#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 -0.02 0.00 4.31 1.04 -1.26 -5.05 113.70 112.73 1pd7 s SER 2 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1pd7 s SER 2 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1pd7 s SER 2 CO 0.00 -0.20 0.00 0.47 0.98 0.00 0.00 173.24 174.49 1pd7 n ASP 3 N 4.76 2.05 -1.19 7.02 8.00 -1.26 -4.84 116.55 131.09 1pd7 n ASP 3 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1pd7 n ASP 3 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.40 3.12 -0.11 -2.24 7.64 -1.26 -4.51 113.62 113.86 1pd7 n SER 4 Ca 0.00 -1.83 -0.07 0.00 1.01 0.00 0.00 58.87 57.99 1pd7 n SER 4 Cb 0.36 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.49 0.30 0.00 0.44 2.07 -2.00 -1.78 116.25 115.76 1pd7 h VAL 5 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1pd7 h VAL 5 Cb 0.83 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1pd7 h VAL 5 CO 0.00 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.26 1pd7 h GLU 6 N -0.22 0.00 -0.48 1.57 5.08 -1.99 -0.64 114.58 117.91 1pd7 h GLU 6 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1pd7 h GLU 6 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1pd7 h GLU 6 CO -0.51 0.00 0.26 0.35 -1.00 0.00 0.00 179.01 178.11 1pd7 h PHE 7 N 0.00 0.65 0.00 4.33 3.04 -1.68 -2.63 116.94 120.65 1pd7 h PHE 7 Ca 0.00 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.87 1pd7 h PHE 7 Cb 0.56 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1pd7 h PHE 7 CO 0.00 0.49 -0.33 -0.91 -2.02 0.00 0.00 178.31 175.54 1pd7 h ASN 8 N 0.63 0.00 0.18 0.41 -0.26 -0.93 -1.53 115.58 114.08 1pd7 h ASN 8 Ca 0.17 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.78 1pd7 h ASN 8 Cb 0.05 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1pd7 h ASN 8 CO -0.03 0.33 -0.48 0.78 -1.06 0.00 0.00 177.43 176.97 1pd7 h ASN 9 N 0.00 0.38 -0.25 5.81 -0.26 -1.19 -0.55 115.58 119.52 1pd7 h ASN 9 Ca -0.00 -0.18 -0.06 0.00 -0.56 0.00 0.00 56.30 55.50 1pd7 h ASN 9 Cb 0.83 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1pd7 h ASN 9 CO 0.04 0.80 -0.06 0.00 -1.06 0.00 0.00 177.43 177.15 1pd7 h ALA 10 N 1.21 0.34 -0.44 -0.83 0.00 -1.01 -3.07 119.26 115.46 1pd7 h ALA 10 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.74 1pd7 h ALA 10 Cb 0.95 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1pd7 h ALA 10 CO 0.08 0.14 0.02 0.82 0.00 0.00 0.00 179.25 180.31 1pd7 h ILE 11 N 0.22 0.68 -0.37 0.00 1.08 -1.03 -1.77 117.51 116.32 1pd7 h ILE 11 Ca 0.06 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.56 1pd7 h ILE 11 Cb 0.53 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1pd7 h ILE 11 CO 0.03 0.02 0.25 -1.28 -0.69 0.00 0.00 178.15 176.48 1pd7 h SER 12 N 0.13 0.15 0.35 1.72 0.87 -1.13 0.72 113.55 116.36 1pd7 h SER 12 Ca 0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1pd7 h SER 12 Cb 0.31 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1pd7 h SER 12 CO -0.35 0.10 -0.17 0.22 -0.53 0.00 0.00 176.83 176.10 1pd7 h TYR 13 N 0.17 -0.43 -0.97 2.24 3.20 -1.24 -3.06 116.97 116.88 1pd7 h TYR 13 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1pd7 h TYR 13 Cb 0.45 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1pd7 h TYR 13 CO -0.00 -0.12 0.62 0.28 -1.64 0.00 0.00 178.16 177.30 1pd7 h VAL 14 N -0.99 1.26 -0.87 1.81 2.07 -0.95 -1.54 116.25 117.04 1pd7 h VAL 14 Ca -0.05 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1pd7 h VAL 14 Cb 0.51 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1pd7 h VAL 14 CO 0.08 0.26 0.53 -1.13 0.02 0.00 0.00 177.57 177.33 1pd7 h ASN 15 N 1.32 0.81 -0.42 0.57 -1.24 -1.00 0.11 115.58 115.74 1pd7 h ASN 15 Ca 0.35 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.32 1pd7 h ASN 15 Cb -0.11 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 1pd7 h ASN 15 CO -0.07 0.50 0.01 0.50 -1.29 0.00 0.00 177.43 177.08 1pd7 h LYS 16 N 0.94 0.81 -0.01 6.67 3.64 -1.19 -0.05 116.57 127.38 1pd7 h LYS 16 Ca 0.39 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pd7 h LYS 16 Cb 0.24 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1pd7 h LYS 16 CO -0.20 0.81 0.00 0.82 -2.27 0.00 0.00 179.45 178.61 1pd7 h ILE 17 N 0.76 1.21 -0.77 2.00 2.04 -1.06 -1.07 117.51 120.62 1pd7 h ILE 17 Ca 0.15 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1pd7 h ILE 17 Cb 0.45 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1pd7 h ILE 17 CO 0.02 0.16 0.48 0.07 0.00 0.00 0.00 178.15 178.88 1pd7 h LYS 18 N -0.26 1.03 -0.13 2.37 2.10 -0.63 -1.09 116.57 119.96 1pd7 h LYS 18 Ca 0.00 -0.08 -0.21 0.00 -2.00 0.00 0.00 60.65 58.36 1pd7 h LYS 18 Cb 0.27 -0.22 0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1pd7 h LYS 18 CO 0.00 0.71 -0.73 1.15 -2.00 0.00 0.00 179.45 178.58 1pd7 h THR 19 N 1.05 1.30 -0.15 0.07 2.02 -0.95 -3.30 112.91 112.95 1pd7 h THR 19 Ca 0.28 -1.95 -0.21 0.00 0.77 0.00 0.00 66.41 65.29 1pd7 h THR 19 Cb -0.07 2.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1pd7 h THR 19 CO -0.06 0.61 -0.74 0.03 0.37 0.00 0.00 175.52 175.73 1pd7 h ARG 20 N 0.43 0.77 -1.95 6.66 3.08 -1.05 -3.33 114.38 118.98 1pd7 h ARG 20 Ca -0.05 -0.63 -0.28 0.00 0.07 0.00 0.00 59.98 59.09 1pd7 h ARG 20 Cb 1.36 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.44 1pd7 h ARG 20 CO 0.15 1.24 -0.02 1.19 -1.07 0.00 0.00 179.97 181.46 1pd7 n PHE 21 N -3.98 0.66 0.11 3.04 3.72 -0.43 -4.00 117.46 116.59 1pd7 n PHE 21 Ca -0.08 -1.63 -0.17 0.00 -0.05 0.00 0.00 57.45 55.52 1pd7 n PHE 21 Cb 0.73 -1.34 -0.14 0.00 -0.94 0.00 0.00 39.48 37.78 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 4.19 0.50 -0.15 4.37 3.38 -1.68 -3.11 115.31 122.80 1pd7 h LEU 22 Ca 0.24 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pd7 h LEU 22 Cb 1.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1pd7 h LEU 22 CO 0.46 1.42 0.00 0.47 0.09 0.00 0.00 178.44 180.88 1pd7 n ASP 23 N -3.56 0.28 -3.26 -0.43 9.92 -1.26 -3.99 116.55 114.26 1pd7 n ASP 23 Ca -0.10 0.55 -0.25 0.00 -0.53 0.00 0.00 54.79 54.46 1pd7 n ASP 23 Cb 1.04 -0.62 -0.07 0.00 -0.64 0.00 0.00 41.12 40.83 1pd7 n ASP 23 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1pd7 n HIS 24 N -1.79 0.56 0.78 1.24 8.25 -1.21 -4.96 115.22 118.09 1pd7 n HIS 24 Ca 0.05 -3.69 0.10 0.00 -0.26 0.00 0.00 57.72 53.91 1pd7 n HIS 24 Cb 0.27 -0.37 0.46 0.00 1.12 0.00 0.00 29.99 31.48 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 1.37 0.09 0.25 -0.41 -0.04 -1.18 -1.91 135.00 133.17 1pd7 n PRO 25 Ca 0.23 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1pd7 n PRO 25 Cb 0.50 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.51 0.54 4.11 -1.93 -2.82 114.58 113.98 1pd7 h GLU 26 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1pd7 h GLU 26 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1pd7 h GLU 26 CO 0.00 0.15 0.05 0.82 0.07 0.00 0.00 179.01 180.10 1pd7 h ILE 27 N 0.00 1.26 0.00 -1.06 1.08 -1.72 -1.89 117.51 115.17 1pd7 h ILE 27 Ca -0.00 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1pd7 h ILE 27 Cb 0.52 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1pd7 h ILE 27 CO 0.02 0.35 0.00 0.22 -0.69 0.00 0.00 178.15 178.05 1pd7 h TYR 28 N 0.73 0.00 0.02 1.37 3.20 -1.67 0.98 116.97 121.60 1pd7 h TYR 28 Ca 0.15 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pd7 h TYR 28 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1pd7 h TYR 28 CO 0.03 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 176.54 1pd7 h ARG 29 N 0.00 -0.03 0.00 1.82 2.47 -1.46 -3.42 114.38 113.77 1pd7 h ARG 29 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 1pd7 h ARG 29 Cb 0.22 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1pd7 h ARG 29 CO 0.00 -0.02 -0.44 0.66 0.56 0.00 0.00 179.97 180.73 1pd7 h SER 30 N -0.90 0.00 -0.17 7.04 4.64 -0.90 -3.18 113.55 120.07 1pd7 h SER 30 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1pd7 h SER 30 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 1pd7 h SER 30 CO 0.00 0.44 -0.18 0.15 -0.87 0.00 0.00 176.83 176.38 1pd7 h PHE 31 N 0.00 -0.47 -0.02 4.77 3.57 -1.07 -3.01 116.94 120.71 1pd7 h PHE 31 Ca -0.00 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1pd7 h PHE 31 Cb 1.31 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1pd7 h PHE 31 CO 0.00 -0.26 -0.85 -0.07 -2.23 0.00 0.00 178.31 174.90 1pd7 h LEU 32 N -0.21 0.40 -1.10 0.59 3.38 -1.78 -3.02 115.31 113.56 1pd7 h LEU 32 Ca 0.11 -0.30 0.20 0.00 0.09 0.00 0.00 57.88 57.98 1pd7 h LEU 32 Cb 0.38 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 1pd7 h LEU 32 CO -0.30 1.08 0.62 -0.33 0.09 0.00 0.00 178.44 179.60 1pd7 h GLU 33 N 0.19 0.66 0.06 1.13 4.39 -1.52 0.40 114.58 119.87 1pd7 h GLU 33 Ca -0.05 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1pd7 h GLU 33 Cb 1.46 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1pd7 h GLU 33 CO 0.14 0.43 -0.03 0.82 -1.16 0.00 0.00 179.01 179.22 1pd7 h ILE 34 N 0.68 1.11 0.00 3.13 2.04 -1.41 -2.86 117.51 120.19 1pd7 h ILE 34 Ca 0.57 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1pd7 h ILE 34 Cb 1.01 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1pd7 h ILE 34 CO -0.36 0.14 -0.07 -0.07 0.00 0.00 0.00 178.15 177.79 1pd7 h LEU 35 N -0.32 0.00 -1.01 1.44 3.38 -1.22 -2.13 115.31 115.46 1pd7 h LEU 35 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1pd7 h LEU 35 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1pd7 h LEU 35 CO 0.01 0.07 -0.48 0.45 0.09 0.00 0.00 178.44 178.58 1pd7 h HIS 36 N 0.00 0.04 -0.67 1.13 3.86 -0.17 0.76 115.15 120.09 1pd7 h HIS 36 Ca -0.00 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1pd7 h HIS 36 Cb 0.42 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 1pd7 h HIS 36 CO 0.00 0.51 0.45 1.15 0.86 0.00 0.00 177.93 180.89 1pd7 h THR 37 N 0.03 1.13 0.12 2.45 2.02 -1.15 -1.79 112.91 115.70 1pd7 h THR 37 Ca -0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1pd7 h THR 37 Cb 0.87 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1pd7 h THR 37 CO 0.06 0.16 -0.06 0.22 0.37 0.00 0.00 175.52 176.27 1pd7 h TYR 38 N 0.85 -0.14 0.00 3.16 3.20 -1.39 -3.37 116.97 119.28 1pd7 h TYR 38 Ca 0.26 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1pd7 h TYR 38 Cb -0.00 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1pd7 h TYR 38 CO -0.00 0.35 0.00 0.37 -1.64 0.00 0.00 178.16 177.24 1pd7 h GLN 39 N -0.84 0.00 -1.33 1.82 -0.00 -0.78 -3.31 115.11 110.67 1pd7 h GLN 39 Ca -0.02 0.00 0.39 0.00 -0.00 0.00 0.00 58.65 59.02 1pd7 h GLN 39 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.98 1pd7 h GLN 39 CO 0.03 0.00 0.96 -0.22 0.00 0.00 0.00 178.83 179.60 1pd7 h LYS 40 N 0.00 0.00 -0.80 1.69 3.64 -1.48 -0.44 116.57 119.18 1pd7 h LYS 40 Ca 0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 1pd7 h LYS 40 Cb 0.37 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.05 1pd7 h LYS 40 CO 0.00 0.00 0.02 0.93 -2.27 0.00 0.00 179.45 178.13 1pd7 h GLU 41 N 0.00 0.10 -0.57 1.90 4.39 -1.86 -3.46 114.58 115.08 1pd7 h GLU 41 Ca 0.63 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 60.08 1pd7 h GLU 41 Cb 2.55 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 31.08 1pd7 h GLU 41 CO -0.01 0.07 -0.22 0.94 -1.16 0.00 0.00 179.01 178.63 1pd7 n GLN 42 N -5.36 -1.03 -2.66 2.33 -0.06 -0.18 -1.72 117.38 108.71 1pd7 n GLN 42 Ca 0.15 0.90 -0.11 0.00 -2.00 0.00 0.00 57.00 55.94 1pd7 n GLN 42 Cb 0.52 -4.98 0.02 0.00 -4.06 0.00 0.00 30.24 21.74 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1pd7 n LEU 43 N -1.36 -2.13 0.06 1.69 4.77 -1.26 -4.96 117.00 113.80 1pd7 n LEU 43 Ca -0.12 -0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 1pd7 n LEU 43 Cb 0.44 -1.67 0.21 0.00 -2.33 0.00 0.00 43.42 40.07 1pd7 n LEU 43 CO 0.18 0.13 0.66 -0.74 -1.33 0.00 0.00 177.39 176.30 1pd7 h HIS 44 N -0.72 0.40 -4.32 -1.77 2.76 -1.71 -3.44 115.15 106.34 1pd7 h HIS 44 Ca -0.25 -0.10 -0.26 0.00 -2.20 0.00 0.00 60.37 57.55 1pd7 h HIS 44 Cb 1.17 -0.09 -0.15 0.00 1.55 0.00 0.00 27.41 29.89 1pd7 h HIS 44 CO 0.25 0.67 -0.62 -0.08 -1.30 0.00 0.00 177.93 176.84 1pd7 s THR 45 N -4.25 0.19 -0.12 6.26 -1.32 -1.26 -5.15 115.64 109.97 1pd7 s THR 45 Ca -0.05 -1.99 0.01 0.00 -1.21 0.00 0.00 61.69 58.45 1pd7 s THR 45 Cb 0.13 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.64 1pd7 s THR 45 CO 0.78 -0.07 -0.17 -0.75 -2.21 0.00 0.00 174.62 172.21 1pd7 s LYS 46 N -4.11 3.26 0.00 7.08 2.47 -1.26 -4.92 119.74 122.26 1pd7 s LYS 46 Ca 0.37 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 1pd7 s LYS 46 Cb 0.07 -2.53 0.00 0.00 -1.46 0.00 0.00 37.83 33.92 1pd7 s LYS 46 CO 0.11 0.18 0.00 0.41 0.16 0.00 0.00 175.35 176.21 1pd7 n GLY 47 N 3.58 0.31 3.54 5.54 0.00 -1.26 -5.11 105.19 111.78 1pd7 n GLY 47 Ca -0.18 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 1.95 -0.27 1.61 1.70 -1.26 -5.10 118.95 117.57 1pd7 s ARG 48 Ca 0.00 -1.46 -0.29 0.00 -0.47 0.00 0.00 55.73 53.51 1pd7 s ARG 48 Cb 0.00 -2.02 0.00 0.00 -0.57 0.00 0.00 34.95 32.36 1pd7 s ARG 48 CO 0.00 0.39 1.26 -1.25 -1.08 0.00 0.00 175.30 174.61 1pd7 s PRO 49 N -3.18 4.01 0.00 3.89 0.04 -1.26 -4.91 135.00 133.58 1pd7 s PRO 49 Ca 0.27 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1pd7 s PRO 49 Cb -0.07 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1pd7 s PRO 49 CO 0.15 -1.00 0.00 0.34 0.04 0.00 0.00 177.00 176.54 1pd7 n PHE 50 N 7.29 0.00 0.09 0.56 7.35 -1.26 -4.65 117.46 126.84 1pd7 n PHE 50 Ca 0.14 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.79 1pd7 n PHE 50 Cb 0.46 -0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.27 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 -1.98 -4.13 3.08 -1.93 -3.32 114.38 106.09 1pd7 h ARG 51 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1pd7 h ARG 51 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1pd7 h ARG 51 CO 0.00 0.85 -0.21 0.41 -1.07 0.00 0.00 179.97 179.95 1pd7 n GLY 52 N 1.05 2.99 0.23 0.04 0.00 -1.26 -4.81 105.19 103.44 1pd7 n GLY 52 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 2.06 0.00 -3.70 1.61 0.00 -1.25 -4.44 117.12 111.39 1pd7 n MET 53 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.65 1pd7 n MET 53 Cb 0.77 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.93 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 -0.13 6.48 0.54 3.17 1.04 -1.26 -4.82 113.70 118.71 1pd7 s SER 54 Ca 0.00 0.58 0.27 0.00 0.48 0.00 0.00 55.95 57.28 1pd7 s SER 54 Cb 0.00 -2.14 1.53 0.00 0.10 0.00 0.00 66.02 65.51 1pd7 s SER 54 CO 0.00 0.31 2.12 1.05 0.98 0.00 0.00 173.24 177.70 1pd7 h GLU 55 N 5.41 0.00 -0.04 4.02 4.11 -2.02 -2.31 114.58 123.76 1pd7 h GLU 55 Ca -0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 1pd7 h GLU 55 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1pd7 h GLU 55 CO 0.64 0.09 -0.13 0.93 0.07 0.00 0.00 179.01 180.61 1pd7 h GLU 56 N 0.00 0.06 0.19 1.06 5.08 -1.97 -2.24 114.58 116.76 1pd7 h GLU 56 Ca -0.00 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1pd7 h GLU 56 Cb 0.23 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pd7 h GLU 56 CO 0.01 0.19 -1.63 1.05 -1.00 0.00 0.00 179.01 177.64 1pd7 h GLU 57 N 0.06 0.39 -0.75 2.33 4.11 -1.83 -0.00 114.58 118.88 1pd7 h GLU 57 Ca 0.01 -0.67 -0.06 0.00 0.07 0.00 0.00 59.36 58.71 1pd7 h GLU 57 Cb 0.27 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1pd7 h GLU 57 CO 0.02 1.30 0.24 -0.24 0.07 0.00 0.00 179.01 180.40 1pd7 h VAL 58 N 0.11 1.26 0.25 -1.06 3.04 -1.55 0.26 116.25 118.56 1pd7 h VAL 58 Ca -0.30 -0.91 0.01 0.00 -1.01 0.00 0.00 66.70 64.49 1pd7 h VAL 58 Cb 2.10 0.43 -0.04 0.00 -2.01 0.00 0.00 31.29 31.77 1pd7 h VAL 58 CO 0.20 0.36 -0.42 0.15 -1.01 0.00 0.00 177.57 176.85 1pd7 h PHE 59 N 1.12 -1.16 -1.00 3.17 3.57 -1.48 -2.32 116.94 118.86 1pd7 h PHE 59 Ca 0.24 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.93 1pd7 h PHE 59 Cb 0.30 0.47 -0.10 0.00 2.79 0.00 0.00 35.95 39.42 1pd7 h PHE 59 CO 0.03 -0.54 0.62 0.00 -2.23 0.00 0.00 178.31 176.18 1pd7 h THR 60 N -0.74 0.79 0.35 4.41 1.03 0.24 -2.36 112.91 116.64 1pd7 h THR 60 Ca -0.01 -0.29 -0.02 0.00 -0.01 0.00 0.00 66.41 66.09 1pd7 h THR 60 Cb 0.71 -0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.68 1pd7 h THR 60 CO -0.16 0.15 -0.17 -0.33 -0.01 0.00 0.00 175.52 175.00 1pd7 h GLU 61 N 0.83 -0.45 -0.99 0.00 4.39 -0.54 -3.25 114.58 114.57 1pd7 h GLU 61 Ca 0.54 0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.54 1pd7 h GLU 61 Cb 0.75 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 1pd7 h GLU 61 CO -0.32 -0.12 0.69 0.28 -1.16 0.00 0.00 179.01 178.37 1pd7 h VAL 62 N -0.91 0.54 -0.94 3.13 2.07 -1.13 0.70 116.25 119.71 1pd7 h VAL 62 Ca -0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1pd7 h VAL 62 Cb 0.53 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1pd7 h VAL 62 CO 0.08 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.24 1pd7 h ALA 63 N 1.54 1.20 0.00 1.67 0.00 -1.47 -3.01 119.26 119.20 1pd7 h ALA 63 Ca 0.50 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1pd7 h ALA 63 Cb 1.70 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1pd7 h ALA 63 CO -0.09 0.67 -0.59 -2.95 0.00 0.00 0.00 179.25 176.29 1pd7 h ASN 64 N 1.30 0.00 -0.55 0.00 7.08 -0.92 -0.57 115.58 121.91 1pd7 h ASN 64 Ca 0.33 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.59 1pd7 h ASN 64 Cb -0.03 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.17 1pd7 h ASN 64 CO -0.06 0.59 0.31 -0.07 -2.08 0.00 0.00 177.43 176.12 1pd7 h LEU 65 N 0.00 0.47 0.02 6.14 -0.00 -1.52 -3.35 115.31 117.07 1pd7 h LEU 65 Ca -0.01 0.02 -0.38 0.00 -0.00 0.00 0.00 57.88 57.51 1pd7 h LEU 65 Cb 1.18 -0.08 -0.06 0.00 -0.00 0.00 0.00 40.66 41.70 1pd7 h LEU 65 CO 0.08 0.33 -2.37 0.49 -0.00 0.00 0.00 178.44 176.96 1pd7 n PHE 66 N -4.82 0.21 -1.09 1.13 3.72 -1.11 -5.01 117.46 110.50 1pd7 n PHE 66 Ca 0.05 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1pd7 n PHE 66 Cb 0.11 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 1pd7 n PHE 66 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1pd7 n ARG 67 N -3.19 -0.24 0.00 -1.08 1.85 -0.24 -3.80 116.66 109.96 1pd7 n ARG 67 Ca -0.41 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1pd7 n ARG 67 Cb 1.03 -0.26 0.00 0.00 -1.05 0.00 0.00 32.46 32.18 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 1.12 1.01 3.43 2.89 0.00 -1.26 -5.05 105.19 107.34 1pd7 n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.01 3.15 0.24 1.61 -0.21 -1.25 -4.87 119.66 118.31 1pd7 s GLN 69 Ca 0.00 -1.08 0.15 0.00 0.02 0.00 0.00 55.36 54.45 1pd7 s GLN 69 Cb 0.00 -4.32 0.01 0.00 1.00 0.00 0.00 33.01 29.71 1pd7 s GLN 69 CO 0.00 -1.74 1.35 0.93 -2.12 0.00 0.00 175.29 173.71 1pd7 h GLU 70 N 9.37 0.00 -0.18 2.91 5.08 -1.96 -3.36 114.58 126.44 1pd7 h GLU 70 Ca -0.24 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 1pd7 h GLU 70 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1pd7 h GLU 70 CO 1.15 0.51 -0.53 0.38 -1.00 0.00 0.00 179.01 179.52 1pd7 h ASP 71 N 0.00 0.56 -0.66 1.42 2.03 -1.99 -2.02 116.42 115.76 1pd7 h ASP 71 Ca -0.03 -0.29 -0.05 0.00 -0.73 0.00 0.00 57.03 55.93 1pd7 h ASP 71 Cb 1.44 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.76 1pd7 h ASP 71 CO 0.07 0.99 0.21 -0.07 -1.03 0.00 0.00 179.24 179.40 1pd7 h LEU 72 N 0.40 0.96 -0.87 0.15 3.38 -2.00 -2.54 115.31 114.78 1pd7 h LEU 72 Ca 0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1pd7 h LEU 72 Cb 1.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1pd7 h LEU 72 CO 0.10 0.91 -0.20 -0.07 0.09 0.00 0.00 178.44 179.26 1pd7 h LEU 73 N 0.96 0.00 -0.28 1.67 -0.00 -1.69 -0.36 115.31 115.61 1pd7 h LEU 73 Ca 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.03 1pd7 h LEU 73 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1pd7 h LEU 73 CO -0.01 0.20 -0.06 0.28 -0.00 0.00 0.00 178.44 178.86 1pd7 h SER 74 N 0.00 0.55 1.61 -0.43 0.02 -1.21 -2.99 113.55 111.09 1pd7 h SER 74 Ca -0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1pd7 h SER 74 Cb 0.84 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1pd7 h SER 74 CO 0.03 0.78 0.00 -0.33 -1.14 0.00 0.00 176.83 176.17 1pd7 h GLU 75 N 0.31 0.00 0.00 3.45 5.08 -1.26 -2.83 114.58 119.32 1pd7 h GLU 75 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1pd7 h GLU 75 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pd7 h GLU 75 CO 0.03 0.00 -0.00 0.35 -1.00 0.00 0.00 179.01 178.39 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -0.92 -2.56 116.94 121.36 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 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 176.86 1pd7 h GLY 77 N 0.78 0.00 -0.78 2.40 0.00 -1.42 -3.36 103.07 100.69 1pd7 h GLY 77 Ca -0.00 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.60 1pd7 h GLY 77 CO 0.00 0.00 0.16 0.06 0.00 0.00 0.00 176.54 176.76 1pd7 h GLN 78 N 0.00 0.07 0.00 4.80 3.07 -1.65 -2.41 115.11 118.99 1pd7 h GLN 78 Ca 0.00 -0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.42 1pd7 h GLN 78 Cb 0.26 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 27.75 1pd7 h GLN 78 CO 0.00 0.05 -1.90 0.34 0.09 0.00 0.00 178.83 177.41 1pd7 n PHE 79 N -5.37 0.29 0.00 0.06 7.35 -1.26 -5.00 117.46 113.53 1pd7 n PHE 79 Ca 0.24 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1pd7 n PHE 79 Cb 0.79 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.69 1pd7 n PHE 79 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1pd7 n LEU 80 N -4.35 0.00 -4.56 -2.13 4.77 -0.91 -4.16 117.00 105.67 1pd7 n LEU 80 Ca -0.40 0.39 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 1pd7 n LEU 80 Cb 0.75 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 1pd7 n LEU 80 CO 0.10 0.00 1.44 -2.16 -1.33 0.00 0.00 177.39 175.43 1pd7 s PRO 81 N -0.79 2.93 -0.01 3.23 0.04 -1.26 -4.85 135.00 134.29 1pd7 s PRO 81 Ca 0.00 0.44 -0.23 0.00 0.04 0.00 0.00 61.00 61.25 1pd7 s PRO 81 Cb 0.00 -4.28 -0.14 0.00 0.04 0.00 0.00 34.50 30.12 1pd7 s PRO 81 CO 0.00 -2.39 1.01 0.93 0.04 0.00 0.00 177.00 176.59 1pd7 h GLU 82 N 12.98 -0.52 -0.75 4.56 5.08 -1.95 -3.43 114.58 130.54 1pd7 h GLU 82 Ca -0.27 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1pd7 h GLU 82 Cb 1.12 0.12 -0.19 0.00 0.50 0.00 0.00 28.75 30.31 1pd7 h GLU 82 CO 1.21 -0.22 -0.33 0.00 -1.00 0.00 0.00 179.01 178.68 1pd7 s ALA 83 N -4.48 -3.03 -0.18 3.43 0.00 -1.26 -5.10 121.76 111.13 1pd7 s ALA 83 Ca -0.13 0.65 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 1pd7 s ALA 83 Cb 0.01 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 1pd7 s ALA 83 CO 0.44 -2.25 -0.34 1.17 0.00 0.00 0.00 175.76 174.78 1pd7 n LYS 84 N 4.35 0.52 0.00 0.00 3.00 -1.26 -5.30 118.16 119.47 1pd7 n LYS 84 Ca 0.09 0.21 0.09 0.00 -0.00 0.00 0.00 58.31 58.70 1pd7 n LYS 84 Cb 0.58 -1.41 0.08 0.00 0.00 0.00 0.00 35.03 34.29 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94