#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 5.50 0.00 1.62 1.04 -1.26 -4.97 113.70 115.63 1pd7 s SER 2 Ca 0.00 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.81 1pd7 s SER 2 Cb 0.00 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.19 1pd7 s SER 2 CO 0.00 -0.53 0.00 0.47 0.98 0.00 0.00 173.24 174.16 1pd7 n ASP 3 N 4.83 0.00 -1.36 7.02 8.00 -1.26 -4.91 116.55 128.87 1pd7 n ASP 3 Ca -0.09 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.45 1pd7 n ASP 3 Cb 0.42 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.56 1pd7 n ASP 3 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pd7 n SER 4 N -0.47 1.02 0.01 -2.24 7.64 -1.26 -4.82 113.62 113.50 1pd7 n SER 4 Ca 0.00 -2.18 -0.12 0.00 1.01 0.00 0.00 58.87 57.59 1pd7 n SER 4 Cb 0.00 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 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 6.43 1.07 0.00 0.44 2.07 -1.97 -2.45 116.25 121.83 1pd7 h VAL 5 Ca -0.20 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pd7 h VAL 5 Cb 1.79 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1pd7 h VAL 5 CO 0.09 0.06 0.00 -0.33 0.02 0.00 0.00 177.57 177.40 1pd7 h GLU 6 N 0.01 0.00 -0.42 1.57 5.08 -1.98 -0.25 114.58 118.60 1pd7 h GLU 6 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1pd7 h GLU 6 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1pd7 h GLU 6 CO -0.00 0.00 -0.06 0.35 -1.00 0.00 0.00 179.01 178.30 1pd7 h PHE 7 N 0.00 0.86 0.00 4.33 3.04 -1.80 -2.59 116.94 120.78 1pd7 h PHE 7 Ca 0.00 -0.17 -0.10 0.00 3.98 0.00 0.00 57.97 61.68 1pd7 h PHE 7 Cb 0.47 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1pd7 h PHE 7 CO 0.00 0.87 -0.48 -0.91 -2.02 0.00 0.00 178.31 175.78 1pd7 h ASN 8 N 0.60 0.00 1.35 0.41 2.35 -0.86 -1.86 115.58 117.57 1pd7 h ASN 8 Ca 0.11 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1pd7 h ASN 8 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1pd7 h ASN 8 CO 0.03 0.48 -0.24 0.78 -1.65 0.00 0.00 177.43 176.82 1pd7 h ASN 9 N 0.00 0.00 -0.17 5.81 2.35 -1.08 -1.04 115.58 121.45 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 1.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.56 1pd7 h ASN 9 CO 0.06 0.24 -0.63 0.00 -1.65 0.00 0.00 177.43 175.46 1pd7 h ALA 10 N 1.76 0.31 -0.18 -0.83 0.00 -1.02 -3.33 119.26 115.97 1pd7 h ALA 10 Ca -0.00 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1pd7 h ALA 10 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1pd7 h ALA 10 CO 0.03 0.58 0.03 0.82 0.00 0.00 0.00 179.25 180.71 1pd7 h ILE 11 N 0.44 0.91 -0.78 0.00 1.08 -1.07 -3.06 117.51 115.04 1pd7 h ILE 11 Ca -0.03 -0.03 0.13 0.00 -0.39 0.00 0.00 64.86 64.54 1pd7 h ILE 11 Cb 1.26 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 1pd7 h ILE 11 CO 0.13 0.02 0.51 0.77 -0.69 0.00 0.00 178.15 178.89 1pd7 h SER 12 N 0.10 0.51 0.57 1.72 4.64 -1.33 0.17 113.55 119.92 1pd7 h SER 12 Ca 0.08 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1pd7 h SER 12 Cb 0.08 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1pd7 h SER 12 CO -0.11 0.28 -0.27 0.22 -0.87 0.00 0.00 176.83 176.07 1pd7 h TYR 13 N 0.55 -0.70 -0.70 4.77 3.20 -1.64 -0.59 116.97 121.86 1pd7 h TYR 13 Ca 0.38 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1pd7 h TYR 13 Cb 0.69 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1pd7 h TYR 13 CO -0.00 -0.42 0.27 0.28 -1.64 0.00 0.00 178.16 176.65 1pd7 h VAL 14 N -0.81 1.24 -0.73 1.81 2.07 -1.33 -1.40 116.25 117.10 1pd7 h VAL 14 Ca -0.08 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1pd7 h VAL 14 Cb 0.61 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1pd7 h VAL 14 CO 0.13 0.31 0.46 -1.13 0.02 0.00 0.00 177.57 177.36 1pd7 h ASN 15 N 1.01 0.76 -0.55 0.57 -1.24 -0.66 -0.81 115.58 114.66 1pd7 h ASN 15 Ca 0.23 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1pd7 h ASN 15 Cb 0.21 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1pd7 h ASN 15 CO -0.02 0.52 0.29 0.11 -1.29 0.00 0.00 177.43 177.05 1pd7 h LYS 16 N 0.90 0.77 -0.23 6.67 1.57 -0.62 -0.95 116.57 124.68 1pd7 h LYS 16 Ca 0.30 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1pd7 h LYS 16 Cb 0.03 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1pd7 h LYS 16 CO -0.11 0.60 -0.05 0.82 -0.57 0.00 0.00 179.45 180.13 1pd7 h ILE 17 N 0.73 0.78 -0.58 1.86 2.04 -0.98 -1.77 117.51 119.59 1pd7 h ILE 17 Ca 0.19 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1pd7 h ILE 17 Cb 0.06 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1pd7 h ILE 17 CO -0.03 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.56 1pd7 h LYS 18 N 0.01 0.79 0.00 2.37 1.57 -1.05 -1.01 116.57 119.25 1pd7 h LYS 18 Ca 0.11 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1pd7 h LYS 18 Cb 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pd7 h LYS 18 CO -0.23 0.59 -0.02 1.15 -0.57 0.00 0.00 179.45 180.37 1pd7 h THR 19 N 0.78 0.95 0.00 -0.16 2.02 -0.66 -2.31 112.91 113.52 1pd7 h THR 19 Ca 0.20 -0.07 -0.22 0.00 0.77 0.00 0.00 66.41 67.10 1pd7 h THR 19 Cb 0.01 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1pd7 h THR 19 CO -0.04 0.02 -1.76 0.54 0.37 0.00 0.00 175.52 174.65 1pd7 n ARG 20 N -4.42 0.64 -1.39 6.66 5.12 -0.71 -4.43 116.66 118.13 1pd7 n ARG 20 Ca -0.03 0.14 -0.26 0.00 -1.93 0.00 0.00 57.85 55.76 1pd7 n ARG 20 Cb 0.11 -1.71 -0.02 0.00 -1.16 0.00 0.00 32.46 29.68 1pd7 n ARG 20 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1pd7 n PHE 21 N -2.81 1.83 0.05 -1.55 3.72 -0.39 -4.34 117.46 113.97 1pd7 n PHE 21 Ca -0.16 -2.06 -0.06 0.00 -0.05 0.00 0.00 57.45 55.12 1pd7 n PHE 21 Cb 0.92 -1.27 -0.11 0.00 -0.94 0.00 0.00 39.48 38.08 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 3.39 0.00 -0.03 4.37 3.38 -1.74 -3.07 115.31 121.60 1pd7 h LEU 22 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1pd7 h LEU 22 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1pd7 h LEU 22 CO 0.96 0.94 0.00 0.44 0.09 0.00 0.00 178.44 180.87 1pd7 h ASP 23 N 0.00 0.00 -2.63 -0.43 3.32 -1.91 -3.41 116.42 111.35 1pd7 h ASP 23 Ca -0.07 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.38 1pd7 h ASP 23 Cb 1.78 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.93 1pd7 h ASP 23 CO 0.11 0.00 -0.82 1.41 -1.72 0.00 0.00 179.24 178.22 1pd7 n HIS 24 N -2.34 0.68 0.73 4.55 8.25 -1.16 -4.95 115.22 120.98 1pd7 n HIS 24 Ca 0.05 -3.69 0.07 0.00 -0.26 0.00 0.00 57.72 53.89 1pd7 n HIS 24 Cb 0.43 -0.08 0.37 0.00 1.12 0.00 0.00 29.99 31.83 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 2.49 0.28 0.11 -0.41 -0.02 -1.25 -2.81 135.00 133.39 1pd7 n PRO 25 Ca 0.26 0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1pd7 n PRO 25 Cb 0.43 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.64 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 0.19 -0.03 -0.52 5.08 -1.92 -3.03 114.58 114.35 1pd7 h GLU 26 Ca 0.00 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.04 1pd7 h GLU 26 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1pd7 h GLU 26 CO 0.00 0.60 -0.89 0.82 -1.00 0.00 0.00 179.01 178.54 1pd7 h ILE 27 N 0.16 1.37 -0.72 3.13 1.08 -1.89 -0.25 117.51 120.39 1pd7 h ILE 27 Ca 0.01 -2.31 -0.03 0.00 -0.39 0.00 0.00 64.86 62.14 1pd7 h ILE 27 Cb 0.84 2.30 -0.03 0.00 -3.07 0.00 0.00 36.82 36.86 1pd7 h ILE 27 CO 0.07 0.70 0.35 0.22 -0.69 0.00 0.00 178.15 178.79 1pd7 h TYR 28 N 0.29 1.03 -0.61 1.37 3.20 -1.73 0.85 116.97 121.38 1pd7 h TYR 28 Ca -0.07 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1pd7 h TYR 28 Cb 1.51 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1pd7 h TYR 28 CO 0.06 0.76 0.19 0.00 -1.64 0.00 0.00 178.16 177.53 1pd7 h ARG 29 N 1.01 0.95 0.10 1.82 2.47 -1.38 -3.35 114.38 116.00 1pd7 h ARG 29 Ca 0.25 -0.21 -0.14 0.00 -1.26 0.00 0.00 59.98 58.62 1pd7 h ARG 29 Cb 0.12 -0.14 0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1pd7 h ARG 29 CO -0.03 0.84 -0.62 1.03 0.56 0.00 0.00 179.97 181.75 1pd7 h SER 30 N 0.87 0.38 -0.47 7.04 0.87 -0.64 -3.30 113.55 118.29 1pd7 h SER 30 Ca 0.20 -0.93 -0.03 0.00 -1.23 0.00 0.00 61.79 59.79 1pd7 h SER 30 Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1pd7 h SER 30 CO -0.01 1.28 0.18 2.19 -0.53 0.00 0.00 176.83 179.95 1pd7 h PHE 31 N -0.46 0.72 -0.17 2.24 -0.00 -0.98 -2.95 116.94 115.33 1pd7 h PHE 31 Ca -0.10 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.97 57.69 1pd7 h PHE 31 Cb 1.46 -0.21 -0.01 0.00 -0.00 0.00 0.00 35.95 37.19 1pd7 h PHE 31 CO 0.21 0.62 -0.40 -0.07 -0.00 0.00 0.00 178.31 178.66 1pd7 h LEU 32 N 0.61 0.41 -1.05 2.10 3.38 -1.74 -2.69 115.31 116.32 1pd7 h LEU 32 Ca 0.15 -0.17 0.25 0.00 0.09 0.00 0.00 57.88 58.21 1pd7 h LEU 32 Cb 0.21 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 1pd7 h LEU 32 CO -0.01 0.77 0.61 -0.08 0.09 0.00 0.00 178.44 179.81 1pd7 h GLU 33 N 0.32 0.52 -0.25 1.13 4.81 -1.60 0.35 114.58 119.87 1pd7 h GLU 33 Ca 0.03 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1pd7 h GLU 33 Cb 0.85 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1pd7 h GLU 33 CO 0.07 0.35 -0.19 0.82 -0.73 0.00 0.00 179.01 179.32 1pd7 h ILE 34 N 0.54 1.31 0.00 2.32 2.04 -1.46 -3.01 117.51 119.25 1pd7 h ILE 34 Ca 0.65 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1pd7 h ILE 34 Cb 1.30 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1pd7 h ILE 34 CO -0.46 0.42 0.00 -0.07 0.00 0.00 0.00 178.15 178.04 1pd7 h LEU 35 N 0.29 0.00 -1.02 1.44 3.38 -1.06 -1.48 115.31 116.86 1pd7 h LEU 35 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1pd7 h LEU 35 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1pd7 h LEU 35 CO 0.05 0.00 -0.47 0.45 0.09 0.00 0.00 178.44 178.57 1pd7 h HIS 36 N 0.00 0.00 0.00 1.13 3.86 -0.23 -1.04 115.15 118.87 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 0.41 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1pd7 h HIS 36 CO 0.00 0.47 -0.02 1.15 0.86 0.00 0.00 177.93 180.38 1pd7 h THR 37 N 0.00 0.12 0.08 2.45 2.02 -1.18 0.14 112.91 116.53 1pd7 h THR 37 Ca -0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1pd7 h THR 37 Cb 0.87 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1pd7 h THR 37 CO 0.06 0.02 -0.04 0.22 0.37 0.00 0.00 175.52 176.15 1pd7 h TYR 38 N 0.00 -0.10 0.00 3.16 5.03 -1.50 -3.41 116.97 120.15 1pd7 h TYR 38 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1pd7 h TYR 38 Cb 0.23 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1pd7 h TYR 38 CO 0.00 -0.06 0.00 0.37 -1.32 0.00 0.00 178.16 177.15 1pd7 h GLN 39 N -0.89 0.00 -0.33 1.82 -0.00 -0.64 -2.79 115.11 112.29 1pd7 h GLN 39 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1pd7 h GLN 39 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 1pd7 h GLN 39 CO 0.02 0.00 0.08 0.87 0.00 0.00 0.00 178.83 179.80 1pd7 h LYS 40 N 0.00 0.52 -0.74 1.69 1.79 -1.24 -3.05 116.57 115.54 1pd7 h LYS 40 Ca 0.00 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1pd7 h LYS 40 Cb 0.70 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 1pd7 h LYS 40 CO 0.00 0.58 0.31 0.93 -1.08 0.00 0.00 179.45 180.19 1pd7 h GLU 41 N 0.37 1.10 0.00 3.15 5.08 -1.73 -3.22 114.58 119.34 1pd7 h GLU 41 Ca 0.10 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1pd7 h GLU 41 Cb 0.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1pd7 h GLU 41 CO 0.00 0.89 -0.43 0.37 -1.00 0.00 0.00 179.01 178.84 1pd7 h GLN 42 N 1.06 0.00 0.00 2.33 4.15 -1.55 -3.48 115.11 117.62 1pd7 h GLN 42 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1pd7 h GLN 42 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pd7 h GLN 42 CO -0.02 0.43 0.00 1.28 -1.93 0.00 0.00 178.83 178.59 1pd7 n LEU 43 N -3.44 0.00 -4.16 -2.39 4.77 -1.15 -1.62 117.00 109.00 1pd7 n LEU 43 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1pd7 n LEU 43 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1pd7 n LEU 43 CO 0.38 0.00 -0.32 1.57 -1.33 0.00 0.00 177.39 177.69 1pd7 n HIS 44 N 0.00 -1.25 -2.44 -1.77 -0.00 -1.26 -4.86 115.22 103.64 1pd7 n HIS 44 Ca 0.00 0.32 -0.40 0.00 -0.00 0.00 0.00 57.72 57.64 1pd7 n HIS 44 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 29.99 27.31 1pd7 n HIS 44 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1pd7 s THR 45 N -3.98 3.46 0.02 3.57 -1.32 -0.64 -5.02 115.64 111.74 1pd7 s THR 45 Ca 0.23 1.43 -0.10 0.00 -1.21 0.00 0.00 61.69 62.03 1pd7 s THR 45 Cb -0.13 -3.91 -0.05 0.00 -1.51 0.00 0.00 72.50 66.90 1pd7 s THR 45 CO 0.94 0.32 0.35 -0.54 -2.21 0.00 0.00 174.62 173.48 1pd7 s LYS 46 N -1.25 3.74 0.00 7.08 3.01 -1.26 -4.74 119.74 126.31 1pd7 s LYS 46 Ca 0.46 0.17 0.00 0.00 -1.01 0.00 0.00 55.97 55.59 1pd7 s LYS 46 Cb -0.32 -3.10 0.00 0.00 -1.01 0.00 0.00 37.83 33.39 1pd7 s LYS 46 CO 0.41 0.64 0.00 0.41 0.51 0.00 0.00 175.35 177.32 1pd7 n GLY 47 N 1.34 1.33 3.96 -3.33 0.00 -1.26 -5.01 105.19 102.22 1pd7 n GLY 47 Ca -0.12 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 2.87 0.71 1.61 1.70 -1.26 -5.11 118.95 119.47 1pd7 s ARG 48 Ca 0.00 -0.64 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 1pd7 s ARG 48 Cb 0.00 -2.55 0.02 0.00 -0.57 0.00 0.00 34.95 31.84 1pd7 s ARG 48 CO 0.00 -0.42 1.07 -1.25 -1.08 0.00 0.00 175.30 173.62 1pd7 s PRO 49 N -4.60 2.81 0.17 3.89 0.04 -1.26 -4.89 135.00 131.16 1pd7 s PRO 49 Ca 0.52 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1pd7 s PRO 49 Cb -0.10 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1pd7 s PRO 49 CO 0.38 -1.18 -0.14 0.12 0.04 0.00 0.00 177.00 176.22 1pd7 s PHE 50 N -3.07 1.60 0.00 0.56 5.36 -1.26 -5.08 117.98 116.09 1pd7 s PHE 50 Ca 0.58 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 1pd7 s PHE 50 Cb -0.14 -0.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 1pd7 s PHE 50 CO 0.55 0.27 0.00 0.54 -1.46 0.00 0.00 175.22 175.12 1pd7 n ARG 51 N -0.09 0.00 0.00 10.12 3.00 -1.26 -5.08 116.66 123.35 1pd7 n ARG 51 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.74 1pd7 n ARG 51 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pd7 n GLY 52 N 2.35 -0.05 0.00 -0.13 0.00 -1.26 -4.82 105.19 101.28 1pd7 n GLY 52 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.28 -2.97 1.61 0.00 -1.26 -5.00 117.12 110.78 1pd7 n MET 53 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.30 1pd7 n MET 53 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 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 -1.63 7.02 0.49 3.17 0.01 -1.26 -4.93 113.70 116.57 1pd7 s SER 54 Ca 0.00 1.24 0.31 0.00 1.31 0.00 0.00 55.95 58.81 1pd7 s SER 54 Cb 0.00 -2.44 1.21 0.00 0.21 0.00 0.00 66.02 65.00 1pd7 s SER 54 CO 0.00 -0.20 1.91 -0.33 0.41 0.00 0.00 173.24 175.03 1pd7 h GLU 55 N 6.90 0.00 -1.02 12.44 5.08 -1.95 0.11 114.58 136.14 1pd7 h GLU 55 Ca -0.38 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.25 1pd7 h GLU 55 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1pd7 h GLU 55 CO 0.77 0.00 0.61 0.93 -1.00 0.00 0.00 179.01 180.32 1pd7 h GLU 56 N 0.00 0.45 0.10 2.33 4.39 -1.94 -3.10 114.58 116.81 1pd7 h GLU 56 Ca 0.00 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.38 1pd7 h GLU 56 Cb 0.54 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1pd7 h GLU 56 CO 0.00 0.30 -1.49 1.05 -1.16 0.00 0.00 179.01 177.72 1pd7 h GLU 57 N 0.47 0.21 -0.21 2.33 4.11 -1.37 0.17 114.58 120.29 1pd7 h GLU 57 Ca 0.67 -0.35 -0.10 0.00 0.07 0.00 0.00 59.36 59.65 1pd7 h GLU 57 Cb 1.44 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1pd7 h GLU 57 CO -0.49 1.06 -0.29 -0.24 0.07 0.00 0.00 179.01 179.12 1pd7 h VAL 58 N 0.06 1.27 0.48 -1.06 3.04 -1.65 -0.77 116.25 117.62 1pd7 h VAL 58 Ca -0.22 -1.31 -0.02 0.00 -1.01 0.00 0.00 66.70 64.14 1pd7 h VAL 58 Cb 1.99 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 32.70 1pd7 h VAL 58 CO 0.15 0.41 -0.23 0.15 -1.01 0.00 0.00 177.57 177.04 1pd7 h PHE 59 N 0.37 -0.60 -0.81 3.17 3.04 -1.54 -3.20 116.94 117.36 1pd7 h PHE 59 Ca 0.05 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.17 1pd7 h PHE 59 Cb 0.70 0.20 -0.11 0.00 2.56 0.00 0.00 35.95 39.29 1pd7 h PHE 59 CO 0.02 -0.30 0.29 0.00 -2.02 0.00 0.00 178.31 176.30 1pd7 h THR 60 N -0.80 0.54 -0.11 4.41 1.03 0.17 -0.46 112.91 117.69 1pd7 h THR 60 Ca -0.07 -0.13 -0.13 0.00 -0.01 0.00 0.00 66.41 66.08 1pd7 h THR 60 Cb 0.56 0.13 0.01 0.00 -1.07 0.00 0.00 68.15 67.78 1pd7 h THR 60 CO 0.11 0.07 -0.43 -0.33 -0.01 0.00 0.00 175.52 174.92 1pd7 h GLU 61 N 0.37 0.48 -0.05 0.00 4.39 -1.30 -3.06 114.58 115.41 1pd7 h GLU 61 Ca 0.47 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1pd7 h GLU 61 Cb 0.82 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1pd7 h GLU 61 CO -0.49 1.00 0.04 0.28 -1.16 0.00 0.00 179.01 178.68 1pd7 h VAL 62 N 0.06 0.83 -0.28 3.13 2.07 -1.44 -2.43 116.25 118.19 1pd7 h VAL 62 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1pd7 h VAL 62 Cb 1.07 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1pd7 h VAL 62 CO 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 1pd7 h ALA 63 N 1.97 1.47 -0.36 1.67 0.00 -0.98 -2.30 119.26 120.72 1pd7 h ALA 63 Ca 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1pd7 h ALA 63 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pd7 h ALA 63 CO -0.00 0.38 -0.25 -0.91 0.00 0.00 0.00 179.25 178.47 1pd7 h ASN 64 N 0.42 0.73 -0.43 0.00 2.35 -1.48 -3.03 115.58 114.14 1pd7 h ASN 64 Ca 0.09 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 1pd7 h ASN 64 Cb 0.29 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1pd7 h ASN 64 CO 0.01 0.95 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.54 1pd7 h LEU 65 N 0.62 0.91 -2.90 1.61 4.07 -1.53 -3.20 115.31 114.90 1pd7 h LEU 65 Ca 0.08 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1pd7 h LEU 65 Cb 0.75 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1pd7 h LEU 65 CO 0.06 1.05 0.00 0.49 -1.08 0.00 0.00 178.44 178.96 1pd7 n PHE 66 N -4.14 1.16 -1.91 1.13 3.72 -1.10 -5.00 117.46 111.32 1pd7 n PHE 66 Ca 0.01 -0.54 -0.42 0.00 -0.05 0.00 0.00 57.45 56.45 1pd7 n PHE 66 Cb 0.40 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 1pd7 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1pd7 s ARG 67 N -1.31 4.08 0.00 -1.08 1.04 -1.15 -1.37 118.95 119.16 1pd7 s ARG 67 Ca 0.50 2.24 0.00 0.00 -1.04 0.00 0.00 55.73 57.42 1pd7 s ARG 67 Cb 0.28 -4.06 0.00 0.00 -2.04 0.00 0.00 34.95 29.13 1pd7 s ARG 67 CO 0.30 -0.99 0.00 0.41 -0.04 0.00 0.00 175.30 174.98 1pd7 n GLY 68 N 4.38 2.32 3.37 3.88 0.00 -1.26 -5.06 105.19 112.82 1pd7 n GLY 68 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.08 2.82 0.28 1.61 -0.21 -0.47 -4.93 119.66 118.68 1pd7 s GLN 69 Ca 0.00 -1.16 0.16 0.00 0.02 0.00 0.00 55.36 54.38 1pd7 s GLN 69 Cb 0.00 -3.81 0.08 0.00 1.00 0.00 0.00 33.01 30.28 1pd7 s GLN 69 CO 0.00 -0.78 1.41 1.05 -2.12 0.00 0.00 175.29 174.85 1pd7 h GLU 70 N 8.49 0.00 -0.43 2.91 4.11 -1.97 -3.35 114.58 124.33 1pd7 h GLU 70 Ca -0.25 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.26 1pd7 h GLU 70 Cb 1.10 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 1pd7 h GLU 70 CO 0.71 0.42 -0.13 0.22 0.07 0.00 0.00 179.01 180.29 1pd7 h ASP 71 N 0.00 -0.48 -0.13 3.06 3.58 -1.96 -1.51 116.42 118.99 1pd7 h ASP 71 Ca -0.02 0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 1pd7 h ASP 71 Cb 1.35 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 42.68 1pd7 h ASP 71 CO 0.05 -0.17 -0.19 -0.07 -2.88 0.00 0.00 179.24 175.99 1pd7 h LEU 72 N -0.03 0.52 0.00 2.28 3.38 -1.95 -2.56 115.31 116.95 1pd7 h LEU 72 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1pd7 h LEU 72 Cb 0.35 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1pd7 h LEU 72 CO -0.46 0.72 -0.08 -0.07 0.09 0.00 0.00 178.44 178.64 1pd7 h LEU 73 N 0.48 0.00 -0.17 1.67 -0.00 -1.68 -3.07 115.31 112.54 1pd7 h LEU 73 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1pd7 h LEU 73 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1pd7 h LEU 73 CO 0.04 0.06 0.01 0.77 -0.00 0.00 0.00 178.44 179.32 1pd7 h SER 74 N 0.00 0.29 1.32 -0.43 4.64 -0.86 -2.82 113.55 115.69 1pd7 h SER 74 Ca -0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1pd7 h SER 74 Cb 1.05 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1pd7 h SER 74 CO 0.01 0.50 0.00 -0.33 -0.87 0.00 0.00 176.83 176.14 1pd7 h GLU 75 N 0.06 0.00 0.00 4.77 5.08 -1.60 -1.83 114.58 121.07 1pd7 h GLU 75 Ca 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1pd7 h GLU 75 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1pd7 h GLU 75 CO 0.01 0.00 -0.25 0.35 -1.00 0.00 0.00 179.01 178.12 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.40 -3.12 116.94 120.31 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 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1pd7 h PHE 76 CO 0.00 0.25 0.00 0.78 -2.23 0.00 0.00 178.31 177.11 1pd7 h GLY 77 N 0.79 0.00 2.00 2.40 0.00 -1.09 -3.15 103.07 104.02 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 0.03 0.00 -0.13 0.06 0.00 0.00 0.00 176.54 176.50 1pd7 h GLN 78 N 0.00 0.00 0.00 4.80 3.07 -1.67 -2.88 115.11 118.43 1pd7 h GLN 78 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.63 1pd7 h GLN 78 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.84 1pd7 h GLN 78 CO 0.00 0.13 -1.25 0.34 0.09 0.00 0.00 178.83 178.14 1pd7 n PHE 79 N -3.75 0.23 -0.18 0.06 7.35 -1.24 -5.00 117.46 114.92 1pd7 n PHE 79 Ca -0.02 0.10 -0.06 0.00 -0.76 0.00 0.00 57.45 56.71 1pd7 n PHE 79 Cb 0.24 -0.69 -0.05 0.00 0.35 0.00 0.00 39.48 39.33 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1pd7 h LEU 80 N -1.00 -1.03 -9.43 -2.13 3.38 -1.46 -3.40 115.31 100.24 1pd7 h LEU 80 Ca -0.17 0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 1pd7 h LEU 80 Cb 1.06 0.45 0.01 0.00 0.09 0.00 0.00 40.66 42.27 1pd7 h LEU 80 CO -0.10 -0.13 0.81 -2.16 0.09 0.00 0.00 178.44 176.95 1pd7 s PRO 81 N -4.23 4.29 -0.04 1.13 0.04 -1.26 -4.94 135.00 129.99 1pd7 s PRO 81 Ca -0.06 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1pd7 s PRO 81 Cb 0.05 -3.48 -0.17 0.00 0.04 0.00 0.00 34.50 30.94 1pd7 s PRO 81 CO 0.30 -0.54 1.01 0.93 0.04 0.00 0.00 177.00 178.75 1pd7 h GLU 82 N 7.56 -0.21 0.00 4.56 5.08 -1.97 -3.43 114.58 126.17 1pd7 h GLU 82 Ca -0.40 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1pd7 h GLU 82 Cb 1.19 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1pd7 h GLU 82 CO 0.89 0.22 -0.46 0.00 -1.00 0.00 0.00 179.01 178.65 1pd7 n ALA 83 N -2.51 2.14 -2.76 3.43 0.00 -1.26 -5.07 120.51 114.49 1pd7 n ALA 83 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1pd7 n ALA 83 Cb 0.27 0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.07 -2.95 0.00 0.00 4.81 -1.26 -5.28 118.16 111.41 1pd7 n LYS 84 Ca 0.00 0.46 0.05 0.00 -0.87 0.00 0.00 58.31 57.95 1pd7 n LYS 84 Cb 0.23 -4.37 0.04 0.00 0.02 0.00 0.00 35.03 30.95 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11