#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f05 n SER 2 N 0.00 1.75 -4.14 4.31 7.64 -1.26 -4.88 113.62 117.04 2f05 n SER 2 Ca 0.00 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.78 2f05 n SER 2 Cb 0.00 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.41 2f05 n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2f05 s ASP 3 N -7.02 4.81 -0.77 6.43 1.01 -1.26 -4.98 116.67 114.90 2f05 s ASP 3 Ca -0.33 -1.40 -0.02 0.00 0.71 0.00 0.00 52.55 51.51 2f05 s ASP 3 Cb 0.12 -1.68 0.39 0.00 1.01 0.00 0.00 42.92 42.76 2f05 s ASP 3 CO 0.43 -0.27 2.02 -1.20 0.21 0.00 0.00 175.17 176.36 2f05 n SER 4 N 4.56 7.58 0.01 0.27 7.64 -1.26 -4.60 113.62 127.82 2f05 n SER 4 Ca -0.12 -3.82 -0.18 0.00 1.01 0.00 0.00 58.87 55.77 2f05 n SER 4 Cb 0.43 -1.02 -0.11 0.00 -1.01 0.00 0.00 64.21 62.50 2f05 n SER 4 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2f05 h VAL 5 N 1.58 1.39 -0.14 0.44 2.07 -1.98 0.40 116.25 120.02 2f05 h VAL 5 Ca 0.58 -2.12 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 2f05 h VAL 5 Cb 0.38 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2f05 h VAL 5 CO 1.50 0.63 -0.21 -0.33 0.02 0.00 0.00 177.57 179.17 2f05 h GLU 6 N 0.01 0.23 -0.12 1.57 4.39 -2.00 -1.39 114.58 117.27 2f05 h GLU 6 Ca -0.09 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 2f05 h GLU 6 Cb 1.40 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2f05 h GLU 6 CO 0.14 0.44 -0.17 0.35 -1.16 0.00 0.00 179.01 178.61 2f05 h PHE 7 N 0.22 0.41 -0.98 4.33 3.57 -1.83 -1.82 116.94 120.83 2f05 h PHE 7 Ca 0.04 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.49 2f05 h PHE 7 Cb 0.50 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2f05 h PHE 7 CO 0.01 0.78 0.63 -0.91 -2.23 0.00 0.00 178.31 176.58 2f05 h ASN 8 N -0.08 0.95 -0.67 0.41 2.35 0.30 0.43 115.58 119.26 2f05 h ASN 8 Ca 0.01 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 2f05 h ASN 8 Cb 0.73 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 2f05 h ASN 8 CO 0.04 0.56 0.23 0.78 -1.65 0.00 0.00 177.43 177.39 2f05 h ASN 9 N 1.05 0.96 0.07 5.81 2.35 -1.16 -2.38 115.58 122.27 2f05 h ASN 9 Ca 0.45 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 2f05 h ASN 9 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2f05 h ASN 9 CO -0.21 0.90 -0.29 0.00 -1.65 0.00 0.00 177.43 176.19 2f05 h ALA 10 N 1.10 1.18 -0.53 -0.83 0.00 -0.13 -2.91 119.26 117.14 2f05 h ALA 10 Ca 0.22 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2f05 h ALA 10 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2f05 h ALA 10 CO -0.01 0.53 0.10 0.82 0.00 0.00 0.00 179.25 180.69 2f05 h ILE 11 N 0.30 1.23 -0.45 0.00 1.08 0.24 -0.75 117.51 119.16 2f05 h ILE 11 Ca 0.04 -0.86 0.06 0.00 -0.39 0.00 0.00 64.86 63.71 2f05 h ILE 11 Cb 0.67 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 2f05 h ILE 11 CO 0.05 0.32 0.16 0.28 -0.69 0.00 0.00 178.15 178.27 2f05 h SER 12 N 0.79 0.18 0.13 1.72 0.02 -1.25 0.61 113.55 115.75 2f05 h SER 12 Ca 0.17 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2f05 h SER 12 Cb 0.33 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2f05 h SER 12 CO 0.00 0.13 -0.06 0.22 -1.14 0.00 0.00 176.83 175.98 2f05 h TYR 13 N 0.34 -0.16 -0.62 3.45 3.20 -1.47 -2.50 116.97 119.20 2f05 h TYR 13 Ca 0.21 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 2f05 h TYR 13 Cb 0.20 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2f05 h TYR 13 CO -0.15 -0.06 0.21 0.28 -1.64 0.00 0.00 178.16 176.81 2f05 h VAL 14 N -0.22 1.24 -0.82 1.81 2.07 -0.56 -2.66 116.25 117.11 2f05 h VAL 14 Ca -0.02 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2f05 h VAL 14 Cb 0.18 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2f05 h VAL 14 CO 0.03 0.31 0.54 -1.13 0.02 0.00 0.00 177.57 177.34 2f05 h ASN 15 N 0.88 0.86 -0.62 0.57 -1.24 0.28 0.24 115.58 116.55 2f05 h ASN 15 Ca 0.20 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.14 2f05 h ASN 15 Cb 0.26 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 2f05 h ASN 15 CO -0.01 0.58 0.13 0.50 -1.29 0.00 0.00 177.43 177.34 2f05 h LYS 16 N 0.99 1.01 -0.27 6.67 3.64 -1.11 -1.41 116.57 126.09 2f05 h LYS 16 Ca 0.33 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2f05 h LYS 16 Cb 0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2f05 h LYS 16 CO -0.10 0.93 0.09 0.82 -2.27 0.00 0.00 179.45 178.92 2f05 h ILE 17 N 0.92 1.19 -0.57 2.00 2.04 -0.84 0.52 117.51 122.77 2f05 h ILE 17 Ca 0.19 -0.59 0.12 0.00 1.00 0.00 0.00 64.86 65.57 2f05 h ILE 17 Cb 0.39 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.46 2f05 h ILE 17 CO 0.01 0.20 -0.01 0.11 0.00 0.00 0.00 178.15 178.45 2f05 h LYS 18 N 0.27 0.10 -0.06 2.37 1.57 -0.10 0.72 116.57 121.44 2f05 h LYS 18 Ca 0.09 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2f05 h LYS 18 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2f05 h LYS 18 CO -0.00 0.07 -0.26 1.15 -0.57 0.00 0.00 179.45 179.84 2f05 h THR 19 N 0.10 1.44 0.00 -0.16 2.02 -1.15 -0.83 112.91 114.33 2f05 h THR 19 Ca 0.29 -1.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 2f05 h THR 19 Cb 0.46 2.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2f05 h THR 19 CO -0.49 0.48 -0.00 0.03 0.37 0.00 0.00 175.52 175.90 2f05 h ARG 20 N -0.24 0.00 -0.26 6.66 2.47 -0.33 -1.74 114.38 120.94 2f05 h ARG 20 Ca -0.02 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.48 2f05 h ARG 20 Cb 0.90 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 28.95 2f05 h ARG 20 CO 0.05 0.00 -0.82 1.19 0.56 0.00 0.00 179.97 180.96 2f05 n PHE 21 N -3.10 0.91 -0.19 3.04 3.72 0.19 -4.79 117.46 117.24 2f05 n PHE 21 Ca -0.00 -1.55 -0.10 0.00 -0.05 0.00 0.00 57.45 55.75 2f05 n PHE 21 Cb 0.25 -0.24 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2f05 n PHE 21 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2f05 h LEU 22 N 1.58 1.00 -0.41 4.37 6.46 -0.19 -1.89 115.31 126.24 2f05 h LEU 22 Ca 0.01 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 2f05 h LEU 22 Cb 1.40 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 2f05 h LEU 22 CO 0.25 1.08 0.00 -0.67 -0.62 0.00 0.00 178.44 178.48 2f05 n ASP 23 N -4.21 0.63 -3.61 1.25 2.03 -1.26 -4.31 116.55 107.08 2f05 n ASP 23 Ca 0.02 -1.25 -0.27 0.00 0.52 0.00 0.00 54.79 53.80 2f05 n ASP 23 Cb 0.36 -0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.64 2f05 n ASP 23 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2f05 n HIS 24 N -0.49 0.85 -0.22 -0.67 8.25 -0.71 -4.97 115.22 117.27 2f05 n HIS 24 Ca 0.21 -3.73 -0.04 0.00 -0.26 0.00 0.00 57.72 53.90 2f05 n HIS 24 Cb 0.21 -0.11 0.14 0.00 1.12 0.00 0.00 29.99 31.35 2f05 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2f05 h PRO 25 N 5.52 1.02 -0.83 -0.41 0.11 -1.75 -2.86 132.00 132.80 2f05 h PRO 25 Ca 0.22 -0.17 0.13 0.00 0.11 0.00 0.00 66.00 66.28 2f05 h PRO 25 Cb 0.84 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.72 2f05 h PRO 25 CO 0.52 0.83 0.54 1.05 -0.21 0.00 0.00 178.00 180.73 2f05 h GLU 26 N 1.00 0.63 -0.17 1.05 4.11 -1.93 -1.16 114.58 118.11 2f05 h GLU 26 Ca 0.23 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.56 2f05 h GLU 26 Cb 0.19 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2f05 h GLU 26 CO -0.02 0.42 -0.13 0.82 0.07 0.00 0.00 179.01 180.16 2f05 h ILE 27 N 0.65 1.33 -0.05 -1.06 2.04 -1.85 0.90 117.51 119.47 2f05 h ILE 27 Ca 0.40 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2f05 h ILE 27 Cb 0.65 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2f05 h ILE 27 CO -0.17 0.37 0.03 0.22 0.00 0.00 0.00 178.15 178.61 2f05 h TYR 28 N 0.05 0.06 -0.49 1.37 3.20 -1.45 -1.98 116.97 117.73 2f05 h TYR 28 Ca 0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2f05 h TYR 28 Cb 0.65 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2f05 h TYR 28 CO 0.08 0.05 0.03 0.00 -1.64 0.00 0.00 178.16 176.68 2f05 h ARG 29 N 0.05 0.85 0.00 1.82 3.08 -1.13 -0.52 114.38 118.54 2f05 h ARG 29 Ca 0.02 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 2f05 h ARG 29 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2f05 h ARG 29 CO -0.00 0.88 -0.31 0.77 -1.07 0.00 0.00 179.97 180.24 2f05 h SER 30 N 0.72 0.00 -0.06 7.04 0.02 -0.72 -2.44 113.55 118.12 2f05 h SER 30 Ca 0.14 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 2f05 h SER 30 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.03 2f05 h SER 30 CO 0.02 0.31 -0.76 0.15 -1.14 0.00 0.00 176.83 175.41 2f05 h PHE 31 N 0.00 0.88 -0.97 3.45 3.57 -0.92 -3.34 116.94 119.61 2f05 h PHE 31 Ca -0.00 -0.44 0.17 0.00 3.53 0.00 0.00 57.97 61.23 2f05 h PHE 31 Cb 0.56 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 39.09 2f05 h PHE 31 CO 0.00 1.26 0.57 -0.07 -2.23 0.00 0.00 178.31 177.84 2f05 h LEU 32 N 0.25 0.74 -1.58 0.59 3.38 -0.63 0.46 115.31 118.52 2f05 h LEU 32 Ca -0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2f05 h LEU 32 Cb 1.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2f05 h LEU 32 CO 0.15 0.29 -0.22 1.05 0.09 0.00 0.00 178.44 179.80 2f05 h GLU 33 N 0.76 0.00 -0.35 1.13 4.11 -1.61 -1.82 114.58 116.80 2f05 h GLU 33 Ca 0.54 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.83 2f05 h GLU 33 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2f05 h GLU 33 CO -0.36 0.22 -0.33 0.82 0.07 0.00 0.00 179.01 179.44 2f05 h ILE 34 N 0.00 1.28 -0.30 -1.06 2.04 -1.03 0.27 117.51 118.71 2f05 h ILE 34 Ca -0.00 -1.50 -0.14 0.00 1.00 0.00 0.00 64.86 64.23 2f05 h ILE 34 Cb 0.43 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2f05 h ILE 34 CO 0.03 0.49 -0.36 0.25 0.00 0.00 0.00 178.15 178.56 2f05 h LEU 35 N 0.63 0.72 -0.25 1.44 7.12 -1.25 0.28 115.31 124.01 2f05 h LEU 35 Ca 0.06 -0.31 -0.04 0.00 0.13 0.00 0.00 57.88 57.72 2f05 h LEU 35 Cb 0.91 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 2f05 h LEU 35 CO 0.08 1.02 -0.00 0.45 -0.13 0.00 0.00 178.44 179.86 2f05 h HIS 36 N 0.57 0.49 -0.78 1.25 3.86 -1.14 -2.64 115.15 116.76 2f05 h HIS 36 Ca 0.06 -0.08 0.11 0.00 -1.16 0.00 0.00 60.37 59.29 2f05 h HIS 36 Cb 0.89 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 29.15 2f05 h HIS 36 CO 0.04 0.61 0.41 1.15 0.86 0.00 0.00 177.93 181.00 2f05 h THR 37 N 0.22 0.84 -0.94 2.45 2.02 -0.13 -2.53 112.91 114.83 2f05 h THR 37 Ca 0.07 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.03 2f05 h THR 37 Cb 0.42 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 2f05 h THR 37 CO 0.01 0.12 0.62 0.22 0.37 0.00 0.00 175.52 176.87 2f05 h TYR 38 N 0.66 1.18 0.00 3.16 3.20 -0.20 -2.24 116.97 122.73 2f05 h TYR 38 Ca 0.39 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.28 2f05 h TYR 38 Cb 0.43 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2f05 h TYR 38 CO -0.09 0.75 -0.03 1.96 -1.64 0.00 0.00 178.16 179.10 2f05 h GLN 39 N 1.27 0.00 0.04 1.82 4.20 -1.10 -2.43 115.11 118.91 2f05 h GLN 39 Ca 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 2f05 h GLN 39 Cb -0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2f05 h GLN 39 CO -0.07 0.03 -0.02 0.87 -0.67 0.00 0.00 178.83 178.97 2f05 h LYS 40 N 0.00 -0.05 0.13 1.46 6.56 -1.47 -3.12 116.57 120.08 2f05 h LYS 40 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2f05 h LYS 40 Cb 0.12 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 2f05 h LYS 40 CO 0.00 0.55 -0.06 1.49 -2.06 0.00 0.00 179.45 179.38 2f05 h GLU 41 N -0.70 -0.17 0.00 3.15 4.22 -1.53 -0.37 114.58 119.19 2f05 h GLU 41 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 2f05 h GLU 41 Cb 0.62 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2f05 h GLU 41 CO 0.01 -0.07 -0.02 -0.56 -2.18 0.00 0.00 179.01 176.19 2f05 h GLN 42 N -0.22 0.00 0.00 1.92 3.07 -1.60 -3.23 115.11 115.05 2f05 h GLN 42 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2f05 h GLN 42 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 2f05 h GLN 42 CO 0.03 0.02 -0.50 -0.11 0.09 0.00 0.00 178.83 178.36 2f05 n LEU 43 N -3.19 1.81 -3.72 0.06 -0.00 -0.86 -4.98 117.00 106.11 2f05 n LEU 43 Ca -0.01 0.64 -0.14 0.00 -0.00 0.00 0.00 56.01 56.50 2f05 n LEU 43 Cb 0.18 -0.87 -0.14 0.00 -0.00 0.00 0.00 43.42 42.59 2f05 n LEU 43 CO 0.24 -0.48 -0.19 -2.28 -0.00 0.00 0.00 177.39 174.68 2f05 s HIS 44 N -2.23 -0.23 -0.28 1.96 5.04 -0.20 -5.09 115.29 114.24 2f05 s HIS 44 Ca -0.15 0.63 0.00 0.00 -1.54 0.00 0.00 55.06 54.01 2f05 s HIS 44 Cb 0.02 -0.07 0.09 0.00 0.04 0.00 0.00 32.58 32.66 2f05 s HIS 44 CO 0.22 -0.22 0.04 0.95 -2.34 0.00 0.00 174.74 173.39 2f05 s THR 45 N 1.47 1.29 0.54 0.89 -4.23 -1.26 -4.47 115.64 109.87 2f05 s THR 45 Ca -0.07 -1.45 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 2f05 s THR 45 Cb -0.11 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 2f05 s THR 45 CO -0.07 -0.46 0.84 -0.75 -0.54 0.00 0.00 174.62 173.64 2f05 s LYS 46 N 1.44 3.14 -0.73 3.99 2.20 -1.26 -4.96 119.74 123.56 2f05 s LYS 46 Ca 0.05 0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.41 2f05 s LYS 46 Cb -0.18 -2.34 -0.05 0.00 -1.51 0.00 0.00 37.83 33.75 2f05 s LYS 46 CO -0.15 -0.49 2.02 0.20 -0.36 0.00 0.00 175.35 176.57 2f05 s GLY 47 N -4.23 -0.00 -0.07 5.54 0.00 -1.26 -4.87 107.32 102.43 2f05 s GLY 47 Ca 0.51 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 44.17 2f05 s GLY 47 CO 0.44 3.62 0.32 -1.60 0.00 0.00 0.00 173.10 175.88 2f05 s ARG 48 N 7.38 0.53 -0.95 2.90 6.06 -1.26 -5.07 118.95 128.54 2f05 s ARG 48 Ca 0.75 0.12 -0.24 0.00 -2.50 0.00 0.00 55.73 53.85 2f05 s ARG 48 Cb -0.11 0.24 -0.00 0.00 0.06 0.00 0.00 34.95 35.14 2f05 s ARG 48 CO 0.11 -0.12 1.73 -2.14 -2.50 0.00 0.00 175.30 172.39 2f05 s PRO 49 N -0.61 3.01 -0.26 5.12 0.02 -1.26 -4.82 135.00 136.20 2f05 s PRO 49 Ca -0.07 -0.64 -0.26 0.00 0.02 0.00 0.00 61.00 60.05 2f05 s PRO 49 Cb -0.04 -5.19 0.10 0.00 0.02 0.00 0.00 34.50 29.40 2f05 s PRO 49 CO 0.02 -2.87 0.91 0.12 -0.33 0.00 0.00 177.00 174.86 2f05 s PHE 50 N 7.86 -0.58 -0.25 6.54 5.36 -1.26 -5.13 117.98 130.51 2f05 s PHE 50 Ca 0.60 1.38 -0.08 0.00 -0.96 0.00 0.00 56.93 57.86 2f05 s PHE 50 Cb -0.04 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 42.95 2f05 s PHE 50 CO -0.05 -0.30 0.09 1.03 -1.46 0.00 0.00 175.22 174.53 2f05 s ARG 51 N 0.12 3.72 0.60 10.12 3.00 -1.26 -5.08 118.95 130.16 2f05 s ARG 51 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 55.73 55.16 2f05 s ARG 51 Cb -0.04 -3.36 -0.04 0.00 0.00 0.00 0.00 34.95 31.50 2f05 s ARG 51 CO -0.03 -0.16 1.03 0.20 0.00 0.00 0.00 175.30 176.34 2f05 s GLY 52 N 1.55 1.86 -0.53 -3.53 0.00 -1.26 -4.93 107.32 100.49 2f05 s GLY 52 Ca 0.06 0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.61 2f05 s GLY 52 CO 0.05 0.39 1.86 -0.29 0.00 0.00 0.00 173.10 175.10 2f05 s MET 53 N -4.64 2.81 0.40 2.90 1.75 -1.26 -4.94 119.30 116.32 2f05 s MET 53 Ca 0.58 0.87 -0.15 0.00 -1.25 0.00 0.00 55.69 55.75 2f05 s MET 53 Cb -0.12 -4.34 -0.08 0.00 2.84 0.00 0.00 34.83 33.13 2f05 s MET 53 CO 0.45 -2.50 0.83 -1.12 -0.65 0.00 0.00 175.02 172.02 2f05 s SER 54 N 7.67 6.69 0.29 1.11 0.01 -1.26 -4.75 113.70 123.45 2f05 s SER 54 Ca 0.72 1.35 0.01 0.00 1.31 0.00 0.00 55.95 59.34 2f05 s SER 54 Cb -0.15 -2.41 0.69 0.00 0.21 0.00 0.00 66.02 64.36 2f05 s SER 54 CO 0.25 -0.36 1.61 -0.08 0.41 0.00 0.00 173.24 175.06 2f05 h GLU 55 N 1.63 0.09 -0.26 12.44 4.81 -1.97 0.19 114.58 131.51 2f05 h GLU 55 Ca -0.48 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2f05 h GLU 55 Cb 1.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2f05 h GLU 55 CO 0.63 0.06 0.01 1.49 -0.73 0.00 0.00 179.01 180.48 2f05 h GLU 56 N 0.09 0.45 0.00 1.92 4.81 -1.99 -0.33 114.58 119.53 2f05 h GLU 56 Ca 0.55 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 2f05 h GLU 56 Cb 1.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2f05 h GLU 56 CO -0.78 0.60 -0.39 1.05 -0.73 0.00 0.00 179.01 178.77 2f05 h GLU 57 N 0.24 0.00 0.40 1.92 4.11 -1.37 -0.91 114.58 118.96 2f05 h GLU 57 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 2f05 h GLU 57 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2f05 h GLU 57 CO 0.01 0.39 -0.19 0.28 0.07 0.00 0.00 179.01 179.57 2f05 h VAL 58 N 0.00 0.61 -0.35 -1.06 2.07 -0.39 -1.16 116.25 115.98 2f05 h VAL 58 Ca -0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2f05 h VAL 58 Cb 0.95 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2f05 h VAL 58 CO 0.05 0.03 0.16 0.15 0.02 0.00 0.00 177.57 177.99 2f05 h PHE 59 N -0.63 0.47 -0.37 1.57 3.57 -0.79 -1.47 116.94 119.29 2f05 h PHE 59 Ca -0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2f05 h PHE 59 Cb 0.46 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2f05 h PHE 59 CO -0.02 0.36 0.23 1.15 -2.23 0.00 0.00 178.31 177.79 2f05 h THR 60 N 0.48 1.11 -0.38 4.41 2.02 -0.86 0.32 112.91 120.02 2f05 h THR 60 Ca 0.12 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 2f05 h THR 60 Cb 0.06 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2f05 h THR 60 CO -0.02 0.11 -0.18 -0.33 0.37 0.00 0.00 175.52 175.48 2f05 h GLU 61 N 0.49 0.72 -0.22 6.66 4.39 -0.18 0.32 114.58 126.76 2f05 h GLU 61 Ca 0.13 -0.26 -0.20 0.00 0.34 0.00 0.00 59.36 59.38 2f05 h GLU 61 Cb -0.02 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2f05 h GLU 61 CO -0.03 0.85 -0.63 0.28 -1.16 0.00 0.00 179.01 178.32 2f05 h VAL 62 N 0.64 1.28 -0.03 3.13 2.07 -1.17 -0.04 116.25 122.12 2f05 h VAL 62 Ca 0.10 -1.82 -0.09 0.00 0.82 0.00 0.00 66.70 65.70 2f05 h VAL 62 Cb 0.65 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2f05 h VAL 62 CO 0.05 0.58 -0.41 0.00 0.02 0.00 0.00 177.57 177.81 2f05 h ALA 63 N 0.61 1.27 0.00 1.67 0.00 -0.04 0.11 119.26 122.88 2f05 h ALA 63 Ca -0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2f05 h ALA 63 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2f05 h ALA 63 CO 0.14 0.53 -0.43 -0.97 0.00 0.00 0.00 179.25 178.52 2f05 h ASN 64 N 0.06 0.00 0.01 0.00 -1.24 -0.10 -0.56 115.58 113.74 2f05 h ASN 64 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2f05 h ASN 64 Cb 0.75 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2f05 h ASN 64 CO 0.06 0.43 -0.00 0.25 -1.29 0.00 0.00 177.43 176.87 2f05 h LEU 65 N 0.00 -0.01 -3.85 0.34 7.12 -0.03 -3.39 115.31 115.50 2f05 h LEU 65 Ca -0.00 -0.75 -0.60 0.00 0.13 0.00 0.00 57.88 56.66 2f05 h LEU 65 Cb 0.79 0.00 -0.36 0.00 -0.53 0.00 0.00 40.66 40.56 2f05 h LEU 65 CO 0.06 0.86 -0.02 0.49 -0.13 0.00 0.00 178.44 179.70 2f05 n PHE 66 N -4.66 2.92 -1.91 1.25 3.72 0.30 -5.01 117.46 114.06 2f05 n PHE 66 Ca -0.08 -2.57 -0.42 0.00 -0.05 0.00 0.00 57.45 54.33 2f05 n PHE 66 Cb 0.36 -0.85 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 2f05 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2f05 s ARG 67 N -3.69 4.18 0.00 -1.08 1.70 -0.22 -1.11 118.95 118.73 2f05 s ARG 67 Ca 0.57 2.32 0.00 0.00 -0.47 0.00 0.00 55.73 58.15 2f05 s ARG 67 Cb 0.46 -3.90 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 2f05 s ARG 67 CO 0.02 -0.83 0.00 0.41 -1.08 0.00 0.00 175.30 173.81 2f05 n GLY 68 N 4.17 1.68 3.22 3.88 0.00 -1.26 -5.00 105.19 111.89 2f05 n GLY 68 Ca 0.17 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 2f05 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f05 n GLN 69 N 0.00 3.41 0.23 1.61 1.13 -0.27 -4.76 117.38 118.73 2f05 n GLN 69 Ca 0.00 -3.60 0.08 0.00 -1.94 0.00 0.00 57.00 51.54 2f05 n GLN 69 Cb 0.00 -3.06 0.55 0.00 0.11 0.00 0.00 30.24 27.84 2f05 n GLN 69 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2f05 h GLU 70 N 6.62 0.00 0.32 -1.09 5.08 -1.95 -2.12 114.58 121.45 2f05 h GLU 70 Ca 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2f05 h GLU 70 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2f05 h GLU 70 CO 1.44 0.21 -0.16 0.22 -1.00 0.00 0.00 179.01 179.72 2f05 h ASP 71 N 0.00 -0.37 -0.95 1.42 3.58 -1.96 -0.41 116.42 117.74 2f05 h ASP 71 Ca -0.00 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2f05 h ASP 71 Cb 0.42 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 2f05 h ASP 71 CO 0.03 -0.16 0.59 -0.07 -2.88 0.00 0.00 179.24 176.74 2f05 h LEU 72 N -0.56 1.14 -1.02 2.28 3.38 -1.88 -0.19 115.31 118.45 2f05 h LEU 72 Ca -0.04 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2f05 h LEU 72 Cb 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2f05 h LEU 72 CO 0.07 0.86 -0.44 -0.07 0.09 0.00 0.00 178.44 178.95 2f05 h LEU 73 N 1.31 0.00 0.05 1.67 3.38 -1.25 0.13 115.31 120.60 2f05 h LEU 73 Ca 0.34 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 2f05 h LEU 73 Cb -0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.69 2f05 h LEU 73 CO -0.07 0.44 -0.67 -1.28 0.09 0.00 0.00 178.44 176.96 2f05 h SER 74 N 0.00 0.50 -0.77 -0.43 0.87 -0.25 -2.60 113.55 110.87 2f05 h SER 74 Ca -0.00 -0.83 -0.03 0.00 -1.23 0.00 0.00 61.79 59.70 2f05 h SER 74 Cb 0.87 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 2f05 h SER 74 CO 0.06 1.28 0.36 -0.33 -0.53 0.00 0.00 176.83 177.66 2f05 h GLU 75 N -0.20 1.13 0.36 2.24 4.39 -0.77 -0.69 114.58 121.03 2f05 h GLU 75 Ca -0.10 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 2f05 h GLU 75 Cb 1.42 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2f05 h GLU 75 CO 0.13 0.88 -0.22 0.35 -1.16 0.00 0.00 179.01 178.99 2f05 h PHE 76 N 1.12 -0.57 -0.06 4.33 3.57 -0.81 -0.85 116.94 123.67 2f05 h PHE 76 Ca 0.27 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2f05 h PHE 76 Cb 0.14 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2f05 h PHE 76 CO 0.01 -0.34 -0.15 0.78 -2.23 0.00 0.00 178.31 176.38 2f05 h GLY 77 N -0.55 0.11 1.25 2.40 0.00 -1.12 -1.01 103.07 104.15 2f05 h GLY 77 Ca -0.04 -0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.02 2f05 h GLY 77 CO 0.04 0.06 -0.71 -1.61 0.00 0.00 0.00 176.54 174.32 2f05 h GLN 78 N 0.10 0.75 -0.31 4.80 4.15 -0.95 -3.27 115.11 120.38 2f05 h GLN 78 Ca 0.02 -0.57 -0.17 0.00 0.77 0.00 0.00 58.65 58.70 2f05 h GLN 78 Cb 0.33 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2f05 h GLN 78 CO 0.02 1.19 -0.48 0.35 -1.93 0.00 0.00 178.83 177.98 2f05 h PHE 79 N 0.53 1.03 -4.31 3.99 3.57 -0.49 -3.46 116.94 117.80 2f05 h PHE 79 Ca -0.03 -0.34 -0.50 0.00 3.53 0.00 0.00 57.97 60.63 2f05 h PHE 79 Cb 1.32 -0.20 0.10 0.00 2.79 0.00 0.00 35.95 39.96 2f05 h PHE 79 CO 0.08 1.15 0.35 -0.51 -2.23 0.00 0.00 178.31 177.15 2f05 s LEU 80 N -8.70 2.91 -0.25 0.59 1.02 -0.44 -4.97 118.68 108.83 2f05 s LEU 80 Ca -0.10 1.51 -0.29 0.00 0.02 0.00 0.00 54.13 55.27 2f05 s LEU 80 Cb 0.11 -4.27 -0.03 0.00 0.02 0.00 0.00 46.19 42.02 2f05 s LEU 80 CO 0.88 -1.70 1.79 -2.16 0.02 0.00 0.00 176.35 175.18 2f05 s PRO 81 N -5.08 3.53 -1.36 1.29 0.04 -1.26 -4.91 135.00 127.26 2f05 s PRO 81 Ca 0.59 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 63.22 2f05 s PRO 81 Cb -0.14 -4.15 0.10 0.00 0.04 0.00 0.00 34.50 30.34 2f05 s PRO 81 CO 0.55 -1.62 2.39 0.39 0.04 0.00 0.00 177.00 178.75 2f05 n GLU 82 N 8.13 4.36 0.04 4.56 1.02 -1.26 -4.72 120.64 132.77 2f05 n GLU 82 Ca 0.22 -3.31 -0.13 0.00 -0.02 0.00 0.00 57.16 53.92 2f05 n GLU 82 Cb 0.46 -2.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.09 2f05 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f05 h ALA 83 N 4.80 -0.12 0.16 0.62 0.00 -1.98 -3.28 119.26 119.46 2f05 h ALA 83 Ca 0.69 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 55.14 2f05 h ALA 83 Cb 0.34 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.19 2f05 h ALA 83 CO 1.54 -0.38 -1.29 0.87 0.00 0.00 0.00 179.25 179.99 2f05 h LYS 84 N -0.48 0.34 0.00 0.00 1.57 -2.01 -3.55 116.57 112.45 2f05 h LYS 84 Ca -0.01 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2f05 h LYS 84 Cb 0.41 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2f05 h LYS 84 CO 0.02 1.28 0.00 -2.13 -0.57 0.00 0.00 179.45 178.05