#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 -0.86 0.00 1.62 2.88 -1.26 -4.85 113.62 111.15 1pd7 n SER 2 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1pd7 n SER 2 Cb 0.00 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1pd7 n SER 2 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1pd7 n ASP 3 N -0.12 0.00 -1.80 -3.46 5.68 -1.26 -5.06 116.55 110.52 1pd7 n ASP 3 Ca 0.00 0.05 -0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1pd7 n ASP 3 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.35 -3.48 -0.03 -1.12 7.64 -1.26 -4.96 113.62 110.06 1pd7 n SER 4 Ca 0.00 0.31 -0.14 0.00 1.01 0.00 0.00 58.87 60.06 1pd7 n SER 4 Cb 0.00 -2.07 -0.11 0.00 -1.01 0.00 0.00 64.21 61.02 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 0.70 1.51 0.00 0.44 2.07 -1.99 -3.13 116.25 115.85 1pd7 h VAL 5 Ca 0.00 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 1pd7 h VAL 5 Cb 0.04 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1pd7 h VAL 5 CO 0.03 0.43 -0.15 1.05 0.02 0.00 0.00 177.57 178.95 1pd7 h GLU 6 N -0.56 0.00 -0.17 1.57 4.11 -1.98 -0.31 114.58 117.23 1pd7 h GLU 6 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1pd7 h GLU 6 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1pd7 h GLU 6 CO 0.01 0.15 0.08 0.35 0.07 0.00 0.00 179.01 179.67 1pd7 h PHE 7 N 0.00 0.15 0.00 2.06 3.57 -1.92 -1.47 116.94 119.33 1pd7 h PHE 7 Ca -0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1pd7 h PHE 7 Cb 0.43 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1pd7 h PHE 7 CO 0.00 0.09 -0.26 -0.97 -2.23 0.00 0.00 178.31 174.94 1pd7 h ASN 8 N 0.18 0.00 0.80 0.41 -0.73 -1.06 0.41 115.58 115.59 1pd7 h ASN 8 Ca 0.07 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.01 1pd7 h ASN 8 Cb 0.02 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1pd7 h ASN 8 CO -0.05 0.26 -1.07 0.78 -0.37 0.00 0.00 177.43 176.99 1pd7 h ASN 9 N 0.00 0.19 -0.34 1.15 2.35 -1.09 -1.14 115.58 116.70 1pd7 h ASN 9 Ca -0.00 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.42 1pd7 h ASN 9 Cb 1.01 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1pd7 h ASN 9 CO 0.03 1.13 -0.28 0.00 -1.65 0.00 0.00 177.43 176.66 1pd7 h ALA 10 N 0.85 0.49 -0.31 -0.83 0.00 -0.50 -2.95 119.26 116.01 1pd7 h ALA 10 Ca -0.06 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1pd7 h ALA 10 Cb 1.80 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 1pd7 h ALA 10 CO 0.16 0.51 -0.09 0.82 0.00 0.00 0.00 179.25 180.64 1pd7 h ILE 11 N 0.57 0.65 -0.29 0.00 1.08 -0.89 -1.90 117.51 116.72 1pd7 h ILE 11 Ca 0.06 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.62 1pd7 h ILE 11 Cb 0.85 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1pd7 h ILE 11 CO 0.07 0.00 0.27 0.77 -0.69 0.00 0.00 178.15 178.57 1pd7 h SER 12 N -0.02 0.00 0.18 1.72 4.64 -1.14 0.28 113.55 119.21 1pd7 h SER 12 Ca 0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1pd7 h SER 12 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1pd7 h SER 12 CO -0.33 0.00 -0.09 0.22 -0.87 0.00 0.00 176.83 175.76 1pd7 h TYR 13 N 0.00 -0.23 -0.32 4.77 3.20 -1.18 -1.91 116.97 121.30 1pd7 h TYR 13 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 13 Cb 0.67 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1pd7 h TYR 13 CO 0.00 0.09 0.15 0.28 -1.64 0.00 0.00 178.16 177.04 1pd7 h VAL 14 N -0.98 1.12 -0.44 1.81 2.07 -1.10 -0.32 116.25 118.40 1pd7 h VAL 14 Ca -0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1pd7 h VAL 14 Cb 0.42 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1pd7 h VAL 14 CO 0.04 0.13 0.20 -1.13 0.02 0.00 0.00 177.57 176.83 1pd7 h ASN 15 N 0.45 0.59 -0.21 0.57 -1.24 -0.55 -0.17 115.58 115.02 1pd7 h ASN 15 Ca 0.11 -0.14 -0.06 0.00 0.71 0.00 0.00 56.30 56.92 1pd7 h ASN 15 Cb 0.06 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1pd7 h ASN 15 CO -0.02 0.57 -0.05 0.11 -1.29 0.00 0.00 177.43 176.76 1pd7 h LYS 16 N 0.57 0.54 0.34 6.67 1.57 -0.43 -0.30 116.57 125.54 1pd7 h LYS 16 Ca 0.15 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1pd7 h LYS 16 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1pd7 h LYS 16 CO -0.02 0.60 -0.17 0.82 -0.57 0.00 0.00 179.45 180.12 1pd7 h ILE 17 N 0.51 0.66 -0.62 1.86 2.04 -1.01 -1.83 117.51 119.12 1pd7 h ILE 17 Ca 0.10 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1pd7 h ILE 17 Cb 0.40 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1pd7 h ILE 17 CO 0.02 0.00 0.41 0.07 0.00 0.00 0.00 178.15 178.65 1pd7 h LYS 18 N -0.47 0.82 0.00 2.37 2.10 -0.75 0.58 116.57 121.21 1pd7 h LYS 18 Ca -0.05 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.53 1pd7 h LYS 18 Cb 0.36 -0.18 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1pd7 h LYS 18 CO 0.08 0.54 -0.09 1.15 -2.00 0.00 0.00 179.45 179.13 1pd7 h THR 19 N 0.84 0.18 0.02 0.07 2.02 -0.97 -3.19 112.91 111.88 1pd7 h THR 19 Ca 0.23 -1.09 -0.37 0.00 0.77 0.00 0.00 66.41 65.95 1pd7 h THR 19 Cb -0.09 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 1pd7 h THR 19 CO -0.05 0.09 -2.27 0.54 0.37 0.00 0.00 175.52 174.20 1pd7 n ARG 20 N -3.14 0.68 -0.99 6.66 1.74 -0.70 -4.38 116.66 116.53 1pd7 n ARG 20 Ca 0.03 0.14 -0.18 0.00 -0.77 0.00 0.00 57.85 57.07 1pd7 n ARG 20 Cb 0.51 -1.59 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1pd7 n ARG 20 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pd7 n PHE 21 N -3.10 1.45 -0.13 -1.55 3.72 0.16 -4.39 117.46 113.62 1pd7 n PHE 21 Ca -0.36 -1.92 -0.11 0.00 -0.05 0.00 0.00 57.45 55.02 1pd7 n PHE 21 Cb 1.06 -1.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 2.86 0.68 -0.83 4.37 3.38 -1.75 -2.26 115.31 121.77 1pd7 h LEU 22 Ca 0.30 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pd7 h LEU 22 Cb 0.90 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1pd7 h LEU 22 CO 0.74 0.83 0.00 0.47 0.09 0.00 0.00 178.44 180.57 1pd7 n ASP 23 N -4.45 1.26 -3.23 -0.43 8.00 -1.26 -4.22 116.55 112.22 1pd7 n ASP 23 Ca -0.01 -1.55 -0.25 0.00 0.71 0.00 0.00 54.79 53.69 1pd7 n ASP 23 Cb 0.29 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.02 2.10 1.58 1.24 8.25 -0.85 -4.97 115.22 122.59 1pd7 n HIS 24 Ca 0.17 -3.91 0.13 0.00 -0.26 0.00 0.00 57.72 53.85 1pd7 n HIS 24 Cb 0.28 -0.47 0.76 0.00 1.12 0.00 0.00 29.99 31.69 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 0.71 0.74 0.19 -0.41 -0.04 -1.19 -2.02 135.00 132.97 1pd7 n PRO 25 Ca 0.27 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1pd7 n PRO 25 Cb 0.48 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.55 0.54 4.11 -1.93 -3.31 114.58 113.44 1pd7 h GLU 26 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1pd7 h GLU 26 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1pd7 h GLU 26 CO 0.00 0.00 -0.08 0.82 0.07 0.00 0.00 179.01 179.82 1pd7 h ILE 27 N 0.00 1.27 -0.85 -1.06 1.08 -1.73 -0.38 117.51 115.84 1pd7 h ILE 27 Ca 0.00 -1.23 0.14 0.00 -0.39 0.00 0.00 64.86 63.38 1pd7 h ILE 27 Cb 0.92 0.92 -0.09 0.00 -3.07 0.00 0.00 36.82 35.50 1pd7 h ILE 27 CO 0.00 0.44 0.44 0.22 -0.69 0.00 0.00 178.15 178.56 1pd7 h TYR 28 N 0.92 0.77 0.14 1.37 3.20 -1.76 -0.04 116.97 121.56 1pd7 h TYR 28 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1pd7 h TYR 28 Cb 0.64 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1pd7 h TYR 28 CO 0.04 0.20 -0.07 0.00 -1.64 0.00 0.00 178.16 176.69 1pd7 h ARG 29 N 0.64 -0.18 0.01 1.82 2.47 -1.62 -3.38 114.38 114.14 1pd7 h ARG 29 Ca 0.46 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.98 1pd7 h ARG 29 Cb 0.63 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1pd7 h ARG 29 CO -0.35 0.23 -0.91 1.03 0.56 0.00 0.00 179.97 180.53 1pd7 h SER 30 N -0.65 0.26 -0.38 7.04 0.87 -0.53 -2.42 113.55 117.73 1pd7 h SER 30 Ca -0.02 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.24 1pd7 h SER 30 Cb 0.49 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1pd7 h SER 30 CO 0.03 1.04 -0.04 2.19 -0.53 0.00 0.00 176.83 179.51 1pd7 h PHE 31 N 0.10 0.85 -0.21 2.24 -0.00 -1.22 -2.73 116.94 115.98 1pd7 h PHE 31 Ca -0.05 -0.13 -0.18 0.00 -0.00 0.00 0.00 57.97 57.61 1pd7 h PHE 31 Cb 1.55 -0.23 -0.00 0.00 -0.00 0.00 0.00 35.95 37.27 1pd7 h PHE 31 CO 0.03 0.81 -0.58 -0.07 -0.00 0.00 0.00 178.31 178.50 1pd7 h LEU 32 N 0.73 0.74 -0.94 2.10 3.38 -1.72 -2.98 115.31 116.63 1pd7 h LEU 32 Ca 0.14 -0.41 0.23 0.00 0.09 0.00 0.00 57.88 57.93 1pd7 h LEU 32 Cb 0.51 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 1pd7 h LEU 32 CO 0.03 1.16 0.48 1.05 0.09 0.00 0.00 178.44 181.24 1pd7 h GLU 33 N 0.50 0.45 -0.08 1.13 4.11 -1.19 0.11 114.58 119.61 1pd7 h GLU 33 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1pd7 h GLU 33 Cb 1.16 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1pd7 h GLU 33 CO 0.12 0.30 0.00 0.82 0.07 0.00 0.00 179.01 180.32 1pd7 h ILE 34 N 0.46 1.25 -0.45 -1.06 2.04 -1.40 -3.19 117.51 115.16 1pd7 h ILE 34 Ca 0.60 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1pd7 h ILE 34 Cb 1.15 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1pd7 h ILE 34 CO -0.51 0.22 0.22 -0.07 0.00 0.00 0.00 178.15 178.01 1pd7 h LEU 35 N -0.14 0.56 -0.83 1.44 3.38 -1.08 -2.43 115.31 116.21 1pd7 h LEU 35 Ca 0.02 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.07 1pd7 h LEU 35 Cb 0.34 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1pd7 h LEU 35 CO 0.00 0.47 0.44 0.45 0.09 0.00 0.00 178.44 179.90 1pd7 h HIS 36 N 0.63 0.78 -0.06 1.13 3.86 -0.83 0.19 115.15 120.84 1pd7 h HIS 36 Ca 0.16 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1pd7 h HIS 36 Cb 0.06 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1pd7 h HIS 36 CO 0.00 0.25 -0.12 1.15 0.86 0.00 0.00 177.93 180.07 1pd7 h THR 37 N 0.68 1.13 0.19 2.45 2.02 -1.43 -2.19 112.91 115.75 1pd7 h THR 37 Ca 0.43 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1pd7 h THR 37 Cb 0.52 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1pd7 h THR 37 CO -0.31 0.17 -0.09 0.22 0.37 0.00 0.00 175.52 175.87 1pd7 h TYR 38 N 0.09 -0.24 0.00 3.16 3.20 -1.36 -3.03 116.97 118.79 1pd7 h TYR 38 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1pd7 h TYR 38 Cb 0.27 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1pd7 h TYR 38 CO 0.00 -0.15 0.00 0.37 -1.64 0.00 0.00 178.16 176.74 1pd7 h GLN 39 N -0.96 0.00 -0.93 1.82 -0.00 -0.36 -2.84 115.11 111.85 1pd7 h GLN 39 Ca -0.03 0.00 0.20 0.00 -0.00 0.00 0.00 58.65 58.83 1pd7 h GLN 39 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.60 1pd7 h GLN 39 CO 0.04 0.00 0.61 -0.22 0.00 0.00 0.00 178.83 179.26 1pd7 h LYS 40 N 0.00 0.44 -0.76 1.69 1.63 -1.63 -2.52 116.57 115.42 1pd7 h LYS 40 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1pd7 h LYS 40 Cb 0.16 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1pd7 h LYS 40 CO 0.00 0.29 0.36 1.05 -3.45 0.00 0.00 179.45 177.70 1pd7 h GLU 41 N 0.46 1.11 -4.45 1.90 -0.00 -1.81 -3.47 114.58 108.31 1pd7 h GLU 41 Ca 0.49 -0.17 -0.39 0.00 -0.00 0.00 0.00 59.36 59.29 1pd7 h GLU 41 Cb 1.15 -0.20 0.02 0.00 -0.00 0.00 0.00 28.75 29.72 1pd7 h GLU 41 CO -0.21 0.87 -0.57 0.94 -0.00 0.00 0.00 179.01 180.04 1pd7 n GLN 42 N -4.37 -4.06 -1.17 1.06 7.27 -0.95 -1.90 117.38 113.26 1pd7 n GLN 42 Ca 0.07 0.82 -0.06 0.00 0.07 0.00 0.00 57.00 57.90 1pd7 n GLN 42 Cb 0.14 -5.61 -0.02 0.00 2.41 0.00 0.00 30.24 27.16 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 -3.78 -0.00 -3.56 1.69 4.77 -1.26 -4.92 117.00 109.94 1pd7 n LEU 43 Ca -0.11 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1pd7 n LEU 43 Cb 0.61 -2.00 -0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1pd7 n LEU 43 CO 0.44 -0.73 2.22 1.41 -1.33 0.00 0.00 177.39 179.40 1pd7 n HIS 44 N -2.41 2.65 -2.57 -1.77 8.25 -0.80 -4.94 115.22 113.63 1pd7 n HIS 44 Ca -0.06 -2.79 -0.41 0.00 -0.26 0.00 0.00 57.72 54.20 1pd7 n HIS 44 Cb 0.40 -1.78 -0.03 0.00 1.12 0.00 0.00 29.99 29.71 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1pd7 s THR 45 N -1.28 3.82 -0.22 1.59 2.01 -1.26 -4.78 115.64 115.51 1pd7 s THR 45 Ca 0.50 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.39 1pd7 s THR 45 Cb 0.17 -4.95 -0.19 0.00 0.01 0.00 0.00 72.50 67.54 1pd7 s THR 45 CO -0.08 -1.87 0.00 1.17 -0.69 0.00 0.00 174.62 173.16 1pd7 n LYS 46 N 9.13 0.64 0.00 4.92 4.81 -1.26 -5.03 118.16 131.38 1pd7 n LYS 46 Ca 0.13 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1pd7 n LYS 46 Cb 0.50 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 1.75 3.10 3.97 3.14 0.00 -1.26 -5.15 105.19 110.73 1pd7 n GLY 47 Ca -0.41 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 2.56 3.36 0.68 1.61 1.70 -1.26 -5.10 118.95 122.50 1pd7 s ARG 48 Ca 0.00 -0.82 -0.13 0.00 -0.47 0.00 0.00 55.73 54.31 1pd7 s ARG 48 Cb 0.00 -2.86 0.01 0.00 -0.57 0.00 0.00 34.95 31.52 1pd7 s ARG 48 CO 0.00 0.36 1.08 -1.25 -1.08 0.00 0.00 175.30 174.40 1pd7 s PRO 49 N -4.01 2.86 0.00 3.89 0.04 -1.26 -5.02 135.00 131.50 1pd7 s PRO 49 Ca 0.36 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1pd7 s PRO 49 Cb -0.09 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1pd7 s PRO 49 CO 0.29 -1.17 0.00 0.34 0.04 0.00 0.00 177.00 176.50 1pd7 n PHE 50 N -2.79 0.00 -0.07 0.56 7.35 -1.26 -5.00 117.46 116.25 1pd7 n PHE 50 Ca 0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.69 1pd7 n PHE 50 Cb 0.53 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.30 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1pd7 h ARG 51 N 0.00 0.00 -6.28 -4.13 2.47 -1.95 -3.45 114.38 101.04 1pd7 h ARG 51 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1pd7 h ARG 51 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1pd7 h ARG 51 CO 0.00 0.41 1.23 0.20 0.56 0.00 0.00 179.97 182.38 1pd7 s GLY 52 N -4.11 0.75 0.00 0.04 0.00 -1.15 -4.70 107.32 98.15 1pd7 s GLY 52 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1pd7 s GLY 52 CO 0.32 3.16 0.00 1.15 0.00 0.00 0.00 173.10 177.73 1pd7 n MET 53 N 8.52 0.00 -4.21 2.90 0.00 -1.26 -4.89 117.12 118.18 1pd7 n MET 53 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.67 1pd7 n MET 53 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.64 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 -1.00 4.92 0.48 3.17 0.01 -1.26 -5.02 113.70 115.01 1pd7 s SER 54 Ca 0.00 -0.45 0.19 0.00 1.31 0.00 0.00 55.95 57.00 1pd7 s SER 54 Cb 0.00 -1.07 1.21 0.00 0.21 0.00 0.00 66.02 66.37 1pd7 s SER 54 CO 0.00 0.01 2.04 1.05 0.41 0.00 0.00 173.24 176.76 1pd7 h GLU 55 N 1.97 0.00 -0.70 12.44 9.09 -2.00 -3.11 114.58 132.28 1pd7 h GLU 55 Ca -0.46 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.03 1pd7 h GLU 55 Cb 1.23 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.27 1pd7 h GLU 55 CO 0.60 0.14 0.36 0.93 0.05 0.00 0.00 179.01 181.09 1pd7 h GLU 56 N 0.00 0.62 0.05 1.06 5.08 -1.98 -1.39 114.58 118.01 1pd7 h GLU 56 Ca -0.00 -0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1pd7 h GLU 56 Cb 0.28 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1pd7 h GLU 56 CO 0.02 0.41 -1.42 1.05 -1.00 0.00 0.00 179.01 178.07 1pd7 h GLU 57 N 0.63 0.11 -0.48 2.33 4.11 -1.96 -0.13 114.58 119.18 1pd7 h GLU 57 Ca 0.33 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 1pd7 h GLU 57 Cb 0.30 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1pd7 h GLU 57 CO -0.24 0.92 0.26 -0.24 0.07 0.00 0.00 179.01 179.78 1pd7 h VAL 58 N 0.03 1.17 0.20 -1.06 3.04 -1.58 0.23 116.25 118.28 1pd7 h VAL 58 Ca -0.18 -0.44 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1pd7 h VAL 58 Cb 1.94 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 1pd7 h VAL 58 CO 0.13 0.18 -0.14 0.15 -1.01 0.00 0.00 177.57 176.88 1pd7 h PHE 59 N 0.64 -0.37 -0.90 3.17 3.57 -1.29 -2.52 116.94 119.24 1pd7 h PHE 59 Ca 0.17 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.83 1pd7 h PHE 59 Cb 0.06 0.14 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1pd7 h PHE 59 CO -0.02 -0.22 0.48 0.00 -2.23 0.00 0.00 178.31 176.32 1pd7 h THR 60 N -0.35 0.72 -0.07 4.41 1.03 -0.41 -0.82 112.91 117.42 1pd7 h THR 60 Ca -0.01 -0.23 -0.04 0.00 -0.01 0.00 0.00 66.41 66.13 1pd7 h THR 60 Cb 0.30 -0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.38 1pd7 h THR 60 CO -0.00 0.12 -0.09 -0.33 -0.01 0.00 0.00 175.52 175.21 1pd7 h GLU 61 N 0.66 0.19 -0.61 0.00 4.39 -0.96 -3.19 114.58 115.07 1pd7 h GLU 61 Ca 0.50 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 60.16 1pd7 h GLU 61 Cb 0.73 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1pd7 h GLU 61 CO -0.37 0.65 0.40 0.28 -1.16 0.00 0.00 179.01 178.81 1pd7 h VAL 62 N -0.25 0.96 0.00 3.13 2.07 -0.98 -1.69 116.25 119.48 1pd7 h VAL 62 Ca 0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1pd7 h VAL 62 Cb 0.62 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1pd7 h VAL 62 CO 0.02 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 177.57 1pd7 h ALA 63 N 1.68 1.42 -0.20 1.67 0.00 -1.15 -2.39 119.26 120.29 1pd7 h ALA 63 Ca 0.27 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1pd7 h ALA 63 Cb 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pd7 h ALA 63 CO -0.08 0.17 -0.19 -0.91 0.00 0.00 0.00 179.25 178.24 1pd7 h ASN 64 N 0.00 0.52 0.28 0.00 2.35 -1.31 -2.41 115.58 115.01 1pd7 h ASN 64 Ca -0.00 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1pd7 h ASN 64 Cb 0.32 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1pd7 h ASN 64 CO 0.02 0.88 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.39 1pd7 h LEU 65 N 0.16 0.00 -0.12 1.61 4.07 -1.49 -2.88 115.31 116.66 1pd7 h LEU 65 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1pd7 h LEU 65 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1pd7 h LEU 65 CO 0.05 0.22 -0.80 0.49 -1.08 0.00 0.00 178.44 177.31 1pd7 n PHE 66 N -4.10 0.00 -1.67 1.13 3.72 -1.15 -5.03 117.46 110.36 1pd7 n PHE 66 Ca -0.02 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.81 1pd7 n PHE 66 Cb 0.29 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.76 1pd7 n PHE 66 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1pd7 n ARG 67 N -1.26 1.01 0.00 -1.08 0.63 -0.91 -1.35 116.66 113.70 1pd7 n ARG 67 Ca 0.04 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1pd7 n ARG 67 Cb 0.30 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.19 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 3.54 1.82 3.45 5.14 0.00 -1.26 -5.03 105.19 112.85 1pd7 n GLY 68 Ca 0.24 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 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 3.09 0.20 1.61 -0.21 -0.46 -4.90 119.66 119.00 1pd7 s GLN 69 Ca 0.00 -0.92 0.11 0.00 0.02 0.00 0.00 55.36 54.57 1pd7 s GLN 69 Cb 0.00 -4.06 -0.07 0.00 1.00 0.00 0.00 33.01 29.87 1pd7 s GLN 69 CO 0.00 -1.08 1.35 1.05 -2.12 0.00 0.00 175.29 174.49 1pd7 h GLU 70 N 8.87 0.00 -0.89 2.91 4.11 -1.96 -3.37 114.58 124.26 1pd7 h GLU 70 Ca -0.27 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.24 1pd7 h GLU 70 Cb 1.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1pd7 h GLU 70 CO 0.90 0.74 0.58 0.22 0.07 0.00 0.00 179.01 181.51 1pd7 h ASP 71 N 0.00 0.84 -0.06 3.06 3.58 -1.96 -2.21 116.42 119.66 1pd7 h ASP 71 Ca -0.01 0.02 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 1pd7 h ASP 71 Cb 1.58 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 42.49 1pd7 h ASP 71 CO 0.10 0.51 -0.88 -0.07 -2.88 0.00 0.00 179.24 176.02 1pd7 h LEU 72 N 0.94 0.88 -0.61 2.28 3.38 -1.97 -3.28 115.31 116.93 1pd7 h LEU 72 Ca 0.40 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pd7 h LEU 72 Cb 0.32 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pd7 h LEU 72 CO -0.16 1.45 0.00 -0.07 0.09 0.00 0.00 178.44 179.75 1pd7 h LEU 73 N 0.39 0.00 0.24 1.67 -0.00 -1.61 -1.32 115.31 114.68 1pd7 h LEU 73 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1pd7 h LEU 73 Cb 1.53 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.19 1pd7 h LEU 73 CO 0.18 0.00 -0.14 -1.28 -0.00 0.00 0.00 178.44 177.19 1pd7 h SER 74 N 0.00 -0.35 0.95 -0.43 0.87 -1.51 -2.52 113.55 110.55 1pd7 h SER 74 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1pd7 h SER 74 Cb 0.76 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1pd7 h SER 74 CO 0.00 -0.23 0.00 -0.33 -0.53 0.00 0.00 176.83 175.74 1pd7 h GLU 75 N -0.37 0.00 0.00 2.24 4.39 -1.54 -1.66 114.58 117.65 1pd7 h GLU 75 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1pd7 h GLU 75 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1pd7 h GLU 75 CO 0.03 0.00 -0.00 0.35 -1.16 0.00 0.00 179.01 178.23 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.93 -3.23 116.94 120.69 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 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1pd7 h PHE 76 CO 0.00 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 176.86 1pd7 h GLY 77 N 2.35 0.00 0.33 2.40 0.00 -0.88 -3.36 103.07 103.91 1pd7 h GLY 77 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1pd7 h GLY 77 CO 0.00 0.00 0.15 1.46 0.00 0.00 0.00 176.54 178.15 1pd7 h GLN 78 N 0.00 0.29 0.00 4.80 1.08 -1.67 -2.82 115.11 116.79 1pd7 h GLN 78 Ca 0.00 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 56.95 1pd7 h GLN 78 Cb 0.85 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.17 1pd7 h GLN 78 CO 0.00 0.19 -2.22 0.34 -0.95 0.00 0.00 178.83 176.19 1pd7 n PHE 79 N -5.07 0.02 0.00 2.96 -0.00 -1.26 -4.88 117.46 109.23 1pd7 n PHE 79 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1pd7 n PHE 79 Cb 0.27 -0.82 0.00 0.00 -0.00 0.00 0.00 39.48 38.93 1pd7 n PHE 79 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1pd7 n LEU 80 N -2.58 0.53 -4.78 -2.13 4.77 -1.06 -4.80 117.00 106.95 1pd7 n LEU 80 Ca -0.22 0.28 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 1pd7 n LEU 80 Cb 0.94 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.12 1pd7 n LEU 80 CO 0.44 0.00 0.70 -2.16 -1.33 0.00 0.00 177.39 175.04 1pd7 s PRO 81 N -0.56 2.01 0.00 3.23 0.04 -1.25 -5.05 135.00 133.42 1pd7 s PRO 81 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1pd7 s PRO 81 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1pd7 s PRO 81 CO 0.00 -1.70 0.00 -0.85 0.04 0.00 0.00 177.00 174.49 1pd7 n GLU 82 N -3.51 0.00 -0.05 4.56 -0.00 -1.26 -4.95 120.64 115.44 1pd7 n GLU 82 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.17 1pd7 n GLU 82 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.94 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pd7 n ALA 83 N -3.00 1.78 -2.96 -1.84 0.00 -1.26 -5.04 120.51 108.19 1pd7 n ALA 83 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1pd7 n ALA 83 Cb 0.00 0.17 0.05 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.60 -1.79 -0.91 0.00 5.02 -1.26 -5.31 118.16 111.31 1pd7 n LYS 84 Ca -0.17 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1pd7 n LYS 84 Cb 0.74 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42