4.96 107.32 108.98 1pd7 s GLY 52 Ca 0.15 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1pd7 s GLY 52 CO -0.18 3.03 0.00 1.15 0.00 0.00 0.00 173.10 177.11 1pd7 n MET 53 N 7.42 0.00 -4.99 2.90 0.00 -1.26 -4.34 117.12 116.85 1pd7 n MET 53 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.56 1pd7 n MET 53 Cb 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.52 1pd7 n MET 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1pd7 s SER 54 N -4.00 3.71 0.46 3.17 0.15 -1.26 -5.01 113.70 110.92 1pd7 s SER 54 Ca 0.00 -0.33 0.31 0.00 0.70 0.00 0.00 55.95 56.63 1pd7 s SER 54 Cb 0.00 -1.03 1.33 0.00 -1.71 0.00 0.00 66.02 64.61 1pd7 s SER 54 CO 0.00 0.27 1.92 -0.33 1.20 0.00 0.00 173.24 176.30 1pd7 h GLU 55 N 5.92 0.00 0.00 5.44 5.08 -2.02 -1.21 114.58 127.79 1pd7 h GLU 55 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1pd7 h GLU 55 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1pd7 h GLU 55 CO 0.51 0.00 0.00 1.05 -1.00 0.00 0.00 179.01 179.57 1pd7 h GLU 56 N 0.00 0.00 0.15 2.33 4.11 -1.96 -3.25 114.58 115.96 1pd7 h GLU 56 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 1pd7 h GLU 56 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1pd7 h GLU 56 CO 0.00 0.00 -1.45 1.05 0.07 0.00 0.00 179.01 178.68 1pd7 h GLU 57 N 0.00 0.32 -0.73 1.06 4.11 -1.64 -0.66 114.58 117.04 1pd7 h GLU 57 Ca 0.00 -0.55 -0.03 0.00 0.07 0.00 0.00 59.36 58.85 1pd7 h GLU 57 Cb 0.74 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1pd7 h GLU 57 CO 0.00 1.23 0.35 -0.24 0.07 0.00 0.00 179.01 180.41 1pd7 h VAL 58 N 0.09 1.24 0.13 -1.06 3.04 -1.66 -0.69 116.25 117.33 1pd7 h VAL 58 Ca -0.22 -0.67 0.02 0.00 -1.01 0.00 0.00 66.70 64.82 1pd7 h VAL 58 Cb 2.04 0.33 -0.04 0.00 -2.01 0.00 0.00 31.29 31.61 1pd7 h VAL 58 CO 0.20 0.28 -0.29 0.15 -1.01 0.00 0.00 177.57 176.90 1pd7 h PHE 59 N 1.02 -0.80 -0.94 3.17 3.04 -1.59 -2.78 116.94 118.06 1pd7 h PHE 59 Ca 0.25 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.35 1pd7 h PHE 59 Cb 0.12 0.33 -0.08 0.00 2.56 0.00 0.00 35.95 38.89 1pd7 h PHE 59 CO 0.01 -0.40 0.60 0.00 -2.02 0.00 0.00 178.31 176.50 1pd7 h THR 60 N -0.52 0.86 -0.01 4.41 1.03 -0.15 -1.32 112.91 117.22 1pd7 h THR 60 Ca 0.03 -0.28 -0.19 0.00 -0.01 0.00 0.00 66.41 65.96 1pd7 h THR 60 Cb 0.54 -0.03 0.01 0.00 -1.07 0.00 0.00 68.15 67.61 1pd7 h THR 60 CO -0.17 0.15 -0.72 -0.33 -0.01 0.00 0.00 175.52 174.44 1pd7 h GLU 61 N 0.82 0.50 -0.11 0.00 5.08 -1.14 -3.21 114.58 116.52 1pd7 h GLU 61 Ca 0.48 -0.53 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1pd7 h GLU 61 Cb 0.64 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1pd7 h GLU 61 CO -0.24 1.17 0.09 0.28 -1.00 0.00 0.00 179.01 179.31 1pd7 h VAL 62 N 0.04 0.77 -0.11 3.13 2.07 -1.18 -2.66 116.25 118.31 1pd7 h VAL 62 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1pd7 h VAL 62 Cb 1.41 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1pd7 h VAL 62 CO 0.14 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1pd7 h ALA 63 N 1.92 1.79 -0.01 1.67 0.00 -1.25 -2.05 119.26 121.34 1pd7 h ALA 63 Ca 0.05 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1pd7 h ALA 63 Cb 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pd7 h ALA 63 CO -0.00 0.16 -0.94 -0.91 0.00 0.00 0.00 179.25 177.56 1pd7 h ASN 64 N 0.15 0.61 -0.80 0.00 2.35 -1.59 -3.21 115.58 113.10 1pd7 h ASN 64 Ca 0.04 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.27 1pd7 h ASN 64 Cb 0.12 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1pd7 h ASN 64 CO 0.00 1.28 0.35 -0.07 -1.65 0.00 0.00 177.43 177.34 1pd7 h LEU 65 N 0.27 1.09 -3.59 1.61 4.07 -1.49 -3.10 115.31 114.17 1pd7 h LEU 65 Ca -0.08 -0.16 -0.19 0.00 0.08 0.00 0.00 57.88 57.53 1pd7 h LEU 65 Cb 1.58 -0.28 -0.11 0.00 1.08 0.00 0.00 40.66 42.92 1pd7 h LEU 65 CO 0.17 0.94 0.18 0.49 -1.08 0.00 0.00 178.44 179.14 1pd7 n PHE 66 N -4.31 1.94 -2.13 1.13 3.72 -1.04 -5.01 117.46 111.77 1pd7 n PHE 66 Ca 0.07 -1.27 -0.42 0.00 -0.05 0.00 0.00 57.45 55.79 1pd7 n PHE 66 Cb 0.17 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 1pd7 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1pd7 s ARG 67 N -3.04 4.27 0.00 -1.08 1.70 -1.17 -2.17 118.95 117.46 1pd7 s ARG 67 Ca 0.51 2.10 0.00 0.00 -0.47 0.00 0.00 55.73 57.87 1pd7 s ARG 67 Cb 0.42 -3.45 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 1pd7 s ARG 67 CO 0.10 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.16 1pd7 n GLY 68 N 3.68 3.03 3.29 3.88 0.00 -1.26 -5.01 105.19 112.80 1pd7 n GLY 68 Ca 0.13 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 1pd7 n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pd7 s GLN 69 N 0.00 3.11 0.33 1.61 -2.07 -0.92 -4.93 119.66 116.79 1pd7 s GLN 69 Ca 0.00 -2.04 0.24 0.00 -1.82 0.00 0.00 55.36 51.75 1pd7 s GLN 69 Cb 0.00 -4.26 0.54 0.00 -1.09 0.00 0.00 33.01 28.20 1pd7 s GLN 69 CO 0.00 -1.29 1.66 0.93 -1.32 0.00 0.00 175.29 175.28 1pd7 h GLU 70 N 8.32 0.00 -0.64 9.60 5.08 -1.95 -3.36 114.58 131.62 1pd7 h GLU 70 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1pd7 h GLU 70 Cb 1.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1pd7 h GLU 70 CO 0.89 0.00 0.34 0.38 -1.00 0.00 0.00 179.01 179.62 1pd7 h ASP 71 N 0.00 0.78 -1.01 1.42 2.03 -1.95 -0.27 116.42 117.42 1pd7 h ASP 71 Ca 0.00 -0.06 0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1pd7 h ASP 71 Cb 0.88 -0.20 -0.06 0.00 -0.83 0.00 0.00 39.33 39.12 1pd7 h ASP 71 CO 0.00 0.64 0.66 -0.07 -1.03 0.00 0.00 179.24 179.44 1pd7 h LEU 72 N 0.89 1.11 0.00 0.15 3.38 -1.98 -0.73 115.31 118.13 1pd7 h LEU 72 Ca 0.23 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1pd7 h LEU 72 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1pd7 h LEU 72 CO -0.04 0.77 -0.67 -0.07 0.09 0.00 0.00 178.44 178.53 1pd7 h LEU 73 N 1.30 0.00 0.29 1.67 -0.00 -1.53 -2.78 115.31 114.25 1pd7 h LEU 73 Ca 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.26 1pd7 h LEU 73 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1pd7 h LEU 73 CO -0.11 0.56 -0.14 -1.28 -0.00 0.00 0.00 178.44 177.46 1pd7 h SER 74 N 0.00 -0.33 0.86 -0.43 0.87 -0.62 -3.13 113.55 110.78 1pd7 h SER 74 Ca -0.03 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1pd7 h SER 74 Cb 1.45 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1pd7 h SER 74 CO 0.07 0.05 0.00 -0.33 -0.53 0.00 0.00 176.83 176.09 1pd7 h GLU 75 N -0.76 0.00 0.00 2.24 5.08 -1.26 -1.51 114.58 118.38 1pd7 h GLU 75 Ca -0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1pd7 h GLU 75 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1pd7 h GLU 75 CO 0.06 0.00 -0.17 0.35 -1.00 0.00 0.00 179.01 178.26 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.44 -3.18 116.94 120.22 1pd7 h PHE 76 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pd7 h PHE 76 Cb 0.43 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1pd7 h PHE 76 CO 0.00 0.17 0.00 0.78 -2.23 0.00 0.00 178.31 177.03 1pd7 h GLY 77 N 0.53 0.00 2.00 2.40 0.00 -1.22 -2.84 103.07 103.95 1pd7 h GLY 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pd7 h GLY 77 CO 0.02 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.02 1pd7 h GLN 78 N 0.00 0.00 0.02 4.80 4.20 -1.73 -2.66 115.11 119.75 1pd7 h GLN 78 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 1pd7 h GLN 78 Cb 0.08 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.81 1pd7 h GLN 78 CO 0.00 0.00 -2.09 0.34 -0.67 0.00 0.00 178.83 176.41 1pd7 n PHE 79 N -3.04 0.51 -2.14 2.96 7.35 -1.08 -5.07 117.46 116.95 1pd7 n PHE 79 Ca -0.01 0.17 -0.29 0.00 -0.76 0.00 0.00 57.45 56.56 1pd7 n PHE 79 Cb 0.22 -1.06 0.02 0.00 0.35 0.00 0.00 39.48 39.02 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1pd7 s LEU 80 N -7.31 3.22 0.19 -2.13 1.43 -1.00 -5.00 118.68 108.08 1pd7 s LEU 80 Ca -0.32 1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1pd7 s LEU 80 Cb 0.10 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 1pd7 s LEU 80 CO 0.59 -0.99 1.11 -2.16 0.23 0.00 0.00 176.35 175.14 1pd7 s PRO 81 N -5.10 4.59 -0.57 1.29 0.04 -1.26 -4.78 135.00 129.20 1pd7 s PRO 81 Ca 0.54 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.37 1pd7 s PRO 81 Cb -0.11 -3.26 0.16 0.00 0.04 0.00 0.00 34.50 31.33 1pd7 s PRO 81 CO 0.50 0.08 0.38 -1.21 0.04 0.00 0.00 177.00 176.79 1pd7 s GLU 82 N -0.53 1.88 -0.30 4.56 2.02 -1.26 -4.87 118.70 120.21 1pd7 s GLU 82 Ca 0.49 -2.76 0.19 0.00 0.02 0.00 0.00 54.97 52.91 1pd7 s GLU 82 Cb -0.30 -2.83 0.47 0.00 0.10 0.00 0.00 34.13 31.57 1pd7 s GLU 82 CO 0.36 -1.25 1.04 0.00 0.02 0.00 0.00 175.26 175.43 1pd7 n ALA 83 N 2.60 3.01 -0.05 5.21 0.00 -1.26 -4.94 120.51 125.08 1pd7 n ALA 83 Ca 0.17 -2.86 -0.22 0.00 0.00 0.00 0.00 53.44 50.54 1pd7 n ALA 83 Cb 0.37 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 1pd7 n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pd7 n LYS 84 N -0.32 0.66 0.00 0.00 4.81 -1.26 -5.33 118.16 116.71 1pd7 n LYS 84 Ca 0.07 0.43 0.12 0.00 -0.87 0.00 0.00 58.31 58.06 1pd7 n LYS 84 Cb 0.82 -1.73 0.73 0.00 0.02 0.00 0.00 35.03 34.87 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11