#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 -0.79 -0.19 1.62 1.04 -1.26 -5.04 113.70 109.08 1pd7 s SER 2 Ca 0.00 1.38 -0.18 0.00 0.48 0.00 0.00 55.95 57.63 1pd7 s SER 2 Cb 0.00 1.32 -0.20 0.00 0.10 0.00 0.00 66.02 67.24 1pd7 s SER 2 CO 0.00 -0.23 0.20 -0.67 0.98 0.00 0.00 173.24 173.52 1pd7 n ASP 3 N 3.56 1.93 -2.41 7.02 2.03 -1.26 -5.05 116.55 122.36 1pd7 n ASP 3 Ca -0.17 0.36 -0.03 0.00 0.52 0.00 0.00 54.79 55.47 1pd7 n ASP 3 Cb 0.57 -0.93 0.01 0.00 -0.72 0.00 0.00 41.12 40.05 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1pd7 n SER 4 N -4.20 -5.06 0.04 1.67 7.64 -1.26 -4.95 113.62 107.49 1pd7 n SER 4 Ca -0.34 -0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.27 1pd7 n SER 4 Cb 0.78 -3.34 -0.09 0.00 -1.01 0.00 0.00 64.21 60.55 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 -0.00 1.13 0.00 0.44 2.07 -1.99 -2.83 116.25 115.07 1pd7 h VAL 5 Ca -0.10 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1pd7 h VAL 5 Cb 1.05 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1pd7 h VAL 5 CO 0.19 0.21 -0.14 1.05 0.02 0.00 0.00 177.57 178.90 1pd7 h GLU 6 N -0.51 0.00 -0.60 1.57 4.11 -1.99 -0.90 114.58 116.27 1pd7 h GLU 6 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 1pd7 h GLU 6 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1pd7 h GLU 6 CO 0.02 0.14 0.03 0.35 0.07 0.00 0.00 179.01 179.61 1pd7 h PHE 7 N 0.00 1.10 0.00 2.06 3.04 -1.92 -2.53 116.94 118.69 1pd7 h PHE 7 Ca -0.00 -0.17 -0.05 0.00 3.98 0.00 0.00 57.97 61.73 1pd7 h PHE 7 Cb 0.34 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1pd7 h PHE 7 CO 0.00 0.96 -0.22 -0.91 -2.02 0.00 0.00 178.31 176.12 1pd7 h ASN 8 N 0.94 0.00 0.77 0.41 2.35 -0.94 -1.54 115.58 117.57 1pd7 h ASN 8 Ca 0.17 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1pd7 h ASN 8 Cb 0.51 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1pd7 h ASN 8 CO 0.02 0.22 -0.64 0.78 -1.65 0.00 0.00 177.43 176.17 1pd7 h ASN 9 N 0.00 0.00 -0.32 5.81 2.35 -1.13 0.19 115.58 122.48 1pd7 h ASN 9 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1pd7 h ASN 9 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1pd7 h ASN 9 CO 0.03 0.64 -0.24 0.00 -1.65 0.00 0.00 177.43 176.21 1pd7 h ALA 10 N 1.36 0.45 -0.13 -0.83 0.00 -0.91 -2.88 119.26 116.32 1pd7 h ALA 10 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1pd7 h ALA 10 Cb 1.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1pd7 h ALA 10 CO 0.08 0.43 -0.05 0.82 0.00 0.00 0.00 179.25 180.53 1pd7 h ILE 11 N 0.48 0.82 -0.45 0.00 1.08 -1.15 -2.43 117.51 115.87 1pd7 h ILE 11 Ca 0.06 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1pd7 h ILE 11 Cb 0.79 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1pd7 h ILE 11 CO 0.06 0.00 0.24 0.77 -0.69 0.00 0.00 178.15 178.53 1pd7 h SER 12 N -0.03 0.54 -0.02 1.72 4.64 -1.00 0.21 113.55 119.61 1pd7 h SER 12 Ca 0.07 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1pd7 h SER 12 Cb 0.13 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pd7 h SER 12 CO -0.15 0.45 0.00 0.22 -0.87 0.00 0.00 176.83 176.47 1pd7 h TYR 13 N 0.62 0.04 -0.66 4.77 3.20 -1.34 -1.73 116.97 121.86 1pd7 h TYR 13 Ca 0.16 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1pd7 h TYR 13 Cb 0.03 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1pd7 h TYR 13 CO 0.00 0.32 0.41 0.28 -1.64 0.00 0.00 178.16 177.53 1pd7 h VAL 14 N -0.25 1.08 -0.74 1.81 2.07 -0.95 -1.06 116.25 118.21 1pd7 h VAL 14 Ca 0.01 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.37 1pd7 h VAL 14 Cb 0.31 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1pd7 h VAL 14 CO 0.00 0.15 0.35 -1.13 0.02 0.00 0.00 177.57 176.96 1pd7 h ASN 15 N 0.80 0.41 -0.33 0.57 -0.73 -0.59 0.31 115.58 116.02 1pd7 h ASN 15 Ca 0.26 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.51 1pd7 h ASN 15 Cb 0.02 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 1pd7 h ASN 15 CO -0.11 0.21 0.21 0.11 -0.37 0.00 0.00 177.43 177.48 1pd7 h LYS 16 N 0.56 0.45 -0.58 6.67 1.57 -0.52 -1.80 116.57 122.91 1pd7 h LYS 16 Ca 0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1pd7 h LYS 16 Cb 0.49 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1pd7 h LYS 16 CO -0.32 0.32 0.37 0.82 -0.57 0.00 0.00 179.45 180.06 1pd7 h ILE 17 N 0.44 1.16 -0.38 1.86 2.04 -0.68 0.76 117.51 122.71 1pd7 h ILE 17 Ca 0.12 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1pd7 h ILE 17 Cb -0.02 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1pd7 h ILE 17 CO -0.02 0.16 0.10 0.11 0.00 0.00 0.00 178.15 178.50 1pd7 h LYS 18 N 0.79 0.22 0.00 2.37 1.57 -0.30 0.20 116.57 121.43 1pd7 h LYS 18 Ca 0.21 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1pd7 h LYS 18 Cb -0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1pd7 h LYS 18 CO -0.04 0.15 -0.21 1.15 -0.57 0.00 0.00 179.45 179.92 1pd7 h THR 19 N 0.23 0.49 0.18 -0.16 2.02 -0.92 -3.11 112.91 111.65 1pd7 h THR 19 Ca 0.18 -1.15 -0.29 0.00 0.77 0.00 0.00 66.41 65.92 1pd7 h THR 19 Cb 0.19 1.82 0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1pd7 h THR 19 CO -0.22 0.21 -1.33 0.03 0.37 0.00 0.00 175.52 174.58 1pd7 h ARG 20 N 0.00 0.39 -1.97 6.66 2.47 -0.54 -3.38 114.38 118.00 1pd7 h ARG 20 Ca -0.00 -0.67 -0.28 0.00 -1.26 0.00 0.00 59.98 57.77 1pd7 h ARG 20 Cb 0.80 0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 29.27 1pd7 h ARG 20 CO 0.03 1.32 -0.07 1.19 0.56 0.00 0.00 179.97 183.00 1pd7 n PHE 21 N -3.85 0.58 0.10 3.04 3.72 0.68 -3.91 117.46 117.81 1pd7 n PHE 21 Ca -0.19 -1.62 -0.19 0.00 -0.05 0.00 0.00 57.45 55.40 1pd7 n PHE 21 Cb 0.98 -1.40 -0.12 0.00 -0.94 0.00 0.00 39.48 38.00 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 4.35 0.67 -0.81 4.37 3.38 -1.75 -3.09 115.31 122.43 1pd7 h LEU 22 Ca 0.24 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1pd7 h LEU 22 Cb 1.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1pd7 h LEU 22 CO 0.44 1.48 0.00 0.44 0.09 0.00 0.00 178.44 180.89 1pd7 h ASP 23 N 0.18 0.00 -2.12 -0.43 3.32 -1.93 -3.39 116.42 112.04 1pd7 h ASP 23 Ca -0.16 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.33 1pd7 h ASP 23 Cb 1.92 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.07 1pd7 h ASP 23 CO 0.22 0.00 -0.89 1.41 -1.72 0.00 0.00 179.24 178.26 1pd7 n HIS 24 N -2.67 1.89 0.25 4.55 8.25 -1.17 -4.92 115.22 121.40 1pd7 n HIS 24 Ca 0.02 -3.89 0.14 0.00 -0.26 0.00 0.00 57.72 53.73 1pd7 n HIS 24 Cb 0.32 -0.45 0.58 0.00 1.12 0.00 0.00 29.99 31.56 1pd7 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1pd7 h PRO 25 N 3.48 0.00 -0.31 -0.41 0.13 -1.78 -2.96 132.00 130.15 1pd7 h PRO 25 Ca 0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 1pd7 h PRO 25 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1pd7 h PRO 25 CO 0.65 0.11 -0.05 1.05 -0.23 0.00 0.00 178.00 179.53 1pd7 h GLU 26 N 0.00 0.50 0.00 0.86 9.09 -1.91 -2.92 114.58 120.20 1pd7 h GLU 26 Ca -0.00 -0.12 -0.04 0.00 0.05 0.00 0.00 59.36 59.25 1pd7 h GLU 26 Cb 0.61 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 1pd7 h GLU 26 CO 0.01 0.57 -0.17 0.82 0.05 0.00 0.00 179.01 180.29 1pd7 h ILE 27 N 0.47 0.43 0.00 -1.06 2.04 -1.92 -2.67 117.51 114.80 1pd7 h ILE 27 Ca 0.10 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1pd7 h ILE 27 Cb 0.39 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1pd7 h ILE 27 CO 0.02 0.16 -0.04 0.22 0.00 0.00 0.00 178.15 178.51 1pd7 h TYR 28 N 0.00 0.00 0.00 1.37 3.20 -1.62 0.92 116.97 120.84 1pd7 h TYR 28 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1pd7 h TYR 28 Cb 0.67 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1pd7 h TYR 28 CO 0.00 0.04 -0.00 0.00 -1.64 0.00 0.00 178.16 176.56 1pd7 h ARG 29 N 0.00 -0.00 -0.02 1.82 2.47 -1.64 -3.41 114.38 113.59 1pd7 h ARG 29 Ca -0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 1pd7 h ARG 29 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1pd7 h ARG 29 CO 0.01 0.80 -0.79 0.77 0.56 0.00 0.00 179.97 181.31 1pd7 h SER 30 N -0.99 0.27 0.02 7.04 0.02 -1.23 -2.71 113.55 115.97 1pd7 h SER 30 Ca -0.00 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1pd7 h SER 30 Cb 0.80 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 1pd7 h SER 30 CO 0.00 0.96 -0.41 0.15 -1.14 0.00 0.00 176.83 176.39 1pd7 h PHE 31 N 0.14 -1.17 -0.29 3.45 3.57 -1.13 -2.94 116.94 118.58 1pd7 h PHE 31 Ca -0.03 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 1pd7 h PHE 31 Cb 1.39 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 40.62 1pd7 h PHE 31 CO 0.03 -0.49 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.20 1pd7 h LEU 32 N -0.58 0.66 -1.63 0.59 3.38 -1.78 -2.66 115.31 113.30 1pd7 h LEU 32 Ca 0.04 -0.27 0.27 0.00 0.09 0.00 0.00 57.88 58.01 1pd7 h LEU 32 Cb 0.65 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1pd7 h LEU 32 CO -0.30 0.95 0.69 -0.33 0.09 0.00 0.00 178.44 179.54 1pd7 h GLU 33 N 0.53 0.24 -0.18 1.13 4.39 -1.43 0.34 114.58 119.61 1pd7 h GLU 33 Ca 0.06 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 1pd7 h GLU 33 Cb 0.85 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1pd7 h GLU 33 CO 0.07 0.16 -0.50 0.82 -1.16 0.00 0.00 179.01 178.40 1pd7 h ILE 34 N 0.25 1.32 0.00 3.13 2.04 -1.29 -2.43 117.51 120.54 1pd7 h ILE 34 Ca 0.53 -1.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1pd7 h ILE 34 Cb 1.63 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1pd7 h ILE 34 CO -0.16 0.54 -0.21 -0.07 0.00 0.00 0.00 178.15 178.24 1pd7 h LEU 35 N 0.33 0.00 -0.55 1.44 3.38 -1.05 -1.93 115.31 116.93 1pd7 h LEU 35 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1pd7 h LEU 35 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1pd7 h LEU 35 CO 0.11 0.21 -0.52 -0.74 0.09 0.00 0.00 178.44 177.59 1pd7 h HIS 36 N 0.00 0.00 -0.55 1.13 2.76 -0.37 0.07 115.15 118.18 1pd7 h HIS 36 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1pd7 h HIS 36 Cb 0.51 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1pd7 h HIS 36 CO 0.00 0.52 0.36 1.15 -1.30 0.00 0.00 177.93 178.66 1pd7 h THR 37 N 0.00 1.14 0.34 6.26 2.02 -0.84 -2.43 112.91 119.41 1pd7 h THR 37 Ca -0.01 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1pd7 h THR 37 Cb 1.16 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1pd7 h THR 37 CO 0.07 0.14 -0.17 0.22 0.37 0.00 0.00 175.52 176.15 1pd7 h TYR 38 N 0.75 -0.43 0.00 3.16 3.20 -1.26 -3.40 116.97 118.99 1pd7 h TYR 38 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1pd7 h TYR 38 Cb -0.08 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1pd7 h TYR 38 CO 0.00 -0.27 0.00 0.37 -1.64 0.00 0.00 178.16 176.62 1pd7 h GLN 39 N -0.87 0.00 -1.39 1.82 -0.00 -0.82 -1.91 115.11 111.95 1pd7 h GLN 39 Ca -0.05 0.00 0.41 0.00 -0.00 0.00 0.00 58.65 59.01 1pd7 h GLN 39 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.76 1pd7 h GLN 39 CO 0.08 0.00 0.98 -0.22 0.00 0.00 0.00 178.83 179.66 1pd7 h LYS 40 N 0.00 0.06 -0.83 1.69 3.64 -1.66 -2.41 116.57 117.06 1pd7 h LYS 40 Ca 0.00 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1pd7 h LYS 40 Cb 0.34 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.03 1pd7 h LYS 40 CO 0.00 0.04 0.30 1.05 -2.27 0.00 0.00 179.45 178.57 1pd7 h GLU 41 N 0.06 0.33 0.02 1.90 -0.00 -1.62 -2.56 114.58 112.71 1pd7 h GLU 41 Ca 0.70 -0.02 -0.24 0.00 -0.00 0.00 0.00 59.36 59.80 1pd7 h GLU 41 Cb 2.60 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 31.25 1pd7 h GLU 41 CO -0.11 0.22 -1.22 0.37 -0.00 0.00 0.00 179.01 178.27 1pd7 h GLN 42 N 0.34 0.03 0.00 1.06 4.15 -1.70 -3.36 115.11 115.64 1pd7 h GLN 42 Ca 0.50 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.80 1pd7 h GLN 42 Cb 0.91 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1pd7 h GLN 42 CO -0.53 0.90 -0.31 -0.07 -1.93 0.00 0.00 178.83 176.89 1pd7 h LEU 43 N 0.01 0.00 0.00 -2.39 3.38 -1.52 -3.24 115.31 111.55 1pd7 h LEU 43 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pd7 h LEU 43 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1pd7 h LEU 43 CO 0.12 0.31 0.00 1.41 0.09 0.00 0.00 178.44 180.37 1pd7 n HIS 44 N -3.53 0.00 -3.62 1.13 8.25 -1.14 -5.05 115.22 111.27 1pd7 n HIS 44 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 1pd7 n HIS 44 Cb 0.45 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.39 0.00 0.43 1.59 -1.32 -1.22 -5.17 115.64 108.55 1pd7 s THR 45 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1pd7 s THR 45 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1pd7 s THR 45 CO 0.00 0.00 0.58 -0.54 -2.21 0.00 0.00 174.62 172.45 1pd7 s LYS 46 N -1.58 2.81 0.00 7.08 1.02 -1.26 -4.73 119.74 123.08 1pd7 s LYS 46 Ca 0.08 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1pd7 s LYS 46 Cb -0.01 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1pd7 s LYS 46 CO -0.05 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1pd7 n GLY 47 N -1.87 2.25 3.93 -3.33 0.00 -1.26 -5.05 105.19 99.86 1pd7 n GLY 47 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.13 3.00 0.26 1.61 1.70 -1.26 -5.03 118.95 119.09 1pd7 s ARG 48 Ca 0.00 -0.20 -0.31 0.00 -0.47 0.00 0.00 55.73 54.75 1pd7 s ARG 48 Cb 0.00 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.87 1pd7 s ARG 48 CO 0.00 -0.51 1.62 -2.30 -1.08 0.00 0.00 175.30 173.03 1pd7 n PRO 49 N -2.36 2.66 -1.65 3.89 -0.02 -1.26 -4.82 135.00 131.44 1pd7 n PRO 49 Ca 0.03 0.95 -0.45 0.00 -2.02 0.00 0.00 63.50 62.01 1pd7 n PRO 49 Cb 0.58 -2.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 1pd7 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pd7 n PHE 50 N 2.71 1.89 -0.02 6.00 7.35 -1.26 -4.96 117.46 129.17 1pd7 n PHE 50 Ca 0.11 0.54 0.08 0.00 -0.76 0.00 0.00 57.45 57.41 1pd7 n PHE 50 Cb 0.35 -2.39 -0.17 0.00 0.35 0.00 0.00 39.48 37.63 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pd7 n ARG 51 N 1.56 0.66 -0.87 -4.13 5.12 -1.26 -4.67 116.66 113.08 1pd7 n ARG 51 Ca 0.11 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.75 1pd7 n ARG 51 Cb 0.31 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 29.95 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pd7 n GLY 52 N 1.34 2.80 4.81 -0.13 0.00 -1.26 -4.88 105.19 107.86 1pd7 n GLY 52 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.67 0.00 -4.22 1.61 0.00 -1.26 -4.53 117.12 111.39 1pd7 n MET 53 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.75 1pd7 n MET 53 Cb 0.74 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.85 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 -2.75 5.25 0.37 3.17 0.01 -1.26 -5.00 113.70 113.49 1pd7 s SER 54 Ca 0.00 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1pd7 s SER 54 Cb 0.00 -1.83 0.73 0.00 0.21 0.00 0.00 66.02 65.13 1pd7 s SER 54 CO 0.00 0.20 2.00 -0.33 0.41 0.00 0.00 173.24 175.53 1pd7 h GLU 55 N 6.45 0.73 0.00 12.44 4.39 -2.03 -1.72 114.58 134.85 1pd7 h GLU 55 Ca -0.37 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1pd7 h GLU 55 Cb 1.18 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1pd7 h GLU 55 CO 0.65 0.48 -0.03 1.05 -1.16 0.00 0.00 179.01 180.01 1pd7 h GLU 56 N 0.75 0.00 0.10 2.33 4.11 -1.98 -3.16 114.58 116.73 1pd7 h GLU 56 Ca 0.24 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.38 1pd7 h GLU 56 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1pd7 h GLU 56 CO -0.06 0.03 -1.49 1.05 0.07 0.00 0.00 179.01 178.60 1pd7 h GLU 57 N 0.00 0.21 -0.28 1.06 4.11 -1.73 0.50 114.58 118.45 1pd7 h GLU 57 Ca -0.00 -0.35 -0.11 0.00 0.07 0.00 0.00 59.36 58.97 1pd7 h GLU 57 Cb 0.16 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1pd7 h GLU 57 CO 0.00 1.05 -0.28 -0.24 0.07 0.00 0.00 179.01 179.62 1pd7 h VAL 58 N 0.06 1.28 0.35 -1.06 3.04 -1.60 -0.26 116.25 118.05 1pd7 h VAL 58 Ca -0.22 -1.36 -0.02 0.00 -1.01 0.00 0.00 66.70 64.09 1pd7 h VAL 58 Cb 1.99 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.65 1pd7 h VAL 58 CO 0.15 0.43 -0.17 0.15 -1.01 0.00 0.00 177.57 177.13 1pd7 h PHE 59 N 0.49 -0.44 -0.83 3.17 3.04 -1.61 -3.09 116.94 117.67 1pd7 h PHE 59 Ca 0.06 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.09 1pd7 h PHE 59 Cb 0.74 0.14 -0.07 0.00 2.56 0.00 0.00 35.95 39.32 1pd7 h PHE 59 CO 0.03 -0.23 0.49 0.00 -2.02 0.00 0.00 178.31 176.58 1pd7 h THR 60 N -0.54 0.95 -0.10 4.41 1.03 -0.09 -1.47 112.91 117.11 1pd7 h THR 60 Ca -0.05 -0.29 -0.09 0.00 -0.01 0.00 0.00 66.41 65.97 1pd7 h THR 60 Cb 0.40 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.51 1pd7 h THR 60 CO 0.08 0.15 -0.29 -0.33 -0.01 0.00 0.00 175.52 175.12 1pd7 h GLU 61 N 0.84 0.38 -0.62 0.00 4.39 -1.18 -3.06 114.58 115.33 1pd7 h GLU 61 Ca 0.39 -0.27 0.16 0.00 0.34 0.00 0.00 59.36 59.98 1pd7 h GLU 61 Cb 0.31 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1pd7 h GLU 61 CO -0.22 0.89 0.44 0.28 -1.16 0.00 0.00 179.01 179.23 1pd7 h VAL 62 N -0.06 0.74 -0.18 3.13 2.07 -1.42 -2.51 116.25 118.03 1pd7 h VAL 62 Ca -0.01 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1pd7 h VAL 62 Cb 0.91 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1pd7 h VAL 62 CO 0.06 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.64 1pd7 h ALA 63 N 1.69 1.61 -0.00 1.67 0.00 -1.16 -1.20 119.26 121.88 1pd7 h ALA 63 Ca 0.30 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1pd7 h ALA 63 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1pd7 h ALA 63 CO -0.04 0.29 -0.80 -0.91 0.00 0.00 0.00 179.25 177.79 1pd7 h ASN 64 N 0.26 0.02 0.28 0.00 2.35 -1.54 -2.23 115.58 114.72 1pd7 h ASN 64 Ca 0.06 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1pd7 h ASN 64 Cb 0.24 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1pd7 h ASN 64 CO 0.01 0.81 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.84 1pd7 h LEU 65 N 0.01 0.43 0.00 1.61 4.07 -1.36 -3.24 115.31 116.83 1pd7 h LEU 65 Ca -0.01 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1pd7 h LEU 65 Cb 1.41 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1pd7 h LEU 65 CO 0.10 0.99 -0.66 0.49 -1.08 0.00 0.00 178.44 178.29 1pd7 n PHE 66 N -3.85 0.14 -1.52 1.13 3.01 -0.60 -5.02 117.46 110.75 1pd7 n PHE 66 Ca -0.04 0.04 -0.55 0.00 1.01 0.00 0.00 57.45 57.91 1pd7 n PHE 66 Cb 0.68 -0.33 -0.07 0.00 -0.01 0.00 0.00 39.48 39.76 1pd7 n PHE 66 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1pd7 n ARG 67 N -1.68 0.39 0.00 -1.08 0.00 -0.84 -1.91 116.66 111.54 1pd7 n ARG 67 Ca 0.04 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1pd7 n ARG 67 Cb 0.37 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pd7 n GLY 68 N 1.84 2.69 3.32 5.14 0.00 -1.26 -4.99 105.19 111.93 1pd7 n GLY 68 Ca 0.19 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 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 3.89 0.16 1.61 -0.21 -0.80 -4.85 119.66 119.45 1pd7 s GLN 69 Ca 0.00 -2.93 0.04 0.00 0.02 0.00 0.00 55.36 52.49 1pd7 s GLN 69 Cb 0.00 -4.45 -0.05 0.00 1.00 0.00 0.00 33.01 29.51 1pd7 s GLN 69 CO 0.00 -1.26 1.36 0.93 -2.12 0.00 0.00 175.29 174.20 1pd7 h GLU 70 N 7.04 0.13 0.00 2.91 5.08 -1.94 -3.18 114.58 124.63 1pd7 h GLU 70 Ca 0.15 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1pd7 h GLU 70 Cb 0.93 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1pd7 h GLU 70 CO 0.90 0.95 -0.12 -0.44 -1.00 0.00 0.00 179.01 179.30 1pd7 h ASP 71 N 0.06 0.00 -0.01 1.42 3.32 -1.98 -2.30 116.42 116.93 1pd7 h ASP 71 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1pd7 h ASP 71 Cb 1.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 1pd7 h ASP 71 CO 0.13 0.12 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.71 1pd7 h LEU 72 N 0.00 0.02 -1.33 1.55 3.38 -1.96 -2.87 115.31 114.09 1pd7 h LEU 72 Ca -0.00 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1pd7 h LEU 72 Cb 0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1pd7 h LEU 72 CO 0.02 0.40 -0.32 -0.07 0.09 0.00 0.00 178.44 178.56 1pd7 h LEU 73 N -0.37 0.00 0.13 1.67 -0.00 -1.63 0.24 115.31 115.35 1pd7 h LEU 73 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1pd7 h LEU 73 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1pd7 h LEU 73 CO 0.00 0.32 -0.06 0.28 -0.00 0.00 0.00 178.44 178.98 1pd7 h SER 74 N 0.00 -0.14 1.39 -0.43 0.02 -1.45 -2.91 113.55 110.02 1pd7 h SER 74 Ca -0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1pd7 h SER 74 Cb 0.64 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1pd7 h SER 74 CO 0.04 0.05 0.00 -0.33 -1.14 0.00 0.00 176.83 175.46 1pd7 h GLU 75 N -0.34 0.00 0.00 3.45 5.08 -1.28 -2.78 114.58 118.71 1pd7 h GLU 75 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pd7 h GLU 75 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pd7 h GLU 75 CO 0.03 0.00 -0.03 0.35 -1.00 0.00 0.00 179.01 178.36 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.75 -2.72 116.94 121.37 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 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1pd7 h PHE 76 CO 0.00 0.03 0.00 0.78 -2.23 0.00 0.00 178.31 176.89 1pd7 h GLY 77 N 0.35 0.00 2.00 2.40 0.00 -1.42 -2.82 103.07 103.58 1pd7 h GLY 77 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1pd7 h GLY 77 CO 0.00 0.00 -0.26 0.06 0.00 0.00 0.00 176.54 176.35 1pd7 h GLN 78 N 0.00 0.00 0.01 4.80 3.07 -1.70 -2.88 115.11 118.42 1pd7 h GLN 78 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.51 1pd7 h GLN 78 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.69 1pd7 h GLN 78 CO 0.00 0.26 -1.13 0.74 0.09 0.00 0.00 178.83 178.79 1pd7 h PHE 79 N 0.00 0.04 -3.81 0.06 0.04 -1.72 -3.46 116.94 108.10 1pd7 h PHE 79 Ca -0.00 -0.03 -0.48 0.00 2.80 0.00 0.00 57.97 60.26 1pd7 h PHE 79 Cb 0.84 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1pd7 h PHE 79 CO 0.00 1.03 0.15 -0.51 -0.60 0.00 0.00 178.31 178.38 1pd7 s LEU 80 N -6.65 4.03 0.41 1.54 1.43 -1.09 -5.06 118.68 113.29 1pd7 s LEU 80 Ca -0.00 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 1pd7 s LEU 80 Cb 0.09 -4.19 -0.10 0.00 0.03 0.00 0.00 46.19 42.03 1pd7 s LEU 80 CO 0.83 -0.24 0.99 -2.16 0.23 0.00 0.00 176.35 176.00 1pd7 s PRO 81 N -3.04 4.20 -0.04 1.29 0.04 -1.26 -4.96 135.00 131.24 1pd7 s PRO 81 Ca 0.56 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 1pd7 s PRO 81 Cb -0.10 -2.40 -0.26 0.00 0.04 0.00 0.00 34.50 31.79 1pd7 s PRO 81 CO 0.16 -0.07 0.99 1.05 0.04 0.00 0.00 177.00 179.17 1pd7 h GLU 82 N 2.28 0.25 0.00 4.56 -0.00 -1.97 -3.48 114.58 116.23 1pd7 h GLU 82 Ca -0.48 -0.32 0.00 0.00 -0.00 0.00 0.00 59.36 58.56 1pd7 h GLU 82 Cb 1.20 0.10 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 1pd7 h GLU 82 CO 0.62 1.06 0.00 0.00 -0.00 0.00 0.00 179.01 180.69 1pd7 n ALA 83 N -2.59 0.00 -2.73 1.06 0.00 -1.26 -5.03 120.51 109.95 1pd7 n ALA 83 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1pd7 n ALA 83 Cb 0.63 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.31 0.62 0.00 0.00 4.81 -1.26 -5.29 118.16 113.72 1pd7 n LYS 84 Ca 0.00 -1.56 0.14 0.00 -0.87 0.00 0.00 58.31 56.01 1pd7 n LYS 84 Cb 0.00 -1.21 0.81 0.00 0.02 0.00 0.00 35.03 34.65 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11