#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 -0.51 0.00 4.31 1.04 -1.26 -4.96 113.70 112.32 1pd7 s SER 2 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1pd7 s SER 2 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1pd7 s SER 2 CO 0.00 -0.87 0.00 -0.67 0.98 0.00 0.00 173.24 172.68 1pd7 n ASP 3 N -0.33 0.00 -4.36 7.02 2.03 -1.26 -4.84 116.55 114.82 1pd7 n ASP 3 Ca -0.15 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.73 1pd7 n ASP 3 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 1.42 4.90 -0.03 1.67 7.64 -1.26 -4.73 113.62 123.22 1pd7 n SER 4 Ca 0.00 -2.95 -0.14 0.00 1.01 0.00 0.00 58.87 56.80 1pd7 n SER 4 Cb 0.00 -1.66 -0.09 0.00 -1.01 0.00 0.00 64.21 61.45 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 4.89 1.43 0.00 0.44 2.07 -1.99 -2.95 116.25 120.14 1pd7 h VAL 5 Ca 0.42 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1pd7 h VAL 5 Cb 0.82 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1pd7 h VAL 5 CO 1.47 0.42 0.00 -0.33 0.02 0.00 0.00 177.57 179.14 1pd7 h GLU 6 N -0.33 0.00 -0.14 1.57 5.08 -1.99 -0.02 114.58 118.75 1pd7 h GLU 6 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1pd7 h GLU 6 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1pd7 h GLU 6 CO 0.03 0.00 0.02 0.35 -1.00 0.00 0.00 179.01 178.41 1pd7 h PHE 7 N 0.00 0.25 -0.35 4.33 3.57 -1.94 -2.96 116.94 119.84 1pd7 h PHE 7 Ca 0.00 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1pd7 h PHE 7 Cb 0.88 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1pd7 h PHE 7 CO 0.00 0.42 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.41 1pd7 h ASN 8 N 0.01 0.64 0.06 0.41 2.35 -1.11 0.15 115.58 118.09 1pd7 h ASN 8 Ca 0.04 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.47 1pd7 h ASN 8 Cb 0.31 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1pd7 h ASN 8 CO 0.00 0.82 -0.39 -0.55 -1.65 0.00 0.00 177.43 175.67 1pd7 h ASN 9 N 0.57 0.45 -0.19 5.81 7.08 -1.14 -0.35 115.58 127.82 1pd7 h ASN 9 Ca 0.09 -0.19 -0.13 0.00 -3.08 0.00 0.00 56.30 52.99 1pd7 h ASN 9 Cb 0.63 -0.13 -0.01 0.00 -2.08 0.00 0.00 38.32 36.73 1pd7 h ASN 9 CO 0.04 0.80 -0.32 0.00 -2.08 0.00 0.00 177.43 175.87 1pd7 h ALA 10 N 1.22 0.83 0.17 4.14 0.00 -1.21 -3.05 119.26 121.36 1pd7 h ALA 10 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1pd7 h ALA 10 Cb 0.85 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pd7 h ALA 10 CO 0.07 0.64 -0.10 0.82 0.00 0.00 0.00 179.25 180.68 1pd7 h ILE 11 N 0.59 0.78 -0.47 0.00 1.08 -0.28 -2.61 117.51 116.59 1pd7 h ILE 11 Ca 0.07 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.64 1pd7 h ILE 11 Cb 0.84 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1pd7 h ILE 11 CO 0.07 0.00 0.33 0.28 -0.69 0.00 0.00 178.15 178.14 1pd7 h SER 12 N -0.27 0.16 0.39 1.72 0.02 -1.09 0.46 113.55 114.94 1pd7 h SER 12 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1pd7 h SER 12 Cb 0.22 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1pd7 h SER 12 CO 0.02 0.10 -0.19 0.22 -1.14 0.00 0.00 176.83 175.84 1pd7 h TYR 13 N 0.18 -0.48 -0.93 3.45 3.20 -1.39 -2.07 116.97 118.93 1pd7 h TYR 13 Ca 0.22 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1pd7 h TYR 13 Cb 0.64 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1pd7 h TYR 13 CO -0.00 -0.16 0.61 0.28 -1.64 0.00 0.00 178.16 177.25 1pd7 h VAL 14 N -0.91 1.14 -0.53 1.81 2.07 -1.00 -1.54 116.25 117.28 1pd7 h VAL 14 Ca -0.05 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1pd7 h VAL 14 Cb 0.55 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1pd7 h VAL 14 CO 0.09 0.21 0.34 -1.13 0.02 0.00 0.00 177.57 177.09 1pd7 h ASN 15 N 1.14 0.62 -0.84 0.57 -0.00 -0.17 0.19 115.58 117.09 1pd7 h ASN 15 Ca 0.37 -0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.62 1pd7 h ASN 15 Cb 0.05 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 38.18 1pd7 h ASN 15 CO -0.12 0.46 0.44 0.50 -0.00 0.00 0.00 177.43 178.72 1pd7 h LYS 16 N 0.71 1.18 0.07 6.67 3.64 -0.82 0.16 116.57 128.18 1pd7 h LYS 16 Ca 0.19 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1pd7 h LYS 16 Cb -0.06 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1pd7 h LYS 16 CO -0.04 0.88 -0.12 0.82 -2.27 0.00 0.00 179.45 178.71 1pd7 h ILE 17 N 1.17 0.71 -0.69 2.00 2.04 -1.00 -0.84 117.51 120.89 1pd7 h ILE 17 Ca 0.29 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 1pd7 h ILE 17 Cb 0.05 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1pd7 h ILE 17 CO -0.04 0.00 0.41 0.07 0.00 0.00 0.00 178.15 178.58 1pd7 h LYS 18 N -0.25 0.93 -0.33 2.37 2.10 -0.42 -0.40 116.57 120.57 1pd7 h LYS 18 Ca 0.02 -0.08 -0.16 0.00 -2.00 0.00 0.00 60.65 58.43 1pd7 h LYS 18 Cb 0.26 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 1pd7 h LYS 18 CO -0.07 0.66 -0.43 1.15 -2.00 0.00 0.00 179.45 178.76 1pd7 h THR 19 N 0.95 1.28 0.02 0.07 2.02 -0.66 -3.28 112.91 113.31 1pd7 h THR 19 Ca 0.25 -1.61 -0.25 0.00 0.77 0.00 0.00 66.41 65.57 1pd7 h THR 19 Cb -0.03 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1pd7 h THR 19 CO -0.05 0.53 -1.33 0.03 0.37 0.00 0.00 175.52 175.07 1pd7 h ARG 20 N 0.68 0.04 -1.68 6.66 2.47 -0.96 -3.34 114.38 118.26 1pd7 h ARG 20 Ca 0.05 -0.07 -0.39 0.00 -1.26 0.00 0.00 59.98 58.32 1pd7 h ARG 20 Cb 1.01 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 29.20 1pd7 h ARG 20 CO 0.10 0.84 0.40 1.19 0.56 0.00 0.00 179.97 183.06 1pd7 n PHE 21 N -3.26 1.56 0.07 3.04 3.72 -0.18 -4.19 117.46 118.22 1pd7 n PHE 21 Ca -0.08 -1.97 -0.17 0.00 -0.05 0.00 0.00 57.45 55.18 1pd7 n PHE 21 Cb 1.00 -1.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.34 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 3.03 0.68 -1.24 4.37 3.38 -1.69 -2.96 115.31 120.88 1pd7 h LEU 22 Ca 0.33 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1pd7 h LEU 22 Cb 0.86 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1pd7 h LEU 22 CO 0.80 1.37 0.00 0.44 0.09 0.00 0.00 178.44 181.14 1pd7 h ASP 23 N 0.27 0.00 -2.04 -0.43 3.32 -1.91 -3.36 116.42 112.28 1pd7 h ASP 23 Ca -0.11 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.38 1pd7 h ASP 23 Cb 1.68 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.83 1pd7 h ASP 23 CO 0.19 0.00 -1.01 1.41 -1.72 0.00 0.00 179.24 178.11 1pd7 n HIS 24 N -2.68 0.51 1.40 4.55 8.25 -1.12 -4.94 115.22 121.19 1pd7 n HIS 24 Ca 0.01 -3.70 0.12 0.00 -0.26 0.00 0.00 57.72 53.89 1pd7 n HIS 24 Cb 0.24 -0.40 0.67 0.00 1.12 0.00 0.00 29.99 31.63 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 1.22 0.67 -0.01 -0.41 -0.04 -1.19 -2.43 135.00 132.82 1pd7 n PRO 25 Ca 0.23 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1pd7 n PRO 25 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 1pd7 n PRO 25 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pd7 h GLU 26 N 0.00 0.54 -0.48 0.54 4.39 -1.92 -3.23 114.58 114.43 1pd7 h GLU 26 Ca 0.00 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.42 1pd7 h GLU 26 Cb 0.03 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1pd7 h GLU 26 CO 0.00 0.71 -0.09 0.82 -1.16 0.00 0.00 179.01 179.29 1pd7 h ILE 27 N 0.49 1.26 -0.11 3.13 1.08 -1.83 -2.95 117.51 118.57 1pd7 h ILE 27 Ca 0.08 -1.18 0.03 0.00 -0.39 0.00 0.00 64.86 63.40 1pd7 h ILE 27 Cb 0.61 0.99 -0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1pd7 h ILE 27 CO 0.04 0.41 0.09 0.22 -0.69 0.00 0.00 178.15 178.22 1pd7 h TYR 28 N 0.77 0.00 0.27 1.37 3.20 -1.77 -0.45 116.97 120.36 1pd7 h TYR 28 Ca 0.13 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1pd7 h TYR 28 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1pd7 h TYR 28 CO 0.03 0.00 -0.13 0.00 -1.64 0.00 0.00 178.16 176.43 1pd7 h ARG 29 N 0.00 -0.34 0.00 1.82 2.47 -1.70 -3.38 114.38 113.25 1pd7 h ARG 29 Ca 0.05 0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.67 1pd7 h ARG 29 Cb 0.22 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1pd7 h ARG 29 CO -0.00 -0.13 -0.62 0.77 0.56 0.00 0.00 179.97 180.55 1pd7 h SER 30 N -1.06 0.00 -0.17 7.04 0.02 -1.39 -3.06 113.55 114.94 1pd7 h SER 30 Ca -0.04 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1pd7 h SER 30 Cb 0.37 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1pd7 h SER 30 CO 0.06 0.62 -0.26 0.15 -1.14 0.00 0.00 176.83 176.26 1pd7 h PHE 31 N 0.00 -0.69 -0.17 3.45 3.57 -1.31 -3.02 116.94 118.76 1pd7 h PHE 31 Ca -0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1pd7 h PHE 31 Cb 1.13 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1pd7 h PHE 31 CO 0.00 -0.34 -0.52 -0.07 -2.23 0.00 0.00 178.31 175.15 1pd7 h LEU 32 N -0.31 0.52 -0.79 0.59 3.38 -1.71 -3.00 115.31 113.98 1pd7 h LEU 32 Ca 0.11 -0.27 0.18 0.00 0.09 0.00 0.00 57.88 58.00 1pd7 h LEU 32 Cb 0.48 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 1pd7 h LEU 32 CO -0.35 0.94 0.25 -0.08 0.09 0.00 0.00 178.44 179.29 1pd7 h GLU 33 N 0.37 0.31 -0.16 1.13 4.81 -1.46 0.20 114.58 119.77 1pd7 h GLU 33 Ca 0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1pd7 h GLU 33 Cb 1.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1pd7 h GLU 33 CO 0.09 0.20 0.04 0.82 -0.73 0.00 0.00 179.01 179.44 1pd7 h ILE 34 N 0.32 1.20 0.00 2.32 2.04 -1.41 -3.01 117.51 118.97 1pd7 h ILE 34 Ca 0.46 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1pd7 h ILE 34 Cb 0.82 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1pd7 h ILE 34 CO -0.52 0.19 -0.02 -0.07 0.00 0.00 0.00 178.15 177.74 1pd7 h LEU 35 N 0.07 0.00 -0.82 1.44 3.38 -1.15 -2.31 115.31 115.92 1pd7 h LEU 35 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1pd7 h LEU 35 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1pd7 h LEU 35 CO 0.00 0.02 -0.57 0.45 0.09 0.00 0.00 178.44 178.43 1pd7 h HIS 36 N 0.00 0.00 -0.05 1.13 3.86 -0.52 -1.66 115.15 117.91 1pd7 h HIS 36 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pd7 h HIS 36 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1pd7 h HIS 36 CO 0.00 0.57 0.02 1.15 0.86 0.00 0.00 177.93 180.53 1pd7 h THR 37 N 0.00 1.02 0.34 2.45 2.02 -1.34 -0.75 112.91 116.66 1pd7 h THR 37 Ca -0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1pd7 h THR 37 Cb 1.04 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1pd7 h THR 37 CO 0.07 0.03 -0.17 0.22 0.37 0.00 0.00 175.52 176.05 1pd7 h TYR 38 N 0.07 -0.43 0.00 3.16 5.03 -1.53 -3.39 116.97 119.88 1pd7 h TYR 38 Ca 0.02 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1pd7 h TYR 38 Cb 0.02 0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1pd7 h TYR 38 CO 0.00 -0.27 0.00 -0.56 -1.32 0.00 0.00 178.16 176.01 1pd7 h GLN 39 N -0.98 0.00 -0.93 1.82 3.07 -1.04 -3.16 115.11 113.89 1pd7 h GLN 39 Ca -0.05 0.00 0.21 0.00 0.09 0.00 0.00 58.65 58.90 1pd7 h GLN 39 Cb 0.35 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.84 1pd7 h GLN 39 CO 0.08 0.00 0.61 -0.22 0.09 0.00 0.00 178.83 179.39 1pd7 h LYS 40 N 0.00 0.44 0.00 0.06 1.63 -1.34 -0.64 116.57 116.72 1pd7 h LYS 40 Ca 0.00 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1pd7 h LYS 40 Cb 0.53 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1pd7 h LYS 40 CO 0.00 0.29 -0.20 0.93 -3.45 0.00 0.00 179.45 177.02 1pd7 h GLU 41 N 0.45 0.00 0.00 1.90 4.39 -1.80 -3.39 114.58 116.13 1pd7 h GLU 41 Ca 0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1pd7 h GLU 41 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1pd7 h GLU 41 CO -0.21 0.20 -0.74 1.04 -1.16 0.00 0.00 179.01 178.14 1pd7 n GLN 42 N -3.22 0.46 0.00 2.33 6.02 -0.34 -4.70 117.38 117.94 1pd7 n GLN 42 Ca 0.02 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1pd7 n GLN 42 Cb 0.52 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 -4.38 0.00 -2.79 1.08 4.77 -0.65 -1.15 117.00 113.89 1pd7 n LEU 43 Ca -0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.53 1pd7 n LEU 43 Cb 0.38 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1pd7 n LEU 43 CO 0.15 0.00 1.02 1.41 -1.33 0.00 0.00 177.39 178.65 1pd7 n HIS 44 N 14.00 3.16 -3.08 -1.77 8.25 -1.26 -4.91 115.22 129.60 1pd7 n HIS 44 Ca 0.00 -2.65 -0.11 0.00 -0.26 0.00 0.00 57.72 54.69 1pd7 n HIS 44 Cb 0.00 -0.77 0.01 0.00 1.12 0.00 0.00 29.99 30.35 1pd7 n HIS 44 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1pd7 n THR 45 N -0.49 -9.24 0.04 1.59 -2.24 -0.30 -4.96 114.28 98.68 1pd7 n THR 45 Ca 0.48 0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 62.49 1pd7 n THR 45 Cb 0.39 -6.34 -0.05 0.00 -2.10 0.00 0.00 70.33 62.23 1pd7 n THR 45 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1pd7 h LYS 46 N 1.39 0.54 0.00 -0.78 3.11 -1.84 -3.44 116.57 115.55 1pd7 h LYS 46 Ca -0.13 -0.53 0.00 0.00 -2.81 0.00 0.00 60.65 57.18 1pd7 h LYS 46 Cb 1.09 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 1pd7 h LYS 46 CO 0.25 1.16 -0.05 0.41 -2.81 0.00 0.00 179.45 178.40 1pd7 n GLY 47 N 0.87 -0.20 3.59 5.01 0.00 -1.26 -5.12 105.19 108.08 1pd7 n GLY 47 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.42 0.42 1.61 1.70 -1.26 -5.12 118.95 116.72 1pd7 s ARG 48 Ca 0.00 -0.83 -0.24 0.00 -0.47 0.00 0.00 55.73 54.19 1pd7 s ARG 48 Cb 0.00 -2.44 -0.08 0.00 -0.57 0.00 0.00 34.95 31.86 1pd7 s ARG 48 CO 0.00 0.57 1.13 -2.14 -1.08 0.00 0.00 175.30 173.78 1pd7 s PRO 49 N -1.71 4.00 5.65 3.89 0.02 -1.26 -4.63 135.00 140.96 1pd7 s PRO 49 Ca 0.19 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1pd7 s PRO 49 Cb -0.11 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.86 1pd7 s PRO 49 CO 0.10 -0.33 0.00 0.34 -0.33 0.00 0.00 177.00 176.78 1pd7 n PHE 50 N -0.14 0.00 -2.18 6.54 7.35 -1.26 -5.02 117.46 122.75 1pd7 n PHE 50 Ca 0.05 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.72 1pd7 n PHE 50 Cb 0.48 0.04 -0.02 0.00 0.35 0.00 0.00 39.48 40.33 1pd7 n PHE 50 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pd7 n ARG 51 N 14.00 -2.60 -3.71 -4.13 5.12 -1.26 -4.49 116.66 119.59 1pd7 n ARG 51 Ca 0.00 2.18 -0.28 0.00 -1.93 0.00 0.00 57.85 57.82 1pd7 n ARG 51 Cb 0.00 -3.53 -0.12 0.00 -1.16 0.00 0.00 32.46 27.65 1pd7 n ARG 51 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1pd7 s GLY 52 N -0.59 2.16 0.00 -0.13 0.00 -1.26 -4.67 107.32 102.83 1pd7 s GLY 52 Ca -0.12 -3.16 0.00 0.00 0.00 0.00 0.00 44.72 41.43 1pd7 s GLY 52 CO 0.48 1.48 0.00 1.15 0.00 0.00 0.00 173.10 176.21 1pd7 n MET 53 N 2.58 0.00 -3.83 2.90 0.00 -1.26 -3.58 117.12 113.93 1pd7 n MET 53 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.54 1pd7 n MET 53 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.49 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 -1.93 5.27 0.53 3.17 0.01 -1.26 -4.99 113.70 114.49 1pd7 s SER 54 Ca 0.00 -0.14 0.18 0.00 1.31 0.00 0.00 55.95 57.31 1pd7 s SER 54 Cb 0.00 -1.94 1.33 0.00 0.21 0.00 0.00 66.02 65.62 1pd7 s SER 54 CO 0.00 0.01 2.14 -0.33 0.41 0.00 0.00 173.24 175.47 1pd7 h GLU 55 N 7.89 0.00 0.00 12.44 3.07 -2.02 -1.15 114.58 134.80 1pd7 h GLU 55 Ca -0.37 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1pd7 h GLU 55 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1pd7 h GLU 55 CO 0.60 0.00 -0.02 0.93 -1.40 0.00 0.00 179.01 179.12 1pd7 h GLU 56 N 0.00 0.00 0.12 2.33 5.08 -1.94 -2.98 114.58 117.19 1pd7 h GLU 56 Ca 0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.08 1pd7 h GLU 56 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1pd7 h GLU 56 CO -0.00 0.02 -1.49 1.05 -1.00 0.00 0.00 179.01 177.59 1pd7 h GLU 57 N 0.00 0.26 -0.11 2.33 4.11 -1.62 0.17 114.58 119.72 1pd7 h GLU 57 Ca -0.00 -0.45 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 1pd7 h GLU 57 Cb 0.03 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1pd7 h GLU 57 CO 0.00 1.14 -0.45 -0.24 0.07 0.00 0.00 179.01 179.53 1pd7 h VAL 58 N 0.07 1.32 0.28 -1.06 3.04 -1.59 -1.96 116.25 116.36 1pd7 h VAL 58 Ca -0.23 -1.62 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 1pd7 h VAL 58 Cb 2.01 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 33.03 1pd7 h VAL 58 CO 0.17 0.49 -0.14 0.15 -1.01 0.00 0.00 177.57 177.23 1pd7 h PHE 59 N 0.22 -0.35 -0.85 3.17 3.04 -1.55 -3.24 116.94 117.38 1pd7 h PHE 59 Ca 0.02 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.14 1pd7 h PHE 59 Cb 0.88 0.12 -0.11 0.00 2.56 0.00 0.00 35.95 39.40 1pd7 h PHE 59 CO 0.02 -0.10 0.38 0.00 -2.02 0.00 0.00 178.31 176.58 1pd7 h THR 60 N -0.55 0.58 0.08 4.41 1.03 0.08 -0.48 112.91 118.06 1pd7 h THR 60 Ca -0.04 -0.16 -0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1pd7 h THR 60 Cb 0.40 0.07 0.00 0.00 -1.07 0.00 0.00 68.15 67.56 1pd7 h THR 60 CO 0.06 0.08 -0.04 -0.33 -0.01 0.00 0.00 175.52 175.29 1pd7 h GLU 61 N 0.47 -0.10 -0.87 0.00 4.39 -1.58 -3.27 114.58 113.62 1pd7 h GLU 61 Ca 0.50 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.44 1pd7 h GLU 61 Cb 0.85 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 1pd7 h GLU 61 CO -0.46 0.43 0.61 0.28 -1.16 0.00 0.00 179.01 178.70 1pd7 h VAL 62 N -0.71 0.61 0.00 3.13 2.07 -1.47 -0.16 116.25 119.72 1pd7 h VAL 62 Ca -0.01 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1pd7 h VAL 62 Cb 0.57 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1pd7 h VAL 62 CO 0.02 0.03 -0.08 0.00 0.02 0.00 0.00 177.57 177.56 1pd7 h ALA 63 N 1.59 1.04 -0.06 1.67 0.00 -1.15 -2.00 119.26 120.35 1pd7 h ALA 63 Ca 0.43 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 1pd7 h ALA 63 Cb 1.47 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1pd7 h ALA 63 CO -0.07 0.10 -0.82 -0.91 0.00 0.00 0.00 179.25 177.54 1pd7 h ASN 64 N 0.00 0.83 -0.53 0.00 2.35 -1.10 -3.29 115.58 113.85 1pd7 h ASN 64 Ca -0.00 -0.69 -0.06 0.00 -0.55 0.00 0.00 56.30 55.00 1pd7 h ASN 64 Cb 0.53 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1pd7 h ASN 64 CO 0.01 1.41 0.10 -0.07 -1.65 0.00 0.00 177.43 177.23 1pd7 h LEU 65 N 0.33 0.82 -1.57 1.61 4.07 -1.41 -3.21 115.31 115.94 1pd7 h LEU 65 Ca -0.09 -0.25 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1pd7 h LEU 65 Cb 1.48 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1pd7 h LEU 65 CO 0.17 0.86 0.00 0.49 -1.08 0.00 0.00 178.44 178.88 1pd7 n PHE 66 N -4.40 0.00 -1.61 1.13 3.01 -0.90 -5.03 117.46 109.66 1pd7 n PHE 66 Ca 0.02 -0.00 -0.48 0.00 1.01 0.00 0.00 57.45 58.00 1pd7 n PHE 66 Cb 0.25 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.91 1.49 0.00 -1.08 -4.01 -1.22 -2.63 116.66 110.13 1pd7 n ARG 67 Ca 0.16 0.53 0.00 0.00 -1.04 0.00 0.00 57.85 57.50 1pd7 n ARG 67 Cb 0.51 -2.12 0.00 0.00 -3.04 0.00 0.00 32.46 27.81 1pd7 n ARG 67 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pd7 n GLY 68 N 2.25 3.30 3.51 2.89 0.00 -1.26 -5.03 105.19 110.85 1pd7 n GLY 68 Ca 0.15 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 3.19 0.23 1.61 -0.21 -1.08 -4.86 119.66 118.54 1pd7 s GLN 69 Ca 0.00 -0.56 0.08 0.00 0.02 0.00 0.00 55.36 54.90 1pd7 s GLN 69 Cb 0.00 -4.27 0.21 0.00 1.00 0.00 0.00 33.01 29.95 1pd7 s GLN 69 CO 0.00 -2.01 1.53 1.05 -2.12 0.00 0.00 175.29 173.74 1pd7 h GLU 70 N 9.80 0.05 -0.95 2.91 4.11 -1.96 -3.33 114.58 125.21 1pd7 h GLU 70 Ca -0.25 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.29 1pd7 h GLU 70 Cb 1.06 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1pd7 h GLU 70 CO 1.24 0.73 0.60 0.38 0.07 0.00 0.00 179.01 182.04 1pd7 h ASP 71 N 0.04 0.75 0.24 3.06 2.03 -1.98 0.64 116.42 121.20 1pd7 h ASP 71 Ca -0.01 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.33 1pd7 h ASP 71 Cb 1.25 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1pd7 h ASP 71 CO 0.10 0.36 -0.12 -0.07 -1.03 0.00 0.00 179.24 178.48 1pd7 h LEU 72 N 0.78 -0.28 -1.89 0.15 3.38 -1.98 -2.39 115.31 113.08 1pd7 h LEU 72 Ca 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1pd7 h LEU 72 Cb 0.72 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pd7 h LEU 72 CO -0.26 0.04 -0.05 -0.07 0.09 0.00 0.00 178.44 178.19 1pd7 h LEU 73 N -0.62 0.00 -0.14 1.67 -0.00 -1.55 0.85 115.31 115.52 1pd7 h LEU 73 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.78 1pd7 h LEU 73 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1pd7 h LEU 73 CO 0.06 0.05 -0.15 -1.28 -0.00 0.00 0.00 178.44 177.11 1pd7 h SER 74 N 0.00 0.38 1.20 -0.43 0.87 -0.87 -2.82 113.55 111.87 1pd7 h SER 74 Ca -0.00 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 1pd7 h SER 74 Cb 0.37 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1pd7 h SER 74 CO 0.01 0.79 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.84 1pd7 h GLU 75 N -0.03 0.00 0.00 2.24 4.81 -0.88 -2.27 114.58 118.45 1pd7 h GLU 75 Ca 0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1pd7 h GLU 75 Cb 0.69 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1pd7 h GLU 75 CO 0.04 0.18 -0.07 0.35 -0.73 0.00 0.00 179.01 178.77 1pd7 h PHE 76 N 0.00 0.00 0.00 0.92 3.57 -0.78 -2.99 116.94 117.67 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 0.83 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1pd7 h PHE 76 CO 0.00 0.07 0.00 0.78 -2.23 0.00 0.00 178.31 176.93 1pd7 h GLY 77 N 0.84 0.00 1.32 2.40 0.00 -1.15 -3.23 103.07 103.26 1pd7 h GLY 77 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1pd7 h GLY 77 CO 0.01 0.00 0.19 0.06 0.00 0.00 0.00 176.54 176.80 1pd7 h GLN 78 N 0.00 0.86 0.09 4.80 3.07 -1.70 -2.86 115.11 119.38 1pd7 h GLN 78 Ca 0.00 -0.16 -0.21 0.00 0.09 0.00 0.00 58.65 58.37 1pd7 h GLN 78 Cb 0.16 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.57 1pd7 h GLN 78 CO 0.00 0.74 -1.06 0.35 0.09 0.00 0.00 178.83 178.95 1pd7 h PHE 79 N 0.84 0.36 -4.38 0.06 3.57 -1.85 -3.49 116.94 112.05 1pd7 h PHE 79 Ca 0.19 -0.26 -0.48 0.00 3.53 0.00 0.00 57.97 60.95 1pd7 h PHE 79 Cb 0.23 -0.01 0.11 0.00 2.79 0.00 0.00 35.95 39.07 1pd7 h PHE 79 CO 0.01 1.41 0.36 -0.51 -2.23 0.00 0.00 178.31 177.36 1pd7 s LEU 80 N -7.75 2.53 0.30 0.59 1.43 -1.08 -5.00 118.68 109.69 1pd7 s LEU 80 Ca -0.19 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 1pd7 s LEU 80 Cb 0.03 -3.67 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 1pd7 s LEU 80 CO 0.75 -1.93 1.31 -2.84 0.23 0.00 0.00 176.35 173.87 1pd7 s PRO 81 N -5.31 4.37 -0.06 1.29 0.02 -1.26 -4.79 135.00 129.26 1pd7 s PRO 81 Ca 0.61 2.18 -0.22 0.00 0.02 0.00 0.00 61.00 63.59 1pd7 s PRO 81 Cb -0.13 -3.10 -0.17 0.00 0.02 0.00 0.00 34.50 31.12 1pd7 s PRO 81 CO 0.52 -0.20 0.88 0.93 -0.33 0.00 0.00 177.00 178.80 1pd7 h GLU 82 N 3.89 -0.14 0.00 5.54 5.08 -1.85 -3.47 114.58 123.63 1pd7 h GLU 82 Ca -0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1pd7 h GLU 82 Cb 1.22 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pd7 h GLU 82 CO 0.69 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 179.05 1pd7 n ALA 83 N -2.55 1.10 -2.84 3.43 0.00 -1.26 -5.04 120.51 113.36 1pd7 n ALA 83 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1pd7 n ALA 83 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.74 1pd7 n ALA 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1pd7 s LYS 84 N -2.00 0.80 0.00 0.00 -2.85 -1.26 -5.21 119.74 109.21 1pd7 s LYS 84 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1pd7 s LYS 84 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 1pd7 s LYS 84 CO 0.00 -1.02 0.00 0.54 0.10 0.00 0.00 175.35 174.97