#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pd7 n SER 2 N 0.00 -2.80 -0.08 4.31 7.64 -1.26 -5.02 113.62 116.42 1pd7 n SER 2 Ca 0.00 0.17 -0.16 0.00 1.01 0.00 0.00 58.87 59.89 1pd7 n SER 2 Cb 0.00 -1.46 -0.14 0.00 -1.01 0.00 0.00 64.21 61.61 1pd7 n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pd7 n ASP 3 N 0.21 1.41 -2.89 6.43 9.92 -1.26 -5.04 116.55 125.33 1pd7 n ASP 3 Ca 0.00 0.04 -0.12 0.00 -0.53 0.00 0.00 54.79 54.18 1pd7 n ASP 3 Cb 0.00 -0.14 0.06 0.00 -0.64 0.00 0.00 41.12 40.39 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1pd7 n SER 4 N -3.16 -5.65 0.33 -2.24 7.64 -1.26 -4.90 113.62 104.37 1pd7 n SER 4 Ca -0.36 -0.56 -0.15 0.00 1.01 0.00 0.00 58.87 58.81 1pd7 n SER 4 Cb 1.05 -4.25 -0.07 0.00 -1.01 0.00 0.00 64.21 59.93 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 -0.87 0.10 0.00 0.44 2.07 -1.98 -1.19 116.25 114.82 1pd7 h VAL 5 Ca -0.49 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1pd7 h VAL 5 Cb 1.25 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1pd7 h VAL 5 CO 0.35 0.02 -0.24 1.05 0.02 0.00 0.00 177.57 178.77 1pd7 h GLU 6 N -1.18 0.00 -0.65 1.57 4.11 -1.98 -0.80 114.58 115.65 1pd7 h GLU 6 Ca -0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.29 1pd7 h GLU 6 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1pd7 h GLU 6 CO 0.15 0.24 0.20 0.35 0.07 0.00 0.00 179.01 180.02 1pd7 h PHE 7 N 0.00 1.04 0.00 2.06 3.04 -1.92 -1.52 116.94 119.64 1pd7 h PHE 7 Ca -0.00 -0.11 -0.06 0.00 3.98 0.00 0.00 57.97 61.78 1pd7 h PHE 7 Cb 0.59 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1pd7 h PHE 7 CO 0.00 0.85 -0.39 -0.97 -2.02 0.00 0.00 178.31 175.78 1pd7 h ASN 8 N 0.94 0.00 0.62 0.41 -0.73 -0.20 0.25 115.58 116.86 1pd7 h ASN 8 Ca 0.21 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.22 1pd7 h ASN 8 Cb 0.30 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 1pd7 h ASN 8 CO -0.01 0.27 -0.72 0.78 -0.37 0.00 0.00 177.43 177.38 1pd7 h ASN 9 N 0.00 0.09 -0.21 1.15 2.35 -1.10 -1.49 115.58 116.37 1pd7 h ASN 9 Ca -0.01 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.52 1pd7 h ASN 9 Cb 1.21 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 1pd7 h ASN 9 CO 0.03 0.78 -0.41 0.00 -1.65 0.00 0.00 177.43 176.18 1pd7 h ALA 10 N 1.22 0.69 -0.01 -0.83 0.00 -0.39 -1.99 119.26 117.96 1pd7 h ALA 10 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1pd7 h ALA 10 Cb 1.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1pd7 h ALA 10 CO 0.10 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.72 1pd7 h ILE 11 N 0.62 0.71 0.00 0.00 1.08 -0.91 -1.41 117.51 117.59 1pd7 h ILE 11 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1pd7 h ILE 11 Cb 0.96 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1pd7 h ILE 11 CO 0.09 0.00 -0.10 0.77 -0.69 0.00 0.00 178.15 178.22 1pd7 h SER 12 N -0.19 0.00 0.30 1.72 4.64 -1.27 0.25 113.55 119.00 1pd7 h SER 12 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1pd7 h SER 12 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1pd7 h SER 12 CO -0.12 0.10 -0.14 0.22 -0.87 0.00 0.00 176.83 176.01 1pd7 h TYR 13 N 0.00 -0.38 -0.84 4.77 3.20 -1.00 -0.69 116.97 122.03 1pd7 h TYR 13 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1pd7 h TYR 13 Cb 0.18 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1pd7 h TYR 13 CO 0.00 -0.07 0.41 0.28 -1.64 0.00 0.00 178.16 177.14 1pd7 h VAL 14 N -0.68 1.26 -0.59 1.81 2.07 -0.85 -0.11 116.25 119.16 1pd7 h VAL 14 Ca -0.04 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1pd7 h VAL 14 Cb 0.47 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1pd7 h VAL 14 CO 0.07 0.31 0.36 -1.13 0.02 0.00 0.00 177.57 177.20 1pd7 h ASN 15 N 1.20 0.60 -0.89 0.57 -1.24 -0.57 0.74 115.58 115.99 1pd7 h ASN 15 Ca 0.29 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.31 1pd7 h ASN 15 Cb 0.10 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 38.98 1pd7 h ASN 15 CO -0.04 0.42 0.59 0.50 -1.29 0.00 0.00 177.43 177.61 1pd7 h LYS 16 N 0.72 1.16 -0.04 6.67 3.64 -0.55 -0.75 116.57 127.42 1pd7 h LYS 16 Ca 0.23 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1pd7 h LYS 16 Cb 0.00 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 1pd7 h LYS 16 CO -0.09 0.76 -0.09 0.82 -2.27 0.00 0.00 179.45 178.58 1pd7 h ILE 17 N 1.19 0.75 -0.45 2.00 2.04 -0.75 -0.07 117.51 122.22 1pd7 h ILE 17 Ca 0.33 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.24 1pd7 h ILE 17 Cb -0.12 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1pd7 h ILE 17 CO -0.08 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.38 1pd7 h LYS 18 N -0.14 0.38 -0.21 2.37 1.57 -0.44 0.27 116.57 120.37 1pd7 h LYS 18 Ca 0.05 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1pd7 h LYS 18 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1pd7 h LYS 18 CO -0.12 0.25 -0.24 1.15 -0.57 0.00 0.00 179.45 179.92 1pd7 h THR 19 N 0.39 1.25 0.12 -0.16 2.02 -1.04 -2.97 112.91 112.53 1pd7 h THR 19 Ca 0.20 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1pd7 h THR 19 Cb 0.16 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1pd7 h THR 19 CO -0.18 0.37 -0.06 0.03 0.37 0.00 0.00 175.52 176.06 1pd7 h ARG 20 N 0.34 -0.15 -1.98 6.66 2.47 -0.73 -3.36 114.38 117.62 1pd7 h ARG 20 Ca 0.05 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1pd7 h ARG 20 Cb 0.62 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.94 1pd7 h ARG 20 CO 0.04 0.30 -0.11 1.19 0.56 0.00 0.00 179.97 181.95 1pd7 n PHE 21 N -4.93 0.08 0.03 3.04 3.72 0.91 -3.78 117.46 116.53 1pd7 n PHE 21 Ca -0.08 -1.22 -0.13 0.00 -0.05 0.00 0.00 57.45 55.97 1pd7 n PHE 21 Cb 0.27 -0.91 -0.01 0.00 -0.94 0.00 0.00 39.48 37.89 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 3.69 0.65 -1.10 4.37 3.38 -1.70 -2.80 115.31 121.80 1pd7 h LEU 22 Ca 0.08 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1pd7 h LEU 22 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1pd7 h LEU 22 CO 0.12 1.19 0.00 0.44 0.09 0.00 0.00 178.44 180.28 1pd7 h ASP 23 N 0.37 0.00 -2.15 -0.43 5.19 -1.91 -3.38 116.42 114.10 1pd7 h ASP 23 Ca -0.04 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.81 1pd7 h ASP 23 Cb 1.35 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.45 1pd7 h ASP 23 CO 0.14 0.00 -0.85 1.41 -3.12 0.00 0.00 179.24 176.82 1pd7 n HIS 24 N -2.78 2.30 0.47 4.55 8.25 -1.06 -4.94 115.22 122.02 1pd7 n HIS 24 Ca 0.01 -3.92 0.13 0.00 -0.26 0.00 0.00 57.72 53.68 1pd7 n HIS 24 Cb 0.29 -0.46 0.36 0.00 1.12 0.00 0.00 29.99 31.30 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 3.33 0.00 -0.04 -0.41 0.13 -1.75 -3.15 132.00 130.11 1pd7 h PRO 25 Ca 0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.16 1pd7 h PRO 25 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1pd7 h PRO 25 CO 0.68 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 178.95 1pd7 h GLU 26 N 0.00 0.08 0.00 0.86 5.08 -1.92 -2.99 114.58 115.70 1pd7 h GLU 26 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1pd7 h GLU 26 Cb 0.77 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pd7 h GLU 26 CO 0.00 0.50 -0.06 0.82 -1.00 0.00 0.00 179.01 179.28 1pd7 h ILE 27 N 0.07 0.19 0.00 3.13 2.04 -1.94 -2.20 117.51 118.79 1pd7 h ILE 27 Ca 0.00 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 1pd7 h ILE 27 Cb 0.79 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1pd7 h ILE 27 CO 0.06 0.06 -0.00 0.22 0.00 0.00 0.00 178.15 178.48 1pd7 h TYR 28 N 0.00 0.00 0.00 1.37 3.20 -1.72 -0.05 116.97 119.77 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 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1pd7 h TYR 28 CO 0.00 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 176.51 1pd7 h ARG 29 N 0.00 0.00 -0.06 1.82 2.47 -1.61 -3.42 114.38 113.58 1pd7 h ARG 29 Ca -0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1pd7 h ARG 29 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1pd7 h ARG 29 CO 0.00 0.00 -0.53 0.66 0.56 0.00 0.00 179.97 180.66 1pd7 h SER 30 N -0.95 0.18 -0.18 7.04 4.64 -1.43 -1.74 113.55 121.12 1pd7 h SER 30 Ca 0.00 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1pd7 h SER 30 Cb 0.01 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 1pd7 h SER 30 CO 0.00 0.68 -0.13 0.15 -0.87 0.00 0.00 176.83 176.67 1pd7 h PHE 31 N 0.13 -0.32 -0.09 4.77 3.57 -1.31 -2.56 116.94 121.12 1pd7 h PHE 31 Ca 0.00 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.29 1pd7 h PHE 31 Cb 0.99 0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.91 1pd7 h PHE 31 CO 0.01 -0.19 -0.86 -0.07 -2.23 0.00 0.00 178.31 174.98 1pd7 h LEU 32 N -0.13 0.84 -1.45 0.59 3.38 -1.70 -3.19 115.31 113.66 1pd7 h LEU 32 Ca 0.11 -0.59 0.14 0.00 0.09 0.00 0.00 57.88 57.63 1pd7 h LEU 32 Cb 0.29 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1pd7 h LEU 32 CO -0.26 1.39 0.53 -0.33 0.09 0.00 0.00 178.44 179.86 1pd7 h GLU 33 N 0.44 0.53 -0.36 1.13 5.08 -1.25 0.26 114.58 120.41 1pd7 h GLU 33 Ca -0.07 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1pd7 h GLU 33 Cb 1.48 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1pd7 h GLU 33 CO 0.17 0.35 -0.01 0.82 -1.00 0.00 0.00 179.01 179.34 1pd7 h ILE 34 N 0.55 1.26 -0.47 3.13 2.04 -1.45 -1.75 117.51 120.82 1pd7 h ILE 34 Ca 0.40 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 1pd7 h ILE 34 Cb 0.77 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1pd7 h ILE 34 CO -0.15 0.33 -0.06 -0.07 0.00 0.00 0.00 178.15 178.20 1pd7 h LEU 35 N 0.46 0.79 -1.96 1.44 3.38 -1.29 -2.69 115.31 115.45 1pd7 h LEU 35 Ca 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1pd7 h LEU 35 Cb 0.48 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pd7 h LEU 35 CO 0.02 0.90 -0.10 0.45 0.09 0.00 0.00 178.44 179.80 1pd7 h HIS 36 N 0.75 0.00 -0.96 1.13 3.86 -0.45 -0.78 115.15 118.70 1pd7 h HIS 36 Ca 0.13 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.49 1pd7 h HIS 36 Cb 0.54 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.92 1pd7 h HIS 36 CO 0.03 0.10 0.60 1.15 0.86 0.00 0.00 177.93 180.67 1pd7 h THR 37 N 0.00 0.83 0.12 2.45 2.02 -0.96 -0.35 112.91 117.03 1pd7 h THR 37 Ca -0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1pd7 h THR 37 Cb 0.20 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1pd7 h THR 37 CO 0.01 0.15 -0.06 0.22 0.37 0.00 0.00 175.52 176.21 1pd7 h TYR 38 N 0.80 -0.15 0.00 3.16 3.20 -1.47 -3.42 116.97 119.10 1pd7 h TYR 38 Ca 0.49 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 1pd7 h TYR 38 Cb 0.69 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1pd7 h TYR 38 CO -0.00 -0.10 -0.17 0.37 -1.64 0.00 0.00 178.16 176.63 1pd7 h GLN 39 N -0.96 0.00 -0.95 1.82 -0.00 -0.80 -2.50 115.11 111.72 1pd7 h GLN 39 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.72 1pd7 h GLN 39 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.54 1pd7 h GLN 39 CO 0.03 0.17 0.61 -0.22 0.00 0.00 0.00 178.83 179.42 1pd7 h LYS 40 N 0.00 0.99 0.00 1.69 3.64 -1.32 -2.76 116.57 118.81 1pd7 h LYS 40 Ca -0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1pd7 h LYS 40 Cb 0.36 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1pd7 h LYS 40 CO 0.02 0.65 -0.19 0.93 -2.27 0.00 0.00 179.45 178.60 1pd7 h GLU 41 N 1.02 0.00 0.00 1.90 5.08 -1.69 -3.35 114.58 117.54 1pd7 h GLU 41 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1pd7 h GLU 41 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1pd7 h GLU 41 CO -0.19 0.19 0.00 0.94 -1.00 0.00 0.00 179.01 178.94 1pd7 n GLN 42 N -3.30 0.02 0.00 2.33 7.27 -1.04 -4.20 117.38 118.45 1pd7 n GLN 42 Ca 0.01 0.26 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1pd7 n GLN 42 Cb 0.44 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.56 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1pd7 n LEU 43 N -1.56 0.00 -0.78 1.69 4.77 -1.26 -4.92 117.00 114.95 1pd7 n LEU 43 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1pd7 n LEU 43 Cb 0.18 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.56 1pd7 n LEU 43 CO 0.14 0.00 0.74 1.41 -1.33 0.00 0.00 177.39 178.35 1pd7 n HIS 44 N 0.00 0.12 -1.92 -1.77 8.25 -1.26 -5.01 115.22 113.63 1pd7 n HIS 44 Ca 0.00 -0.06 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 1pd7 n HIS 44 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.88 2.37 0.00 1.59 -1.32 -1.26 -5.02 115.64 110.13 1pd7 s THR 45 Ca 0.34 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 1pd7 s THR 45 Cb 0.20 -3.14 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1pd7 s THR 45 CO 0.31 -0.00 0.00 2.29 -2.21 0.00 0.00 174.62 175.01 1pd7 n LYS 46 N -0.86 1.11 0.00 7.08 0.00 -1.26 -4.93 118.16 119.30 1pd7 n LYS 46 Ca 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1pd7 n LYS 46 Cb 0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.49 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pd7 n GLY 47 N 4.95 1.47 3.54 2.58 0.00 -1.26 -4.97 105.19 111.50 1pd7 n GLY 47 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 1.81 0.97 1.61 1.70 -1.26 -5.15 118.95 118.63 1pd7 s ARG 48 Ca 0.00 -2.02 -0.14 0.00 -0.47 0.00 0.00 55.73 53.10 1pd7 s ARG 48 Cb 0.00 -1.28 0.18 0.00 -0.57 0.00 0.00 34.95 33.27 1pd7 s ARG 48 CO 0.00 -0.11 1.17 -1.25 -1.08 0.00 0.00 175.30 174.03 1pd7 s PRO 49 N -3.79 0.63 0.00 3.89 0.04 -1.26 -4.98 135.00 129.52 1pd7 s PRO 49 Ca 0.36 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1pd7 s PRO 49 Cb 0.09 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1pd7 s PRO 49 CO 0.17 -2.51 0.00 0.34 0.04 0.00 0.00 177.00 175.04 1pd7 n PHE 50 N -3.94 0.00 0.00 0.56 7.35 -1.26 -5.11 117.46 115.05 1pd7 n PHE 50 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1pd7 n PHE 50 Cb 0.59 -1.41 0.00 0.00 0.35 0.00 0.00 39.48 39.01 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 0.00 0.00 -2.39 -4.13 3.00 -1.26 -5.02 116.66 106.86 1pd7 n ARG 51 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.42 1pd7 n ARG 51 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1pd7 s GLY 52 N -2.55 0.97 0.00 -0.13 0.00 -1.26 -4.84 107.32 99.51 1pd7 s GLY 52 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1pd7 s GLY 52 CO 0.00 2.77 0.00 1.15 0.00 0.00 0.00 173.10 177.02 1pd7 n MET 53 N 8.45 2.71 -2.69 2.90 0.00 -1.26 -4.93 117.12 122.31 1pd7 n MET 53 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.41 1pd7 n MET 53 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.68 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 -1.91 7.20 0.58 3.17 0.01 -1.26 -4.92 113.70 116.56 1pd7 s SER 54 Ca 0.00 1.48 0.27 0.00 1.31 0.00 0.00 55.95 59.00 1pd7 s SER 54 Cb 0.00 -2.55 1.68 0.00 0.21 0.00 0.00 66.02 65.36 1pd7 s SER 54 CO 0.00 -0.50 2.20 1.05 0.41 0.00 0.00 173.24 176.40 1pd7 h GLU 55 N 7.19 0.00 -0.01 12.44 4.11 -2.00 0.02 114.58 136.34 1pd7 h GLU 55 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1pd7 h GLU 55 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pd7 h GLU 55 CO 0.88 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.90 1pd7 h GLU 56 N 0.00 0.00 0.16 1.06 3.07 -1.99 -2.40 114.58 114.48 1pd7 h GLU 56 Ca 0.03 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.57 1pd7 h GLU 56 Cb 0.14 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1pd7 h GLU 56 CO -0.00 0.00 -1.51 1.05 -1.40 0.00 0.00 179.01 177.15 1pd7 h GLU 57 N 0.00 0.35 -0.38 2.33 4.11 -1.38 0.29 114.58 119.90 1pd7 h GLU 57 Ca 0.00 -0.59 -0.06 0.00 0.07 0.00 0.00 59.36 58.78 1pd7 h GLU 57 Cb 0.01 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1pd7 h GLU 57 CO -0.00 1.24 -0.03 -0.24 0.07 0.00 0.00 179.01 180.05 1pd7 h VAL 58 N 0.09 1.22 0.82 -1.06 3.04 -1.49 -0.86 116.25 118.01 1pd7 h VAL 58 Ca -0.24 -0.92 -0.04 0.00 -1.01 0.00 0.00 66.70 64.48 1pd7 h VAL 58 Cb 2.06 0.97 0.01 0.00 -2.01 0.00 0.00 31.29 32.31 1pd7 h VAL 58 CO 0.20 0.32 -0.39 0.15 -1.01 0.00 0.00 177.57 176.83 1pd7 h PHE 59 N 0.58 -1.02 -0.88 3.17 3.04 -1.49 -3.25 116.94 117.09 1pd7 h PHE 59 Ca 0.12 -0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.25 1pd7 h PHE 59 Cb 0.41 0.34 -0.12 0.00 2.56 0.00 0.00 35.95 39.14 1pd7 h PHE 59 CO 0.02 -0.62 0.36 0.00 -2.02 0.00 0.00 178.31 176.04 1pd7 h THR 60 N -1.15 0.48 0.10 4.41 1.03 0.19 -0.77 112.91 117.21 1pd7 h THR 60 Ca -0.11 -0.13 -0.01 0.00 -0.01 0.00 0.00 66.41 66.15 1pd7 h THR 60 Cb 0.85 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1pd7 h THR 60 CO 0.18 0.07 -0.05 -0.33 -0.01 0.00 0.00 175.52 175.38 1pd7 h GLU 61 N 0.38 -0.14 -1.09 0.00 5.08 -1.36 -3.28 114.58 114.18 1pd7 h GLU 61 Ca 0.54 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 59.21 1pd7 h GLU 61 Cb 1.01 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 1pd7 h GLU 61 CO -0.53 0.37 0.74 0.28 -1.00 0.00 0.00 179.01 178.87 1pd7 h VAL 62 N -0.77 0.47 -0.39 3.13 2.07 -1.46 -0.75 116.25 118.55 1pd7 h VAL 62 Ca -0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1pd7 h VAL 62 Cb 0.56 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1pd7 h VAL 62 CO 0.02 0.04 0.26 0.00 0.02 0.00 0.00 177.57 177.91 1pd7 h ALA 63 N 1.54 1.72 0.00 1.67 0.00 -1.21 -1.47 119.26 121.51 1pd7 h ALA 63 Ca 0.58 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.27 1pd7 h ALA 63 Cb 1.84 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1pd7 h ALA 63 CO -0.17 0.26 -0.86 -0.91 0.00 0.00 0.00 179.25 177.57 1pd7 h ASN 64 N 0.53 0.20 -0.46 0.00 2.35 -1.25 -3.01 115.58 113.93 1pd7 h ASN 64 Ca 0.14 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1pd7 h ASN 64 Cb -0.06 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1pd7 h ASN 64 CO -0.03 0.96 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.44 1pd7 h LEU 65 N 0.08 0.99 -1.04 1.61 4.07 -1.39 -3.16 115.31 116.47 1pd7 h LEU 65 Ca -0.04 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1pd7 h LEU 65 Cb 1.48 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1pd7 h LEU 65 CO 0.13 1.15 0.00 0.49 -1.08 0.00 0.00 178.44 179.13 1pd7 n PHE 66 N -4.11 0.03 -2.07 1.13 3.01 -0.63 -4.96 117.46 109.85 1pd7 n PHE 66 Ca 0.00 -0.02 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1pd7 n PHE 66 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 1pd7 n PHE 66 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pd7 s ARG 67 N -1.97 4.28 0.00 -1.08 3.52 -1.14 -1.80 118.95 120.77 1pd7 s ARG 67 Ca 0.37 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 1pd7 s ARG 67 Cb 0.20 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1pd7 s ARG 67 CO 0.32 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 1pd7 n GLY 68 N 3.19 2.73 3.34 8.12 0.00 -1.26 -5.02 105.19 116.29 1pd7 n GLY 68 Ca 0.11 -0.81 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 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 3.28 0.31 1.61 0.00 -0.74 -4.90 119.66 119.21 1pd7 s GLN 69 Ca 0.00 -1.95 0.16 0.00 -0.00 0.00 0.00 55.36 53.56 1pd7 s GLN 69 Cb 0.00 -4.38 0.38 0.00 0.00 0.00 0.00 33.01 29.01 1pd7 s GLN 69 CO 0.00 -1.37 1.59 0.93 0.00 0.00 0.00 175.29 176.44 1pd7 h GLU 70 N 8.49 0.00 -0.42 9.60 5.08 -1.96 -3.31 114.58 132.06 1pd7 h GLU 70 Ca -0.11 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1pd7 h GLU 70 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1pd7 h GLU 70 CO 0.94 0.51 0.28 -0.44 -1.00 0.00 0.00 179.01 179.30 1pd7 h ASP 71 N 0.00 0.39 -0.13 1.42 3.32 -1.95 -2.07 116.42 117.40 1pd7 h ASP 71 Ca -0.01 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1pd7 h ASP 71 Cb 1.15 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1pd7 h ASP 71 CO 0.07 0.27 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.67 1pd7 h LEU 72 N 0.45 0.46 -0.66 1.55 3.38 -1.96 -2.26 115.31 116.27 1pd7 h LEU 72 Ca 0.17 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1pd7 h LEU 72 Cb 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pd7 h LEU 72 CO -0.04 0.61 -0.31 -0.07 0.09 0.00 0.00 178.44 178.72 1pd7 h LEU 73 N 0.44 0.00 -0.40 1.67 -0.00 -1.60 -0.85 115.31 114.57 1pd7 h LEU 73 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1pd7 h LEU 73 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1pd7 h LEU 73 CO 0.03 0.31 0.03 -1.28 -0.00 0.00 0.00 178.44 177.52 1pd7 h SER 74 N 0.00 0.67 0.66 -0.43 0.87 -1.31 -2.51 113.55 111.50 1pd7 h SER 74 Ca -0.00 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1pd7 h SER 74 Cb 0.98 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1pd7 h SER 74 CO 0.04 0.79 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.41 1pd7 h GLU 75 N 0.53 0.00 0.00 2.24 5.08 -1.24 -2.81 114.58 118.37 1pd7 h GLU 75 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1pd7 h GLU 75 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pd7 h GLU 75 CO 0.01 0.39 -0.09 0.35 -1.00 0.00 0.00 179.01 178.67 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.79 -2.31 116.94 121.74 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 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1pd7 h PHE 76 CO 0.00 0.09 0.00 0.78 -2.23 0.00 0.00 178.31 176.95 1pd7 h GLY 77 N 0.69 0.00 2.00 2.40 0.00 -1.18 -2.05 103.07 104.93 1pd7 h GLY 77 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pd7 h GLY 77 CO 0.01 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.88 1pd7 h GLN 78 N 0.00 0.00 -0.00 4.80 4.20 -1.57 -2.82 115.11 119.71 1pd7 h GLN 78 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pd7 h GLN 78 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1pd7 h GLN 78 CO 0.00 0.13 -0.58 1.19 -0.67 0.00 0.00 178.83 178.90 1pd7 n PHE 79 N -3.18 0.00 -3.77 2.96 3.01 -0.78 -4.52 117.46 111.18 1pd7 n PHE 79 Ca 0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.16 1pd7 n PHE 79 Cb 0.48 -0.15 -0.09 0.00 -0.01 0.00 0.00 39.48 39.71 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pd7 s LEU 80 N -2.89 5.19 0.92 4.37 1.43 -1.07 -5.10 118.68 121.54 1pd7 s LEU 80 Ca 0.13 -3.76 -0.12 0.00 -1.03 0.00 0.00 54.13 49.34 1pd7 s LEU 80 Cb 0.17 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.76 1pd7 s LEU 80 CO 0.70 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 176.12 1pd7 s PRO 81 N -1.36 1.04 0.00 1.29 0.04 -1.26 -4.89 135.00 129.86 1pd7 s PRO 81 Ca 0.26 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1pd7 s PRO 81 Cb -0.07 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1pd7 s PRO 81 CO -0.14 -2.26 0.00 0.39 0.04 0.00 0.00 177.00 175.03 1pd7 n GLU 82 N -3.81 0.00 0.00 4.56 1.02 -1.26 -5.00 120.64 116.15 1pd7 n GLU 82 Ca 0.07 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1pd7 n GLU 82 Cb 0.59 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 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 -1.61 0.26 -2.30 0.62 0.00 -1.26 -5.05 120.51 111.18 1pd7 n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pd7 n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.37 0.00 0.00 0.00 4.76 -1.26 -5.33 118.16 115.96 1pd7 n LYS 84 Ca 0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 1pd7 n LYS 84 Cb 0.00 -2.31 0.87 0.00 -1.84 0.00 0.00 35.03 31.75 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57