#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 -2.08 0.00 4.31 7.64 -1.26 -5.10 113.62 117.14 1pd7 n SER 2 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1pd7 n SER 2 Cb 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1pd7 n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pd7 n ASP 3 N -2.89 0.00 -1.04 6.43 2.03 -1.26 -5.00 116.55 114.82 1pd7 n ASP 3 Ca -0.01 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.30 1pd7 n ASP 3 Cb 0.16 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.00 2.85 0.27 1.67 7.64 -1.26 -4.70 113.62 120.09 1pd7 n SER 4 Ca 0.00 -3.54 -0.15 0.00 1.01 0.00 0.00 58.87 56.20 1pd7 n SER 4 Cb 0.00 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 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 1.16 0.41 0.00 0.44 2.07 -1.99 -2.25 116.25 116.10 1pd7 h VAL 5 Ca 0.15 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1pd7 h VAL 5 Cb 1.58 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1pd7 h VAL 5 CO 0.33 0.05 -0.15 1.05 0.02 0.00 0.00 177.57 178.87 1pd7 h GLU 6 N -0.92 0.00 -0.19 1.57 4.11 -1.98 -0.84 114.58 116.33 1pd7 h GLU 6 Ca -0.07 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.39 1pd7 h GLU 6 Cb 0.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1pd7 h GLU 6 CO 0.11 0.00 -0.00 0.74 0.07 0.00 0.00 179.01 179.93 1pd7 h PHE 7 N 0.00 -0.02 0.00 2.06 0.04 -1.87 -0.88 116.94 116.28 1pd7 h PHE 7 Ca 0.00 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1pd7 h PHE 7 Cb 0.86 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1pd7 h PHE 7 CO 0.00 -0.03 -0.30 -0.91 -0.60 0.00 0.00 178.31 176.46 1pd7 h ASN 8 N 0.06 0.00 1.09 2.17 2.35 -0.57 0.55 115.58 121.23 1pd7 h ASN 8 Ca 0.09 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1pd7 h ASN 8 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1pd7 h ASN 8 CO -0.16 0.30 -0.48 0.78 -1.65 0.00 0.00 177.43 176.22 1pd7 h ASN 9 N 0.00 0.00 -0.29 5.81 2.35 -1.13 0.17 115.58 122.48 1pd7 h ASN 9 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1pd7 h ASN 9 Cb 0.85 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 1pd7 h ASN 9 CO 0.04 0.48 -0.27 0.00 -1.65 0.00 0.00 177.43 176.03 1pd7 h ALA 10 N 1.52 0.43 0.27 -0.83 0.00 -0.12 -3.10 119.26 117.43 1pd7 h ALA 10 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1pd7 h ALA 10 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pd7 h ALA 10 CO 0.06 0.43 -0.18 0.82 0.00 0.00 0.00 179.25 180.38 1pd7 h ILE 11 N 0.45 0.62 -0.87 0.00 1.08 -0.67 -2.88 117.51 115.23 1pd7 h ILE 11 Ca 0.05 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.68 1pd7 h ILE 11 Cb 0.84 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 1pd7 h ILE 11 CO 0.07 0.00 0.57 0.77 -0.69 0.00 0.00 178.15 178.86 1pd7 h SER 12 N -0.45 0.56 0.65 1.72 4.64 -0.77 0.20 113.55 120.11 1pd7 h SER 12 Ca -0.02 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1pd7 h SER 12 Cb 0.38 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1pd7 h SER 12 CO 0.02 0.27 -0.31 0.22 -0.87 0.00 0.00 176.83 176.15 1pd7 h TYR 13 N 0.59 -0.81 -0.12 4.77 3.20 -1.44 -0.94 116.97 122.21 1pd7 h TYR 13 Ca 0.44 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.22 1pd7 h TYR 13 Cb 0.83 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1pd7 h TYR 13 CO -0.00 -0.47 -0.27 0.28 -1.64 0.00 0.00 178.16 176.06 1pd7 h VAL 14 N -1.02 1.24 -0.15 1.81 2.07 -1.22 -0.92 116.25 118.06 1pd7 h VAL 14 Ca -0.09 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.32 1pd7 h VAL 14 Cb 0.71 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1pd7 h VAL 14 CO 0.15 0.34 0.03 -1.13 0.02 0.00 0.00 177.57 176.98 1pd7 h ASN 15 N 0.19 0.02 0.30 0.57 -1.24 -0.62 -0.41 115.58 114.38 1pd7 h ASN 15 Ca 0.03 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 1pd7 h ASN 15 Cb 0.58 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1pd7 h ASN 15 CO 0.04 0.03 -0.22 0.11 -1.29 0.00 0.00 177.43 176.10 1pd7 h LYS 16 N 0.10 0.00 0.17 6.67 1.57 -0.37 -0.13 116.57 124.58 1pd7 h LYS 16 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1pd7 h LYS 16 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1pd7 h LYS 16 CO -0.08 0.22 -0.08 0.82 -0.57 0.00 0.00 179.45 179.75 1pd7 h ILE 17 N 0.00 0.92 -0.53 1.86 2.04 -1.03 -2.20 117.51 118.58 1pd7 h ILE 17 Ca -0.00 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.51 1pd7 h ILE 17 Cb 0.43 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1pd7 h ILE 17 CO 0.03 0.10 0.19 0.11 0.00 0.00 0.00 178.15 178.58 1pd7 h LYS 18 N -0.43 0.36 -0.76 2.37 1.57 -0.54 0.59 116.57 119.73 1pd7 h LYS 18 Ca -0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1pd7 h LYS 18 Cb 0.34 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1pd7 h LYS 18 CO 0.04 0.24 0.37 1.15 -0.57 0.00 0.00 179.45 180.68 1pd7 h THR 19 N 0.37 1.24 0.20 -0.16 2.02 -1.06 -3.04 112.91 112.48 1pd7 h THR 19 Ca 0.25 -0.66 -0.32 0.00 0.77 0.00 0.00 66.41 66.45 1pd7 h THR 19 Cb 0.28 0.26 0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1pd7 h THR 19 CO -0.26 0.28 -1.39 0.03 0.37 0.00 0.00 175.52 174.56 1pd7 h ARG 20 N 1.08 0.58 -2.05 6.66 3.08 -1.17 -3.35 114.38 119.20 1pd7 h ARG 20 Ca 0.26 -0.89 -0.53 0.00 0.07 0.00 0.00 59.98 58.89 1pd7 h ARG 20 Cb 0.10 0.32 -0.18 0.00 0.08 0.00 0.00 29.97 30.29 1pd7 h ARG 20 CO -0.03 1.42 0.59 1.19 -1.07 0.00 0.00 179.97 182.07 1pd7 n PHE 21 N -3.75 1.73 0.08 3.04 3.72 0.18 -4.16 117.46 118.30 1pd7 n PHE 21 Ca -0.16 -2.03 -0.17 0.00 -0.05 0.00 0.00 57.45 55.05 1pd7 n PHE 21 Cb 1.06 -1.41 -0.09 0.00 -0.94 0.00 0.00 39.48 38.10 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 4.04 0.64 0.00 4.37 3.38 -1.68 -3.12 115.31 122.94 1pd7 h LEU 22 Ca 0.43 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1pd7 h LEU 22 Cb 0.66 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1pd7 h LEU 22 CO 0.95 1.37 0.00 0.47 0.09 0.00 0.00 178.44 181.32 1pd7 n ASP 23 N -3.73 0.00 -3.22 -0.43 8.00 -1.26 -4.34 116.55 111.57 1pd7 n ASP 23 Ca -0.09 -0.01 -0.24 0.00 0.71 0.00 0.00 54.79 55.15 1pd7 n ASP 23 Cb 0.90 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.33 -0.05 1.12 1.24 8.25 -1.18 -4.96 115.22 118.31 1pd7 n HIS 24 Ca 0.13 -3.60 0.10 0.00 -0.26 0.00 0.00 57.72 54.08 1pd7 n HIS 24 Cb 0.26 -0.34 0.55 0.00 1.12 0.00 0.00 29.99 31.58 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 1.43 0.50 0.02 -0.41 -0.02 -1.21 -2.78 135.00 132.52 1pd7 n PRO 25 Ca 0.22 0.04 -0.07 0.00 -2.02 0.00 0.00 63.50 61.67 1pd7 n PRO 25 Cb 0.52 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.60 1pd7 n PRO 25 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pd7 h GLU 26 N 0.00 0.50 -0.77 -0.52 4.39 -1.93 -3.16 114.58 113.09 1pd7 h GLU 26 Ca 0.00 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.46 1pd7 h GLU 26 Cb 0.06 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1pd7 h GLU 26 CO 0.00 0.87 0.48 0.82 -1.16 0.00 0.00 179.01 180.02 1pd7 h ILE 27 N 0.40 1.10 -0.01 3.13 1.08 -1.89 -1.52 117.51 119.79 1pd7 h ILE 27 Ca 0.02 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1pd7 h ILE 27 Cb 0.98 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1pd7 h ILE 27 CO 0.09 0.17 0.06 0.22 -0.69 0.00 0.00 178.15 178.00 1pd7 h TYR 28 N 0.93 0.00 0.00 1.37 3.20 -1.75 0.22 116.97 120.94 1pd7 h TYR 28 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1pd7 h TYR 28 Cb 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1pd7 h TYR 28 CO -0.04 0.00 -0.02 0.00 -1.64 0.00 0.00 178.16 176.46 1pd7 h ARG 29 N 0.00 0.00 0.00 1.82 -0.00 -1.42 -3.38 114.38 111.40 1pd7 h ARG 29 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1pd7 h ARG 29 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.10 1pd7 h ARG 29 CO -0.00 0.00 0.00 0.77 0.00 0.00 0.00 179.97 180.74 1pd7 h SER 30 N -0.97 0.00 0.51 7.04 0.02 -1.30 -2.85 113.55 116.00 1pd7 h SER 30 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1pd7 h SER 30 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1pd7 h SER 30 CO 0.00 0.00 -0.46 0.15 -1.14 0.00 0.00 176.83 175.38 1pd7 h PHE 31 N 0.00 -1.27 -0.59 3.45 3.57 -0.82 -3.14 116.94 118.14 1pd7 h PHE 31 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1pd7 h PHE 31 Cb 0.88 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1pd7 h PHE 31 CO 0.00 -0.63 0.07 -0.07 -2.23 0.00 0.00 178.31 175.45 1pd7 h LEU 32 N -0.96 0.97 -0.98 0.59 3.38 -1.72 -2.99 115.31 113.60 1pd7 h LEU 32 Ca -0.07 -0.27 0.28 0.00 0.09 0.00 0.00 57.88 57.91 1pd7 h LEU 32 Cb 0.82 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 41.17 1pd7 h LEU 32 CO -0.03 1.00 0.52 -0.08 0.09 0.00 0.00 178.44 179.94 1pd7 h GLU 33 N 0.90 0.38 -0.20 1.13 4.81 -1.57 0.45 114.58 120.47 1pd7 h GLU 33 Ca 0.18 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1pd7 h GLU 33 Cb 0.46 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1pd7 h GLU 33 CO 0.02 0.25 -0.32 0.82 -0.73 0.00 0.00 179.01 179.05 1pd7 h ILE 34 N 0.39 1.33 -0.61 2.32 2.04 -1.47 -2.77 117.51 118.74 1pd7 h ILE 34 Ca 0.67 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1pd7 h ILE 34 Cb 1.41 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 1pd7 h ILE 34 CO -0.57 0.48 0.32 -0.07 0.00 0.00 0.00 178.15 178.31 1pd7 h LEU 35 N 0.25 0.76 -2.23 1.44 3.38 -1.09 -2.37 115.31 115.45 1pd7 h LEU 35 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pd7 h LEU 35 Cb 0.91 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pd7 h LEU 35 CO 0.07 0.62 -0.03 -0.74 0.09 0.00 0.00 178.44 178.45 1pd7 h HIS 36 N 0.85 0.00 -0.39 1.13 2.76 -0.11 0.25 115.15 119.64 1pd7 h HIS 36 Ca 0.22 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.34 1pd7 h HIS 36 Cb 0.05 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1pd7 h HIS 36 CO 0.01 0.03 0.03 0.00 -1.30 0.00 0.00 177.93 176.70 1pd7 h THR 37 N 0.00 1.20 0.00 6.26 1.03 -1.13 -2.17 112.91 118.10 1pd7 h THR 37 Ca -0.00 -0.78 -0.00 0.00 -0.01 0.00 0.00 66.41 65.62 1pd7 h THR 37 Cb 0.08 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.03 1pd7 h THR 37 CO 0.00 0.27 -0.00 0.22 -0.01 0.00 0.00 175.52 176.01 1pd7 h TYR 38 N 0.57 -0.00 0.00 0.00 3.20 -1.32 -3.40 116.97 116.01 1pd7 h TYR 38 Ca 0.12 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 38 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1pd7 h TYR 38 CO 0.01 0.69 0.00 0.37 -1.64 0.00 0.00 178.16 177.60 1pd7 h GLN 39 N -0.99 0.00 -0.99 1.82 -0.00 -0.89 -3.26 115.11 110.79 1pd7 h GLN 39 Ca -0.00 0.00 0.30 0.00 -0.00 0.00 0.00 58.65 58.95 1pd7 h GLN 39 Cb 0.70 0.00 -0.18 0.00 0.00 0.00 0.00 27.48 28.00 1pd7 h GLN 39 CO 0.00 0.00 0.13 -0.22 0.00 0.00 0.00 178.83 178.74 1pd7 h LYS 40 N 0.00 0.01 -0.12 1.69 3.64 -1.61 -1.11 116.57 119.07 1pd7 h LYS 40 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pd7 h LYS 40 Cb 0.43 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1pd7 h LYS 40 CO 0.00 0.01 -0.02 0.93 -2.27 0.00 0.00 179.45 178.10 1pd7 h GLU 41 N 0.01 0.17 -0.00 1.90 5.08 -1.88 -1.92 114.58 117.94 1pd7 h GLU 41 Ca 0.64 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1pd7 h GLU 41 Cb 1.42 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1pd7 h GLU 41 CO -0.89 0.21 -0.05 1.04 -1.00 0.00 0.00 179.01 178.32 1pd7 n GLN 42 N -4.41 0.18 -0.01 2.33 6.02 -0.42 -0.75 117.38 120.32 1pd7 n GLN 42 Ca -0.01 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.88 1pd7 n GLN 42 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 1pd7 n GLN 42 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pd7 h LEU 43 N 0.05 -0.09 -0.07 1.08 3.38 -1.36 -3.40 115.31 114.90 1pd7 h LEU 43 Ca 0.00 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1pd7 h LEU 43 Cb 0.43 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1pd7 h LEU 43 CO 0.00 0.57 -0.17 -0.74 0.09 0.00 0.00 178.44 178.19 1pd7 h HIS 44 N -0.96 0.31 0.00 1.13 2.76 -1.47 -3.49 115.15 113.44 1pd7 h HIS 44 Ca -0.01 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1pd7 h HIS 44 Cb 0.48 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1pd7 h HIS 44 CO 0.11 0.77 0.00 0.25 -1.30 0.00 0.00 177.93 177.76 1pd7 n THR 45 N -4.58 0.00 -4.20 6.26 -2.24 0.07 -4.96 114.28 104.63 1pd7 n THR 45 Ca -0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 1pd7 n THR 45 Cb 0.40 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1pd7 n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pd7 n LYS 46 N 13.26 -1.56 0.00 -0.78 5.02 -1.26 -3.88 118.16 128.96 1pd7 n LYS 46 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1pd7 n LYS 46 Cb 0.00 -3.79 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd7 n GLY 47 N -2.38 0.68 3.63 0.72 0.00 -1.26 -5.08 105.19 101.49 1pd7 n GLY 47 Ca -0.31 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 0.58 3.81 0.00 1.61 1.70 -1.25 -4.90 118.95 120.50 1pd7 s ARG 48 Ca 0.00 1.45 0.27 0.00 -0.47 0.00 0.00 55.73 56.98 1pd7 s ARG 48 Cb 0.00 -3.98 0.87 0.00 -0.57 0.00 0.00 34.95 31.27 1pd7 s ARG 48 CO 0.00 -1.26 1.64 -0.35 -1.08 0.00 0.00 175.30 174.24 1pd7 n PRO 49 N 7.57 1.24 -0.17 3.89 -0.04 -1.26 -4.87 135.00 141.38 1pd7 n PRO 49 Ca 0.17 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1pd7 n PRO 49 Cb 0.46 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1pd7 n PRO 49 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pd7 n PHE 50 N -0.23 -0.06 -3.41 0.54 7.35 -1.26 -5.09 117.46 115.29 1pd7 n PHE 50 Ca 0.15 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.58 1pd7 n PHE 50 Cb 0.36 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.10 1pd7 n PHE 50 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1pd7 n ARG 51 N 0.00 1.54 0.00 -4.13 1.85 -1.26 -5.03 116.66 109.63 1pd7 n ARG 51 Ca 0.00 -3.98 0.00 0.00 -1.00 0.00 0.00 57.85 52.87 1pd7 n ARG 51 Cb 0.00 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 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 1.44 0.86 0.00 2.89 0.00 -1.26 -4.78 105.19 104.34 1pd7 n GLY 52 Ca 0.26 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 -2.64 1.61 0.00 -1.26 -5.02 117.12 109.81 1pd7 n MET 53 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1pd7 n MET 53 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 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 1.68 7.34 0.51 3.17 0.01 -1.26 -4.93 113.70 120.21 1pd7 s SER 54 Ca 0.00 1.81 0.18 0.00 1.31 0.00 0.00 55.95 59.24 1pd7 s SER 54 Cb 0.00 -2.58 1.25 0.00 0.21 0.00 0.00 66.02 64.90 1pd7 s SER 54 CO 0.00 -0.25 2.08 1.05 0.41 0.00 0.00 173.24 176.54 1pd7 h GLU 55 N 6.32 0.08 0.00 12.44 9.09 -2.01 -1.28 114.58 139.23 1pd7 h GLU 55 Ca -0.42 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.96 1pd7 h GLU 55 Cb 1.22 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1pd7 h GLU 55 CO 0.75 0.05 -0.15 1.05 0.05 0.00 0.00 179.01 180.77 1pd7 h GLU 56 N 0.08 0.00 0.16 1.06 4.11 -1.99 -3.07 114.58 114.93 1pd7 h GLU 56 Ca 0.11 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.21 1pd7 h GLU 56 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1pd7 h GLU 56 CO -0.01 0.15 -1.63 1.05 0.07 0.00 0.00 179.01 178.64 1pd7 h GLU 57 N 0.00 0.34 -0.11 1.06 4.11 -1.63 -1.58 114.58 116.77 1pd7 h GLU 57 Ca -0.00 -0.58 -0.13 0.00 0.07 0.00 0.00 59.36 58.73 1pd7 h GLU 57 Cb 0.37 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1pd7 h GLU 57 CO 0.02 1.23 -0.48 -0.24 0.07 0.00 0.00 179.01 179.60 1pd7 h VAL 58 N 0.09 1.34 0.45 -1.06 3.04 -1.58 -0.23 116.25 118.30 1pd7 h VAL 58 Ca -0.29 -1.70 -0.01 0.00 -1.01 0.00 0.00 66.70 63.69 1pd7 h VAL 58 Cb 2.07 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 33.12 1pd7 h VAL 58 CO 0.18 0.51 -0.34 0.15 -1.01 0.00 0.00 177.57 177.06 1pd7 h PHE 59 N 0.23 -0.91 -0.54 3.17 3.57 -1.65 -3.20 116.94 117.61 1pd7 h PHE 59 Ca 0.01 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1pd7 h PHE 59 Cb 0.94 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 1pd7 h PHE 59 CO 0.02 -0.50 0.20 0.00 -2.23 0.00 0.00 178.31 175.80 1pd7 h THR 60 N -0.78 0.82 0.00 4.41 1.03 -0.14 -2.20 112.91 116.06 1pd7 h THR 60 Ca -0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 1pd7 h THR 60 Cb 0.66 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.14 1pd7 h THR 60 CO 0.00 0.07 0.00 -0.33 -0.01 0.00 0.00 175.52 175.25 1pd7 h GLU 61 N 0.39 0.00 -0.05 0.00 5.08 -1.22 -2.69 114.58 116.08 1pd7 h GLU 61 Ca 0.26 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 1pd7 h GLU 61 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1pd7 h GLU 61 CO -0.26 0.00 -0.67 0.28 -1.00 0.00 0.00 179.01 177.35 1pd7 h VAL 62 N 0.00 1.41 0.00 3.13 2.07 -1.47 -3.35 116.25 118.04 1pd7 h VAL 62 Ca 0.00 -2.14 -0.07 0.00 0.82 0.00 0.00 66.70 65.31 1pd7 h VAL 62 Cb 0.82 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1pd7 h VAL 62 CO 0.00 0.63 -0.31 0.00 0.02 0.00 0.00 177.57 177.91 1pd7 h ALA 63 N 1.13 1.15 0.00 1.67 0.00 -1.05 -1.05 119.26 121.10 1pd7 h ALA 63 Ca -0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1pd7 h ALA 63 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1pd7 h ALA 63 CO 0.10 0.39 -0.46 -0.91 0.00 0.00 0.00 179.25 178.37 1pd7 h ASN 64 N 0.00 0.00 1.20 0.00 2.35 -1.70 -1.31 115.58 116.12 1pd7 h ASN 64 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 1pd7 h ASN 64 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1pd7 h ASN 64 CO 0.04 0.46 -0.81 -0.07 -1.65 0.00 0.00 177.43 175.39 1pd7 h LEU 65 N 0.00 0.00 -1.11 1.61 4.07 -1.42 -3.33 115.31 115.12 1pd7 h LEU 65 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pd7 h LEU 65 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1pd7 h LEU 65 CO 0.06 0.74 -0.41 0.49 -1.08 0.00 0.00 178.44 178.24 1pd7 n PHE 66 N -3.25 0.00 -1.70 1.13 3.01 -0.92 -5.04 117.46 110.69 1pd7 n PHE 66 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1pd7 n PHE 66 Cb 0.84 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.28 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 0.15 2.65 0.00 -1.08 0.63 -0.52 -2.50 116.66 115.99 1pd7 n ARG 67 Ca 0.10 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1pd7 n ARG 67 Cb 0.48 -2.81 0.00 0.00 0.45 0.00 0.00 32.46 30.58 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pd7 n GLY 68 N 3.97 2.60 3.46 5.14 0.00 -1.26 -5.00 105.19 114.09 1pd7 n GLY 68 Ca 0.17 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 3.94 0.53 1.61 -0.21 -1.04 -4.84 119.66 119.65 1pd7 s GLN 69 Ca 0.00 -2.36 0.30 0.00 0.02 0.00 0.00 55.36 53.32 1pd7 s GLN 69 Cb 0.00 -5.00 1.50 0.00 1.00 0.00 0.00 33.01 30.50 1pd7 s GLN 69 CO 0.00 -1.75 2.07 0.93 -2.12 0.00 0.00 175.29 174.42 1pd7 h GLU 70 N 7.64 0.00 -0.61 2.91 5.08 -1.95 -3.01 114.58 124.64 1pd7 h GLU 70 Ca 0.26 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.71 1pd7 h GLU 70 Cb 0.92 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 1pd7 h GLU 70 CO 1.19 0.10 0.25 -0.44 -1.00 0.00 0.00 179.01 179.12 1pd7 h ASP 71 N 0.00 0.29 -0.10 1.42 3.32 -1.98 -1.78 116.42 117.59 1pd7 h ASP 71 Ca -0.00 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1pd7 h ASP 71 Cb 0.36 0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1pd7 h ASP 71 CO 0.01 0.18 -0.68 -0.07 -1.72 0.00 0.00 179.24 176.96 1pd7 h LEU 72 N 0.46 0.77 -1.35 1.55 3.38 -1.94 -3.05 115.31 115.13 1pd7 h LEU 72 Ca 0.30 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1pd7 h LEU 72 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pd7 h LEU 72 CO -0.27 1.31 -0.18 -0.07 0.09 0.00 0.00 178.44 179.32 1pd7 h LEU 73 N 0.28 0.00 -0.14 1.67 -0.00 -1.61 -0.88 115.31 114.63 1pd7 h LEU 73 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1pd7 h LEU 73 Cb 1.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.98 1pd7 h LEU 73 CO 0.14 0.18 0.03 0.28 -0.00 0.00 0.00 178.44 179.07 1pd7 h SER 74 N 0.00 0.22 1.25 -0.43 0.02 -1.32 -2.88 113.55 110.41 1pd7 h SER 74 Ca -0.00 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1pd7 h SER 74 Cb 0.63 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1pd7 h SER 74 CO 0.02 0.40 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.60 1pd7 h GLU 75 N 0.02 0.00 -0.01 3.45 5.08 -1.37 -2.89 114.58 118.86 1pd7 h GLU 75 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pd7 h GLU 75 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pd7 h GLU 75 CO 0.00 0.18 -0.12 0.35 -1.00 0.00 0.00 179.01 178.42 1pd7 h PHE 76 N 0.00 0.01 0.00 4.33 3.57 -1.00 -2.94 116.94 120.92 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 0.85 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1pd7 h PHE 76 CO 0.00 0.13 0.00 0.78 -2.23 0.00 0.00 178.31 176.99 1pd7 h GLY 77 N 0.38 0.00 1.84 2.40 0.00 -1.30 -3.01 103.07 103.38 1pd7 h GLY 77 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1pd7 h GLY 77 CO 0.02 0.00 -0.34 1.46 0.00 0.00 0.00 176.54 177.67 1pd7 h GLN 78 N 0.00 0.00 -0.02 4.80 4.20 -1.67 -2.86 115.11 119.57 1pd7 h GLN 78 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1pd7 h GLN 78 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1pd7 h GLN 78 CO 0.00 0.18 -0.64 0.74 -0.67 0.00 0.00 178.83 178.44 1pd7 h PHE 79 N 0.00 0.09 -3.44 2.96 -1.00 -1.68 -3.46 116.94 110.41 1pd7 h PHE 79 Ca -0.01 -0.04 -0.48 0.00 2.81 0.00 0.00 57.97 60.25 1pd7 h PHE 79 Cb 1.16 -0.01 0.04 0.00 3.61 0.00 0.00 35.95 40.75 1pd7 h PHE 79 CO 0.00 0.69 0.09 -0.51 -1.61 0.00 0.00 178.31 176.97 1pd7 s LEU 80 N -7.64 3.50 -0.05 1.54 1.43 -1.08 -5.03 118.68 111.35 1pd7 s LEU 80 Ca -0.02 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 1pd7 s LEU 80 Cb 0.12 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1pd7 s LEU 80 CO 0.78 -0.77 1.20 -2.16 0.23 0.00 0.00 176.35 175.63 1pd7 s PRO 81 N -4.79 4.36 -0.15 1.29 0.04 -1.26 -4.87 135.00 129.62 1pd7 s PRO 81 Ca 0.50 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 1pd7 s PRO 81 Cb -0.10 -3.54 -0.09 0.00 0.04 0.00 0.00 34.50 30.81 1pd7 s PRO 81 CO 0.43 -0.43 -0.15 -0.85 0.04 0.00 0.00 177.00 176.05 1pd7 n GLU 82 N 5.10 0.36 0.00 4.56 0.28 -1.26 -5.09 120.64 124.58 1pd7 n GLU 82 Ca 0.11 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1pd7 n GLU 82 Cb 0.46 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 32.09 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pd7 n ALA 83 N -3.11 0.00 -2.36 -1.84 0.00 -1.26 -4.97 120.51 106.98 1pd7 n ALA 83 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 1pd7 n ALA 83 Cb 0.76 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 1.93 0.00 0.00 4.76 -1.26 -5.24 118.16 118.35 1pd7 n LYS 84 Ca 0.00 -3.38 0.13 0.00 -2.87 0.00 0.00 58.31 52.18 1pd7 n LYS 84 Cb 0.00 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 31.96 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57