#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 0.13 4.31 1.04 -1.26 -5.02 113.70 112.93 1pd7 s SER 2 Ca 0.00 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1pd7 s SER 2 Cb 0.00 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1pd7 s SER 2 CO 0.00 -0.22 0.00 0.47 0.98 0.00 0.00 173.24 174.47 1pd7 n ASP 3 N 5.04 0.80 -1.59 7.02 8.00 -1.26 -4.97 116.55 129.59 1pd7 n ASP 3 Ca -0.12 0.20 -0.07 0.00 0.71 0.00 0.00 54.79 55.51 1pd7 n ASP 3 Cb 0.51 -0.17 0.09 0.00 -0.02 0.00 0.00 41.12 41.52 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 -3.43 2.82 0.00 -2.24 7.64 -1.26 -4.81 113.62 112.35 1pd7 n SER 4 Ca 0.00 -3.32 -0.12 0.00 1.01 0.00 0.00 58.87 56.44 1pd7 n SER 4 Cb 0.00 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 62.70 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 2.92 1.22 0.00 0.44 2.07 -1.96 -2.72 116.25 118.22 1pd7 h VAL 5 Ca 0.09 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1pd7 h VAL 5 Cb 1.36 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1pd7 h VAL 5 CO 0.33 0.18 -0.02 -0.33 0.02 0.00 0.00 177.57 177.74 1pd7 h GLU 6 N -0.25 0.00 -0.13 1.57 5.08 -1.98 -1.76 114.58 117.11 1pd7 h GLU 6 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1pd7 h GLU 6 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1pd7 h GLU 6 CO 0.00 0.00 -0.01 0.35 -1.00 0.00 0.00 179.01 178.35 1pd7 h PHE 7 N 0.00 -0.03 0.00 4.33 3.57 -1.89 -1.75 116.94 121.17 1pd7 h PHE 7 Ca 0.00 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1pd7 h PHE 7 Cb 0.92 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1pd7 h PHE 7 CO 0.00 -0.03 -0.52 -0.91 -2.23 0.00 0.00 178.31 174.62 1pd7 h ASN 8 N 0.03 0.00 0.39 0.41 2.35 -1.12 -1.11 115.58 116.53 1pd7 h ASN 8 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1pd7 h ASN 8 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1pd7 h ASN 8 CO -0.11 0.52 -0.48 0.78 -1.65 0.00 0.00 177.43 176.49 1pd7 h ASN 9 N 0.00 0.12 -0.29 5.81 2.35 -1.30 0.48 115.58 122.75 1pd7 h ASN 9 Ca -0.01 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1pd7 h ASN 9 Cb 1.17 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 1pd7 h ASN 9 CO 0.07 0.58 0.00 0.00 -1.65 0.00 0.00 177.43 176.43 1pd7 h ALA 10 N 1.43 0.39 -0.35 -0.83 0.00 -0.58 -2.13 119.26 117.18 1pd7 h ALA 10 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1pd7 h ALA 10 Cb 0.88 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1pd7 h ALA 10 CO 0.07 0.13 0.05 0.82 0.00 0.00 0.00 179.25 180.31 1pd7 h ILE 11 N 0.29 0.80 -0.85 0.00 1.08 -0.97 -1.32 117.51 116.55 1pd7 h ILE 11 Ca 0.08 -0.06 0.14 0.00 -0.39 0.00 0.00 64.86 64.63 1pd7 h ILE 11 Cb 0.42 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 34.70 1pd7 h ILE 11 CO 0.01 0.03 0.45 -1.28 -0.69 0.00 0.00 178.15 176.67 1pd7 h SER 12 N 0.16 0.56 0.46 1.72 0.87 -0.85 0.21 113.55 116.69 1pd7 h SER 12 Ca 0.17 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1pd7 h SER 12 Cb 0.20 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1pd7 h SER 12 CO -0.24 0.25 -0.22 0.22 -0.53 0.00 0.00 176.83 176.31 1pd7 h TYR 13 N 0.66 -0.57 -0.78 2.24 3.20 -0.76 -1.55 116.97 119.40 1pd7 h TYR 13 Ca 0.45 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.34 1pd7 h TYR 13 Cb 0.61 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.02 1pd7 h TYR 13 CO -0.08 -0.26 0.49 0.28 -1.64 0.00 0.00 178.16 176.95 1pd7 h VAL 14 N -0.87 1.12 -0.79 1.81 2.07 -1.03 -0.81 116.25 117.75 1pd7 h VAL 14 Ca -0.06 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1pd7 h VAL 14 Cb 0.57 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1pd7 h VAL 14 CO 0.10 0.18 0.47 -1.13 0.02 0.00 0.00 177.57 177.22 1pd7 h ASN 15 N 0.97 0.74 -0.70 0.57 -1.24 -0.61 0.14 115.58 115.44 1pd7 h ASN 15 Ca 0.31 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.29 1pd7 h ASN 15 Cb 0.00 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 1pd7 h ASN 15 CO -0.11 0.48 0.26 0.11 -1.29 0.00 0.00 177.43 176.88 1pd7 h LYS 16 N 0.87 1.05 -0.52 6.67 1.57 -0.63 -0.29 116.57 125.30 1pd7 h LYS 16 Ca 0.34 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1pd7 h LYS 16 Cb 0.16 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1pd7 h LYS 16 CO -0.17 0.88 0.34 0.82 -0.57 0.00 0.00 179.45 180.75 1pd7 h ILE 17 N 1.00 1.13 0.23 1.86 2.04 -0.68 0.19 117.51 123.29 1pd7 h ILE 17 Ca 0.23 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1pd7 h ILE 17 Cb 0.24 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1pd7 h ILE 17 CO -0.02 0.13 -0.13 0.11 0.00 0.00 0.00 178.15 178.24 1pd7 h LYS 18 N 0.70 -0.34 -0.44 2.37 1.57 -0.61 -2.29 116.57 117.53 1pd7 h LYS 18 Ca 0.19 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1pd7 h LYS 18 Cb -0.08 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1pd7 h LYS 18 CO -0.04 -0.22 -0.10 1.15 -0.57 0.00 0.00 179.45 179.67 1pd7 h THR 19 N -0.35 1.26 0.10 -0.16 2.02 -0.78 -3.09 112.91 111.91 1pd7 h THR 19 Ca -0.02 -1.15 -0.30 0.00 0.77 0.00 0.00 66.41 65.70 1pd7 h THR 19 Cb 0.29 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1pd7 h THR 19 CO 0.03 0.40 -1.51 0.03 0.37 0.00 0.00 175.52 174.84 1pd7 h ARG 20 N 0.71 0.21 -1.75 6.66 2.47 -0.70 -3.33 114.38 118.66 1pd7 h ARG 20 Ca 0.12 -0.36 -0.44 0.00 -1.26 0.00 0.00 59.98 58.04 1pd7 h ARG 20 Cb 0.58 0.14 -0.17 0.00 -1.65 0.00 0.00 29.97 28.86 1pd7 h ARG 20 CO 0.04 1.06 0.44 1.19 0.56 0.00 0.00 179.97 183.26 1pd7 n PHE 21 N -3.42 1.68 0.06 3.04 3.72 -0.86 -4.17 117.46 117.52 1pd7 n PHE 21 Ca -0.15 -2.02 -0.14 0.00 -0.05 0.00 0.00 57.45 55.08 1pd7 n PHE 21 Cb 1.04 -1.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.31 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 3.23 0.58 -1.51 4.37 3.38 -1.65 -2.90 115.31 120.81 1pd7 h LEU 22 Ca 0.37 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pd7 h LEU 22 Cb 0.80 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pd7 h LEU 22 CO 0.88 1.27 0.00 0.44 0.09 0.00 0.00 178.44 181.12 1pd7 h ASP 23 N 0.25 0.00 -2.45 -0.43 5.19 -1.90 -3.36 116.42 113.72 1pd7 h ASP 23 Ca -0.09 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.73 1pd7 h ASP 23 Cb 1.60 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.71 1pd7 h ASP 23 CO 0.17 0.00 -0.80 1.41 -3.12 0.00 0.00 179.24 176.90 1pd7 n HIS 24 N -2.80 1.49 1.04 4.55 8.25 -1.10 -4.96 115.22 121.70 1pd7 n HIS 24 Ca 0.00 -3.85 0.10 0.00 -0.26 0.00 0.00 57.72 53.71 1pd7 n HIS 24 Cb 0.22 -0.32 0.54 0.00 1.12 0.00 0.00 29.99 31.55 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 1.80 0.38 0.06 -0.41 -0.02 -1.22 -2.76 135.00 132.82 1pd7 n PRO 25 Ca 0.25 0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.74 1pd7 n PRO 25 Cb 0.44 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.35 -0.18 -0.52 5.08 -1.93 -3.09 114.58 114.30 1pd7 h GLU 26 Ca 0.00 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1pd7 h GLU 26 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1pd7 h GLU 26 CO 0.00 0.83 -0.19 0.82 -1.00 0.00 0.00 179.01 179.46 1pd7 h ILE 27 N 0.27 1.22 0.00 3.13 1.08 -1.87 -1.95 117.51 119.40 1pd7 h ILE 27 Ca 0.00 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1pd7 h ILE 27 Cb 1.08 1.30 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1pd7 h ILE 27 CO 0.09 0.31 -0.09 0.22 -0.69 0.00 0.00 178.15 178.00 1pd7 h TYR 28 N 0.28 0.00 0.00 1.37 3.20 -1.73 0.17 116.97 120.26 1pd7 h TYR 28 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1pd7 h TYR 28 Cb 0.50 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1pd7 h TYR 28 CO 0.01 0.09 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.47 1pd7 h ARG 29 N 0.00 0.00 0.00 1.82 9.65 -1.49 -3.40 114.38 120.96 1pd7 h ARG 29 Ca -0.00 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1pd7 h ARG 29 Cb 0.34 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 1pd7 h ARG 29 CO 0.01 0.86 -0.88 0.66 2.80 0.00 0.00 179.97 183.42 1pd7 h SER 30 N -1.00 0.00 0.45 -3.80 4.64 -1.04 -3.20 113.55 109.60 1pd7 h SER 30 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1pd7 h SER 30 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1pd7 h SER 30 CO -0.01 0.88 -0.36 0.15 -0.87 0.00 0.00 176.83 176.61 1pd7 h PHE 31 N 0.00 -0.98 -0.12 4.77 3.57 -0.92 -3.13 116.94 120.14 1pd7 h PHE 31 Ca -0.01 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1pd7 h PHE 31 Cb 1.65 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.75 1pd7 h PHE 31 CO 0.00 -0.53 -0.63 -0.07 -2.23 0.00 0.00 178.31 174.86 1pd7 h LEU 32 N -0.81 0.50 -1.28 0.59 3.38 -1.77 -2.35 115.31 113.57 1pd7 h LEU 32 Ca -0.04 -0.29 0.36 0.00 0.09 0.00 0.00 57.88 57.99 1pd7 h LEU 32 Cb 0.70 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1pd7 h LEU 32 CO -0.01 1.00 0.72 -0.33 0.09 0.00 0.00 178.44 179.91 1pd7 h GLU 33 N 0.32 0.22 -0.13 1.13 4.39 -1.60 0.40 114.58 119.32 1pd7 h GLU 33 Ca -0.01 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1pd7 h GLU 33 Cb 1.17 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1pd7 h GLU 33 CO 0.11 0.15 -0.42 0.82 -1.16 0.00 0.00 179.01 178.51 1pd7 h ILE 34 N 0.23 1.36 0.00 3.13 2.04 -1.36 -2.65 117.51 120.27 1pd7 h ILE 34 Ca 0.73 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 1pd7 h ILE 34 Cb 2.03 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 40.20 1pd7 h ILE 34 CO -0.44 0.52 -0.43 -0.07 0.00 0.00 0.00 178.15 177.73 1pd7 h LEU 35 N 0.11 0.00 -0.86 1.44 3.38 -1.16 -2.62 115.31 115.60 1pd7 h LEU 35 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1pd7 h LEU 35 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1pd7 h LEU 35 CO 0.09 0.43 -0.48 0.45 0.09 0.00 0.00 178.44 179.02 1pd7 h HIS 36 N 0.00 0.25 -0.76 1.13 3.86 -0.30 -1.65 115.15 117.69 1pd7 h HIS 36 Ca -0.00 -0.08 0.16 0.00 -1.16 0.00 0.00 60.37 59.29 1pd7 h HIS 36 Cb 0.86 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.23 1pd7 h HIS 36 CO 0.00 0.65 0.51 1.15 0.86 0.00 0.00 177.93 181.10 1pd7 h THR 37 N 0.17 0.76 0.26 2.45 2.02 -1.08 0.49 112.91 117.98 1pd7 h THR 37 Ca 0.01 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1pd7 h THR 37 Cb 0.91 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1pd7 h THR 37 CO 0.07 0.06 -0.13 0.22 0.37 0.00 0.00 175.52 176.12 1pd7 h TYR 38 N 0.35 -0.33 0.00 3.16 3.20 -1.49 -3.40 116.97 118.46 1pd7 h TYR 38 Ca 0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1pd7 h TYR 38 Cb 0.94 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1pd7 h TYR 38 CO -0.00 -0.20 0.00 -0.56 -1.64 0.00 0.00 178.16 175.76 1pd7 h GLN 39 N -0.85 0.00 -0.87 1.82 -0.00 -0.78 -2.83 115.11 111.60 1pd7 h GLN 39 Ca -0.04 0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.87 1pd7 h GLN 39 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.72 1pd7 h GLN 39 CO 0.06 0.00 0.63 -0.22 -0.00 0.00 0.00 178.83 179.30 1pd7 h LYS 40 N 0.00 0.00 -0.08 0.06 3.64 -1.13 0.51 116.57 119.56 1pd7 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pd7 h LYS 40 Cb 0.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1pd7 h LYS 40 CO 0.00 0.00 0.06 0.93 -2.27 0.00 0.00 179.45 178.17 1pd7 h GLU 41 N 0.00 0.10 0.00 1.90 4.39 -1.75 -3.36 114.58 115.85 1pd7 h GLU 41 Ca 0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1pd7 h GLU 41 Cb 1.66 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1pd7 h GLU 41 CO -0.00 0.06 0.00 1.04 -1.16 0.00 0.00 179.01 178.95 1pd7 n GLN 42 N -4.53 0.00 0.00 2.33 6.02 0.12 -4.93 117.38 116.39 1pd7 n GLN 42 Ca -0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1pd7 n GLN 42 Cb 0.09 -0.59 0.00 0.00 1.02 0.00 0.00 30.24 30.76 1pd7 n GLN 42 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pd7 n LEU 43 N -1.97 0.00 -0.92 1.08 4.77 -0.89 -1.67 117.00 117.40 1pd7 n LEU 43 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1pd7 n LEU 43 Cb 0.00 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 1pd7 n LEU 43 CO 0.00 0.00 0.69 0.00 -1.33 0.00 0.00 177.39 176.75 1pd7 n HIS 44 N 0.00 0.66 -4.41 -1.77 1.44 -1.26 -4.90 115.22 104.99 1pd7 n HIS 44 Ca 0.00 -0.33 -0.31 0.00 -2.01 0.00 0.00 57.72 55.07 1pd7 n HIS 44 Cb 0.00 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.00 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1pd7 s THR 45 N -1.34 3.41 0.37 0.61 -4.23 -0.67 -5.13 115.64 108.66 1pd7 s THR 45 Ca 0.33 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 59.90 1pd7 s THR 45 Cb 0.17 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 1pd7 s THR 45 CO 0.23 0.28 0.03 -0.54 -0.54 0.00 0.00 174.62 174.08 1pd7 s LYS 46 N -1.73 2.05 0.00 3.99 -0.14 -1.26 -4.84 119.74 117.81 1pd7 s LYS 46 Ca 0.18 -1.87 0.00 0.00 -1.36 0.00 0.00 55.97 52.93 1pd7 s LYS 46 Cb -0.11 -1.85 0.00 0.00 -1.68 0.00 0.00 37.83 34.19 1pd7 s LYS 46 CO 0.10 0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 1pd7 n GLY 47 N -0.99 2.66 3.68 -3.33 0.00 -1.26 -5.00 105.19 100.96 1pd7 n GLY 47 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1pd7 n GLY 47 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pd7 n ARG 48 N -0.05 -0.06 -1.81 1.61 1.85 -1.26 -4.92 116.66 112.02 1pd7 n ARG 48 Ca 0.00 0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.49 1pd7 n ARG 48 Cb 0.00 -2.42 -0.03 0.00 -1.05 0.00 0.00 32.46 28.96 1pd7 n ARG 48 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1pd7 s PRO 49 N -4.30 4.16 -0.11 2.89 0.02 -1.26 -4.97 135.00 131.43 1pd7 s PRO 49 Ca 0.71 2.51 -0.24 0.00 0.02 0.00 0.00 61.00 64.00 1pd7 s PRO 49 Cb -0.27 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 1pd7 s PRO 49 CO 0.53 -0.69 0.75 -0.06 -0.33 0.00 0.00 177.00 177.20 1pd7 s PHE 50 N 1.13 3.51 0.00 6.54 0.08 -1.26 -4.93 117.98 123.06 1pd7 s PHE 50 Ca 0.73 1.24 0.00 0.00 0.12 0.00 0.00 56.93 59.02 1pd7 s PHE 50 Cb -0.47 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1pd7 s PHE 50 CO 0.32 -0.04 0.00 0.54 -0.10 0.00 0.00 175.22 175.94 1pd7 n ARG 51 N 4.34 0.00 -0.80 0.44 1.74 -1.26 -5.11 116.66 116.01 1pd7 n ARG 51 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1pd7 n ARG 51 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 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 2.15 0.73 7.00 -0.13 0.00 -1.26 -4.95 105.19 108.72 1pd7 n GLY 52 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.72 0.00 -3.96 1.61 0.00 -1.26 -2.84 117.12 109.95 1pd7 n MET 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1pd7 n MET 53 Cb 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.36 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 -4.00 4.87 0.48 3.17 0.01 -1.26 -5.01 113.70 111.96 1pd7 s SER 54 Ca 0.00 -0.22 0.16 0.00 1.31 0.00 0.00 55.95 57.20 1pd7 s SER 54 Cb 0.00 -1.85 1.15 0.00 0.21 0.00 0.00 66.02 65.54 1pd7 s SER 54 CO 0.00 0.03 2.06 -0.33 0.41 0.00 0.00 173.24 175.41 1pd7 h GLU 55 N 7.77 0.00 -0.68 12.44 5.08 -1.89 -0.02 114.58 137.27 1pd7 h GLU 55 Ca -0.37 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1pd7 h GLU 55 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1pd7 h GLU 55 CO 0.60 0.11 0.51 1.49 -1.00 0.00 0.00 179.01 180.72 1pd7 h GLU 56 N 0.00 0.00 0.02 2.33 4.81 -1.94 -3.20 114.58 116.59 1pd7 h GLU 56 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1pd7 h GLU 56 Cb 0.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1pd7 h GLU 56 CO 0.01 0.00 -1.27 1.05 -0.73 0.00 0.00 179.01 178.07 1pd7 h GLU 57 N 0.00 0.04 -0.03 1.92 4.11 -1.39 0.11 114.58 119.34 1pd7 h GLU 57 Ca 0.32 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.59 1pd7 h GLU 57 Cb 1.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1pd7 h GLU 57 CO -0.00 0.88 -0.43 -0.24 0.07 0.00 0.00 179.01 179.28 1pd7 h VAL 58 N 0.01 1.31 0.43 -1.06 3.04 -1.63 0.10 116.25 118.46 1pd7 h VAL 58 Ca -0.12 -1.51 -0.02 0.00 -1.01 0.00 0.00 66.70 64.04 1pd7 h VAL 58 Cb 1.87 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 1pd7 h VAL 58 CO 0.12 0.44 -0.21 0.15 -1.01 0.00 0.00 177.57 177.06 1pd7 h PHE 59 N 0.05 -0.54 -0.76 3.17 3.04 -1.60 -3.27 116.94 117.04 1pd7 h PHE 59 Ca 0.00 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.09 1pd7 h PHE 59 Cb 0.79 0.18 -0.10 0.00 2.56 0.00 0.00 35.95 39.38 1pd7 h PHE 59 CO 0.00 -0.21 0.30 0.00 -2.02 0.00 0.00 178.31 176.38 1pd7 h THR 60 N -0.93 0.63 0.14 4.41 1.03 -0.05 -1.28 112.91 116.86 1pd7 h THR 60 Ca -0.06 -0.15 -0.01 0.00 -0.01 0.00 0.00 66.41 66.19 1pd7 h THR 60 Cb 0.57 0.17 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1pd7 h THR 60 CO 0.10 0.08 -0.07 -0.33 -0.01 0.00 0.00 175.52 175.29 1pd7 h GLU 61 N 0.43 -0.18 -1.06 0.00 5.08 -1.17 -3.09 114.58 114.59 1pd7 h GLU 61 Ca 0.42 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 59.09 1pd7 h GLU 61 Cb 0.66 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1pd7 h GLU 61 CO -0.42 0.23 0.73 0.28 -1.00 0.00 0.00 179.01 178.83 1pd7 h VAL 62 N -0.65 0.49 0.00 3.13 2.07 -1.53 -0.61 116.25 119.15 1pd7 h VAL 62 Ca -0.02 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1pd7 h VAL 62 Cb 0.49 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1pd7 h VAL 62 CO 0.03 0.03 -0.38 0.00 0.02 0.00 0.00 177.57 177.27 1pd7 h ALA 63 N 1.52 1.26 0.00 1.67 0.00 -1.16 0.01 119.26 122.57 1pd7 h ALA 63 Ca 0.54 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1pd7 h ALA 63 Cb 1.83 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1pd7 h ALA 63 CO -0.12 0.47 -0.92 -2.95 0.00 0.00 0.00 179.25 175.73 1pd7 h ASN 64 N 0.00 0.00 -0.25 0.00 7.08 -1.14 -2.83 115.58 118.45 1pd7 h ASN 64 Ca -0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.14 1pd7 h ASN 64 Cb 0.72 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.95 1pd7 h ASN 64 CO 0.05 0.83 -0.13 -0.07 -2.08 0.00 0.00 177.43 176.04 1pd7 h LEU 65 N 0.00 0.54 -2.53 6.14 4.07 -1.38 -3.30 115.31 118.85 1pd7 h LEU 65 Ca -0.04 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1pd7 h LEU 65 Cb 1.67 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1pd7 h LEU 65 CO 0.10 0.84 0.00 0.49 -1.08 0.00 0.00 178.44 178.79 1pd7 n PHE 66 N -4.47 1.03 -1.63 1.13 3.01 -0.06 -5.01 117.46 111.46 1pd7 n PHE 66 Ca -0.04 -0.47 -0.49 0.00 1.01 0.00 0.00 57.45 57.46 1pd7 n PHE 66 Cb 0.35 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.69 1pd7 n PHE 66 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1pd7 n ARG 67 N 1.25 1.63 0.00 -1.08 1.85 -1.07 -1.01 116.66 118.23 1pd7 n ARG 67 Ca 0.22 0.59 0.00 0.00 -1.00 0.00 0.00 57.85 57.66 1pd7 n ARG 67 Cb 0.64 -2.30 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 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 3.03 2.86 3.22 2.89 0.00 -1.26 -4.96 105.19 110.98 1pd7 n GLY 68 Ca 0.18 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 3.81 0.22 1.61 6.02 -0.18 -4.78 117.38 124.07 1pd7 n GLN 69 Ca 0.00 -4.34 0.14 0.00 -0.01 0.00 0.00 57.00 52.79 1pd7 n GLN 69 Cb 0.00 -2.63 0.48 0.00 1.02 0.00 0.00 30.24 29.11 1pd7 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1pd7 h GLU 70 N 6.29 0.00 -0.36 -1.09 5.08 -1.93 -2.89 114.58 119.67 1pd7 h GLU 70 Ca 0.22 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1pd7 h GLU 70 Cb 0.78 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1pd7 h GLU 70 CO 1.18 0.00 0.27 0.22 -1.00 0.00 0.00 179.01 179.68 1pd7 h ASP 71 N 0.00 0.00 0.00 1.42 3.58 -1.97 -1.45 116.42 118.01 1pd7 h ASP 71 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1pd7 h ASP 71 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1pd7 h ASP 71 CO 0.00 0.00 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.29 1pd7 h LEU 72 N 0.00 -0.00 -2.13 2.28 3.38 -1.91 -3.36 115.31 113.56 1pd7 h LEU 72 Ca 0.17 -0.89 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 1pd7 h LEU 72 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1pd7 h LEU 72 CO -0.00 0.91 -0.02 -0.07 0.09 0.00 0.00 178.44 179.35 1pd7 h LEU 73 N -0.95 0.00 -0.10 1.67 -0.00 -1.58 -1.72 115.31 112.64 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 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1pd7 h LEU 73 CO 0.00 0.02 0.01 0.77 -0.00 0.00 0.00 178.44 179.24 1pd7 h SER 74 N 0.00 0.17 1.33 -0.43 4.64 -1.43 -2.04 113.55 115.78 1pd7 h SER 74 Ca -0.00 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1pd7 h SER 74 Cb 0.29 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1pd7 h SER 74 CO 0.00 0.41 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.03 1pd7 h GLU 75 N -0.07 0.00 0.00 4.77 5.08 -1.59 -2.37 114.58 120.40 1pd7 h GLU 75 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.00 0.00 -0.16 0.35 -1.00 0.00 0.00 179.01 178.20 1pd7 h PHE 76 N 0.00 0.00 0.00 4.33 3.57 -1.13 -3.22 116.94 120.49 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 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1pd7 h PHE 76 CO 0.00 0.16 0.00 0.78 -2.23 0.00 0.00 178.31 177.02 1pd7 h GLY 77 N 1.73 0.00 0.91 2.40 0.00 -0.81 -3.27 103.07 104.04 1pd7 h GLY 77 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1pd7 h GLY 77 CO 0.02 0.00 0.21 1.46 0.00 0.00 0.00 176.54 178.23 1pd7 h GLN 78 N 0.00 0.41 0.00 4.80 4.20 -1.70 -2.87 115.11 119.95 1pd7 h GLN 78 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1pd7 h GLN 78 Cb 0.39 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1pd7 h GLN 78 CO 0.00 0.27 -0.00 0.35 -0.67 0.00 0.00 178.83 178.78 1pd7 h PHE 79 N 0.42 -0.01 -4.01 2.96 3.57 -1.85 -3.48 116.94 114.55 1pd7 h PHE 79 Ca 0.14 -0.00 -0.47 0.00 3.53 0.00 0.00 57.97 61.17 1pd7 h PHE 79 Cb 0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1pd7 h PHE 79 CO -0.08 0.68 0.28 -0.51 -2.23 0.00 0.00 178.31 176.45 1pd7 s LEU 80 N -8.84 3.80 -0.48 0.59 1.43 -1.08 -4.96 118.68 109.14 1pd7 s LEU 80 Ca -0.17 1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 54.13 1pd7 s LEU 80 Cb -0.00 -4.37 -0.00 0.00 0.03 0.00 0.00 46.19 41.85 1pd7 s LEU 80 CO 0.67 -0.45 1.58 -2.16 0.23 0.00 0.00 176.35 176.23 1pd7 s PRO 81 N -3.67 3.25 0.00 1.29 0.04 -1.26 -4.75 135.00 129.91 1pd7 s PRO 81 Ca 0.58 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1pd7 s PRO 81 Cb -0.10 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1pd7 s PRO 81 CO 0.25 -1.97 0.02 0.39 0.04 0.00 0.00 177.00 175.72 1pd7 n GLU 82 N 8.56 0.00 0.00 4.56 1.02 -1.26 -5.00 120.64 128.52 1pd7 n GLU 82 Ca 0.17 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1pd7 n GLU 82 Cb 0.49 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1pd7 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pd7 n ALA 83 N -1.90 0.42 -2.79 0.62 0.00 -1.26 -5.04 120.51 110.56 1pd7 n ALA 83 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1pd7 n ALA 83 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.51 0.66 -0.35 0.00 4.81 -1.26 -5.31 118.16 116.21 1pd7 n LYS 84 Ca 0.00 -1.95 0.00 0.00 -0.87 0.00 0.00 58.31 55.49 1pd7 n LYS 84 Cb 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1pd7 n LYS 84 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44