#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 -0.68 0.00 1.62 1.04 -1.26 -5.08 113.70 109.35 1pd7 s SER 2 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1pd7 s SER 2 Cb 0.00 1.72 0.00 0.00 0.10 0.00 0.00 66.02 67.84 1pd7 s SER 2 CO 0.00 -0.27 0.00 -0.90 0.98 0.00 0.00 173.24 173.05 1pd7 n ASP 3 N 5.40 0.00 -1.59 7.02 5.75 -1.26 -4.75 116.55 127.13 1pd7 n ASP 3 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.72 1pd7 n ASP 3 Cb 0.50 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.82 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1pd7 n SER 4 N 0.00 3.97 -0.02 -1.12 7.64 -1.26 -4.42 113.62 118.41 1pd7 n SER 4 Ca 0.00 -2.80 -0.11 0.00 1.01 0.00 0.00 58.87 56.97 1pd7 n SER 4 Cb 0.00 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.99 1.14 0.00 0.44 2.07 -1.98 -2.85 116.25 117.06 1pd7 h VAL 5 Ca 0.15 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1pd7 h VAL 5 Cb 1.78 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1pd7 h VAL 5 CO 0.48 0.13 0.00 1.05 0.02 0.00 0.00 177.57 179.25 1pd7 h GLU 6 N 0.02 0.00 -0.60 1.57 4.11 -1.93 -0.48 114.58 117.26 1pd7 h GLU 6 Ca 0.04 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.47 1pd7 h GLU 6 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1pd7 h GLU 6 CO -0.00 0.00 0.40 0.35 0.07 0.00 0.00 179.01 179.83 1pd7 h PHE 7 N 0.00 0.76 0.00 2.06 3.04 -1.82 -1.11 116.94 119.86 1pd7 h PHE 7 Ca 0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1pd7 h PHE 7 Cb 0.61 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 1pd7 h PHE 7 CO 0.00 0.47 -0.05 -0.91 -2.02 0.00 0.00 178.31 175.80 1pd7 h ASN 8 N 0.82 0.00 1.11 0.41 2.35 -1.05 -2.74 115.58 116.47 1pd7 h ASN 8 Ca 0.22 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 1pd7 h ASN 8 Cb -0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1pd7 h ASN 8 CO -0.05 0.05 -0.60 0.78 -1.65 0.00 0.00 177.43 175.96 1pd7 h ASN 9 N 0.00 0.00 -0.41 5.81 2.35 -0.66 -1.55 115.58 121.12 1pd7 h ASN 9 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1pd7 h ASN 9 Cb 0.96 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 1pd7 h ASN 9 CO 0.01 0.60 0.06 0.00 -1.65 0.00 0.00 177.43 176.45 1pd7 h ALA 10 N 1.40 0.54 -0.48 -0.83 0.00 -0.95 -2.88 119.26 116.06 1pd7 h ALA 10 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1pd7 h ALA 10 Cb 1.32 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1pd7 h ALA 10 CO 0.08 0.26 0.17 0.82 0.00 0.00 0.00 179.25 180.58 1pd7 h ILE 11 N 0.53 0.84 -0.90 0.00 1.08 -1.38 -1.97 117.51 115.71 1pd7 h ILE 11 Ca 0.12 -0.12 0.16 0.00 -0.39 0.00 0.00 64.86 64.64 1pd7 h ILE 11 Cb 0.38 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 34.52 1pd7 h ILE 11 CO 0.01 0.06 0.58 0.28 -0.69 0.00 0.00 178.15 178.39 1pd7 h SER 12 N 0.35 0.61 0.02 1.72 0.02 -1.21 0.39 113.55 115.44 1pd7 h SER 12 Ca 0.23 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1pd7 h SER 12 Cb 0.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1pd7 h SER 12 CO -0.24 0.29 -0.01 0.22 -1.14 0.00 0.00 176.83 175.95 1pd7 h TYR 13 N 0.63 -0.02 -0.77 3.45 3.20 -1.15 -1.01 116.97 121.29 1pd7 h TYR 13 Ca 0.46 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.29 1pd7 h TYR 13 Cb 0.84 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1pd7 h TYR 13 CO -0.00 0.43 0.33 0.28 -1.64 0.00 0.00 178.16 177.55 1pd7 h VAL 14 N -0.49 1.25 -0.56 1.81 2.07 -0.94 -0.67 116.25 118.73 1pd7 h VAL 14 Ca -0.00 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1pd7 h VAL 14 Cb 0.47 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1pd7 h VAL 14 CO 0.00 0.32 0.24 -1.13 0.02 0.00 0.00 177.57 177.02 1pd7 h ASN 15 N 1.10 0.29 -0.46 0.57 -1.24 -0.28 0.16 115.58 115.73 1pd7 h ASN 15 Ca 0.26 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.32 1pd7 h ASN 15 Cb 0.19 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 1pd7 h ASN 15 CO -0.02 0.19 0.29 0.50 -1.29 0.00 0.00 177.43 177.10 1pd7 h LYS 16 N 0.45 0.62 -0.18 6.67 3.64 -0.74 0.29 116.57 127.32 1pd7 h LYS 16 Ca 0.26 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1pd7 h LYS 16 Cb 0.25 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1pd7 h LYS 16 CO -0.23 0.44 -0.05 0.82 -2.27 0.00 0.00 179.45 178.16 1pd7 h ILE 17 N 0.62 0.82 -0.32 2.00 2.04 -0.87 -0.54 117.51 121.25 1pd7 h ILE 17 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1pd7 h ILE 17 Cb -0.03 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1pd7 h ILE 17 CO -0.03 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.34 1pd7 h LYS 18 N -0.00 0.25 -0.95 2.37 1.57 -0.48 -0.71 116.57 118.62 1pd7 h LYS 18 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1pd7 h LYS 18 Cb 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1pd7 h LYS 18 CO -0.19 0.17 0.58 1.15 -0.57 0.00 0.00 179.45 180.59 1pd7 h THR 19 N 0.26 1.26 0.44 -0.16 2.02 -0.68 -2.71 112.91 113.34 1pd7 h THR 19 Ca 0.14 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1pd7 h THR 19 Cb 0.11 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1pd7 h THR 19 CO -0.14 0.27 -0.21 0.03 0.37 0.00 0.00 175.52 175.84 1pd7 h ARG 20 N 1.31 -0.57 -1.57 6.66 2.47 -0.96 -3.34 114.38 118.38 1pd7 h ARG 20 Ca 0.34 0.04 -0.29 0.00 -1.26 0.00 0.00 59.98 58.81 1pd7 h ARG 20 Cb -0.07 0.13 -0.13 0.00 -1.65 0.00 0.00 29.97 28.25 1pd7 h ARG 20 CO -0.07 -0.28 0.38 1.19 0.56 0.00 0.00 179.97 181.76 1pd7 n PHE 21 N -5.25 1.40 0.03 3.04 3.72 -0.28 -3.94 117.46 116.18 1pd7 n PHE 21 Ca -0.11 -1.88 -0.12 0.00 -0.05 0.00 0.00 57.45 55.29 1pd7 n PHE 21 Cb 0.29 -0.92 -0.00 0.00 -0.94 0.00 0.00 39.48 37.91 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 2.57 0.62 -0.24 4.37 3.38 -1.61 -2.74 115.31 121.66 1pd7 h LEU 22 Ca 0.26 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1pd7 h LEU 22 Cb 0.92 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1pd7 h LEU 22 CO 0.69 1.17 0.00 -0.67 0.09 0.00 0.00 178.44 179.72 1pd7 n ASP 23 N -3.87 0.76 -3.18 -0.43 2.03 -1.25 -4.24 116.55 106.37 1pd7 n ASP 23 Ca -0.05 0.61 -0.23 0.00 0.52 0.00 0.00 54.79 55.63 1pd7 n ASP 23 Cb 0.72 -0.80 -0.05 0.00 -0.72 0.00 0.00 41.12 40.27 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pd7 n HIS 24 N -2.25 1.43 1.12 -0.67 8.25 -1.06 -4.95 115.22 117.10 1pd7 n HIS 24 Ca 0.04 -3.84 0.11 0.00 -0.26 0.00 0.00 57.72 53.77 1pd7 n HIS 24 Cb 0.36 -0.44 0.58 0.00 1.12 0.00 0.00 29.99 31.61 1pd7 n HIS 24 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1pd7 n PRO 25 N 0.61 0.42 0.20 -0.41 -0.04 -1.08 -1.66 135.00 133.03 1pd7 n PRO 25 Ca 0.26 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.84 1pd7 n PRO 25 Cb 0.52 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.88 1pd7 n PRO 25 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pd7 h GLU 26 N 0.00 0.00 -0.49 0.54 4.11 -1.93 -2.92 114.58 113.90 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 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pd7 h GLU 26 CO 0.00 0.34 -0.16 0.82 0.07 0.00 0.00 179.01 180.07 1pd7 h ILE 27 N 0.00 1.27 0.00 -1.06 1.08 -1.65 -0.80 117.51 116.35 1pd7 h ILE 27 Ca -0.00 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1pd7 h ILE 27 Cb 0.78 1.06 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1pd7 h ILE 27 CO 0.04 0.45 -0.00 0.22 -0.69 0.00 0.00 178.15 178.17 1pd7 h TYR 28 N 0.84 0.00 0.03 1.37 3.20 -1.68 0.18 116.97 120.91 1pd7 h TYR 28 Ca 0.12 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 28 Cb 0.72 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1pd7 h TYR 28 CO 0.05 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 176.56 1pd7 h ARG 29 N 0.00 -0.04 0.00 1.82 2.47 -1.42 -3.42 114.38 113.80 1pd7 h ARG 29 Ca -0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.55 1pd7 h ARG 29 Cb 0.43 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1pd7 h ARG 29 CO 0.00 0.48 -0.83 0.66 0.56 0.00 0.00 179.97 180.84 1pd7 h SER 30 N -0.98 0.04 -0.28 7.04 4.64 -0.66 -3.29 113.55 120.06 1pd7 h SER 30 Ca -0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1pd7 h SER 30 Cb 0.53 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.53 1pd7 h SER 30 CO 0.01 0.85 -0.44 0.15 -0.87 0.00 0.00 176.83 176.53 1pd7 h PHE 31 N 0.02 -1.28 -0.05 4.77 3.57 -0.89 -2.98 116.94 120.08 1pd7 h PHE 31 Ca -0.01 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 1pd7 h PHE 31 Cb 1.46 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 40.80 1pd7 h PHE 31 CO 0.00 -0.47 -0.74 -0.07 -2.23 0.00 0.00 178.31 174.81 1pd7 h LEU 32 N -0.41 0.37 -2.20 0.59 3.38 -1.80 -2.93 115.31 112.31 1pd7 h LEU 32 Ca 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pd7 h LEU 32 Cb 0.61 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pd7 h LEU 32 CO -0.50 0.99 -0.02 -0.33 0.09 0.00 0.00 178.44 178.68 1pd7 h GLU 33 N 0.21 0.00 -0.11 1.13 5.08 -1.60 0.42 114.58 119.71 1pd7 h GLU 33 Ca -0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1pd7 h GLU 33 Cb 1.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.58 1pd7 h GLU 33 CO 0.12 0.02 -0.67 0.82 -1.00 0.00 0.00 179.01 178.30 1pd7 h ILE 34 N 0.00 1.32 0.00 3.13 2.04 -1.38 -3.10 117.51 119.53 1pd7 h ILE 34 Ca -0.00 -1.93 -0.05 0.00 1.00 0.00 0.00 64.86 63.88 1pd7 h ILE 34 Cb 0.04 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1pd7 h ILE 34 CO 0.00 0.60 -0.22 -0.07 0.00 0.00 0.00 178.15 178.46 1pd7 h LEU 35 N 0.32 0.00 -0.84 1.44 3.38 -1.03 -2.43 115.31 116.15 1pd7 h LEU 35 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1pd7 h LEU 35 Cb 1.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1pd7 h LEU 35 CO 0.14 0.22 0.45 0.45 0.09 0.00 0.00 178.44 179.78 1pd7 h HIS 36 N 0.00 1.16 -0.72 1.13 3.86 -0.25 0.29 115.15 120.61 1pd7 h HIS 36 Ca -0.00 -0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1pd7 h HIS 36 Cb 0.46 -0.37 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 1pd7 h HIS 36 CO 0.00 0.81 0.48 1.15 0.86 0.00 0.00 177.93 181.23 1pd7 h THR 37 N 1.17 0.87 0.02 2.45 2.02 -1.36 -2.29 112.91 115.79 1pd7 h THR 37 Ca 0.29 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1pd7 h THR 37 Cb 0.05 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1pd7 h THR 37 CO -0.04 0.09 -0.01 0.22 0.37 0.00 0.00 175.52 176.15 1pd7 h TYR 38 N 0.51 -0.02 0.00 3.16 3.20 -1.38 -3.42 116.97 119.01 1pd7 h TYR 38 Ca 0.34 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1pd7 h TYR 38 Cb 0.64 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1pd7 h TYR 38 CO -0.00 -0.02 -0.06 0.37 -1.64 0.00 0.00 178.16 176.82 1pd7 h GLN 39 N -0.86 0.00 -1.13 1.82 -0.00 -0.30 -2.80 115.11 111.85 1pd7 h GLN 39 Ca -0.00 0.00 0.32 0.00 -0.00 0.00 0.00 58.65 58.96 1pd7 h GLN 39 Cb 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.43 1pd7 h GLN 39 CO 0.00 0.06 0.78 -0.22 0.00 0.00 0.00 178.83 179.45 1pd7 h LYS 40 N 0.00 0.14 -0.52 1.69 3.64 -1.65 -1.26 116.57 118.61 1pd7 h LYS 40 Ca -0.00 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 1pd7 h LYS 40 Cb 0.14 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1pd7 h LYS 40 CO 0.01 0.09 0.56 1.05 -2.27 0.00 0.00 179.45 178.89 1pd7 h GLU 41 N 0.14 0.00 0.00 1.90 -0.00 -1.79 -1.87 114.58 112.96 1pd7 h GLU 41 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.94 1pd7 h GLU 41 Cb 1.99 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.74 1pd7 h GLU 41 CO -0.12 0.00 0.00 0.37 -0.00 0.00 0.00 179.01 179.26 1pd7 h GLN 42 N 0.00 0.00 -7.35 1.06 5.75 -1.49 -3.45 115.11 109.62 1pd7 h GLN 42 Ca 0.25 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 58.24 1pd7 h GLN 42 Cb 1.37 0.00 0.10 0.00 1.07 0.00 0.00 27.48 30.02 1pd7 h GLN 42 CO -0.00 0.00 0.35 -0.51 -2.65 0.00 0.00 178.83 176.02 1pd7 s LEU 43 N -5.88 2.95 -1.37 -2.39 1.43 -0.70 -4.94 118.68 107.78 1pd7 s LEU 43 Ca 0.03 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1pd7 s LEU 43 Cb 0.08 -4.33 0.10 0.00 0.03 0.00 0.00 46.19 42.08 1pd7 s LEU 43 CO 0.56 -1.68 2.06 1.41 0.23 0.00 0.00 176.35 178.93 1pd7 n HIS 44 N -3.28 3.20 -2.72 0.29 8.25 -1.26 -4.96 115.22 114.74 1pd7 n HIS 44 Ca 0.08 -2.88 -0.33 0.00 -0.26 0.00 0.00 57.72 54.32 1pd7 n HIS 44 Cb 0.54 -2.24 -0.06 0.00 1.12 0.00 0.00 29.99 29.36 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1pd7 s THR 45 N 1.69 4.23 0.05 1.59 2.01 -1.26 -5.03 115.64 118.92 1pd7 s THR 45 Ca 0.44 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.56 1pd7 s THR 45 Cb 0.12 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1pd7 s THR 45 CO -0.04 -0.32 0.75 -0.54 -0.69 0.00 0.00 174.62 173.78 1pd7 s LYS 46 N -3.25 4.48 0.00 4.92 3.01 -1.26 -4.51 119.74 123.14 1pd7 s LYS 46 Ca 0.63 1.04 0.00 0.00 -1.01 0.00 0.00 55.97 56.63 1pd7 s LYS 46 Cb -0.11 -3.35 0.00 0.00 -1.01 0.00 0.00 37.83 33.36 1pd7 s LYS 46 CO 0.16 0.33 0.00 0.41 0.51 0.00 0.00 175.35 176.76 1pd7 n GLY 47 N 2.29 2.19 0.90 -3.33 0.00 -1.26 -4.92 105.19 101.05 1pd7 n GLY 47 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1pd7 n GLY 47 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pd7 n ARG 48 N 0.00 0.00 -0.00 1.61 -4.01 -1.26 -4.87 116.66 108.12 1pd7 n ARG 48 Ca 0.00 0.00 0.15 0.00 -1.04 0.00 0.00 57.85 56.96 1pd7 n ARG 48 Cb 0.00 0.00 0.91 0.00 -3.04 0.00 0.00 32.46 30.33 1pd7 n ARG 48 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 1pd7 n PRO 49 N 0.01 1.01 -3.57 2.89 -0.04 -1.26 -4.81 135.00 129.24 1pd7 n PRO 49 Ca 0.00 -0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1pd7 n PRO 49 Cb 0.00 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 1pd7 n PRO 49 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1pd7 s PHE 50 N -2.00 -0.20 0.00 0.54 5.36 -1.26 -5.12 117.98 115.30 1pd7 s PHE 50 Ca 0.46 0.12 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 1pd7 s PHE 50 Cb 0.21 0.52 0.00 0.00 -0.34 0.00 0.00 43.02 43.41 1pd7 s PHE 50 CO 0.36 -0.32 0.00 2.89 -1.46 0.00 0.00 175.22 176.69 1pd7 n ARG 51 N -0.14 0.00 -1.17 10.12 1.85 -1.26 -5.05 116.66 121.01 1pd7 n ARG 51 Ca -0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.65 1pd7 n ARG 51 Cb 0.59 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.90 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pd7 n GLY 52 N -0.80 3.57 6.03 2.89 0.00 -1.26 -4.95 105.19 110.66 1pd7 n GLY 52 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1pd7 n GLY 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pd7 n MET 53 N 1.71 0.00 -4.73 1.61 0.00 -1.26 -4.67 117.12 109.77 1pd7 n MET 53 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.82 1pd7 n MET 53 Cb 0.74 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.83 1pd7 n MET 53 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1pd7 s SER 54 N -3.44 3.77 0.54 3.17 0.01 -1.26 -5.01 113.70 111.47 1pd7 s SER 54 Ca 0.00 -0.40 0.25 0.00 1.31 0.00 0.00 55.95 57.11 1pd7 s SER 54 Cb 0.00 -0.62 1.53 0.00 0.21 0.00 0.00 66.02 67.14 1pd7 s SER 54 CO 0.00 0.27 2.15 1.05 0.41 0.00 0.00 173.24 177.12 1pd7 h GLU 55 N 4.70 0.00 -0.93 12.44 9.09 -2.02 -1.36 114.58 136.49 1pd7 h GLU 55 Ca -0.47 0.00 0.17 0.00 0.05 0.00 0.00 59.36 59.11 1pd7 h GLU 55 Cb 1.15 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.17 1pd7 h GLU 55 CO 0.48 0.06 0.60 0.93 0.05 0.00 0.00 179.01 181.13 1pd7 h GLU 56 N 0.00 0.62 0.10 1.06 5.08 -1.99 -3.07 114.58 116.39 1pd7 h GLU 56 Ca -0.00 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.03 1pd7 h GLU 56 Cb 0.15 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pd7 h GLU 56 CO 0.01 0.41 -1.48 1.05 -1.00 0.00 0.00 179.01 178.00 1pd7 h GLU 57 N 0.64 0.22 -0.50 2.33 4.11 -1.66 -0.68 114.58 119.04 1pd7 h GLU 57 Ca 0.49 -0.37 -0.07 0.00 0.07 0.00 0.00 59.36 59.49 1pd7 h GLU 57 Cb 0.90 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1pd7 h GLU 57 CO -0.25 1.08 0.04 -0.24 0.07 0.00 0.00 179.01 179.71 1pd7 h VAL 58 N 0.06 1.24 0.26 -1.06 3.04 -1.62 0.37 116.25 118.54 1pd7 h VAL 58 Ca -0.22 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 1pd7 h VAL 58 Cb 1.99 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 1pd7 h VAL 58 CO 0.16 0.34 -0.30 0.15 -1.01 0.00 0.00 177.57 176.90 1pd7 h PHE 59 N 0.76 -0.81 -0.93 3.17 3.57 -1.56 -2.29 116.94 118.84 1pd7 h PHE 59 Ca 0.15 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1pd7 h PHE 59 Cb 0.40 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1pd7 h PHE 59 CO 0.02 -0.43 0.58 0.00 -2.23 0.00 0.00 178.31 176.25 1pd7 h THR 60 N -0.61 1.00 -0.24 4.41 1.03 -0.01 -2.05 112.91 116.43 1pd7 h THR 60 Ca -0.00 -0.34 -0.14 0.00 -0.01 0.00 0.00 66.41 65.91 1pd7 h THR 60 Cb 0.57 -0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 67.56 1pd7 h THR 60 CO -0.09 0.18 -0.38 -0.33 -0.01 0.00 0.00 175.52 174.89 1pd7 h GLU 61 N 1.00 0.69 -0.76 0.00 4.39 -0.32 -2.94 114.58 116.65 1pd7 h GLU 61 Ca 0.43 -0.42 0.15 0.00 0.34 0.00 0.00 59.36 59.86 1pd7 h GLU 61 Cb 0.29 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1pd7 h GLU 61 CO -0.21 1.04 0.51 0.28 -1.16 0.00 0.00 179.01 179.46 1pd7 h VAL 62 N 0.41 0.80 -0.36 3.13 2.07 -1.17 -2.79 116.25 118.35 1pd7 h VAL 62 Ca 0.02 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1pd7 h VAL 62 Cb 0.98 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1pd7 h VAL 62 CO 0.09 0.08 0.17 0.00 0.02 0.00 0.00 177.57 177.93 1pd7 h ALA 63 N 1.64 1.61 -0.02 1.67 0.00 -1.18 -1.29 119.26 121.69 1pd7 h ALA 63 Ca 0.37 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1pd7 h ALA 63 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1pd7 h ALA 63 CO -0.12 0.31 -0.42 -0.91 0.00 0.00 0.00 179.25 178.11 1pd7 h ASN 64 N 0.51 0.05 0.26 0.00 2.35 -1.57 -2.48 115.58 114.70 1pd7 h ASN 64 Ca 0.13 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 1pd7 h ASN 64 Cb 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1pd7 h ASN 64 CO -0.02 0.46 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.51 1pd7 h LEU 65 N 0.04 0.42 0.00 1.61 4.07 -1.37 -3.28 115.31 116.80 1pd7 h LEU 65 Ca 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1pd7 h LEU 65 Cb 0.75 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1pd7 h LEU 65 CO 0.06 0.95 -1.33 0.49 -1.08 0.00 0.00 178.44 177.52 1pd7 n PHE 66 N -3.87 0.00 -1.04 1.13 3.72 -1.16 -5.03 117.46 111.21 1pd7 n PHE 66 Ca -0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 1pd7 n PHE 66 Cb 0.65 -0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.91 1pd7 n PHE 66 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1pd7 n ARG 67 N -1.76 0.00 0.00 -1.08 1.85 -0.94 -1.25 116.66 113.48 1pd7 n ARG 67 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1pd7 n ARG 67 Cb 0.41 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pd7 n GLY 68 N 4.61 2.83 3.46 2.89 0.00 -1.26 -5.06 105.19 112.66 1pd7 n GLY 68 Ca 0.46 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1pd7 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pd7 s GLN 69 N 0.00 3.14 0.02 1.61 -0.21 -0.38 -4.90 119.66 118.93 1pd7 s GLN 69 Ca 0.00 -0.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 1pd7 s GLN 69 Cb 0.00 -4.20 -0.32 0.00 1.00 0.00 0.00 33.01 29.49 1pd7 s GLN 69 CO 0.00 -1.74 0.94 1.05 -2.12 0.00 0.00 175.29 173.43 1pd7 h GLU 70 N 9.49 0.40 -0.02 2.91 4.11 -1.97 -3.39 114.58 126.11 1pd7 h GLU 70 Ca -0.28 -0.68 -0.04 0.00 0.07 0.00 0.00 59.36 58.42 1pd7 h GLU 70 Cb 1.07 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1pd7 h GLU 70 CO 1.16 1.31 -0.18 0.38 0.07 0.00 0.00 179.01 181.74 1pd7 h ASP 71 N 0.11 0.02 -0.33 3.06 3.04 -1.99 -0.62 116.42 119.72 1pd7 h ASP 71 Ca -0.24 -0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.59 1pd7 h ASP 71 Cb 2.09 -0.01 -0.04 0.00 -1.04 0.00 0.00 39.33 40.33 1pd7 h ASP 71 CO 0.22 0.21 0.05 -0.07 -2.04 0.00 0.00 179.24 177.62 1pd7 h LEU 72 N 0.02 -0.01 -0.67 0.15 3.38 -1.99 -1.53 115.31 114.67 1pd7 h LEU 72 Ca 0.00 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1pd7 h LEU 72 Cb 0.34 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1pd7 h LEU 72 CO 0.02 0.03 -0.66 -0.07 0.09 0.00 0.00 178.44 177.86 1pd7 h LEU 73 N 0.17 0.06 -0.60 1.67 3.38 -1.37 -0.69 115.31 117.92 1pd7 h LEU 73 Ca 0.15 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1pd7 h LEU 73 Cb 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1pd7 h LEU 73 CO -0.21 0.70 0.37 0.28 0.09 0.00 0.00 178.44 179.67 1pd7 h SER 74 N 0.03 0.71 1.01 -0.43 0.02 -1.23 -1.79 113.55 111.88 1pd7 h SER 74 Ca -0.01 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1pd7 h SER 74 Cb 1.16 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1pd7 h SER 74 CO 0.09 0.55 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.85 1pd7 h GLU 75 N 0.81 0.00 0.00 3.45 4.39 -1.02 -2.45 114.58 119.77 1pd7 h GLU 75 Ca 0.22 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1pd7 h GLU 75 Cb -0.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1pd7 h GLU 75 CO -0.04 0.14 -0.09 0.35 -1.16 0.00 0.00 179.01 178.21 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.30 -2.60 116.94 121.94 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 0.69 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1pd7 h PHE 76 CO 0.00 0.09 0.07 0.78 -2.23 0.00 0.00 178.31 177.01 1pd7 h GLY 77 N 1.52 0.00 -0.71 2.40 0.00 -0.89 -3.24 103.07 102.14 1pd7 h GLY 77 Ca -0.00 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.62 1pd7 h GLY 77 CO 0.01 0.00 0.28 0.06 0.00 0.00 0.00 176.54 176.89 1pd7 h GLN 78 N 0.00 0.12 0.00 4.80 3.07 -1.63 -3.22 115.11 118.25 1pd7 h GLN 78 Ca 0.00 -0.01 -0.24 0.00 0.09 0.00 0.00 58.65 58.49 1pd7 h GLN 78 Cb 0.14 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 27.63 1pd7 h GLN 78 CO 0.00 0.08 -1.86 0.34 0.09 0.00 0.00 178.83 177.48 1pd7 n PHE 79 N -5.29 0.00 -1.61 0.06 7.35 -1.23 -5.08 117.46 111.67 1pd7 n PHE 79 Ca 0.26 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.65 1pd7 n PHE 79 Cb 0.86 -0.57 0.06 0.00 0.35 0.00 0.00 39.48 40.18 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 -6.24 2.98 0.18 -2.13 1.43 -1.22 -4.98 118.68 108.71 1pd7 s LEU 80 Ca -0.21 1.49 -0.32 0.00 -1.03 0.00 0.00 54.13 54.07 1pd7 s LEU 80 Cb 0.06 -4.31 -0.11 0.00 0.03 0.00 0.00 46.19 41.87 1pd7 s LEU 80 CO 0.32 -1.54 1.63 -2.84 0.23 0.00 0.00 176.35 174.16 1pd7 s PRO 81 N -5.10 4.18 -0.00 1.29 0.02 -1.26 -4.73 135.00 129.39 1pd7 s PRO 81 Ca 0.59 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 64.05 1pd7 s PRO 81 Cb -0.14 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 1pd7 s PRO 81 CO 0.55 -0.67 0.53 0.93 -0.33 0.00 0.00 177.00 178.00 1pd7 h GLU 82 N 6.79 -0.06 0.00 5.54 5.08 -1.94 -3.46 114.58 126.53 1pd7 h GLU 82 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1pd7 h GLU 82 Cb 1.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1pd7 h GLU 82 CO 0.93 -0.04 -0.05 0.00 -1.00 0.00 0.00 179.01 178.85 1pd7 n ALA 83 N -2.07 2.70 0.01 3.43 0.00 -1.26 -5.05 120.51 118.26 1pd7 n ALA 83 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pd7 n ALA 83 Cb 0.03 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -3.02 0.00 0.00 0.00 4.81 -1.26 -5.27 118.16 113.42 1pd7 n LYS 84 Ca -0.01 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.59 1pd7 n LYS 84 Cb 0.03 0.00 0.86 0.00 0.02 0.00 0.00 35.03 35.94 1pd7 n LYS 84 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44