#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 0.11 0.11 1.62 1.04 -1.26 -5.05 113.70 110.27 1pd7 s SER 2 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1pd7 s SER 2 Cb 0.00 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1pd7 s SER 2 CO 0.00 -0.41 0.00 -0.67 0.98 0.00 0.00 173.24 173.14 1pd7 n ASP 3 N 1.24 1.03 -4.23 7.02 2.03 -1.26 -4.89 116.55 117.48 1pd7 n ASP 3 Ca -0.22 0.16 -0.43 0.00 0.52 0.00 0.00 54.79 54.81 1pd7 n ASP 3 Cb 0.56 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 -3.49 5.22 -0.05 1.67 7.64 -1.26 -4.75 113.62 118.61 1pd7 n SER 4 Ca 0.00 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.73 1pd7 n SER 4 Cb 0.01 -1.52 -0.10 0.00 -1.01 0.00 0.00 64.21 61.59 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 4.24 1.31 0.00 0.44 2.07 -1.99 -2.99 116.25 119.33 1pd7 h VAL 5 Ca 0.34 -1.87 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 1pd7 h VAL 5 Cb 0.77 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1pd7 h VAL 5 CO 1.38 0.42 -0.36 1.05 0.02 0.00 0.00 177.57 180.09 1pd7 h GLU 6 N -0.95 0.00 -0.50 1.57 4.11 -1.99 -0.98 114.58 115.84 1pd7 h GLU 6 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1pd7 h GLU 6 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1pd7 h GLU 6 CO 0.00 0.36 0.20 0.35 0.07 0.00 0.00 179.01 179.98 1pd7 h PHE 7 N 0.00 0.76 0.00 2.06 3.57 -1.95 -2.44 116.94 118.95 1pd7 h PHE 7 Ca -0.00 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 1pd7 h PHE 7 Cb 0.83 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1pd7 h PHE 7 CO 0.00 0.64 -0.58 -0.91 -2.23 0.00 0.00 178.31 175.22 1pd7 h ASN 8 N 0.66 0.00 0.03 0.41 2.35 -1.21 -0.28 115.58 117.54 1pd7 h ASN 8 Ca 0.16 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1pd7 h ASN 8 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1pd7 h ASN 8 CO -0.01 0.58 -0.17 0.78 -1.65 0.00 0.00 177.43 176.96 1pd7 h ASN 9 N 0.00 0.26 -0.04 5.81 2.35 -1.18 0.12 115.58 122.90 1pd7 h ASN 9 Ca -0.01 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1pd7 h ASN 9 Cb 1.42 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.72 1pd7 h ASN 9 CO 0.08 0.45 -0.03 0.00 -1.65 0.00 0.00 177.43 176.28 1pd7 h ALA 10 N 1.58 0.06 -0.41 -0.83 0.00 -0.83 -3.00 119.26 115.83 1pd7 h ALA 10 Ca 0.05 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1pd7 h ALA 10 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1pd7 h ALA 10 CO 0.03 -0.18 0.10 0.82 0.00 0.00 0.00 179.25 180.02 1pd7 h ILE 11 N -0.32 0.81 -1.00 0.00 1.08 -0.83 -1.53 117.51 115.73 1pd7 h ILE 11 Ca 0.01 -0.08 0.15 0.00 -0.39 0.00 0.00 64.86 64.55 1pd7 h ILE 11 Cb 0.49 0.55 -0.10 0.00 -3.07 0.00 0.00 36.82 34.69 1pd7 h ILE 11 CO 0.01 0.04 0.61 -1.28 -0.69 0.00 0.00 178.15 176.85 1pd7 h SER 12 N 0.24 0.85 0.29 1.72 0.87 -0.85 0.23 113.55 116.90 1pd7 h SER 12 Ca 0.20 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1pd7 h SER 12 Cb 0.23 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1pd7 h SER 12 CO -0.24 0.38 -0.14 0.22 -0.53 0.00 0.00 176.83 176.52 1pd7 h TYR 13 N 0.88 -0.36 -0.55 2.24 3.20 -1.16 -1.78 116.97 119.43 1pd7 h TYR 13 Ca 0.53 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.44 1pd7 h TYR 13 Cb 0.68 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.02 1pd7 h TYR 13 CO -0.01 -0.02 0.28 0.28 -1.64 0.00 0.00 178.16 177.05 1pd7 h VAL 14 N -0.77 0.96 -1.00 1.81 2.07 -0.99 -2.09 116.25 116.23 1pd7 h VAL 14 Ca -0.04 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1pd7 h VAL 14 Cb 0.51 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1pd7 h VAL 14 CO 0.07 0.10 0.65 -1.13 0.02 0.00 0.00 177.57 177.27 1pd7 h ASN 15 N 0.54 1.04 -0.62 0.57 -0.00 -0.60 0.15 115.58 116.66 1pd7 h ASN 15 Ca 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.48 1pd7 h ASN 15 Cb 0.15 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.22 1pd7 h ASN 15 CO -0.17 0.68 0.13 0.50 -0.00 0.00 0.00 177.43 178.57 1pd7 h LYS 16 N 1.19 1.02 0.24 6.67 3.64 -0.72 -0.16 116.57 128.45 1pd7 h LYS 16 Ca 0.42 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1pd7 h LYS 16 Cb 0.13 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1pd7 h LYS 16 CO -0.16 0.94 -0.12 0.82 -2.27 0.00 0.00 179.45 178.66 1pd7 h ILE 17 N 0.93 0.76 -0.57 2.00 2.04 -1.15 -1.84 117.51 119.67 1pd7 h ILE 17 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1pd7 h ILE 17 Cb 0.39 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1pd7 h ILE 17 CO 0.01 0.00 0.33 0.07 0.00 0.00 0.00 178.15 178.56 1pd7 h LYS 18 N -0.33 0.77 -0.03 2.37 5.09 -0.80 -0.57 116.57 123.08 1pd7 h LYS 18 Ca -0.03 -0.07 -0.21 0.00 0.09 0.00 0.00 60.65 60.43 1pd7 h LYS 18 Cb 0.25 -0.16 -0.00 0.00 0.10 0.00 0.00 32.23 32.42 1pd7 h LYS 18 CO 0.05 0.55 -0.87 1.15 -2.09 0.00 0.00 179.45 178.24 1pd7 h THR 19 N 0.79 1.40 0.00 0.07 2.02 -0.92 -3.34 112.91 112.93 1pd7 h THR 19 Ca 0.21 -2.36 -0.27 0.00 0.77 0.00 0.00 66.41 64.75 1pd7 h THR 19 Cb -0.01 2.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 1pd7 h THR 19 CO -0.04 0.71 -1.59 0.08 0.37 0.00 0.00 175.52 175.05 1pd7 h ARG 20 N 0.24 0.00 -2.08 6.66 0.11 -1.08 -3.36 114.38 114.87 1pd7 h ARG 20 Ca -0.06 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.56 1pd7 h ARG 20 Cb 1.48 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.42 1pd7 h ARG 20 CO 0.15 0.55 0.49 1.19 0.10 0.00 0.00 179.97 182.45 1pd7 n PHE 21 N -3.08 1.34 0.04 4.08 3.72 -0.24 -4.22 117.46 119.09 1pd7 n PHE 21 Ca -0.14 -1.95 -0.11 0.00 -0.05 0.00 0.00 57.45 55.19 1pd7 n PHE 21 Cb 1.03 -1.50 -0.13 0.00 -0.94 0.00 0.00 39.48 37.93 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 4.41 0.16 -0.82 4.37 3.38 -1.72 -3.05 115.31 122.04 1pd7 h LEU 22 Ca 0.39 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1pd7 h LEU 22 Cb 0.85 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pd7 h LEU 22 CO 0.81 1.19 0.00 0.44 0.09 0.00 0.00 178.44 180.97 1pd7 h ASP 23 N 0.03 0.00 -2.13 -0.43 3.32 -1.92 -3.35 116.42 111.94 1pd7 h ASP 23 Ca -0.17 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.31 1pd7 h ASP 23 Cb 1.93 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.07 1pd7 h ASP 23 CO 0.13 0.00 -0.84 1.41 -1.72 0.00 0.00 179.24 178.22 1pd7 n HIS 24 N -2.82 2.05 1.59 4.55 8.25 -1.21 -4.95 115.22 122.69 1pd7 n HIS 24 Ca 0.02 -3.90 0.13 0.00 -0.26 0.00 0.00 57.72 53.71 1pd7 n HIS 24 Cb 0.35 -0.46 0.76 0.00 1.12 0.00 0.00 29.99 31.75 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 0.70 0.79 0.21 -0.41 -0.04 -1.16 -2.01 135.00 133.08 1pd7 n PRO 25 Ca 0.27 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1pd7 n PRO 25 Cb 0.48 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.32 0.54 4.11 -1.92 -3.14 114.58 113.84 1pd7 h GLU 26 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1pd7 h GLU 26 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pd7 h GLU 26 CO 0.00 0.05 -0.31 0.82 0.07 0.00 0.00 179.01 179.64 1pd7 h ILE 27 N 0.00 1.28 0.00 -1.06 1.08 -1.74 -1.58 117.51 115.49 1pd7 h ILE 27 Ca -0.00 -1.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.02 1pd7 h ILE 27 Cb 1.04 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1pd7 h ILE 27 CO 0.01 0.47 -0.02 0.22 -0.69 0.00 0.00 178.15 178.13 1pd7 h TYR 28 N 0.59 0.00 0.00 1.37 3.20 -1.71 0.12 116.97 120.54 1pd7 h TYR 28 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1pd7 h TYR 28 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1pd7 h TYR 28 CO 0.04 0.02 -0.03 0.00 -1.64 0.00 0.00 178.16 176.55 1pd7 h ARG 29 N 0.00 0.00 0.00 1.82 2.47 -1.55 -3.41 114.38 113.71 1pd7 h ARG 29 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pd7 h ARG 29 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1pd7 h ARG 29 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 179.97 181.30 1pd7 h SER 30 N -0.83 0.00 -0.47 7.04 0.02 -0.77 -2.02 113.55 116.52 1pd7 h SER 30 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1pd7 h SER 30 Cb 0.03 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.47 1pd7 h SER 30 CO 0.00 0.00 -0.31 0.15 -1.14 0.00 0.00 176.83 175.53 1pd7 h PHE 31 N 0.00 -0.85 0.00 3.45 3.57 -1.03 -2.62 116.94 119.47 1pd7 h PHE 31 Ca 0.00 0.06 -0.24 0.00 3.53 0.00 0.00 57.97 61.32 1pd7 h PHE 31 Cb 0.78 0.44 0.01 0.00 2.79 0.00 0.00 35.95 39.98 1pd7 h PHE 31 CO 0.00 -0.37 -0.99 -0.07 -2.23 0.00 0.00 178.31 174.65 1pd7 h LEU 32 N -0.20 0.67 -0.95 0.59 3.38 -1.60 -2.95 115.31 114.25 1pd7 h LEU 32 Ca 0.20 -0.54 0.21 0.00 0.09 0.00 0.00 57.88 57.84 1pd7 h LEU 32 Cb 0.53 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 1pd7 h LEU 32 CO -0.59 1.34 0.51 -0.33 0.09 0.00 0.00 178.44 179.47 1pd7 h GLU 33 N 0.29 0.55 -0.18 1.13 5.08 -1.39 0.28 114.58 120.34 1pd7 h GLU 33 Ca -0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1pd7 h GLU 33 Cb 1.63 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1pd7 h GLU 33 CO 0.18 0.36 0.03 0.82 -1.00 0.00 0.00 179.01 179.40 1pd7 h ILE 34 N 0.57 1.22 0.00 3.13 2.04 -1.38 -2.59 117.51 120.50 1pd7 h ILE 34 Ca 0.58 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1pd7 h ILE 34 Cb 1.03 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1pd7 h ILE 34 CO -0.46 0.22 -0.16 -0.07 0.00 0.00 0.00 178.15 177.68 1pd7 h LEU 35 N 0.10 0.00 -1.00 1.44 3.38 -1.07 -1.45 115.31 116.70 1pd7 h LEU 35 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1pd7 h LEU 35 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1pd7 h LEU 35 CO 0.00 0.16 -0.49 0.45 0.09 0.00 0.00 178.44 178.66 1pd7 h HIS 36 N 0.00 0.03 -0.00 1.13 3.86 -0.43 0.31 115.15 120.06 1pd7 h HIS 36 Ca -0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1pd7 h HIS 36 Cb 0.33 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1pd7 h HIS 36 CO 0.00 0.51 -0.03 1.15 0.86 0.00 0.00 177.93 180.41 1pd7 h THR 37 N 0.02 1.03 0.19 2.45 2.02 -0.86 -0.80 112.91 116.97 1pd7 h THR 37 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1pd7 h THR 37 Cb 0.87 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1pd7 h THR 37 CO 0.06 0.03 -0.09 0.22 0.37 0.00 0.00 175.52 176.12 1pd7 h TYR 38 N 0.00 -0.24 0.00 3.16 3.20 -1.34 -3.42 116.97 118.33 1pd7 h TYR 38 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1pd7 h TYR 38 Cb 0.06 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1pd7 h TYR 38 CO 0.00 -0.15 0.00 -0.56 -1.64 0.00 0.00 178.16 175.81 1pd7 h GLN 39 N -0.76 0.00 -0.81 1.82 -0.00 -0.52 -2.77 115.11 112.07 1pd7 h GLN 39 Ca -0.03 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 58.83 1pd7 h GLN 39 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.63 1pd7 h GLN 39 CO 0.04 0.00 0.56 -0.22 -0.00 0.00 0.00 178.83 179.21 1pd7 h LYS 40 N 0.00 0.18 0.00 0.06 3.64 -1.40 -1.84 116.57 117.21 1pd7 h LYS 40 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1pd7 h LYS 40 Cb 0.66 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1pd7 h LYS 40 CO 0.00 0.12 -0.05 0.93 -2.27 0.00 0.00 179.45 178.18 1pd7 h GLU 41 N 0.19 0.00 0.00 1.90 4.39 -1.75 -2.02 114.58 117.29 1pd7 h GLU 41 Ca 0.40 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.08 1pd7 h GLU 41 Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1pd7 h GLU 41 CO -0.08 0.05 -0.15 0.37 -1.16 0.00 0.00 179.01 178.04 1pd7 h GLN 42 N 0.00 0.00 -0.49 2.33 4.15 -1.55 -3.33 115.11 116.21 1pd7 h GLN 42 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pd7 h GLN 42 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1pd7 h GLN 42 CO 0.01 0.07 0.00 1.28 -1.93 0.00 0.00 178.83 178.26 1pd7 n LEU 43 N -3.09 2.61 -0.04 -2.39 4.77 -0.76 -4.51 117.00 113.60 1pd7 n LEU 43 Ca 0.03 -1.31 -0.02 0.00 -0.03 0.00 0.00 56.01 54.68 1pd7 n LEU 43 Cb 0.56 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1pd7 n LEU 43 CO 0.35 0.59 -0.18 -0.74 -1.33 0.00 0.00 177.39 176.08 1pd7 h HIS 44 N 2.62 0.00 -3.01 -1.77 2.76 -1.69 -3.50 115.15 110.56 1pd7 h HIS 44 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1pd7 h HIS 44 Cb 0.71 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.54 1pd7 h HIS 44 CO 0.35 0.00 0.14 -0.08 -1.30 0.00 0.00 177.93 177.04 1pd7 s THR 45 N -1.67 0.02 -0.32 6.26 -1.32 -1.26 -5.15 115.64 112.20 1pd7 s THR 45 Ca -0.08 -0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.25 1pd7 s THR 45 Cb 0.01 -1.03 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 1pd7 s THR 45 CO 0.12 -0.07 0.03 -0.75 -2.21 0.00 0.00 174.62 171.73 1pd7 s LYS 46 N -3.54 2.37 0.00 7.08 2.20 -1.26 -4.59 119.74 122.00 1pd7 s LYS 46 Ca 0.00 -1.34 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1pd7 s LYS 46 Cb -0.00 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1pd7 s LYS 46 CO -0.11 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.61 1pd7 n GLY 47 N 4.62 2.55 3.91 5.54 0.00 -1.26 -5.13 105.19 115.42 1pd7 n GLY 47 Ca -0.11 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 2.99 0.29 1.61 1.70 -1.26 -5.07 118.95 119.21 1pd7 s ARG 48 Ca 0.00 -1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 53.88 1pd7 s ARG 48 Cb 0.00 -2.66 -0.11 0.00 -0.57 0.00 0.00 34.95 31.61 1pd7 s ARG 48 CO 0.00 0.19 1.52 -2.14 -1.08 0.00 0.00 175.30 173.79 1pd7 s PRO 49 N -4.02 4.17 0.10 3.89 0.02 -1.26 -4.93 135.00 132.97 1pd7 s PRO 49 Ca 0.40 2.48 -0.17 0.00 0.02 0.00 0.00 61.00 63.73 1pd7 s PRO 49 Cb -0.08 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 1pd7 s PRO 49 CO 0.28 -0.54 1.55 0.27 -0.33 0.00 0.00 177.00 178.24 1pd7 h PHE 50 N 4.58 0.55 -4.42 6.54 -5.15 -1.91 -3.49 116.94 113.64 1pd7 h PHE 50 Ca -0.47 -0.09 0.00 0.00 -0.20 0.00 0.00 57.97 57.21 1pd7 h PHE 50 Cb 1.22 -0.15 -0.04 0.00 0.22 0.00 0.00 35.95 37.20 1pd7 h PHE 50 CO 0.58 0.63 -0.87 0.54 -2.00 0.00 0.00 178.31 177.19 1pd7 n ARG 51 N -4.60 -2.74 -3.34 6.09 1.74 -1.26 -4.74 116.66 107.81 1pd7 n ARG 51 Ca -0.03 2.28 -0.27 0.00 -0.77 0.00 0.00 57.85 59.07 1pd7 n ARG 51 Cb 0.24 -3.92 -0.07 0.00 -1.02 0.00 0.00 32.46 27.68 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pd7 n GLY 52 N 0.78 4.90 7.00 -0.13 0.00 -1.26 -4.85 105.19 111.63 1pd7 n GLY 52 Ca -0.13 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.14 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 0.68 0.00 -4.07 1.61 0.00 -1.26 -4.41 117.12 109.67 1pd7 n MET 53 Ca 0.30 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.64 1pd7 n MET 53 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.56 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 -4.00 5.92 0.44 3.17 1.04 -1.26 -5.00 113.70 114.01 1pd7 s SER 54 Ca 0.00 0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.91 1pd7 s SER 54 Cb 0.00 -1.84 0.99 0.00 0.10 0.00 0.00 66.02 65.28 1pd7 s SER 54 CO 0.00 0.39 1.98 -0.33 0.98 0.00 0.00 173.24 176.26 1pd7 h GLU 55 N 5.11 0.00 -0.57 4.02 3.07 -2.00 -2.47 114.58 121.74 1pd7 h GLU 55 Ca -0.53 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.48 1pd7 h GLU 55 Cb 1.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 1pd7 h GLU 55 CO 0.57 0.19 0.40 1.49 -1.40 0.00 0.00 179.01 180.26 1pd7 h GLU 56 N 0.00 0.10 0.13 2.33 4.81 -1.94 -3.01 114.58 116.99 1pd7 h GLU 56 Ca -0.00 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.92 1pd7 h GLU 56 Cb 0.34 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1pd7 h GLU 56 CO 0.02 0.07 -1.50 1.05 -0.73 0.00 0.00 179.01 177.93 1pd7 h GLU 57 N 0.10 0.27 -0.24 1.92 4.11 -1.86 0.93 114.58 119.81 1pd7 h GLU 57 Ca 0.27 -0.46 -0.09 0.00 0.07 0.00 0.00 59.36 59.16 1pd7 h GLU 57 Cb 0.93 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1pd7 h GLU 57 CO -0.03 1.15 -0.22 -0.24 0.07 0.00 0.00 179.01 179.74 1pd7 h VAL 58 N 0.07 1.25 0.71 -1.06 3.04 -1.63 0.11 116.25 118.74 1pd7 h VAL 58 Ca -0.23 -1.17 -0.03 0.00 -1.01 0.00 0.00 66.70 64.25 1pd7 h VAL 58 Cb 2.02 1.31 0.01 0.00 -2.01 0.00 0.00 31.29 32.61 1pd7 h VAL 58 CO 0.17 0.37 -0.34 0.15 -1.01 0.00 0.00 177.57 176.91 1pd7 h PHE 59 N 0.40 -0.89 -0.81 3.17 3.04 -1.56 -2.98 116.94 117.31 1pd7 h PHE 59 Ca 0.06 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.12 1pd7 h PHE 59 Cb 0.60 0.29 -0.09 0.00 2.56 0.00 0.00 35.95 39.32 1pd7 h PHE 59 CO 0.02 -0.54 0.41 0.00 -2.02 0.00 0.00 178.31 176.18 1pd7 h THR 60 N -1.00 0.76 -0.06 4.41 1.03 0.21 -0.44 112.91 117.82 1pd7 h THR 60 Ca -0.10 -0.21 -0.03 0.00 -0.01 0.00 0.00 66.41 66.06 1pd7 h THR 60 Cb 0.74 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 1pd7 h THR 60 CO 0.16 0.11 -0.07 -0.33 -0.01 0.00 0.00 175.52 175.39 1pd7 h GLU 61 N 0.62 0.16 -0.93 0.00 4.39 -0.94 -3.08 114.58 114.79 1pd7 h GLU 61 Ca 0.43 -0.08 0.15 0.00 0.34 0.00 0.00 59.36 60.20 1pd7 h GLU 61 Cb 0.57 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.15 1pd7 h GLU 61 CO -0.34 0.61 0.59 0.28 -1.16 0.00 0.00 179.01 178.99 1pd7 h VAL 62 N -0.29 0.82 -0.43 3.13 2.07 -1.29 -2.42 116.25 117.84 1pd7 h VAL 62 Ca 0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1pd7 h VAL 62 Cb 0.58 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1pd7 h VAL 62 CO 0.02 0.13 0.08 0.00 0.02 0.00 0.00 177.57 177.82 1pd7 h ALA 63 N 1.59 1.34 0.00 1.67 0.00 -1.01 -1.97 119.26 120.89 1pd7 h ALA 63 Ca 0.48 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1pd7 h ALA 63 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1pd7 h ALA 63 CO -0.24 0.46 -0.59 -2.95 0.00 0.00 0.00 179.25 175.93 1pd7 h ASN 64 N 0.63 0.00 0.64 0.00 7.08 -1.36 -1.64 115.58 120.93 1pd7 h ASN 64 Ca 0.14 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.21 1pd7 h ASN 64 Cb 0.27 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.49 1pd7 h ASN 64 CO 0.00 0.59 -0.70 -0.07 -2.08 0.00 0.00 177.43 175.17 1pd7 h LEU 65 N 0.00 0.06 -2.80 6.14 4.07 -1.47 -3.32 115.31 117.99 1pd7 h LEU 65 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1pd7 h LEU 65 Cb 1.13 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1pd7 h LEU 65 CO 0.08 0.74 0.00 0.49 -1.08 0.00 0.00 178.44 178.67 1pd7 n PHE 66 N -3.73 0.96 -1.66 1.13 3.01 -0.79 -5.02 117.46 111.36 1pd7 n PHE 66 Ca -0.01 -0.51 -0.42 0.00 1.01 0.00 0.00 57.45 57.51 1pd7 n PHE 66 Cb 0.68 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.10 1pd7 n PHE 66 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1pd7 s ARG 67 N -1.07 3.91 0.00 -1.08 1.70 -0.66 -1.08 118.95 120.68 1pd7 s ARG 67 Ca 0.46 2.49 0.00 0.00 -0.47 0.00 0.00 55.73 58.21 1pd7 s ARG 67 Cb 0.24 -4.21 0.00 0.00 -0.57 0.00 0.00 34.95 30.41 1pd7 s ARG 67 CO 0.31 -1.22 0.00 0.41 -1.08 0.00 0.00 175.30 173.72 1pd7 n GLY 68 N 4.82 2.70 2.88 3.88 0.00 -1.26 -5.01 105.19 113.20 1pd7 n GLY 68 Ca 0.22 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 3.16 0.18 1.61 3.00 -0.24 -4.77 117.38 120.32 1pd7 n GLN 69 Ca 0.00 -3.02 0.04 0.00 -0.01 0.00 0.00 57.00 54.01 1pd7 n GLN 69 Cb 0.00 -3.18 0.45 0.00 0.00 0.00 0.00 30.24 27.51 1pd7 n GLN 69 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1pd7 h GLU 70 N 6.10 0.10 0.00 -1.09 4.11 -1.95 -2.92 114.58 118.92 1pd7 h GLU 70 Ca 0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.90 1pd7 h GLU 70 Cb 0.67 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1pd7 h GLU 70 CO 1.74 0.27 0.00 0.38 0.07 0.00 0.00 179.01 181.47 1pd7 h ASP 71 N 0.09 0.00 0.02 3.06 2.03 -1.98 -2.10 116.42 117.55 1pd7 h ASP 71 Ca 0.02 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1pd7 h ASP 71 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1pd7 h ASP 71 CO 0.02 0.00 -0.01 -0.07 -1.03 0.00 0.00 179.24 178.15 1pd7 h LEU 72 N 0.00 -0.02 -1.89 0.15 3.38 -1.93 -3.34 115.31 111.66 1pd7 h LEU 72 Ca 0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1pd7 h LEU 72 Cb 0.43 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pd7 h LEU 72 CO 0.00 0.77 -0.11 -0.07 0.09 0.00 0.00 178.44 179.12 1pd7 h LEU 73 N -0.88 0.00 -0.40 1.67 -0.00 -1.57 -1.51 115.31 112.62 1pd7 h LEU 73 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 1pd7 h LEU 73 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 1pd7 h LEU 73 CO 0.00 0.11 -0.29 0.77 -0.00 0.00 0.00 178.44 179.04 1pd7 h SER 74 N 0.00 0.94 1.60 -0.43 4.64 -1.55 -2.88 113.55 115.87 1pd7 h SER 74 Ca -0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1pd7 h SER 74 Cb 0.36 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1pd7 h SER 74 CO 0.01 1.18 0.00 -0.33 -0.87 0.00 0.00 176.83 176.82 1pd7 h GLU 75 N 0.71 0.00 0.00 4.77 5.08 -1.53 -2.82 114.58 120.78 1pd7 h GLU 75 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1pd7 h GLU 75 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1pd7 h GLU 75 CO 0.08 0.00 -0.09 0.35 -1.00 0.00 0.00 179.01 178.34 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.08 -2.44 116.94 121.32 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 0.80 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1pd7 h PHE 76 CO 0.00 0.09 0.34 0.78 -2.23 0.00 0.00 178.31 177.30 1pd7 h GLY 77 N 0.57 0.00 -0.10 2.40 0.00 -1.39 -2.91 103.07 101.64 1pd7 h GLY 77 Ca -0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 1pd7 h GLY 77 CO 0.01 0.00 0.66 0.06 0.00 0.00 0.00 176.54 177.28 1pd7 h GLN 78 N 0.00 0.39 0.00 4.80 3.07 -1.64 -2.79 115.11 118.94 1pd7 h GLN 78 Ca 0.00 -0.02 -0.40 0.00 0.09 0.00 0.00 58.65 58.31 1pd7 h GLN 78 Cb 0.69 -0.09 -0.06 0.00 0.08 0.00 0.00 27.48 28.10 1pd7 h GLN 78 CO 0.00 0.26 -2.22 0.34 0.09 0.00 0.00 178.83 177.30 1pd7 n PHE 79 N -4.61 0.29 -2.61 0.06 7.35 -1.10 -5.05 117.46 111.78 1pd7 n PHE 79 Ca 0.25 0.12 -0.42 0.00 -0.76 0.00 0.00 57.45 56.64 1pd7 n PHE 79 Cb 0.86 -1.03 -0.03 0.00 0.35 0.00 0.00 39.48 39.63 1pd7 n PHE 79 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1pd7 s LEU 80 N -7.52 4.38 -0.21 -2.13 1.43 -1.05 -5.00 118.68 108.57 1pd7 s LEU 80 Ca -0.36 1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 1pd7 s LEU 80 Cb 0.12 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1pd7 s LEU 80 CO 0.53 -0.32 1.49 -2.84 0.23 0.00 0.00 176.35 175.44 1pd7 s PRO 81 N 0.97 3.93 -0.05 1.29 0.02 -1.26 -4.66 135.00 135.24 1pd7 s PRO 81 Ca 0.54 1.62 -0.10 0.00 0.02 0.00 0.00 61.00 63.08 1pd7 s PRO 81 Cb -0.24 -3.95 -0.06 0.00 0.02 0.00 0.00 34.50 30.27 1pd7 s PRO 81 CO 0.29 -1.12 0.44 0.93 -0.33 0.00 0.00 177.00 177.20 1pd7 h GLU 82 N 9.89 -0.35 0.00 5.54 5.08 -1.94 -3.45 114.58 129.34 1pd7 h GLU 82 Ca -0.31 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1pd7 h GLU 82 Cb 1.14 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pd7 h GLU 82 CO 1.00 -0.23 -0.73 0.00 -1.00 0.00 0.00 179.01 178.05 1pd7 n ALA 83 N -2.69 2.03 -2.35 3.43 0.00 -1.26 -5.08 120.51 114.59 1pd7 n ALA 83 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1pd7 n ALA 83 Cb 0.14 0.36 0.03 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.25 -1.03 0.00 0.00 3.00 -1.26 -5.32 118.16 111.30 1pd7 n LYS 84 Ca 0.00 0.55 0.05 0.00 -0.00 0.00 0.00 58.31 58.90 1pd7 n LYS 84 Cb 0.36 -3.65 0.04 0.00 0.00 0.00 0.00 35.03 31.78 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94