#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 -0.47 0.00 -1.84 0.01 -1.26 -5.12 113.70 105.02 1pd7 s SER 2 Ca 0.00 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1pd7 s SER 2 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1pd7 s SER 2 CO 0.00 -0.26 0.00 -0.90 0.41 0.00 0.00 173.24 172.49 1pd7 n ASP 3 N 1.71 0.00 -2.27 2.44 5.68 -1.26 -4.95 116.55 117.89 1pd7 n ASP 3 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1pd7 n ASP 3 Cb 0.56 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.59 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1pd7 n SER 4 N -1.05 1.59 -0.12 -1.12 7.64 -1.26 -4.94 113.62 114.35 1pd7 n SER 4 Ca 0.00 -2.18 -0.07 0.00 1.01 0.00 0.00 58.87 57.63 1pd7 n SER 4 Cb 0.00 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.78 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 5.70 0.27 0.00 0.44 2.07 -1.99 -1.66 116.25 121.09 1pd7 h VAL 5 Ca -0.13 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1pd7 h VAL 5 Cb 1.48 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1pd7 h VAL 5 CO 0.18 0.00 -0.31 1.05 0.02 0.00 0.00 177.57 178.51 1pd7 h GLU 6 N -0.22 0.00 -0.61 1.57 4.11 -1.98 0.64 114.58 118.10 1pd7 h GLU 6 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 1pd7 h GLU 6 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1pd7 h GLU 6 CO -0.53 0.31 0.30 0.35 0.07 0.00 0.00 179.01 179.51 1pd7 h PHE 7 N 0.00 0.86 0.00 2.06 3.57 -1.77 -2.08 116.94 119.59 1pd7 h PHE 7 Ca -0.00 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.29 1pd7 h PHE 7 Cb 0.87 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1pd7 h PHE 7 CO 0.00 0.65 -0.80 -0.97 -2.23 0.00 0.00 178.31 174.96 1pd7 h ASN 8 N 0.83 0.00 -0.63 0.41 -1.24 -0.39 0.44 115.58 114.99 1pd7 h ASN 8 Ca 0.21 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 1pd7 h ASN 8 Cb 0.10 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1pd7 h ASN 8 CO -0.03 0.80 0.24 0.78 -1.29 0.00 0.00 177.43 177.94 1pd7 h ASN 9 N 0.00 0.90 -0.27 1.15 2.35 -0.83 0.12 115.58 119.00 1pd7 h ASN 9 Ca -0.01 -0.14 -0.15 0.00 -0.55 0.00 0.00 56.30 55.45 1pd7 h ASN 9 Cb 1.45 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1pd7 h ASN 9 CO 0.10 0.82 -0.40 0.00 -1.65 0.00 0.00 177.43 176.31 1pd7 h ALA 10 N 1.31 0.66 -0.09 -0.83 0.00 -0.69 -2.23 119.26 117.38 1pd7 h ALA 10 Ca 0.22 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1pd7 h ALA 10 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pd7 h ALA 10 CO -0.02 0.67 -0.03 0.82 0.00 0.00 0.00 179.25 180.69 1pd7 h ILE 11 N 0.67 0.88 -0.37 0.00 1.08 -0.59 -1.83 117.51 117.35 1pd7 h ILE 11 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 1pd7 h ILE 11 Cb 0.97 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 1pd7 h ILE 11 CO 0.09 0.00 0.25 -1.28 -0.69 0.00 0.00 178.15 176.52 1pd7 h SER 12 N -0.02 0.33 0.18 1.72 0.87 -0.74 0.24 113.55 116.13 1pd7 h SER 12 Ca 0.05 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1pd7 h SER 12 Cb 0.09 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1pd7 h SER 12 CO -0.10 0.23 -0.09 0.22 -0.53 0.00 0.00 176.83 176.56 1pd7 h TYR 13 N 0.38 -0.22 -0.35 2.24 3.20 -1.04 -0.75 116.97 120.42 1pd7 h TYR 13 Ca 0.15 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1pd7 h TYR 13 Cb 0.13 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1pd7 h TYR 13 CO -0.00 0.07 0.01 0.28 -1.64 0.00 0.00 178.16 176.88 1pd7 h VAL 14 N -0.51 1.20 -0.59 1.81 2.07 -0.80 -0.17 116.25 119.27 1pd7 h VAL 14 Ca -0.02 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1pd7 h VAL 14 Cb 0.39 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1pd7 h VAL 14 CO 0.04 0.27 0.35 -1.13 0.02 0.00 0.00 177.57 177.11 1pd7 h ASN 15 N 0.52 0.55 -0.64 0.57 -1.24 -0.54 0.11 115.58 114.91 1pd7 h ASN 15 Ca 0.11 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1pd7 h ASN 15 Cb 0.32 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 1pd7 h ASN 15 CO 0.01 0.38 0.37 0.50 -1.29 0.00 0.00 177.43 177.40 1pd7 h LYS 16 N 0.67 0.88 -0.05 6.67 3.64 -0.03 -0.44 116.57 127.92 1pd7 h LYS 16 Ca 0.24 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1pd7 h LYS 16 Cb 0.06 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1pd7 h LYS 16 CO -0.12 0.64 -0.08 0.82 -2.27 0.00 0.00 179.45 178.45 1pd7 h ILE 17 N 0.87 0.79 -0.47 2.00 2.04 -0.93 -1.30 117.51 120.50 1pd7 h ILE 17 Ca 0.23 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.16 1pd7 h ILE 17 Cb 0.00 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1pd7 h ILE 17 CO -0.04 0.00 0.15 0.11 0.00 0.00 0.00 178.15 178.37 1pd7 h LYS 18 N -0.11 0.31 -0.97 2.37 1.57 -0.57 -0.01 116.57 119.16 1pd7 h LYS 18 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pd7 h LYS 18 Cb 0.18 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1pd7 h LYS 18 CO -0.12 0.20 0.62 1.15 -0.57 0.00 0.00 179.45 180.74 1pd7 h THR 19 N 0.32 1.25 0.01 -0.16 2.02 -0.74 -2.86 112.91 112.75 1pd7 h THR 19 Ca 0.23 -0.49 -0.25 0.00 0.77 0.00 0.00 66.41 66.66 1pd7 h THR 19 Cb 0.25 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.47 1pd7 h THR 19 CO -0.25 0.25 -1.34 0.03 0.37 0.00 0.00 175.52 174.58 1pd7 h ARG 20 N 1.32 0.02 -1.70 6.66 2.47 -1.13 -3.34 114.38 118.67 1pd7 h ARG 20 Ca 0.35 -0.03 -0.47 0.00 -1.26 0.00 0.00 59.98 58.57 1pd7 h ARG 20 Cb -0.12 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 28.03 1pd7 h ARG 20 CO -0.07 0.79 0.50 1.19 0.56 0.00 0.00 179.97 182.94 1pd7 n PHE 21 N -3.22 1.85 0.04 3.04 3.72 -0.03 -4.32 117.46 118.54 1pd7 n PHE 21 Ca -0.08 -2.10 -0.16 0.00 -0.05 0.00 0.00 57.45 55.05 1pd7 n PHE 21 Cb 1.00 -1.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.26 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 3.10 0.74 -0.01 4.37 3.38 -1.65 -2.84 115.31 122.41 1pd7 h LEU 22 Ca 0.39 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pd7 h LEU 22 Cb 0.76 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pd7 h LEU 22 CO 0.95 1.35 0.00 -0.67 0.09 0.00 0.00 178.44 180.16 1pd7 n ASP 23 N -3.83 0.03 -3.38 -0.43 2.03 -1.26 -4.25 116.55 105.45 1pd7 n ASP 23 Ca -0.08 0.50 -0.26 0.00 0.52 0.00 0.00 54.79 55.47 1pd7 n ASP 23 Cb 0.82 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 40.63 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 -1.53 1.96 1.73 -0.67 8.25 -1.08 -4.93 115.22 118.96 1pd7 n HIS 24 Ca 0.06 -3.91 0.08 0.00 -0.26 0.00 0.00 57.72 53.68 1pd7 n HIS 24 Cb 0.28 -0.44 0.45 0.00 1.12 0.00 0.00 29.99 31.40 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 1.26 0.86 0.07 -0.41 -0.04 -1.21 -3.04 135.00 132.50 1pd7 n PRO 25 Ca 0.26 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.69 1pd7 n PRO 25 Cb 0.45 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1pd7 n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pd7 h GLU 26 N 0.00 0.00 -0.33 0.54 5.08 -1.91 -3.36 114.58 114.59 1pd7 h GLU 26 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1pd7 h GLU 26 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1pd7 h GLU 26 CO 0.00 0.70 0.04 0.82 -1.00 0.00 0.00 179.01 179.57 1pd7 h ILE 27 N 0.00 1.18 0.00 3.13 1.08 -1.90 -0.18 117.51 120.81 1pd7 h ILE 27 Ca -0.06 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1pd7 h ILE 27 Cb 1.66 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1pd7 h ILE 27 CO 0.09 0.23 0.22 0.22 -0.69 0.00 0.00 178.15 178.23 1pd7 h TYR 28 N 0.48 0.00 0.10 1.37 3.20 -1.82 0.22 116.97 120.53 1pd7 h TYR 28 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1pd7 h TYR 28 Cb 0.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1pd7 h TYR 28 CO 0.01 0.00 -0.05 0.00 -1.64 0.00 0.00 178.16 176.48 1pd7 h ARG 29 N 0.00 -0.14 -0.10 1.82 2.47 -1.27 -3.40 114.38 113.77 1pd7 h ARG 29 Ca 0.00 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.53 1pd7 h ARG 29 Cb 0.45 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1pd7 h ARG 29 CO 0.00 -0.09 -0.75 1.03 0.56 0.00 0.00 179.97 180.71 1pd7 h SER 30 N -0.87 0.63 -0.19 7.04 0.87 -1.28 -2.08 113.55 117.66 1pd7 h SER 30 Ca -0.01 -0.42 0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1pd7 h SER 30 Cb 0.11 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 1pd7 h SER 30 CO 0.02 1.18 -0.10 0.15 -0.53 0.00 0.00 176.83 177.56 1pd7 h PHE 31 N 0.36 -0.23 0.18 2.24 3.57 -1.25 -1.37 116.94 120.43 1pd7 h PHE 31 Ca -0.04 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.18 1pd7 h PHE 31 Cb 1.35 0.13 0.02 0.00 2.79 0.00 0.00 35.95 40.24 1pd7 h PHE 31 CO 0.06 -0.15 -1.34 -0.07 -2.23 0.00 0.00 178.31 174.58 1pd7 h LEU 32 N -0.08 0.58 -1.31 0.59 3.38 -1.76 -2.45 115.31 114.27 1pd7 h LEU 32 Ca 0.11 -0.63 0.28 0.00 0.09 0.00 0.00 57.88 57.73 1pd7 h LEU 32 Cb 0.24 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 1pd7 h LEU 32 CO -0.24 1.49 0.67 -0.33 0.09 0.00 0.00 178.44 180.12 1pd7 h GLU 33 N 0.10 0.38 -0.13 1.13 3.07 -1.28 0.32 114.58 118.18 1pd7 h GLU 33 Ca -0.18 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.58 1pd7 h GLU 33 Cb 2.05 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.87 1pd7 h GLU 33 CO 0.23 0.25 -0.22 0.82 -1.40 0.00 0.00 179.01 178.69 1pd7 h ILE 34 N 0.39 1.37 0.00 3.13 2.04 -1.09 -3.19 117.51 120.16 1pd7 h ILE 34 Ca 0.62 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1pd7 h ILE 34 Cb 1.56 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1pd7 h ILE 34 CO -0.34 0.43 0.00 -0.07 0.00 0.00 0.00 178.15 178.18 1pd7 h LEU 35 N -0.02 0.00 -1.82 1.44 3.38 -0.78 -1.29 115.31 116.23 1pd7 h LEU 35 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pd7 h LEU 35 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pd7 h LEU 35 CO 0.05 0.00 -0.14 0.45 0.09 0.00 0.00 178.44 178.90 1pd7 h HIS 36 N 0.00 0.00 -1.00 1.13 3.86 -0.39 0.18 115.15 118.92 1pd7 h HIS 36 Ca 0.00 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1pd7 h HIS 36 Cb 0.22 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.62 1pd7 h HIS 36 CO 0.00 0.14 0.65 1.15 0.86 0.00 0.00 177.93 180.72 1pd7 h THR 37 N 0.00 1.06 0.33 2.45 2.02 -1.31 -1.27 112.91 116.20 1pd7 h THR 37 Ca -0.00 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1pd7 h THR 37 Cb 0.38 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1pd7 h THR 37 CO 0.02 0.21 -0.16 0.22 0.37 0.00 0.00 175.52 176.18 1pd7 h TYR 38 N 1.15 -0.42 0.00 3.16 5.03 -1.50 -3.40 116.97 121.00 1pd7 h TYR 38 Ca 0.44 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.74 1pd7 h TYR 38 Cb 0.22 0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1pd7 h TYR 38 CO -0.00 -0.26 0.00 0.37 -1.32 0.00 0.00 178.16 176.95 1pd7 h GLN 39 N -1.02 0.00 -0.80 1.82 -0.00 -0.60 -2.98 115.11 111.53 1pd7 h GLN 39 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1pd7 h GLN 39 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.78 1pd7 h GLN 39 CO 0.08 0.00 0.52 -0.22 0.00 0.00 0.00 178.83 179.21 1pd7 h LYS 40 N 0.00 1.02 0.00 1.69 3.64 -1.44 -3.20 116.57 118.27 1pd7 h LYS 40 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pd7 h LYS 40 Cb 0.65 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1pd7 h LYS 40 CO 0.00 0.67 0.00 0.93 -2.27 0.00 0.00 179.45 178.78 1pd7 h GLU 41 N 1.05 0.00 -0.04 1.90 4.39 -1.75 -2.60 114.58 117.53 1pd7 h GLU 41 Ca 0.31 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 1pd7 h GLU 41 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1pd7 h GLU 41 CO -0.09 0.00 -0.23 1.96 -1.16 0.00 0.00 179.01 179.50 1pd7 h GLN 42 N 0.00 0.06 -7.06 2.33 1.08 -1.72 -3.37 115.11 106.42 1pd7 h GLN 42 Ca 0.00 -0.02 -0.45 0.00 -1.45 0.00 0.00 58.65 56.74 1pd7 h GLN 42 Cb 0.43 -0.01 0.06 0.00 -0.05 0.00 0.00 27.48 27.91 1pd7 h GLN 42 CO 0.00 0.29 0.09 -0.51 -0.95 0.00 0.00 178.83 177.75 1pd7 s LEU 43 N -8.54 3.05 -1.37 1.46 1.43 -0.98 -4.97 118.68 108.76 1pd7 s LEU 43 Ca -0.04 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.10 1pd7 s LEU 43 Cb 0.15 -2.94 0.08 0.00 0.03 0.00 0.00 46.19 43.51 1pd7 s LEU 43 CO 0.72 -1.39 1.97 1.41 0.23 0.00 0.00 176.35 179.29 1pd7 n HIS 44 N -2.63 3.91 -0.01 0.29 8.25 -1.26 -4.74 115.22 119.03 1pd7 n HIS 44 Ca 0.08 -2.94 -0.00 0.00 -0.26 0.00 0.00 57.72 54.60 1pd7 n HIS 44 Cb 0.60 -2.47 -0.00 0.00 1.12 0.00 0.00 29.99 29.24 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pd7 h THR 45 N 4.49 0.00 0.00 1.59 1.03 -1.90 -3.45 112.91 114.66 1pd7 h THR 45 Ca 0.49 -0.11 -0.16 0.00 -0.01 0.00 0.00 66.41 66.62 1pd7 h THR 45 Cb 0.73 0.00 -0.02 0.00 -1.07 0.00 0.00 68.15 67.78 1pd7 h THR 45 CO 1.68 0.00 -1.47 1.17 -0.01 0.00 0.00 175.52 176.89 1pd7 n LYS 46 N -2.35 0.50 0.05 0.00 4.81 -1.26 -5.06 118.16 114.85 1pd7 n LYS 46 Ca -0.00 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1pd7 n LYS 46 Cb 0.01 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pd7 n GLY 47 N 1.56 -1.86 3.71 3.14 0.00 -1.26 -5.16 105.19 105.32 1pd7 n GLY 47 Ca -0.27 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.31 2.55 -0.08 1.61 1.70 -1.26 -5.02 118.95 117.13 1pd7 s ARG 48 Ca 0.00 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 53.75 1pd7 s ARG 48 Cb 0.00 -2.35 -0.03 0.00 -0.57 0.00 0.00 34.95 32.00 1pd7 s ARG 48 CO 0.00 0.40 1.24 -1.25 -1.08 0.00 0.00 175.30 174.61 1pd7 s PRO 49 N -3.57 4.31 0.27 3.89 0.04 -1.26 -4.93 135.00 133.74 1pd7 s PRO 49 Ca 0.31 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1pd7 s PRO 49 Cb -0.08 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 1pd7 s PRO 49 CO 0.21 -0.54 0.38 0.12 0.04 0.00 0.00 177.00 177.22 1pd7 s PHE 50 N 2.63 3.35 -0.08 0.56 5.36 -1.26 -5.08 117.98 123.45 1pd7 s PHE 50 Ca 0.56 -0.08 -0.27 0.00 -0.96 0.00 0.00 56.93 56.19 1pd7 s PHE 50 Cb -0.24 -1.68 -0.24 0.00 -0.34 0.00 0.00 43.02 40.51 1pd7 s PHE 50 CO 0.20 0.32 0.96 0.00 -1.46 0.00 0.00 175.22 175.24 1pd7 h ARG 51 N 1.11 0.07 0.00 10.12 3.08 -1.96 -3.42 114.38 123.38 1pd7 h ARG 51 Ca -0.50 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1pd7 h ARG 51 Cb 1.24 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1pd7 h ARG 51 CO 0.59 0.89 0.00 0.41 -1.07 0.00 0.00 179.97 180.79 1pd7 n GLY 52 N 1.16 0.64 0.00 0.04 0.00 -1.26 -4.80 105.19 100.98 1pd7 n GLY 52 Ca -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.51 1.61 0.00 -1.26 -4.61 117.12 109.35 1pd7 n MET 53 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 1pd7 n MET 53 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 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 0.00 6.53 0.49 3.17 1.04 -1.26 -4.99 113.70 118.68 1pd7 s SER 54 Ca 0.00 0.63 0.31 0.00 0.48 0.00 0.00 55.95 57.37 1pd7 s SER 54 Cb 0.00 -2.21 1.24 0.00 0.10 0.00 0.00 66.02 65.16 1pd7 s SER 54 CO 0.00 0.13 1.92 -0.33 0.98 0.00 0.00 173.24 175.94 1pd7 h GLU 55 N 6.30 0.00 0.00 4.02 5.08 -2.03 -0.34 114.58 127.61 1pd7 h GLU 55 Ca -0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1pd7 h GLU 55 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1pd7 h GLU 55 CO 0.73 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 179.59 1pd7 h GLU 56 N 0.00 0.00 0.23 2.33 5.08 -1.98 -3.27 114.58 116.98 1pd7 h GLU 56 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1pd7 h GLU 56 Cb 0.52 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.80 1pd7 h GLU 56 CO 0.00 0.07 -1.51 1.05 -1.00 0.00 0.00 179.01 177.63 1pd7 h GLU 57 N 0.00 0.49 -0.17 2.33 4.11 -1.47 -0.27 114.58 119.60 1pd7 h GLU 57 Ca -0.00 -0.84 -0.09 0.00 0.07 0.00 0.00 59.36 58.50 1pd7 h GLU 57 Cb 0.47 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1pd7 h GLU 57 CO 0.01 1.40 -0.28 -0.24 0.07 0.00 0.00 179.01 179.97 1pd7 h VAL 58 N 0.10 1.26 0.71 -1.06 3.04 -1.68 -0.50 116.25 118.12 1pd7 h VAL 58 Ca -0.27 -1.25 -0.03 0.00 -1.01 0.00 0.00 66.70 64.14 1pd7 h VAL 58 Cb 2.12 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1pd7 h VAL 58 CO 0.24 0.38 -0.47 0.15 -1.01 0.00 0.00 177.57 176.87 1pd7 h PHE 59 N 0.29 -1.25 -0.89 3.17 3.04 -1.62 -2.92 116.94 116.75 1pd7 h PHE 59 Ca 0.04 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.17 1pd7 h PHE 59 Cb 0.65 0.45 -0.07 0.00 2.56 0.00 0.00 35.95 39.54 1pd7 h PHE 59 CO 0.01 -0.69 0.58 0.00 -2.02 0.00 0.00 178.31 176.20 1pd7 h THR 60 N -1.11 0.72 0.13 4.41 1.03 0.35 0.46 112.91 118.90 1pd7 h THR 60 Ca -0.09 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 66.13 1pd7 h THR 60 Cb 0.91 0.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1pd7 h THR 60 CO 0.07 0.09 -0.06 -0.33 -0.01 0.00 0.00 175.52 175.28 1pd7 h GLU 61 N 0.50 -0.17 -0.43 0.00 4.39 -1.24 -3.28 114.58 114.34 1pd7 h GLU 61 Ca 0.47 0.01 0.13 0.00 0.34 0.00 0.00 59.36 60.30 1pd7 h GLU 61 Cb 1.02 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1pd7 h GLU 61 CO -0.19 0.29 0.33 0.28 -1.16 0.00 0.00 179.01 178.56 1pd7 h VAL 62 N -0.84 0.70 -0.38 3.13 2.07 -1.22 -2.01 116.25 117.70 1pd7 h VAL 62 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1pd7 h VAL 62 Cb 0.54 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1pd7 h VAL 62 CO 0.03 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.87 1pd7 h ALA 63 N 1.74 1.86 -0.01 1.67 0.00 -0.98 -1.65 119.26 121.90 1pd7 h ALA 63 Ca 0.21 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 1pd7 h ALA 63 Cb 0.87 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pd7 h ALA 63 CO -0.00 0.09 -0.86 -0.91 0.00 0.00 0.00 179.25 177.57 1pd7 h ASN 64 N 0.40 0.34 -0.37 0.00 2.35 -1.48 -3.03 115.58 113.80 1pd7 h ASN 64 Ca 0.15 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.56 1pd7 h ASN 64 Cb 0.12 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1pd7 h ASN 64 CO -0.04 1.05 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.68 1pd7 h LEU 65 N 0.16 0.75 -1.83 1.61 4.07 -1.41 -3.14 115.31 115.52 1pd7 h LEU 65 Ca -0.05 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1pd7 h LEU 65 Cb 1.48 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1pd7 h LEU 65 CO 0.14 0.84 0.00 0.49 -1.08 0.00 0.00 178.44 178.83 1pd7 n PHE 66 N -4.20 0.01 -1.68 1.13 3.01 -1.04 -5.04 117.46 109.66 1pd7 n PHE 66 Ca 0.02 -0.01 -0.52 0.00 1.01 0.00 0.00 57.45 57.95 1pd7 n PHE 66 Cb 0.32 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.73 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 1.19 1.68 0.00 -1.08 1.85 -1.14 -0.85 116.66 118.31 1pd7 n ARG 67 Ca 0.12 0.61 0.00 0.00 -1.00 0.00 0.00 57.85 57.58 1pd7 n ARG 67 Cb 0.53 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.52 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 4.51 3.15 2.83 2.89 0.00 -1.26 -4.98 105.19 112.33 1pd7 n GLY 68 Ca 0.26 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1pd7 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pd7 n GLN 69 N 0.00 3.60 -0.11 1.61 6.02 -0.03 -4.78 117.38 123.70 1pd7 n GLN 69 Ca 0.00 -3.43 0.11 0.00 -0.01 0.00 0.00 57.00 53.66 1pd7 n GLN 69 Cb 0.00 -2.94 0.46 0.00 1.02 0.00 0.00 30.24 28.78 1pd7 n GLN 69 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1pd7 h GLU 70 N 5.70 0.48 0.00 -1.09 4.11 -1.94 -2.94 114.58 118.90 1pd7 h GLU 70 Ca 0.43 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.80 1pd7 h GLU 70 Cb 0.61 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1pd7 h GLU 70 CO 1.65 0.32 -0.14 -0.44 0.07 0.00 0.00 179.01 180.46 1pd7 h ASP 71 N 0.49 0.00 -0.26 3.06 5.19 -1.97 -1.31 116.42 121.62 1pd7 h ASP 71 Ca 0.29 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.63 1pd7 h ASP 71 Cb 0.48 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1pd7 h ASP 71 CO -0.09 0.14 -0.11 -0.07 -3.12 0.00 0.00 179.24 175.99 1pd7 h LEU 72 N 0.00 0.55 -0.66 1.55 3.38 -1.93 -2.60 115.31 115.61 1pd7 h LEU 72 Ca -0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1pd7 h LEU 72 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pd7 h LEU 72 CO 0.02 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 179.31 1pd7 h LEU 73 N 0.28 0.00 -0.34 1.67 4.07 -1.53 -1.90 115.31 117.56 1pd7 h LEU 73 Ca 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 1pd7 h LEU 73 Cb 0.61 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1pd7 h LEU 73 CO 0.04 0.00 0.20 -1.28 -1.08 0.00 0.00 178.44 176.31 1pd7 h SER 74 N 0.00 0.41 0.96 -0.43 0.87 -1.17 -2.31 113.55 111.88 1pd7 h SER 74 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1pd7 h SER 74 Cb 0.77 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1pd7 h SER 74 CO 0.00 0.35 0.00 -0.33 -0.53 0.00 0.00 176.83 176.32 1pd7 h GLU 75 N 0.43 0.00 0.00 2.24 5.08 -1.06 -2.48 114.58 118.79 1pd7 h GLU 75 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1pd7 h GLU 75 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pd7 h GLU 75 CO -0.02 0.00 -0.19 0.35 -1.00 0.00 0.00 179.01 178.15 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.83 -3.23 116.94 120.77 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 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1pd7 h PHE 76 CO 0.00 0.19 0.00 0.78 -2.23 0.00 0.00 178.31 177.05 1pd7 h GLY 77 N 2.51 0.00 1.30 2.40 0.00 -0.95 -2.76 103.07 105.58 1pd7 h GLY 77 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1pd7 h GLY 77 CO 0.02 0.00 -0.22 1.46 0.00 0.00 0.00 176.54 177.81 1pd7 h GLN 78 N 0.00 0.81 0.37 4.80 4.20 -1.71 -2.69 115.11 120.89 1pd7 h GLN 78 Ca 0.00 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1pd7 h GLN 78 Cb 0.36 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1pd7 h GLN 78 CO 0.00 0.95 -0.18 0.35 -0.67 0.00 0.00 178.83 179.28 1pd7 h PHE 79 N 0.71 -0.46 -3.00 2.96 3.57 -1.82 -3.47 116.94 115.43 1pd7 h PHE 79 Ca 0.10 -0.01 -0.57 0.00 3.53 0.00 0.00 57.97 61.02 1pd7 h PHE 79 Cb 0.74 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1pd7 h PHE 79 CO 0.04 -0.29 0.98 -0.51 -2.23 0.00 0.00 178.31 176.31 1pd7 s LEU 80 N -8.78 3.98 -0.82 0.59 1.43 -1.02 -4.95 118.68 109.11 1pd7 s LEU 80 Ca -0.07 1.45 -0.26 0.00 -1.03 0.00 0.00 54.13 54.22 1pd7 s LEU 80 Cb 0.01 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.72 1pd7 s LEU 80 CO 0.22 -1.02 1.39 -2.16 0.23 0.00 0.00 176.35 175.01 1pd7 s PRO 81 N 4.08 3.26 -0.09 1.29 0.04 -1.26 -4.58 135.00 137.73 1pd7 s PRO 81 Ca 0.59 -0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.01 1pd7 s PRO 81 Cb -0.20 -4.58 -0.28 0.00 0.04 0.00 0.00 34.50 29.48 1pd7 s PRO 81 CO 0.22 -2.24 0.60 1.05 0.04 0.00 0.00 177.00 176.67 1pd7 h GLU 82 N 10.31 0.26 0.00 4.56 4.11 -1.92 -3.45 114.58 128.44 1pd7 h GLU 82 Ca -0.12 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1pd7 h GLU 82 Cb 1.04 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pd7 h GLU 82 CO 1.32 1.21 0.00 0.00 0.07 0.00 0.00 179.01 181.61 1pd7 n ALA 83 N -2.93 0.00 -2.61 1.06 0.00 -1.26 -5.00 120.51 109.77 1pd7 n ALA 83 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 1pd7 n ALA 83 Cb 0.90 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.78 0.00 0.00 4.01 -1.26 -5.34 118.16 112.79 1pd7 n LYS 84 Ca 0.00 0.93 0.00 0.00 -0.51 0.00 0.00 58.31 58.73 1pd7 n LYS 84 Cb 0.00 -5.60 0.00 0.00 -0.51 0.00 0.00 35.03 28.92 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83