#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 0.02 -0.43 4.31 0.01 -1.26 -5.13 113.70 111.23 1pd7 s SER 2 Ca 0.00 0.32 -0.14 0.00 1.31 0.00 0.00 55.95 57.45 1pd7 s SER 2 Cb 0.00 1.26 0.05 0.00 0.21 0.00 0.00 66.02 67.54 1pd7 s SER 2 CO 0.00 -0.29 0.31 -1.81 0.41 0.00 0.00 173.24 171.85 1pd7 s ASP 3 N 2.59 5.98 -0.40 2.44 1.01 -1.26 -4.98 116.67 122.05 1pd7 s ASP 3 Ca 0.14 -1.15 0.03 0.00 0.71 0.00 0.00 52.55 52.27 1pd7 s ASP 3 Cb -0.15 -2.12 0.16 0.00 1.01 0.00 0.00 42.92 41.82 1pd7 s ASP 3 CO -0.16 -0.52 0.36 -0.44 0.21 0.00 0.00 175.17 174.62 1pd7 s SER 4 N 2.03 1.38 -0.08 0.27 0.01 -1.26 -4.96 113.70 111.09 1pd7 s SER 4 Ca 0.04 -2.28 -0.21 0.00 1.31 0.00 0.00 55.95 54.80 1pd7 s SER 4 Cb -0.21 0.13 -0.29 0.00 0.21 0.00 0.00 66.02 65.85 1pd7 s SER 4 CO 0.07 -0.22 0.77 0.58 0.41 0.00 0.00 173.24 174.85 1pd7 h VAL 5 N 4.88 1.41 0.00 3.43 2.07 -2.01 -3.35 116.25 122.68 1pd7 h VAL 5 Ca 0.13 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1pd7 h VAL 5 Cb 0.99 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1pd7 h VAL 5 CO 0.25 0.68 0.00 -0.33 0.02 0.00 0.00 177.57 178.19 1pd7 h GLU 6 N -0.47 0.00 -0.47 1.57 5.08 -1.98 -0.78 114.58 117.52 1pd7 h GLU 6 Ca -0.17 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1pd7 h GLU 6 Cb 1.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.76 1pd7 h GLU 6 CO 0.09 0.00 0.11 0.35 -1.00 0.00 0.00 179.01 178.56 1pd7 h PHE 7 N 0.00 0.17 0.00 4.33 3.57 -1.97 -0.22 116.94 122.82 1pd7 h PHE 7 Ca 0.00 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1pd7 h PHE 7 Cb 0.46 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1pd7 h PHE 7 CO 0.00 0.02 -0.63 -0.91 -2.23 0.00 0.00 178.31 174.56 1pd7 h ASN 8 N 0.25 0.00 0.25 0.41 4.21 -1.33 0.13 115.58 119.50 1pd7 h ASN 8 Ca 0.23 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.60 1pd7 h ASN 8 Cb 0.29 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1pd7 h ASN 8 CO -0.29 0.63 -0.53 0.78 -1.29 0.00 0.00 177.43 176.72 1pd7 h ASN 9 N 0.00 0.35 -0.29 5.81 2.35 -1.26 0.46 115.58 123.00 1pd7 h ASN 9 Ca -0.01 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1pd7 h ASN 9 Cb 1.25 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1pd7 h ASN 9 CO 0.08 0.82 -0.04 0.00 -1.65 0.00 0.00 177.43 176.64 1pd7 h ALA 10 N 1.19 0.40 -0.04 -0.83 0.00 -0.44 -2.91 119.26 116.62 1pd7 h ALA 10 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1pd7 h ALA 10 Cb 1.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1pd7 h ALA 10 CO 0.09 0.19 -0.17 0.82 0.00 0.00 0.00 179.25 180.18 1pd7 h ILE 11 N 0.32 0.58 -0.86 0.00 1.08 -0.56 -2.50 117.51 115.57 1pd7 h ILE 11 Ca 0.08 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.65 1pd7 h ILE 11 Cb 0.51 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.78 1pd7 h ILE 11 CO 0.02 0.00 0.56 0.28 -0.69 0.00 0.00 178.15 178.32 1pd7 h SER 12 N -0.25 0.74 0.23 1.72 0.02 -0.95 0.30 113.55 115.36 1pd7 h SER 12 Ca 0.07 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pd7 h SER 12 Cb 0.34 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1pd7 h SER 12 CO -0.19 0.43 -0.11 0.22 -1.14 0.00 0.00 176.83 176.04 1pd7 h TYR 13 N 0.82 -0.29 -0.82 3.45 3.20 -1.30 -0.40 116.97 121.63 1pd7 h TYR 13 Ca 0.40 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1pd7 h TYR 13 Cb 0.44 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1pd7 h TYR 13 CO -0.00 0.01 0.47 0.28 -1.64 0.00 0.00 178.16 177.27 1pd7 h VAL 14 N -0.59 1.24 -0.71 1.81 2.07 -0.97 -1.67 116.25 117.43 1pd7 h VAL 14 Ca -0.03 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1pd7 h VAL 14 Cb 0.43 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1pd7 h VAL 14 CO 0.05 0.26 0.47 -1.13 0.02 0.00 0.00 177.57 177.24 1pd7 h ASN 15 N 1.15 0.81 -0.53 0.57 -1.24 -0.41 0.28 115.58 116.20 1pd7 h ASN 15 Ca 0.29 -0.02 0.06 0.00 0.71 0.00 0.00 56.30 57.34 1pd7 h ASN 15 Cb 0.00 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 38.80 1pd7 h ASN 15 CO -0.05 0.58 0.25 0.50 -1.29 0.00 0.00 177.43 177.42 1pd7 h LYS 16 N 0.96 0.46 0.23 6.67 3.64 -0.44 -0.26 116.57 127.82 1pd7 h LYS 16 Ca 0.26 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1pd7 h LYS 16 Cb -0.10 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1pd7 h LYS 16 CO -0.06 0.31 -0.13 0.82 -2.27 0.00 0.00 179.45 178.11 1pd7 h ILE 17 N 0.48 0.72 -0.71 2.00 2.04 -1.11 -2.02 117.51 118.90 1pd7 h ILE 17 Ca 0.24 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 1pd7 h ILE 17 Cb 0.19 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1pd7 h ILE 17 CO -0.19 0.00 0.42 0.07 0.00 0.00 0.00 178.15 178.45 1pd7 h LYS 18 N -0.34 0.96 -0.19 2.37 5.09 -0.15 -0.58 116.57 123.73 1pd7 h LYS 18 Ca -0.02 -0.09 -0.20 0.00 0.09 0.00 0.00 60.65 60.43 1pd7 h LYS 18 Cb 0.28 -0.20 0.01 0.00 0.10 0.00 0.00 32.23 32.42 1pd7 h LYS 18 CO 0.03 0.68 -0.64 1.15 -2.09 0.00 0.00 179.45 178.58 1pd7 h THR 19 N 0.98 1.29 0.00 0.07 2.02 -1.03 -3.35 112.91 112.89 1pd7 h THR 19 Ca 0.26 -1.85 -0.21 0.00 0.77 0.00 0.00 66.41 65.37 1pd7 h THR 19 Cb -0.03 1.90 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1pd7 h THR 19 CO -0.05 0.59 -1.46 -0.09 0.37 0.00 0.00 175.52 174.88 1pd7 h ARG 20 N 0.50 0.00 -2.04 6.66 2.43 -1.13 -3.33 114.38 117.47 1pd7 h ARG 20 Ca -0.03 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.76 1pd7 h ARG 20 Cb 1.27 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.69 1pd7 h ARG 20 CO 0.14 0.40 0.20 1.19 -1.51 0.00 0.00 179.97 180.39 1pd7 n PHE 21 N -2.98 0.99 0.06 2.20 3.72 -0.25 -4.32 117.46 116.89 1pd7 n PHE 21 Ca -0.11 -1.81 -0.15 0.00 -0.05 0.00 0.00 57.45 55.33 1pd7 n PHE 21 Cb 0.92 -1.51 -0.14 0.00 -0.94 0.00 0.00 39.48 37.81 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 4.48 0.32 -0.38 4.37 3.38 -1.69 -3.21 115.31 122.57 1pd7 h LEU 22 Ca 0.33 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1pd7 h LEU 22 Cb 1.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1pd7 h LEU 22 CO 0.65 1.34 0.00 -0.90 0.09 0.00 0.00 178.44 179.62 1pd7 n ASP 23 N -3.42 0.68 -3.34 -0.43 5.75 -1.26 -4.02 116.55 110.50 1pd7 n ASP 23 Ca -0.13 0.62 -0.26 0.00 -0.01 0.00 0.00 54.79 55.01 1pd7 n ASP 23 Cb 1.03 -0.78 -0.08 0.00 -1.03 0.00 0.00 41.12 40.26 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1pd7 n HIS 24 N -2.20 2.10 1.15 2.11 8.25 -1.22 -4.95 115.22 120.45 1pd7 n HIS 24 Ca 0.04 -3.93 0.12 0.00 -0.26 0.00 0.00 57.72 53.68 1pd7 n HIS 24 Cb 0.31 -0.47 0.60 0.00 1.12 0.00 0.00 29.99 31.55 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 1.10 0.37 0.19 -0.41 -0.04 -1.21 -2.60 135.00 132.39 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 0.45 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.59 0.54 4.11 -1.92 -3.06 114.58 113.65 1pd7 h GLU 26 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1pd7 h GLU 26 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1pd7 h GLU 26 CO 0.00 0.36 0.03 0.82 0.07 0.00 0.00 179.01 180.29 1pd7 h ILE 27 N 0.00 1.26 -0.92 -1.06 1.08 -1.85 -2.23 117.51 113.79 1pd7 h ILE 27 Ca -0.00 -1.08 0.14 0.00 -0.39 0.00 0.00 64.86 63.52 1pd7 h ILE 27 Cb 0.87 0.77 -0.07 0.00 -3.07 0.00 0.00 36.82 35.31 1pd7 h ILE 27 CO 0.05 0.39 0.59 0.22 -0.69 0.00 0.00 178.15 178.71 1pd7 h TYR 28 N 0.93 0.91 0.02 1.37 3.20 -1.72 -0.33 116.97 121.35 1pd7 h TYR 28 Ca 0.18 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1pd7 h TYR 28 Cb 0.50 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1pd7 h TYR 28 CO 0.03 0.34 -0.01 -0.09 -1.64 0.00 0.00 178.16 176.79 1pd7 h ARG 29 N 0.77 -0.03 0.00 1.82 9.65 -1.68 -3.38 114.38 121.53 1pd7 h ARG 29 Ca 0.46 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.31 1pd7 h ARG 29 Cb 0.66 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1pd7 h ARG 29 CO -0.23 0.43 -0.17 0.66 2.80 0.00 0.00 179.97 183.47 1pd7 h SER 30 N -0.99 0.00 -0.32 -3.80 4.64 -0.84 -1.25 113.55 110.99 1pd7 h SER 30 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1pd7 h SER 30 Cb 0.48 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.49 1pd7 h SER 30 CO 0.01 0.17 -0.16 0.15 -0.87 0.00 0.00 176.83 176.12 1pd7 h PHE 31 N 0.00 -0.40 -0.24 4.77 3.57 -1.30 -2.39 116.94 120.95 1pd7 h PHE 31 Ca -0.00 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.36 1pd7 h PHE 31 Cb 0.76 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1pd7 h PHE 31 CO 0.00 -0.24 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.22 1pd7 h LEU 32 N -0.12 0.82 -1.31 0.59 3.38 -1.44 -2.94 115.31 114.30 1pd7 h LEU 32 Ca 0.16 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.83 1pd7 h LEU 32 Cb 0.37 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1pd7 h LEU 32 CO -0.39 1.21 0.57 -0.33 0.09 0.00 0.00 178.44 179.58 1pd7 h GLU 33 N 0.56 0.65 -0.38 1.13 4.39 -1.27 0.32 114.58 119.99 1pd7 h GLU 33 Ca 0.01 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1pd7 h GLU 33 Cb 1.14 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1pd7 h GLU 33 CO 0.12 0.43 -0.17 0.82 -1.16 0.00 0.00 179.01 179.05 1pd7 h ILE 34 N 0.67 1.28 0.00 3.13 2.04 -1.27 -2.91 117.51 120.45 1pd7 h ILE 34 Ca 0.44 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1pd7 h ILE 34 Cb 0.73 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1pd7 h ILE 34 CO -0.20 0.43 0.00 -0.07 0.00 0.00 0.00 178.15 178.31 1pd7 h LEU 35 N 0.58 0.00 -1.09 1.44 3.38 -1.08 -2.55 115.31 115.99 1pd7 h LEU 35 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1pd7 h LEU 35 Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1pd7 h LEU 35 CO 0.05 0.00 0.48 0.45 0.09 0.00 0.00 178.44 179.52 1pd7 h HIS 36 N 0.00 1.07 -0.86 1.13 3.86 -0.21 0.39 115.15 120.54 1pd7 h HIS 36 Ca 0.00 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.36 1pd7 h HIS 36 Cb 0.52 -0.35 -0.10 0.00 1.06 0.00 0.00 27.41 28.54 1pd7 h HIS 36 CO 0.00 0.72 0.44 1.15 0.86 0.00 0.00 177.93 181.10 1pd7 h THR 37 N 1.12 0.71 0.53 2.45 2.02 -1.37 -0.73 112.91 117.64 1pd7 h THR 37 Ca 0.29 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1pd7 h THR 37 Cb -0.04 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1pd7 h THR 37 CO -0.05 0.11 -0.26 0.22 0.37 0.00 0.00 175.52 175.91 1pd7 h TYR 38 N 0.61 -0.66 0.00 3.16 5.03 -1.45 -3.38 116.97 120.28 1pd7 h TYR 38 Ca 0.47 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.77 1pd7 h TYR 38 Cb 0.69 0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1pd7 h TYR 38 CO -0.09 -0.36 0.00 0.37 -1.32 0.00 0.00 178.16 176.75 1pd7 h GLN 39 N -1.12 0.00 -1.08 1.82 -0.00 -0.76 -3.37 115.11 110.61 1pd7 h GLN 39 Ca -0.07 0.00 0.42 0.00 -0.00 0.00 0.00 58.65 59.00 1pd7 h GLN 39 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 27.48 27.91 1pd7 h GLN 39 CO 0.12 0.00 0.62 -0.22 0.00 0.00 0.00 178.83 179.35 1pd7 h LYS 40 N 0.00 0.04 -0.12 1.69 3.64 -1.31 0.33 116.57 120.85 1pd7 h LYS 40 Ca 0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1pd7 h LYS 40 Cb 0.71 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1pd7 h LYS 40 CO 0.00 0.02 0.10 1.05 -2.27 0.00 0.00 179.45 178.36 1pd7 h GLU 41 N 0.04 0.00 0.00 1.90 4.11 -1.87 -3.47 114.58 115.30 1pd7 h GLU 41 Ca 0.84 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.27 1pd7 h GLU 41 Cb 2.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1pd7 h GLU 41 CO -0.69 0.00 0.00 0.94 0.07 0.00 0.00 179.01 179.33 1pd7 n GLN 42 N -4.17 -0.92 -1.46 1.06 -0.06 0.12 -4.30 117.38 107.65 1pd7 n GLN 42 Ca -0.00 0.23 -0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1pd7 n GLN 42 Cb 0.22 -3.99 -0.00 0.00 -4.06 0.00 0.00 30.24 22.41 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1pd7 n LEU 43 N 0.00 -3.54 -3.57 1.69 4.77 -1.26 -5.04 117.00 110.04 1pd7 n LEU 43 Ca 0.00 0.95 -0.27 0.00 -0.03 0.00 0.00 56.01 56.66 1pd7 n LEU 43 Cb 0.23 -1.75 -0.10 0.00 -2.33 0.00 0.00 43.42 39.47 1pd7 n LEU 43 CO 0.00 -0.98 -0.11 1.57 -1.33 0.00 0.00 177.39 176.54 1pd7 n HIS 44 N 0.61 1.91 -1.80 -1.77 -0.00 -1.26 -5.11 115.22 107.79 1pd7 n HIS 44 Ca -0.00 -3.94 0.00 0.00 0.46 0.00 0.00 57.72 54.23 1pd7 n HIS 44 Cb 0.01 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 29.51 1pd7 n HIS 44 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1pd7 n THR 45 N 1.80 0.00 -4.64 3.57 5.66 -1.26 -4.58 114.28 114.83 1pd7 n THR 45 Ca 0.25 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 61.01 1pd7 n THR 45 Cb 0.42 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.04 1pd7 n THR 45 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1pd7 s LYS 46 N 0.00 1.48 0.00 1.09 1.02 -1.26 -5.04 119.74 117.03 1pd7 s LYS 46 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1pd7 s LYS 46 Cb 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1pd7 s LYS 46 CO 0.00 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1pd7 n GLY 47 N 3.28 -2.16 3.83 -3.33 0.00 -1.26 -5.15 105.19 100.40 1pd7 n GLY 47 Ca -0.19 0.76 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 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 2.78 0.32 1.61 1.70 -1.26 -5.09 118.95 119.01 1pd7 s ARG 48 Ca 0.00 -1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 53.77 1pd7 s ARG 48 Cb 0.00 -2.49 -0.10 0.00 -0.57 0.00 0.00 34.95 31.79 1pd7 s ARG 48 CO 0.00 0.25 1.38 -2.14 -1.08 0.00 0.00 175.30 173.71 1pd7 s PRO 49 N -3.90 4.28 0.00 3.89 0.02 -1.26 -5.04 135.00 132.99 1pd7 s PRO 49 Ca 0.37 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1pd7 s PRO 49 Cb -0.07 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1pd7 s PRO 49 CO 0.25 -0.32 0.00 1.19 -0.33 0.00 0.00 177.00 177.79 1pd7 n PHE 50 N 1.13 -0.27 0.22 6.54 3.01 -1.26 -5.04 117.46 121.79 1pd7 n PHE 50 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.58 1pd7 n PHE 50 Cb 0.41 0.00 0.41 0.00 -0.01 0.00 0.00 39.48 40.29 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pd7 h ARG 51 N 0.00 0.00 -7.27 -1.08 2.47 -1.93 -3.45 114.38 103.12 1pd7 h ARG 51 Ca 0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 1pd7 h ARG 51 Cb 0.00 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 28.42 1pd7 h ARG 51 CO 0.00 0.19 0.36 0.20 0.56 0.00 0.00 179.97 181.28 1pd7 s GLY 52 N -4.28 1.88 0.00 0.04 0.00 -1.26 -4.87 107.32 98.83 1pd7 s GLY 52 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1pd7 s GLY 52 CO 0.64 0.65 0.00 1.15 0.00 0.00 0.00 173.10 175.54 1pd7 n MET 53 N -2.86 3.02 -4.33 2.90 0.00 -1.26 -5.07 117.12 109.52 1pd7 n MET 53 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.47 1pd7 n MET 53 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.65 1pd7 n MET 53 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1pd7 s SER 54 N 1.00 4.80 0.63 3.17 1.04 -1.26 -5.02 113.70 118.06 1pd7 s SER 54 Ca 0.00 -0.14 0.36 0.00 0.48 0.00 0.00 55.95 56.65 1pd7 s SER 54 Cb 0.00 -1.14 2.04 0.00 0.10 0.00 0.00 66.02 67.03 1pd7 s SER 54 CO 0.00 0.25 2.24 1.05 0.98 0.00 0.00 173.24 177.76 1pd7 h GLU 55 N 4.18 0.00 -0.77 4.02 9.09 -2.01 -2.12 114.58 126.97 1pd7 h GLU 55 Ca -0.48 0.00 0.01 0.00 0.05 0.00 0.00 59.36 58.94 1pd7 h GLU 55 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.23 1pd7 h GLU 55 CO 0.56 0.00 0.51 1.05 0.05 0.00 0.00 179.01 181.17 1pd7 h GLU 56 N 0.00 0.99 0.06 1.06 4.11 -1.99 -2.92 114.58 115.89 1pd7 h GLU 56 Ca 0.02 -0.06 -0.28 0.00 0.07 0.00 0.00 59.36 59.11 1pd7 h GLU 56 Cb 0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1pd7 h GLU 56 CO -0.00 0.65 -1.46 1.05 0.07 0.00 0.00 179.01 179.33 1pd7 h GLU 57 N 1.02 0.13 -0.20 1.06 4.11 -1.80 0.23 114.58 119.13 1pd7 h GLU 57 Ca 0.29 -0.22 -0.13 0.00 0.07 0.00 0.00 59.36 59.37 1pd7 h GLU 57 Cb -0.09 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pd7 h GLU 57 CO -0.07 0.94 -0.43 -0.24 0.07 0.00 0.00 179.01 179.28 1pd7 h VAL 58 N 0.03 1.31 0.66 -1.06 3.04 -1.66 -0.56 116.25 118.01 1pd7 h VAL 58 Ca -0.20 -1.61 -0.03 0.00 -1.01 0.00 0.00 66.70 63.84 1pd7 h VAL 58 Cb 1.96 1.63 0.01 0.00 -2.01 0.00 0.00 31.29 32.87 1pd7 h VAL 58 CO 0.13 0.50 -0.32 0.15 -1.01 0.00 0.00 177.57 177.03 1pd7 h PHE 59 N 0.39 -0.82 -0.87 3.17 3.57 -1.54 -3.13 116.94 117.71 1pd7 h PHE 59 Ca 0.03 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.70 1pd7 h PHE 59 Cb 0.92 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 1pd7 h PHE 59 CO 0.03 -0.51 0.40 0.00 -2.23 0.00 0.00 178.31 176.00 1pd7 h THR 60 N -0.89 0.57 -0.02 4.41 1.03 -0.21 -1.23 112.91 116.57 1pd7 h THR 60 Ca -0.09 -0.16 -0.03 0.00 -0.01 0.00 0.00 66.41 66.12 1pd7 h THR 60 Cb 0.68 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1pd7 h THR 60 CO 0.15 0.09 -0.11 -0.33 -0.01 0.00 0.00 175.52 175.30 1pd7 h GLU 61 N 0.47 0.10 -0.64 0.00 5.08 -1.24 -3.25 114.58 115.11 1pd7 h GLU 61 Ca 0.51 -0.09 0.18 0.00 -1.00 0.00 0.00 59.36 58.97 1pd7 h GLU 61 Cb 0.89 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1pd7 h GLU 61 CO -0.47 0.78 0.46 0.28 -1.00 0.00 0.00 179.01 179.07 1pd7 h VAL 62 N -0.55 0.67 -0.15 3.13 2.07 -1.41 -1.14 116.25 118.87 1pd7 h VAL 62 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1pd7 h VAL 62 Cb 0.81 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1pd7 h VAL 62 CO 0.02 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.51 1pd7 h ALA 63 N 1.67 1.55 -0.09 1.67 0.00 -1.26 -1.97 119.26 120.82 1pd7 h ALA 63 Ca 0.30 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1pd7 h ALA 63 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pd7 h ALA 63 CO -0.00 0.32 -0.76 -0.91 0.00 0.00 0.00 179.25 177.90 1pd7 h ASN 64 N 0.23 0.62 -0.56 0.00 2.35 -1.31 -3.01 115.58 113.91 1pd7 h ASN 64 Ca 0.05 -0.41 -0.07 0.00 -0.55 0.00 0.00 56.30 55.32 1pd7 h ASN 64 Cb 0.33 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1pd7 h ASN 64 CO 0.02 1.17 0.11 -0.07 -1.65 0.00 0.00 177.43 177.01 1pd7 h LEU 65 N 0.35 0.90 -1.41 1.61 4.07 -1.41 -3.14 115.31 116.28 1pd7 h LEU 65 Ca -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1pd7 h LEU 65 Cb 1.36 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1pd7 h LEU 65 CO 0.14 0.90 -0.12 0.49 -1.08 0.00 0.00 178.44 178.77 1pd7 n PHE 66 N -4.24 0.00 -1.68 1.13 3.01 -0.87 -5.02 117.46 109.79 1pd7 n PHE 66 Ca 0.04 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.05 1pd7 n PHE 66 Cb 0.27 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 1pd7 n PHE 66 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1pd7 n ARG 67 N 0.64 2.23 0.00 -1.08 -4.01 -1.14 -1.36 116.66 111.95 1pd7 n ARG 67 Ca 0.14 0.80 0.00 0.00 -1.04 0.00 0.00 57.85 57.75 1pd7 n ARG 67 Cb 0.50 -2.55 0.00 0.00 -3.04 0.00 0.00 32.46 27.37 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pd7 n GLY 68 N 3.06 3.24 3.40 2.89 0.00 -1.26 -5.02 105.19 111.49 1pd7 n GLY 68 Ca 0.15 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 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 3.06 0.19 1.61 -0.21 -0.46 -4.87 119.66 118.99 1pd7 s GLN 69 Ca 0.00 -1.18 0.10 0.00 0.02 0.00 0.00 55.36 54.30 1pd7 s GLN 69 Cb 0.00 -4.25 -0.08 0.00 1.00 0.00 0.00 33.01 29.68 1pd7 s GLN 69 CO 0.00 -1.60 1.36 1.05 -2.12 0.00 0.00 175.29 173.98 1pd7 h GLU 70 N 9.27 0.00 0.00 2.91 4.11 -1.96 -3.34 114.58 125.58 1pd7 h GLU 70 Ca -0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.09 1pd7 h GLU 70 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1pd7 h GLU 70 CO 1.12 0.78 -0.21 0.38 0.07 0.00 0.00 179.01 181.15 1pd7 h ASP 71 N 0.00 0.00 0.29 3.06 3.04 -1.97 -2.13 116.42 118.71 1pd7 h ASP 71 Ca -0.01 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.64 1pd7 h ASP 71 Cb 1.59 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.87 1pd7 h ASP 71 CO 0.10 0.21 -0.55 -0.07 -2.04 0.00 0.00 179.24 176.89 1pd7 h LEU 72 N 0.00 0.31 -0.69 0.15 3.38 -1.97 -2.64 115.31 113.85 1pd7 h LEU 72 Ca -0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1pd7 h LEU 72 Cb 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1pd7 h LEU 72 CO 0.03 0.80 -0.21 -0.07 0.09 0.00 0.00 178.44 179.07 1pd7 h LEU 73 N 0.22 0.00 -0.49 1.67 -0.00 -1.59 -2.16 115.31 112.96 1pd7 h LEU 73 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.75 1pd7 h LEU 73 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1pd7 h LEU 73 CO 0.09 0.21 -0.24 0.28 -0.00 0.00 0.00 178.44 178.78 1pd7 h SER 74 N 0.00 1.02 1.73 -0.43 0.02 -1.16 -0.39 113.55 114.34 1pd7 h SER 74 Ca -0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1pd7 h SER 74 Cb 0.91 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1pd7 h SER 74 CO 0.03 1.20 0.00 -0.33 -1.14 0.00 0.00 176.83 176.59 1pd7 h GLU 75 N 0.85 0.00 0.00 3.45 5.08 -1.38 -2.43 114.58 120.15 1pd7 h GLU 75 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1pd7 h GLU 75 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1pd7 h GLU 75 CO 0.07 0.00 -0.51 0.35 -1.00 0.00 0.00 179.01 177.92 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.08 -3.29 116.94 120.46 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 0.87 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1pd7 h PHE 76 CO 0.00 0.51 0.00 0.78 -2.23 0.00 0.00 178.31 177.37 1pd7 h GLY 77 N 1.54 0.00 0.52 2.40 0.00 -0.55 -2.75 103.07 104.22 1pd7 h GLY 77 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.43 1pd7 h GLY 77 CO 0.07 0.00 0.63 1.46 0.00 0.00 0.00 176.54 178.70 1pd7 h GLN 78 N 0.00 1.00 0.07 4.80 1.08 -1.67 -2.96 115.11 117.43 1pd7 h GLN 78 Ca 0.00 -0.06 -0.36 0.00 -1.45 0.00 0.00 58.65 56.78 1pd7 h GLN 78 Cb 0.01 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.18 1pd7 h GLN 78 CO 0.00 0.66 -2.11 0.34 -0.95 0.00 0.00 178.83 176.77 1pd7 n PHE 79 N -4.60 0.84 -3.56 2.96 7.35 -1.07 -5.03 117.46 114.35 1pd7 n PHE 79 Ca 0.18 0.20 -0.34 0.00 -0.76 0.00 0.00 57.45 56.73 1pd7 n PHE 79 Cb 0.32 -1.12 -0.05 0.00 0.35 0.00 0.00 39.48 38.98 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 -6.70 4.32 0.54 -2.13 1.43 -1.06 -5.03 118.68 110.05 1pd7 s LEU 80 Ca -0.23 0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 1pd7 s LEU 80 Cb 0.07 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1pd7 s LEU 80 CO 0.74 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 176.39 1pd7 s PRO 81 N -2.11 3.40 0.00 1.29 0.04 -1.26 -4.45 135.00 131.90 1pd7 s PRO 81 Ca 0.36 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1pd7 s PRO 81 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1pd7 s PRO 81 CO 0.19 -0.80 0.15 0.39 0.04 0.00 0.00 177.00 176.97 1pd7 n GLU 82 N -1.35 0.00 0.09 4.56 1.02 -1.26 -4.98 120.64 118.71 1pd7 n GLU 82 Ca 0.11 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1pd7 n GLU 82 Cb 0.51 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pd7 n ALA 83 N -1.32 0.95 -2.07 0.62 0.00 -1.26 -5.05 120.51 112.38 1pd7 n ALA 83 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1pd7 n ALA 83 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1pd7 n ALA 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pd7 n LYS 84 N -2.92 -0.93 -0.44 0.00 5.02 -1.26 -5.32 118.16 112.31 1pd7 n LYS 84 Ca 0.00 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1pd7 n LYS 84 Cb 0.00 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42