#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 0.00 -0.01 4.31 7.64 -1.26 -4.83 113.62 119.47 1pd7 n SER 2 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1pd7 n SER 2 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1pd7 n SER 2 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1pd7 h ASP 3 N 0.00 0.26 -0.97 6.43 3.32 -2.08 -3.41 116.42 119.96 1pd7 h ASP 3 Ca 0.00 -0.88 -0.72 0.00 0.02 0.00 0.00 57.03 55.45 1pd7 h ASP 3 Cb 0.00 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.36 1pd7 h ASP 3 CO 0.00 1.36 2.29 -1.54 -1.72 0.00 0.00 179.24 179.63 1pd7 n SER 4 N -4.24 4.70 -0.04 6.45 3.41 -1.26 -4.74 113.62 117.89 1pd7 n SER 4 Ca -0.18 -2.95 -0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1pd7 n SER 4 Cb 0.73 -1.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1pd7 n SER 4 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1pd7 h VAL 5 N 4.44 0.00 0.00 -3.33 2.07 -1.88 -3.09 116.25 114.46 1pd7 h VAL 5 Ca 0.45 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pd7 h VAL 5 Cb 0.74 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1pd7 h VAL 5 CO 1.60 0.00 0.00 1.05 0.02 0.00 0.00 177.57 180.24 1pd7 h GLU 6 N -0.83 0.00 -0.65 1.57 4.11 -1.99 -1.49 114.58 115.30 1pd7 h GLU 6 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 1pd7 h GLU 6 Cb 0.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1pd7 h GLU 6 CO 0.00 0.00 0.37 0.74 0.07 0.00 0.00 179.01 180.19 1pd7 h PHE 7 N 0.00 0.69 0.00 2.06 0.04 -1.93 -1.94 116.94 115.85 1pd7 h PHE 7 Ca 0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1pd7 h PHE 7 Cb 0.91 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1pd7 h PHE 7 CO 0.00 0.35 -0.16 -0.97 -0.60 0.00 0.00 178.31 176.93 1pd7 h ASN 8 N 0.70 0.00 1.12 2.17 -1.24 -1.20 -0.35 115.58 116.78 1pd7 h ASN 8 Ca 0.28 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.18 1pd7 h ASN 8 Cb 0.13 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1pd7 h ASN 8 CO -0.16 0.16 -0.55 0.78 -1.29 0.00 0.00 177.43 176.38 1pd7 h ASN 9 N 0.00 0.00 -0.23 1.15 2.35 -1.07 -0.86 115.58 116.92 1pd7 h ASN 9 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1pd7 h ASN 9 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1pd7 h ASN 9 CO 0.02 0.55 -0.60 0.00 -1.65 0.00 0.00 177.43 175.75 1pd7 h ALA 10 N 1.45 0.38 -0.50 -0.83 0.00 -0.38 -2.98 119.26 116.40 1pd7 h ALA 10 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1pd7 h ALA 10 Cb 1.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1pd7 h ALA 10 CO 0.07 0.63 0.26 0.82 0.00 0.00 0.00 179.25 181.03 1pd7 h ILE 11 N 0.56 0.97 -0.95 0.00 1.08 -0.98 -1.15 117.51 117.03 1pd7 h ILE 11 Ca -0.01 -0.17 0.20 0.00 -0.39 0.00 0.00 64.86 64.49 1pd7 h ILE 11 Cb 1.22 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 35.31 1pd7 h ILE 11 CO 0.13 0.09 0.61 -1.28 -0.69 0.00 0.00 178.15 177.01 1pd7 h SER 12 N 0.50 0.56 0.15 1.72 0.87 -1.21 0.13 113.55 116.27 1pd7 h SER 12 Ca 0.22 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1pd7 h SER 12 Cb 0.12 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1pd7 h SER 12 CO -0.15 0.21 -0.07 0.22 -0.53 0.00 0.00 176.83 176.51 1pd7 h TYR 13 N 0.55 -0.19 -0.64 2.24 3.20 -1.11 -2.99 116.97 118.03 1pd7 h TYR 13 Ca 0.52 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.46 1pd7 h TYR 13 Cb 1.09 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 1pd7 h TYR 13 CO -0.00 0.23 0.32 0.28 -1.64 0.00 0.00 178.16 177.35 1pd7 h VAL 14 N -0.91 0.89 -0.88 1.81 2.07 -0.93 -1.31 116.25 116.98 1pd7 h VAL 14 Ca -0.02 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1pd7 h VAL 14 Cb 0.50 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1pd7 h VAL 14 CO 0.03 0.10 0.47 -1.13 0.02 0.00 0.00 177.57 177.07 1pd7 h ASN 15 N 0.57 1.11 -0.44 0.57 -1.24 -0.87 0.18 115.58 115.45 1pd7 h ASN 15 Ca 0.30 -0.10 -0.08 0.00 0.71 0.00 0.00 56.30 57.13 1pd7 h ASN 15 Cb 0.27 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1pd7 h ASN 15 CO -0.23 0.90 0.01 0.11 -1.29 0.00 0.00 177.43 176.93 1pd7 h LYS 16 N 1.24 0.84 -0.09 6.67 1.57 -1.27 -1.03 116.57 124.51 1pd7 h LYS 16 Ca 0.31 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1pd7 h LYS 16 Cb 0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1pd7 h LYS 16 CO -0.05 0.84 0.04 0.82 -0.57 0.00 0.00 179.45 180.53 1pd7 h ILE 17 N 0.78 1.12 -0.71 1.86 2.04 -0.79 -0.10 117.51 121.72 1pd7 h ILE 17 Ca 0.15 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1pd7 h ILE 17 Cb 0.46 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1pd7 h ILE 17 CO 0.02 0.10 0.30 0.07 0.00 0.00 0.00 178.15 178.64 1pd7 h LYS 18 N 0.01 1.04 -0.26 2.37 2.10 -0.54 -0.27 116.57 121.03 1pd7 h LYS 18 Ca 0.03 -0.17 -0.18 0.00 -2.00 0.00 0.00 60.65 58.33 1pd7 h LYS 18 Cb 0.13 -0.18 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1pd7 h LYS 18 CO -0.00 0.84 -0.56 1.15 -2.00 0.00 0.00 179.45 178.87 1pd7 h THR 19 N 1.02 1.29 -0.24 0.07 2.02 -1.11 -3.26 112.91 112.71 1pd7 h THR 19 Ca 0.24 -1.76 -0.19 0.00 0.77 0.00 0.00 66.41 65.47 1pd7 h THR 19 Cb 0.17 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1pd7 h THR 19 CO -0.02 0.57 -0.61 0.03 0.37 0.00 0.00 175.52 175.86 1pd7 h ARG 20 N 0.60 0.83 -1.91 6.66 3.08 -0.80 -3.29 114.38 119.56 1pd7 h ARG 20 Ca 0.01 -0.58 -0.33 0.00 0.07 0.00 0.00 59.98 59.16 1pd7 h ARG 20 Cb 1.15 0.09 -0.12 0.00 0.08 0.00 0.00 29.97 31.17 1pd7 h ARG 20 CO 0.12 1.20 0.13 1.19 -1.07 0.00 0.00 179.97 181.54 1pd7 n PHE 21 N -4.01 0.96 0.08 3.04 3.72 -0.13 -4.02 117.46 117.10 1pd7 n PHE 21 Ca -0.06 -1.72 -0.12 0.00 -0.05 0.00 0.00 57.45 55.50 1pd7 n PHE 21 Cb 0.66 -1.28 -0.13 0.00 -0.94 0.00 0.00 39.48 37.79 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 3.89 0.22 -1.57 4.37 3.38 -1.63 -3.03 115.31 120.93 1pd7 h LEU 22 Ca 0.28 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1pd7 h LEU 22 Cb 1.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1pd7 h LEU 22 CO 0.58 1.19 -0.22 0.44 0.09 0.00 0.00 178.44 180.52 1pd7 h ASP 23 N 0.04 0.00 -2.13 -0.43 3.32 -1.89 -3.37 116.42 111.96 1pd7 h ASP 23 Ca -0.08 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.40 1pd7 h ASP 23 Cb 1.88 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.02 1pd7 h ASP 23 CO 0.17 0.22 -0.84 1.41 -1.72 0.00 0.00 179.24 178.48 1pd7 n HIS 24 N -3.80 2.10 1.75 4.55 8.25 -1.16 -4.93 115.22 121.98 1pd7 n HIS 24 Ca -0.02 -3.91 0.08 0.00 -0.26 0.00 0.00 57.72 53.62 1pd7 n HIS 24 Cb 0.32 -0.47 0.49 0.00 1.12 0.00 0.00 29.99 31.45 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 0.67 0.88 0.19 -0.41 -0.04 -1.16 -2.03 135.00 133.11 1pd7 n PRO 25 Ca 0.27 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1pd7 n PRO 25 Cb 0.48 -1.29 0.16 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.70 0.54 4.11 -1.92 -3.29 114.58 113.32 1pd7 h GLU 26 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1pd7 h GLU 26 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1pd7 h GLU 26 CO 0.00 0.24 0.26 0.82 0.07 0.00 0.00 179.01 180.41 1pd7 h ILE 27 N 0.00 1.24 -0.31 -1.06 1.08 -1.76 -1.98 117.51 114.73 1pd7 h ILE 27 Ca -0.00 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.77 1pd7 h ILE 27 Cb 1.12 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1pd7 h ILE 27 CO 0.03 0.31 0.26 0.22 -0.69 0.00 0.00 178.15 178.29 1pd7 h TYR 28 N 1.02 0.00 0.00 1.37 3.20 -1.77 0.27 116.97 121.05 1pd7 h TYR 28 Ca 0.23 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1pd7 h TYR 28 Cb 0.22 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1pd7 h TYR 28 CO 0.02 0.00 -0.04 0.00 -1.64 0.00 0.00 178.16 176.50 1pd7 h ARG 29 N 0.00 0.00 0.00 1.82 -0.00 -1.55 -3.38 114.38 111.27 1pd7 h ARG 29 Ca 0.15 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.48 1pd7 h ARG 29 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.62 1pd7 h ARG 29 CO -0.00 0.81 -0.72 0.77 0.00 0.00 0.00 179.97 180.83 1pd7 h SER 30 N -1.00 0.00 0.20 7.04 0.02 -1.21 -3.22 113.55 115.37 1pd7 h SER 30 Ca -0.01 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1pd7 h SER 30 Cb 0.82 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 1pd7 h SER 30 CO -0.01 0.70 -0.35 0.15 -1.14 0.00 0.00 176.83 176.19 1pd7 h PHE 31 N 0.00 -0.96 -0.07 3.45 3.57 -0.70 -2.85 116.94 119.39 1pd7 h PHE 31 Ca -0.01 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 1pd7 h PHE 31 Cb 1.54 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.68 1pd7 h PHE 31 CO 0.00 -0.47 -0.72 -0.07 -2.23 0.00 0.00 178.31 174.82 1pd7 h LEU 32 N -0.63 0.43 -0.94 0.59 3.38 -1.74 -2.88 115.31 113.52 1pd7 h LEU 32 Ca 0.01 -0.28 0.19 0.00 0.09 0.00 0.00 57.88 57.89 1pd7 h LEU 32 Cb 0.63 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.07 1pd7 h LEU 32 CO -0.16 1.01 -0.24 -0.08 0.09 0.00 0.00 178.44 179.06 1pd7 h GLU 33 N 0.25 -0.00 -0.60 1.13 4.81 -1.55 0.30 114.58 118.91 1pd7 h GLU 33 Ca -0.03 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1pd7 h GLU 33 Cb 1.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1pd7 h GLU 33 CO 0.12 -0.00 0.26 0.82 -0.73 0.00 0.00 179.01 179.48 1pd7 h ILE 34 N -0.00 1.22 0.00 2.32 2.04 -1.29 -2.73 117.51 119.07 1pd7 h ILE 34 Ca 0.45 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1pd7 h ILE 34 Cb 0.68 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1pd7 h ILE 34 CO -0.96 0.26 0.00 -0.07 0.00 0.00 0.00 178.15 177.37 1pd7 h LEU 35 N 0.82 0.00 -0.95 1.44 3.38 -1.06 -2.36 115.31 116.58 1pd7 h LEU 35 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1pd7 h LEU 35 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pd7 h LEU 35 CO -0.02 0.00 -0.20 0.45 0.09 0.00 0.00 178.44 178.76 1pd7 h HIS 36 N 0.00 0.00 -0.52 1.13 3.86 -0.19 -0.63 115.15 118.81 1pd7 h HIS 36 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pd7 h HIS 36 Cb 0.65 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.09 1pd7 h HIS 36 CO 0.00 0.20 0.31 1.15 0.86 0.00 0.00 177.93 180.45 1pd7 h THR 37 N 0.00 1.15 0.05 2.45 2.02 -1.18 -3.22 112.91 114.19 1pd7 h THR 37 Ca -0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1pd7 h THR 37 Cb 0.80 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1pd7 h THR 37 CO 0.03 0.16 -0.03 0.22 0.37 0.00 0.00 175.52 176.27 1pd7 h TYR 38 N 0.72 -0.07 -0.37 3.16 5.03 -1.43 -3.39 116.97 120.63 1pd7 h TYR 38 Ca 0.19 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.52 1pd7 h TYR 38 Cb -0.02 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1pd7 h TYR 38 CO 0.00 -0.04 0.25 0.37 -1.32 0.00 0.00 178.16 177.42 1pd7 h GLN 39 N -0.80 0.39 -1.18 1.82 -0.00 -1.23 -1.54 115.11 112.57 1pd7 h GLN 39 Ca -0.01 -0.02 0.35 0.00 -0.00 0.00 0.00 58.65 58.97 1pd7 h GLN 39 Cb 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 27.48 27.34 1pd7 h GLN 39 CO 0.01 0.26 0.76 -0.22 0.00 0.00 0.00 178.83 179.64 1pd7 h LYS 40 N 0.40 0.22 -0.14 1.69 3.64 -1.78 -2.68 116.57 117.93 1pd7 h LYS 40 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1pd7 h LYS 40 Cb 0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1pd7 h LYS 40 CO -0.03 0.15 -0.01 1.05 -2.27 0.00 0.00 179.45 178.34 1pd7 h GLU 41 N 0.23 0.19 0.02 1.90 4.11 -1.51 -3.20 114.58 116.31 1pd7 h GLU 41 Ca 0.71 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.91 1pd7 h GLU 41 Cb 2.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1pd7 h GLU 41 CO -0.35 0.22 -0.93 0.37 0.07 0.00 0.00 179.01 178.39 1pd7 h GLN 42 N 0.19 0.15 -5.50 1.06 -0.00 -1.69 -3.41 115.11 105.92 1pd7 h GLN 42 Ca 0.05 -0.18 -0.67 0.00 -0.00 0.00 0.00 58.65 57.84 1pd7 h GLN 42 Cb 0.15 0.06 -0.13 0.00 0.00 0.00 0.00 27.48 27.56 1pd7 h GLN 42 CO 0.00 0.97 1.55 -0.51 0.00 0.00 0.00 178.83 180.84 1pd7 s LEU 43 N -7.25 4.28 -1.28 -2.39 1.43 -1.21 -4.91 118.68 107.35 1pd7 s LEU 43 Ca -0.02 -2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 50.77 1pd7 s LEU 43 Cb 0.10 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1pd7 s LEU 43 CO 0.83 -1.14 2.72 1.41 0.23 0.00 0.00 176.35 180.40 1pd7 n HIS 44 N 7.50 2.28 -2.46 0.29 8.25 -1.26 -4.93 115.22 124.88 1pd7 n HIS 44 Ca 0.37 -2.77 -0.28 0.00 -0.26 0.00 0.00 57.72 54.78 1pd7 n HIS 44 Cb 0.47 -2.03 -0.00 0.00 1.12 0.00 0.00 29.99 29.55 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 0.16 4.85 -0.05 1.59 -1.32 -1.26 -5.06 115.64 114.55 1pd7 s THR 45 Ca 0.61 0.39 -0.21 0.00 -1.21 0.00 0.00 61.69 61.28 1pd7 s THR 45 Cb 0.21 -3.86 -0.05 0.00 -1.51 0.00 0.00 72.50 67.29 1pd7 s THR 45 CO -0.09 -0.91 0.59 -0.75 -2.21 0.00 0.00 174.62 171.26 1pd7 s LYS 46 N -4.80 4.36 0.00 7.08 2.20 -1.26 -4.59 119.74 122.73 1pd7 s LYS 46 Ca 0.49 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1pd7 s LYS 46 Cb -0.10 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1pd7 s LYS 46 CO 0.46 0.23 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 1pd7 n GLY 47 N 2.85 -0.85 3.27 5.54 0.00 -1.26 -5.13 105.19 109.61 1pd7 n GLY 47 Ca -0.05 0.40 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 1.13 0.70 1.61 1.70 -1.26 -5.16 118.95 117.67 1pd7 s ARG 48 Ca 0.00 -1.51 -0.11 0.00 -0.47 0.00 0.00 55.73 53.65 1pd7 s ARG 48 Cb 0.00 -0.64 0.01 0.00 -0.57 0.00 0.00 34.95 33.75 1pd7 s ARG 48 CO 0.00 0.04 1.06 -1.25 -1.08 0.00 0.00 175.30 174.07 1pd7 s PRO 49 N -3.77 2.89 0.28 3.89 0.04 -1.26 -4.97 135.00 132.11 1pd7 s PRO 49 Ca 0.19 0.96 0.10 0.00 0.04 0.00 0.00 61.00 62.30 1pd7 s PRO 49 Cb 0.03 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1pd7 s PRO 49 CO 0.03 -1.13 -0.07 -0.06 0.04 0.00 0.00 177.00 175.80 1pd7 s PHE 50 N -3.04 2.53 0.00 0.56 0.08 -1.26 -5.13 117.98 111.72 1pd7 s PHE 50 Ca 0.58 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1pd7 s PHE 50 Cb -0.14 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 1pd7 s PHE 50 CO 0.55 0.63 0.00 0.54 -0.10 0.00 0.00 175.22 176.84 1pd7 n ARG 51 N -0.81 0.00 0.00 0.44 5.12 -1.26 -5.10 116.66 115.05 1pd7 n ARG 51 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1pd7 n ARG 51 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 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 5.00 1.24 0.00 -0.13 0.00 -1.26 -4.74 105.19 105.30 1pd7 n GLY 52 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 1.36 0.00 -4.17 1.61 0.00 -1.26 -5.09 117.12 109.56 1pd7 n MET 53 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1pd7 n MET 53 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 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 1.84 4.82 0.38 3.17 0.01 -1.26 -5.03 113.70 117.63 1pd7 s SER 54 Ca 0.00 -0.24 0.18 0.00 1.31 0.00 0.00 55.95 57.20 1pd7 s SER 54 Cb 0.00 -1.08 1.13 0.00 0.21 0.00 0.00 66.02 66.28 1pd7 s SER 54 CO 0.00 0.18 1.70 -0.33 0.41 0.00 0.00 173.24 175.20 1pd7 h GLU 55 N 3.55 0.33 -0.66 12.44 3.07 -2.02 -2.32 114.58 128.97 1pd7 h GLU 55 Ca -0.48 -0.02 0.13 0.00 -0.50 0.00 0.00 59.36 58.49 1pd7 h GLU 55 Cb 1.17 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.96 1pd7 h GLU 55 CO 0.57 0.22 0.44 0.93 -1.40 0.00 0.00 179.01 179.77 1pd7 h GLU 56 N 0.34 0.32 0.00 2.33 5.08 -1.99 -2.75 114.58 117.90 1pd7 h GLU 56 Ca 0.69 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.82 1pd7 h GLU 56 Cb 1.73 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 1pd7 h GLU 56 CO -0.44 0.21 -1.16 1.05 -1.00 0.00 0.00 179.01 177.67 1pd7 h GLU 57 N 0.33 0.00 -0.00 2.33 4.11 -1.83 -0.42 114.58 119.10 1pd7 h GLU 57 Ca 0.31 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.61 1pd7 h GLU 57 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1pd7 h GLU 57 CO -0.08 0.71 -0.65 -0.24 0.07 0.00 0.00 179.01 178.82 1pd7 h VAL 58 N 0.00 1.47 0.33 -1.06 3.04 -1.63 -0.23 116.25 118.17 1pd7 h VAL 58 Ca -0.10 -2.23 -0.02 0.00 -1.01 0.00 0.00 66.70 63.35 1pd7 h VAL 58 Cb 1.76 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 33.24 1pd7 h VAL 58 CO 0.10 0.64 -0.16 0.15 -1.01 0.00 0.00 177.57 177.28 1pd7 h PHE 59 N 0.00 -0.42 -0.84 3.17 3.04 -1.52 -3.29 116.94 117.09 1pd7 h PHE 59 Ca -0.01 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.03 1pd7 h PHE 59 Cb 1.15 0.14 -0.07 0.00 2.56 0.00 0.00 35.95 39.72 1pd7 h PHE 59 CO 0.00 -0.14 0.49 0.00 -2.02 0.00 0.00 178.31 176.63 1pd7 h THR 60 N -0.65 0.90 -0.16 4.41 1.03 -0.10 -1.53 112.91 116.81 1pd7 h THR 60 Ca -0.05 -0.28 -0.15 0.00 -0.01 0.00 0.00 66.41 65.93 1pd7 h THR 60 Cb 0.46 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 1pd7 h THR 60 CO 0.08 0.15 -0.48 -0.33 -0.01 0.00 0.00 175.52 174.92 1pd7 h GLU 61 N 0.80 0.60 -0.85 0.00 5.08 -1.24 -3.15 114.58 115.83 1pd7 h GLU 61 Ca 0.41 -0.44 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1pd7 h GLU 61 Cb 0.39 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1pd7 h GLU 61 CO -0.25 1.06 0.55 0.28 -1.00 0.00 0.00 179.01 179.65 1pd7 h VAL 62 N 0.26 0.85 -0.07 3.13 2.07 -1.56 -2.75 116.25 118.18 1pd7 h VAL 62 Ca -0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1pd7 h VAL 62 Cb 1.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1pd7 h VAL 62 CO 0.10 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.75 1pd7 h ALA 63 N 1.61 1.76 -0.01 1.67 0.00 -1.24 -1.05 119.26 122.00 1pd7 h ALA 63 Ca 0.42 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1pd7 h ALA 63 Cb 0.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1pd7 h ALA 63 CO -0.18 0.18 -0.78 -0.91 0.00 0.00 0.00 179.25 177.56 1pd7 h ASN 64 N 0.10 0.13 0.74 0.00 2.35 -1.58 -1.76 115.58 115.57 1pd7 h ASN 64 Ca 0.02 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.53 1pd7 h ASN 64 Cb 0.18 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1pd7 h ASN 64 CO 0.01 0.86 -0.67 -0.07 -1.65 0.00 0.00 177.43 175.91 1pd7 h LEU 65 N 0.07 0.00 -1.59 1.61 4.07 -1.33 -3.22 115.31 114.91 1pd7 h LEU 65 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1pd7 h LEU 65 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1pd7 h LEU 65 CO 0.11 0.67 -0.14 0.49 -1.08 0.00 0.00 178.44 178.48 1pd7 n PHE 66 N -3.67 0.00 -1.56 1.13 3.01 -0.79 -5.05 117.46 110.54 1pd7 n PHE 66 Ca -0.01 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.91 1pd7 n PHE 66 Cb 0.67 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.08 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 0.86 0.80 0.00 -1.08 0.00 -0.67 -2.11 116.66 114.45 1pd7 n ARG 67 Ca 0.12 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 1pd7 n ARG 67 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 31.11 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 2.19 2.95 3.38 5.14 0.00 -1.26 -4.98 105.19 112.61 1pd7 n GLY 68 Ca 0.19 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 3.46 0.23 1.61 6.02 -0.90 -4.82 117.38 122.98 1pd7 n GLN 69 Ca 0.00 -3.98 0.08 0.00 -0.01 0.00 0.00 57.00 53.09 1pd7 n GLN 69 Cb 0.00 -2.91 0.58 0.00 1.02 0.00 0.00 30.24 28.93 1pd7 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pd7 h GLU 70 N 6.87 0.00 -0.24 -1.09 5.08 -1.93 -2.62 114.58 120.64 1pd7 h GLU 70 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1pd7 h GLU 70 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1pd7 h GLU 70 CO 1.23 0.20 0.09 -0.44 -1.00 0.00 0.00 179.01 179.09 1pd7 h ASP 71 N 0.00 0.29 -0.02 1.42 3.32 -1.98 -1.54 116.42 117.91 1pd7 h ASP 71 Ca -0.00 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1pd7 h ASP 71 Cb 0.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1pd7 h ASP 71 CO 0.03 0.27 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.57 1pd7 h LEU 72 N 0.33 0.20 -1.24 1.55 3.38 -1.87 -2.94 115.31 114.73 1pd7 h LEU 72 Ca 0.08 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1pd7 h LEU 72 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pd7 h LEU 72 CO -0.01 0.87 0.00 -0.07 0.09 0.00 0.00 178.44 179.32 1pd7 h LEU 73 N -0.45 0.00 0.22 1.67 -0.00 -1.59 -0.99 115.31 114.17 1pd7 h LEU 73 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1pd7 h LEU 73 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1pd7 h LEU 73 CO 0.04 0.00 -0.11 -1.28 -0.00 0.00 0.00 178.44 177.09 1pd7 h SER 74 N 0.00 -0.26 0.75 -0.43 0.87 -1.34 -3.05 113.55 110.10 1pd7 h SER 74 Ca 0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1pd7 h SER 74 Cb 0.56 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1pd7 h SER 74 CO 0.00 -0.02 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.17 1pd7 h GLU 75 N -0.49 0.00 0.00 2.24 4.81 -1.24 -1.63 114.58 118.27 1pd7 h GLU 75 Ca -0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1pd7 h GLU 75 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1pd7 h GLU 75 CO 0.05 0.02 -0.22 0.35 -0.73 0.00 0.00 179.01 178.48 1pd7 h PHE 76 N 0.00 0.00 0.00 0.92 3.04 -1.10 -3.29 116.94 116.51 1pd7 h PHE 76 Ca -0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1pd7 h PHE 76 Cb 0.41 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1pd7 h PHE 76 CO 0.00 0.22 -0.11 0.78 -2.02 0.00 0.00 178.31 177.18 1pd7 h GLY 77 N 0.94 0.00 2.00 2.40 0.00 -1.19 -3.14 103.07 104.08 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 0.03 0.00 -0.17 0.06 0.00 0.00 0.00 176.54 176.45 1pd7 h GLN 78 N 0.00 0.00 0.08 4.80 3.07 -1.70 -3.04 115.11 118.32 1pd7 h GLN 78 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.49 1pd7 h GLN 78 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 1pd7 h GLN 78 CO 0.01 0.17 -1.15 0.74 0.09 0.00 0.00 178.83 178.70 1pd7 h PHE 79 N 0.00 0.33 -3.97 0.06 0.04 -1.77 -3.45 116.94 108.18 1pd7 h PHE 79 Ca -0.00 -0.24 -0.47 0.00 2.80 0.00 0.00 57.97 60.07 1pd7 h PHE 79 Cb 0.92 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1pd7 h PHE 79 CO 0.00 1.18 0.37 -0.51 -0.60 0.00 0.00 178.31 178.75 1pd7 s LEU 80 N -7.02 4.14 1.04 1.54 1.43 -1.15 -5.05 118.68 113.61 1pd7 s LEU 80 Ca -0.02 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 1pd7 s LEU 80 Cb 0.08 -4.24 0.21 0.00 0.03 0.00 0.00 46.19 42.28 1pd7 s LEU 80 CO 0.86 -0.32 1.16 -2.16 0.23 0.00 0.00 176.35 176.13 1pd7 s PRO 81 N -2.55 0.09 -0.08 1.29 0.04 -1.26 -4.96 135.00 127.57 1pd7 s PRO 81 Ca 0.57 0.02 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 1pd7 s PRO 81 Cb -0.17 -1.74 -0.22 0.00 0.04 0.00 0.00 34.50 32.40 1pd7 s PRO 81 CO 0.22 -2.85 0.97 1.05 0.04 0.00 0.00 177.00 176.43 1pd7 h GLU 82 N -1.97 -0.02 0.00 4.56 4.11 -1.96 -3.46 114.58 115.84 1pd7 h GLU 82 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1pd7 h GLU 82 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1pd7 h GLU 82 CO 0.46 0.70 0.00 0.00 0.07 0.00 0.00 179.01 180.24 1pd7 n ALA 83 N -2.50 0.89 -1.86 1.06 0.00 -1.26 -5.06 120.51 111.78 1pd7 n ALA 83 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1pd7 n ALA 83 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.96 0.00 -0.61 0.00 4.81 -1.26 -5.21 118.16 113.92 1pd7 n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pd7 n LYS 84 Cb 0.00 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11