#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 0.03 0.00 4.31 0.01 -1.26 -5.14 113.70 111.65 1pd7 s SER 2 Ca 0.00 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1pd7 s SER 2 Cb 0.00 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1pd7 s SER 2 CO 0.00 -0.94 0.00 0.47 0.41 0.00 0.00 173.24 173.18 1pd7 n ASP 3 N -0.26 0.00 -4.56 2.44 8.00 -1.26 -4.86 116.55 116.05 1pd7 n ASP 3 Ca -0.04 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.06 1pd7 n ASP 3 Cb 0.63 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 1pd7 n ASP 3 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1pd7 s SER 4 N -1.00 6.41 -0.11 -2.24 0.01 -1.26 -4.77 113.70 110.74 1pd7 s SER 4 Ca 0.00 -1.42 -0.26 0.00 1.31 0.00 0.00 55.95 55.57 1pd7 s SER 4 Cb 0.00 -2.57 -0.27 0.00 0.21 0.00 0.00 66.02 63.39 1pd7 s SER 4 CO 0.00 -1.59 0.78 0.58 0.41 0.00 0.00 173.24 173.42 1pd7 h VAL 5 N 6.80 1.67 0.00 3.43 2.07 -2.00 -3.22 116.25 125.00 1pd7 h VAL 5 Ca 0.20 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1pd7 h VAL 5 Cb 1.01 3.28 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1pd7 h VAL 5 CO 1.42 0.63 0.00 -0.33 0.02 0.00 0.00 177.57 179.31 1pd7 h GLU 6 N -0.80 0.00 -0.40 1.57 5.08 -1.99 -0.62 114.58 117.43 1pd7 h GLU 6 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1pd7 h GLU 6 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1pd7 h GLU 6 CO 0.04 0.00 0.19 0.35 -1.00 0.00 0.00 179.01 178.59 1pd7 h PHE 7 N 0.00 0.57 0.00 4.33 3.57 -1.95 -2.26 116.94 121.21 1pd7 h PHE 7 Ca 0.00 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 1pd7 h PHE 7 Cb 0.46 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1pd7 h PHE 7 CO 0.00 0.48 -0.57 -0.91 -2.23 0.00 0.00 178.31 175.08 1pd7 h ASN 8 N 0.50 0.00 0.28 0.41 4.21 -1.18 -1.26 115.58 118.55 1pd7 h ASN 8 Ca 0.14 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.54 1pd7 h ASN 8 Cb 0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1pd7 h ASN 8 CO -0.02 0.57 -0.44 0.78 -1.29 0.00 0.00 177.43 177.03 1pd7 h ASN 9 N 0.00 0.22 -0.28 5.81 2.35 -1.17 -2.62 115.58 119.88 1pd7 h ASN 9 Ca -0.01 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 1pd7 h ASN 9 Cb 1.10 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1pd7 h ASN 9 CO 0.07 0.64 -0.21 0.00 -1.65 0.00 0.00 177.43 176.28 1pd7 h ALA 10 N 1.38 0.40 -0.60 -0.83 0.00 -0.76 -3.25 119.26 115.60 1pd7 h ALA 10 Ca 0.01 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1pd7 h ALA 10 Cb 0.85 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1pd7 h ALA 10 CO 0.07 0.35 0.15 0.82 0.00 0.00 0.00 179.25 180.63 1pd7 h ILE 11 N 0.36 0.67 -0.94 0.00 1.08 -1.13 -1.37 117.51 116.18 1pd7 h ILE 11 Ca 0.05 -0.10 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 1pd7 h ILE 11 Cb 0.76 0.35 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 1pd7 h ILE 11 CO 0.06 0.05 0.60 0.28 -0.69 0.00 0.00 178.15 178.45 1pd7 h SER 12 N 0.29 0.71 0.15 1.72 0.02 -1.52 0.13 113.55 115.05 1pd7 h SER 12 Ca 0.31 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1pd7 h SER 12 Cb 0.45 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1pd7 h SER 12 CO -0.38 0.33 -0.07 0.22 -1.14 0.00 0.00 176.83 175.78 1pd7 h TYR 13 N 0.73 -0.19 -0.83 3.45 3.20 -1.30 -2.11 116.97 119.91 1pd7 h TYR 13 Ca 0.49 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.40 1pd7 h TYR 13 Cb 0.78 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.06 1pd7 h TYR 13 CO -0.00 0.22 0.53 0.28 -1.64 0.00 0.00 178.16 177.54 1pd7 h VAL 14 N -0.68 1.08 -0.54 1.81 2.07 -1.07 -0.80 116.25 118.12 1pd7 h VAL 14 Ca -0.02 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.22 1pd7 h VAL 14 Cb 0.50 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1pd7 h VAL 14 CO 0.03 0.18 0.23 -1.13 0.02 0.00 0.00 177.57 176.91 1pd7 h ASN 15 N 0.99 0.29 -0.51 0.57 -1.24 -0.79 0.26 115.58 115.17 1pd7 h ASN 15 Ca 0.35 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 57.35 1pd7 h ASN 15 Cb 0.09 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1pd7 h ASN 15 CO -0.14 0.20 0.10 0.50 -1.29 0.00 0.00 177.43 176.80 1pd7 h LYS 16 N 0.45 0.88 -0.57 6.67 3.64 -0.63 -0.62 116.57 126.39 1pd7 h LYS 16 Ca 0.25 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1pd7 h LYS 16 Cb 0.23 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1pd7 h LYS 16 CO -0.22 0.81 0.03 0.82 -2.27 0.00 0.00 179.45 178.62 1pd7 h ILE 17 N 0.84 1.26 -0.41 2.00 2.04 -0.88 -2.17 117.51 120.19 1pd7 h ILE 17 Ca 0.18 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1pd7 h ILE 17 Cb 0.35 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1pd7 h ILE 17 CO 0.00 0.39 0.21 0.07 0.00 0.00 0.00 178.15 178.83 1pd7 h LYS 18 N 0.89 0.58 -0.66 2.37 2.10 -0.19 -2.91 116.57 118.75 1pd7 h LYS 18 Ca 0.17 -0.08 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 1pd7 h LYS 18 Cb 0.51 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 1pd7 h LYS 18 CO 0.02 0.48 0.17 1.15 -2.00 0.00 0.00 179.45 179.28 1pd7 h THR 19 N 0.52 1.25 0.00 0.07 2.02 -0.88 -2.57 112.91 113.32 1pd7 h THR 19 Ca 0.14 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1pd7 h THR 19 Cb 0.08 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1pd7 h THR 19 CO -0.02 0.35 -0.29 0.54 0.37 0.00 0.00 175.52 176.47 1pd7 n ARG 20 N -4.25 0.02 -2.02 6.66 5.12 -0.84 -3.95 116.66 117.40 1pd7 n ARG 20 Ca 0.05 0.01 -0.25 0.00 -1.93 0.00 0.00 57.85 55.73 1pd7 n ARG 20 Cb 0.24 -1.51 0.02 0.00 -1.16 0.00 0.00 32.46 30.05 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 -1.54 2.80 -0.06 -1.55 3.72 -1.00 -4.67 117.46 115.16 1pd7 n PHE 21 Ca 0.06 -2.29 -0.15 0.00 -0.05 0.00 0.00 57.45 55.02 1pd7 n PHE 21 Cb 0.34 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 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 2.19 0.85 0.00 4.37 3.38 -1.61 -2.53 115.31 121.96 1pd7 h LEU 22 Ca 0.38 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1pd7 h LEU 22 Cb 1.48 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1pd7 h LEU 22 CO 0.79 1.26 0.00 0.47 0.09 0.00 0.00 178.44 181.05 1pd7 n ASP 23 N -4.10 0.00 -3.11 -0.43 9.92 -1.26 -4.04 116.55 113.54 1pd7 n ASP 23 Ca -0.06 0.08 -0.23 0.00 -0.53 0.00 0.00 54.79 54.06 1pd7 n ASP 23 Cb 0.61 -0.35 -0.04 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.35 2.00 1.51 1.24 8.25 -0.97 -4.92 115.22 120.99 1pd7 n HIS 24 Ca 0.10 -3.90 0.14 0.00 -0.26 0.00 0.00 57.72 53.81 1pd7 n HIS 24 Cb 0.23 -0.45 0.76 0.00 1.12 0.00 0.00 29.99 31.65 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 0.23 0.59 0.24 -0.41 -0.04 -1.15 -1.00 135.00 133.46 1pd7 n PRO 25 Ca 0.27 0.02 0.16 0.00 -0.04 0.00 0.00 63.50 63.91 1pd7 n PRO 25 Cb 0.52 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.30 0.54 4.11 -1.91 -2.74 114.58 114.88 1pd7 h GLU 26 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1pd7 h GLU 26 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1pd7 h GLU 26 CO 0.00 0.00 -0.14 0.82 0.07 0.00 0.00 179.01 179.76 1pd7 h ILE 27 N 0.00 0.57 -0.46 -1.06 1.08 -1.40 -3.05 117.51 113.19 1pd7 h ILE 27 Ca 0.00 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1pd7 h ILE 27 Cb 0.49 0.90 -0.10 0.00 -3.07 0.00 0.00 36.82 35.04 1pd7 h ILE 27 CO 0.00 0.13 -0.22 0.22 -0.69 0.00 0.00 178.15 177.58 1pd7 h TYR 28 N -0.91 -0.57 -0.41 1.37 3.20 -1.61 0.39 116.97 118.43 1pd7 h TYR 28 Ca -0.04 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1pd7 h TYR 28 Cb 0.51 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1pd7 h TYR 28 CO 0.04 -0.30 0.24 -0.09 -1.64 0.00 0.00 178.16 176.40 1pd7 h ARG 29 N -0.13 0.46 0.10 1.82 1.12 -1.64 -3.27 114.38 112.85 1pd7 h ARG 29 Ca 0.22 -0.03 -0.27 0.00 -1.11 0.00 0.00 59.98 58.79 1pd7 h ARG 29 Cb 0.47 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1pd7 h ARG 29 CO -0.54 0.31 -1.25 0.77 -3.11 0.00 0.00 179.97 176.14 1pd7 h SER 30 N 0.48 0.33 -0.50 -3.80 0.02 -1.10 -3.17 113.55 105.81 1pd7 h SER 30 Ca 0.17 -0.37 0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1pd7 h SER 30 Cb 0.02 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.36 1pd7 h SER 30 CO -0.09 1.29 -0.43 0.15 -1.14 0.00 0.00 176.83 176.62 1pd7 h PHE 31 N 0.06 -1.26 -0.16 3.45 3.57 -0.35 -2.62 116.94 119.64 1pd7 h PHE 31 Ca -0.13 0.08 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 1pd7 h PHE 31 Cb 1.94 0.62 -0.00 0.00 2.79 0.00 0.00 35.95 41.30 1pd7 h PHE 31 CO 0.05 -0.43 -0.65 -0.07 -2.23 0.00 0.00 178.31 174.98 1pd7 h LEU 32 N -0.27 0.67 -0.99 0.59 3.38 -1.64 -3.06 115.31 113.99 1pd7 h LEU 32 Ca 0.16 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.91 1pd7 h LEU 32 Cb 0.57 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 1pd7 h LEU 32 CO -0.63 1.14 0.59 -0.08 0.09 0.00 0.00 178.44 179.55 1pd7 h GLU 33 N 0.43 0.76 -0.23 1.13 4.81 -1.49 0.30 114.58 120.30 1pd7 h GLU 33 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1pd7 h GLU 33 Cb 1.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1pd7 h GLU 33 CO 0.12 0.50 0.15 0.82 -0.73 0.00 0.00 179.01 179.87 1pd7 h ILE 34 N 0.79 1.07 0.00 2.32 2.04 -1.37 -1.56 117.51 120.79 1pd7 h ILE 34 Ca 0.55 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 66.25 1pd7 h ILE 34 Cb 0.81 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1pd7 h ILE 34 CO -0.36 0.07 -0.06 -0.07 0.00 0.00 0.00 178.15 177.73 1pd7 h LEU 35 N 0.30 0.00 -0.33 1.44 3.38 -1.18 -2.74 115.31 116.18 1pd7 h LEU 35 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1pd7 h LEU 35 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1pd7 h LEU 35 CO -0.02 0.06 -0.84 0.45 0.09 0.00 0.00 178.44 178.17 1pd7 h HIS 36 N 0.00 0.10 -0.89 1.13 3.86 -0.16 -1.41 115.15 117.78 1pd7 h HIS 36 Ca -0.00 -0.06 0.23 0.00 -1.16 0.00 0.00 60.37 59.38 1pd7 h HIS 36 Cb 0.60 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.00 1pd7 h HIS 36 CO 0.00 0.88 0.61 1.15 0.86 0.00 0.00 177.93 181.43 1pd7 h THR 37 N 0.04 0.62 0.02 2.45 2.02 -0.97 -1.32 112.91 115.77 1pd7 h THR 37 Ca -0.02 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1pd7 h THR 37 Cb 1.47 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1pd7 h THR 37 CO 0.12 0.04 -0.01 0.22 0.37 0.00 0.00 175.52 176.26 1pd7 h TYR 38 N 0.23 -0.03 0.00 3.16 3.20 -1.55 -3.42 116.97 118.56 1pd7 h TYR 38 Ca 0.45 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.32 1pd7 h TYR 38 Cb 1.39 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1pd7 h TYR 38 CO -0.00 -0.02 0.00 -0.56 -1.64 0.00 0.00 178.16 175.94 1pd7 h GLN 39 N -0.70 0.00 -1.00 1.82 -0.00 -0.89 -3.22 115.11 111.11 1pd7 h GLN 39 Ca -0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.65 58.81 1pd7 h GLN 39 Cb 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.40 1pd7 h GLN 39 CO 0.00 0.00 0.62 -0.22 -0.00 0.00 0.00 178.83 179.23 1pd7 h LYS 40 N 0.00 0.84 0.00 0.06 3.64 -1.51 -2.19 116.57 117.41 1pd7 h LYS 40 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1pd7 h LYS 40 Cb 0.77 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1pd7 h LYS 40 CO 0.00 0.56 -0.03 0.93 -2.27 0.00 0.00 179.45 178.63 1pd7 h GLU 41 N 0.87 0.00 0.00 1.90 5.08 -1.82 -1.99 114.58 118.62 1pd7 h GLU 41 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1pd7 h GLU 41 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1pd7 h GLU 41 CO -0.33 0.03 0.00 1.96 -1.00 0.00 0.00 179.01 179.67 1pd7 h GLN 42 N 0.00 0.00 0.00 2.33 4.20 -1.60 -3.24 115.11 116.81 1pd7 h GLN 42 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pd7 h GLN 42 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1pd7 h GLN 42 CO 0.00 0.00 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.01 1pd7 h LEU 43 N 0.00 0.00 -5.76 1.46 3.38 -1.40 -3.45 115.31 109.53 1pd7 h LEU 43 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1pd7 h LEU 43 Cb 0.71 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.12 1pd7 h LEU 43 CO 0.00 0.27 -0.99 0.00 0.09 0.00 0.00 178.44 177.81 1pd7 n HIS 44 N -3.30 -0.82 -2.86 1.13 1.44 -1.16 -5.08 115.22 104.56 1pd7 n HIS 44 Ca -0.01 -3.27 -0.41 0.00 -2.01 0.00 0.00 57.72 52.02 1pd7 n HIS 44 Cb 0.05 0.09 -0.04 0.00 0.12 0.00 0.00 29.99 30.21 1pd7 n HIS 44 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1pd7 s THR 45 N -1.24 4.92 -0.64 0.61 -1.32 -1.22 -4.97 115.64 111.78 1pd7 s THR 45 Ca 0.35 1.74 0.06 0.00 -1.21 0.00 0.00 61.69 62.63 1pd7 s THR 45 Cb 0.26 -4.18 0.21 0.00 -1.51 0.00 0.00 72.50 67.28 1pd7 s THR 45 CO -0.11 0.13 0.61 0.29 -2.21 0.00 0.00 174.62 173.33 1pd7 n LYS 46 N 4.38 2.00 0.00 7.08 5.02 -1.26 -4.87 118.16 130.52 1pd7 n LYS 46 Ca 0.04 -4.42 0.00 0.00 -2.02 0.00 0.00 58.31 51.91 1pd7 n LYS 46 Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1pd7 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pd7 n GLY 47 N 1.44 -1.64 3.58 0.72 0.00 -1.26 -5.10 105.19 102.93 1pd7 n GLY 47 Ca 0.25 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.43 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 3.82 -0.79 1.61 1.70 -1.26 -5.02 118.95 119.02 1pd7 s ARG 48 Ca 0.00 0.06 -0.26 0.00 -0.47 0.00 0.00 55.73 55.05 1pd7 s ARG 48 Cb 0.00 -3.74 0.03 0.00 -0.57 0.00 0.00 34.95 30.67 1pd7 s ARG 48 CO 0.00 -0.52 1.33 -1.25 -1.08 0.00 0.00 175.30 173.78 1pd7 s PRO 49 N 2.37 3.25 0.46 3.89 0.04 -1.26 -4.91 135.00 138.84 1pd7 s PRO 49 Ca 0.20 -0.39 0.05 0.00 0.04 0.00 0.00 61.00 60.90 1pd7 s PRO 49 Cb -0.15 -4.41 -0.03 0.00 0.04 0.00 0.00 34.50 29.95 1pd7 s PRO 49 CO 0.12 -2.18 0.12 0.12 0.04 0.00 0.00 177.00 175.22 1pd7 s PHE 50 N 5.69 2.22 0.00 0.56 5.36 -1.26 -5.12 117.98 125.42 1pd7 s PHE 50 Ca 0.38 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 1pd7 s PHE 50 Cb -0.07 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 1pd7 s PHE 50 CO 0.10 0.17 0.00 2.89 -1.46 0.00 0.00 175.22 176.92 1pd7 n ARG 51 N -1.26 0.00 -2.06 10.12 1.85 -1.26 -4.71 116.66 119.34 1pd7 n ARG 51 Ca -0.08 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.48 1pd7 n ARG 51 Cb 0.66 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.09 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1pd7 s GLY 52 N 0.00 1.62 0.00 2.89 0.00 -1.26 -4.78 107.32 105.78 1pd7 s GLY 52 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1pd7 s GLY 52 CO 0.00 -0.03 0.00 1.15 0.00 0.00 0.00 173.10 174.22 1pd7 n MET 53 N -2.75 0.00 -2.94 2.90 0.00 -1.26 -4.90 117.12 108.17 1pd7 n MET 53 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.34 1pd7 n MET 53 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.73 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 6.70 0.44 3.17 0.01 -1.26 -4.94 113.70 116.81 1pd7 s SER 54 Ca 0.00 0.75 0.12 0.00 1.31 0.00 0.00 55.95 58.13 1pd7 s SER 54 Cb 0.00 -2.41 1.02 0.00 0.21 0.00 0.00 66.02 64.84 1pd7 s SER 54 CO 0.00 -0.59 2.02 -0.33 0.41 0.00 0.00 173.24 174.76 1pd7 h GLU 55 N 8.02 0.38 -0.42 12.44 4.39 -2.01 0.24 114.58 137.62 1pd7 h GLU 55 Ca -0.24 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.56 1pd7 h GLU 55 Cb 1.10 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1pd7 h GLU 55 CO 0.88 0.25 0.39 0.93 -1.16 0.00 0.00 179.01 180.30 1pd7 h GLU 56 N 0.40 0.00 0.08 2.33 4.39 -1.98 -2.93 114.58 116.86 1pd7 h GLU 56 Ca 0.21 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.62 1pd7 h GLU 56 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1pd7 h GLU 56 CO -0.05 0.00 -1.48 1.05 -1.16 0.00 0.00 179.01 177.37 1pd7 h GLU 57 N 0.00 0.17 -0.47 2.33 4.11 -1.35 -1.10 114.58 118.27 1pd7 h GLU 57 Ca 0.20 -0.29 -0.11 0.00 0.07 0.00 0.00 59.36 59.23 1pd7 h GLU 57 Cb 0.97 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1pd7 h GLU 57 CO -0.00 1.00 -0.15 -0.24 0.07 0.00 0.00 179.01 179.69 1pd7 h VAL 58 N 0.05 1.27 0.08 -1.06 3.04 -1.51 0.22 116.25 118.34 1pd7 h VAL 58 Ca -0.22 -1.28 0.02 0.00 -1.01 0.00 0.00 66.70 64.22 1pd7 h VAL 58 Cb 1.98 1.06 -0.03 0.00 -2.01 0.00 0.00 31.29 32.29 1pd7 h VAL 58 CO 0.14 0.44 -0.18 0.15 -1.01 0.00 0.00 177.57 177.11 1pd7 h PHE 59 N 0.80 -0.48 -0.83 3.17 3.57 -1.59 -2.68 116.94 118.89 1pd7 h PHE 59 Ca 0.12 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1pd7 h PHE 59 Cb 0.68 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1pd7 h PHE 59 CO 0.04 -0.27 0.52 0.00 -2.23 0.00 0.00 178.31 176.37 1pd7 h THR 60 N -0.34 1.06 -0.13 4.41 1.03 -0.27 -2.14 112.91 116.52 1pd7 h THR 60 Ca 0.03 -0.33 -0.06 0.00 -0.01 0.00 0.00 66.41 66.04 1pd7 h THR 60 Cb 0.37 0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 67.46 1pd7 h THR 60 CO -0.12 0.18 -0.16 -0.33 -0.01 0.00 0.00 175.52 175.08 1pd7 h GLU 61 N 0.96 0.34 -0.74 0.00 4.39 -0.63 -2.98 114.58 115.93 1pd7 h GLU 61 Ca 0.36 -0.19 0.15 0.00 0.34 0.00 0.00 59.36 60.01 1pd7 h GLU 61 Cb 0.13 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1pd7 h GLU 61 CO -0.16 0.75 0.50 0.28 -1.16 0.00 0.00 179.01 179.22 1pd7 h VAL 62 N -0.04 0.79 0.00 3.13 2.07 -1.37 -2.44 116.25 118.39 1pd7 h VAL 62 Ca 0.02 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1pd7 h VAL 62 Cb 0.70 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1pd7 h VAL 62 CO 0.04 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 177.41 1pd7 h ALA 63 N 1.65 1.48 -0.25 1.67 0.00 -1.22 -1.75 119.26 120.83 1pd7 h ALA 63 Ca 0.36 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1pd7 h ALA 63 Cb 0.86 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1pd7 h ALA 63 CO -0.11 0.36 -0.55 -0.91 0.00 0.00 0.00 179.25 178.04 1pd7 h ASN 64 N 0.00 0.85 1.73 0.00 2.35 -1.45 -2.38 115.58 116.68 1pd7 h ASN 64 Ca -0.00 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1pd7 h ASN 64 Cb 0.53 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1pd7 h ASN 64 CO 0.04 1.23 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.92 1pd7 h LEU 65 N 0.59 0.00 -2.00 1.61 4.07 -1.49 -3.16 115.31 114.92 1pd7 h LEU 65 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1pd7 h LEU 65 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1pd7 h LEU 65 CO 0.12 0.06 0.00 0.49 -1.08 0.00 0.00 178.44 178.03 1pd7 n PHE 66 N -3.12 0.19 -1.67 1.13 3.01 -0.72 -4.97 117.46 111.31 1pd7 n PHE 66 Ca 0.03 -0.11 -0.44 0.00 1.01 0.00 0.00 57.45 57.94 1pd7 n PHE 66 Cb 0.50 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.94 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 1.17 2.66 0.00 -1.08 0.63 -0.90 -2.45 116.66 116.69 1pd7 n ARG 67 Ca 0.14 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 1pd7 n ARG 67 Cb 0.52 -2.89 0.00 0.00 0.45 0.00 0.00 32.46 30.53 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 4.48 3.57 3.07 5.14 0.00 -1.26 -5.08 105.19 115.12 1pd7 n GLY 68 Ca 0.21 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1pd7 n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pd7 s GLN 69 N 0.00 1.99 0.49 1.61 -2.07 -1.02 -4.97 119.66 115.69 1pd7 s GLN 69 Ca 0.00 -1.55 0.28 0.00 -1.82 0.00 0.00 55.36 52.26 1pd7 s GLN 69 Cb 0.00 -3.10 0.88 0.00 -1.09 0.00 0.00 33.01 29.70 1pd7 s GLN 69 CO 0.00 -0.74 1.80 0.93 -1.32 0.00 0.00 175.29 175.96 1pd7 h GLU 70 N 7.77 0.00 -0.17 9.60 4.39 -1.98 -3.30 114.58 130.89 1pd7 h GLU 70 Ca -0.14 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1pd7 h GLU 70 Cb 1.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1pd7 h GLU 70 CO 0.51 0.04 -0.05 0.22 -1.16 0.00 0.00 179.01 178.57 1pd7 h ASP 71 N 0.00 0.24 -0.01 1.42 1.82 -1.97 -1.60 116.42 116.33 1pd7 h ASP 71 Ca -0.00 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1pd7 h ASP 71 Cb 0.76 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 1pd7 h ASP 71 CO 0.01 0.33 -0.00 -0.07 -1.61 0.00 0.00 179.24 177.89 1pd7 h LEU 72 N 0.25 0.01 -1.67 2.28 3.38 -1.97 -3.19 115.31 114.40 1pd7 h LEU 72 Ca 0.06 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1pd7 h LEU 72 Cb 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pd7 h LEU 72 CO 0.01 0.40 -0.07 -0.07 0.09 0.00 0.00 178.44 178.80 1pd7 h LEU 73 N -0.38 0.00 0.22 1.67 -0.00 -1.64 -1.83 115.31 113.35 1pd7 h LEU 73 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1pd7 h LEU 73 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1pd7 h LEU 73 CO 0.00 0.07 -0.11 -1.28 -0.00 0.00 0.00 178.44 177.12 1pd7 h SER 74 N 0.00 -0.25 1.42 -0.43 0.87 -1.34 -2.98 113.55 110.84 1pd7 h SER 74 Ca -0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1pd7 h SER 74 Cb 0.46 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1pd7 h SER 74 CO 0.01 -0.09 0.00 -0.33 -0.53 0.00 0.00 176.83 175.89 1pd7 h GLU 75 N -0.41 0.00 0.00 2.24 5.08 -1.47 -2.81 114.58 117.21 1pd7 h GLU 75 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pd7 h GLU 75 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1pd7 h GLU 75 CO 0.05 0.00 -0.01 0.35 -1.00 0.00 0.00 179.01 178.40 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.18 -2.50 116.94 121.16 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 0.71 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1pd7 h PHE 76 CO 0.00 0.01 0.14 0.78 -2.23 0.00 0.00 178.31 177.01 1pd7 h GLY 77 N 0.16 0.00 -0.34 2.40 0.00 -1.48 -3.17 103.07 100.65 1pd7 h GLY 77 Ca -0.00 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.61 1pd7 h GLY 77 CO 0.00 0.00 0.58 0.06 0.00 0.00 0.00 176.54 177.18 1pd7 h GLN 78 N 0.00 0.44 0.00 4.80 3.07 -1.68 -2.77 115.11 118.97 1pd7 h GLN 78 Ca 0.00 -0.03 -0.19 0.00 0.09 0.00 0.00 58.65 58.52 1pd7 h GLN 78 Cb 0.28 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 1pd7 h GLN 78 CO 0.00 0.29 -1.23 0.34 0.09 0.00 0.00 178.83 178.31 1pd7 n PHE 79 N -4.97 0.79 0.00 0.06 7.35 -1.20 -4.97 117.46 114.52 1pd7 n PHE 79 Ca 0.29 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 1pd7 n PHE 79 Cb 0.86 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.73 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 -4.46 0.77 -4.77 -2.13 4.77 -1.04 -4.67 117.00 105.47 1pd7 n LEU 80 Ca -0.28 0.39 -0.38 0.00 -0.03 0.00 0.00 56.01 55.71 1pd7 n LEU 80 Cb 0.59 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1pd7 n LEU 80 CO 0.14 -0.02 0.78 -2.16 -1.33 0.00 0.00 177.39 174.80 1pd7 s PRO 81 N -0.81 4.31 0.00 3.23 0.04 -1.26 -5.01 135.00 135.51 1pd7 s PRO 81 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1pd7 s PRO 81 Cb 0.00 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1pd7 s PRO 81 CO 0.00 -0.05 0.24 0.39 0.04 0.00 0.00 177.00 177.62 1pd7 n GLU 82 N 0.42 0.00 0.08 4.56 -0.58 -1.26 -4.92 120.64 118.94 1pd7 n GLU 82 Ca 0.03 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1pd7 n GLU 82 Cb 0.47 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pd7 n ALA 83 N -1.57 1.90 0.00 0.62 0.00 -1.26 -5.04 120.51 115.15 1pd7 n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pd7 n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.91 0.00 -0.94 0.00 4.76 -1.26 -5.29 118.16 112.52 1pd7 n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pd7 n LYS 84 Cb 0.00 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1pd7 n LYS 84 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57