#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e91 n SER 2 N 0.00 -3.87 -2.67 1.62 7.64 -1.26 -4.86 113.62 110.22 1e91 n SER 2 Ca 0.00 -0.70 -0.04 0.00 1.01 0.00 0.00 58.87 59.14 1e91 n SER 2 Cb 0.00 -4.43 0.01 0.00 -1.01 0.00 0.00 64.21 58.78 1e91 n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1e91 n ASP 3 N -2.99 -1.29 -4.67 6.43 2.03 -1.26 -5.15 116.55 109.66 1e91 n ASP 3 Ca -0.11 -1.81 -0.39 0.00 0.52 0.00 0.00 54.79 53.01 1e91 n ASP 3 Cb 0.60 1.01 0.04 0.00 -0.72 0.00 0.00 41.12 42.05 1e91 n ASP 3 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1e91 n SER 4 N -0.51 1.60 -0.34 1.67 3.41 -1.26 -4.85 113.62 113.35 1e91 n SER 4 Ca -0.23 0.90 0.07 0.00 -0.26 0.00 0.00 58.87 59.36 1e91 n SER 4 Cb 0.69 -1.46 0.25 0.00 -0.26 0.00 0.00 64.21 63.43 1e91 n SER 4 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1e91 h VAL 5 N 0.99 0.95 -0.88 -3.33 2.07 -2.01 -0.55 116.25 113.50 1e91 h VAL 5 Ca -0.49 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 66.72 1e91 h VAL 5 Cb 1.34 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1e91 h VAL 5 CO 0.54 0.18 0.58 -0.33 0.02 0.00 0.00 177.57 178.56 1e91 h GLU 6 N 0.98 1.11 0.81 1.57 5.08 -1.97 0.55 114.58 122.71 1e91 h GLU 6 Ca 0.47 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1e91 h GLU 6 Cb 0.44 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1e91 h GLU 6 CO -0.23 0.74 -0.39 0.35 -1.00 0.00 0.00 179.01 178.48 1e91 h PHE 7 N 1.15 -1.00 0.00 4.33 3.57 -1.45 -0.30 116.94 123.24 1e91 h PHE 7 Ca 0.33 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1e91 h PHE 7 Cb -0.07 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1e91 h PHE 7 CO -0.00 -0.62 -0.19 -0.91 -2.23 0.00 0.00 178.31 174.36 1e91 h ASN 8 N -1.12 0.00 -0.64 0.41 2.35 -1.35 -1.53 115.58 113.69 1e91 h ASN 8 Ca -0.11 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1e91 h ASN 8 Cb 0.84 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.16 1e91 h ASN 8 CO 0.18 0.19 0.38 -1.13 -1.65 0.00 0.00 177.43 175.40 1e91 h ASN 9 N 0.00 0.61 -0.11 5.81 -0.73 0.56 -0.77 115.58 120.95 1e91 h ASN 9 Ca -0.00 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.08 1e91 h ASN 9 Cb 0.36 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1e91 h ASN 9 CO 0.02 0.41 -0.30 0.00 -0.37 0.00 0.00 177.43 177.20 1e91 h ALA 10 N 1.29 0.18 -0.64 1.57 0.00 -0.22 -3.21 119.26 118.23 1e91 h ALA 10 Ca 0.26 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1e91 h ALA 10 Cb 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1e91 h ALA 10 CO -0.13 0.21 0.24 0.82 0.00 0.00 0.00 179.25 180.39 1e91 h ILE 11 N -0.05 0.75 -0.62 0.00 1.08 -0.97 -0.42 117.51 117.28 1e91 h ILE 11 Ca -0.01 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1e91 h ILE 11 Cb 0.91 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1e91 h ILE 11 CO 0.06 0.08 0.41 -1.28 -0.69 0.00 0.00 178.15 176.73 1e91 h SER 12 N 0.41 0.58 0.50 1.72 0.87 -1.19 0.43 113.55 116.87 1e91 h SER 12 Ca 0.33 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1e91 h SER 12 Cb 0.42 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1e91 h SER 12 CO -0.33 0.39 -0.24 0.22 -0.53 0.00 0.00 176.83 176.35 1e91 h TYR 13 N 0.67 -0.62 -0.77 2.24 3.20 -1.09 0.25 116.97 120.86 1e91 h TYR 13 Ca 0.26 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 1e91 h TYR 13 Cb 0.18 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1e91 h TYR 13 CO -0.00 -0.31 0.47 0.28 -1.64 0.00 0.00 178.16 176.95 1e91 h VAL 14 N -0.83 1.21 -0.64 1.81 2.07 -1.05 -1.08 116.25 117.74 1e91 h VAL 14 Ca -0.07 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1e91 h VAL 14 Cb 0.58 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1e91 h VAL 14 CO 0.11 0.22 0.16 -1.13 0.02 0.00 0.00 177.57 176.95 1e91 h ASN 15 N 1.06 0.97 -0.46 0.57 -0.73 0.02 -1.63 115.58 115.38 1e91 h ASN 15 Ca 0.28 -0.23 -0.10 0.00 1.87 0.00 0.00 56.30 58.11 1e91 h ASN 15 Cb -0.05 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 1e91 h ASN 15 CO -0.05 0.95 -0.10 0.50 -0.37 0.00 0.00 177.43 178.36 1e91 h LYS 16 N 0.95 0.93 -0.63 6.67 3.64 0.11 -1.41 116.57 126.82 1e91 h LYS 16 Ca 0.20 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1e91 h LYS 16 Cb 0.36 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1e91 h LYS 16 CO 0.00 0.98 0.32 0.82 -2.27 0.00 0.00 179.45 179.30 1e91 h ILE 17 N 0.83 1.21 0.36 2.00 2.04 -0.92 0.14 117.51 123.17 1e91 h ILE 17 Ca 0.14 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1e91 h ILE 17 Cb 0.63 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1e91 h ILE 17 CO 0.04 0.24 -0.17 0.50 0.00 0.00 0.00 178.15 178.76 1e91 h LYS 18 N 0.86 -0.46 -0.16 2.37 3.64 -1.11 -2.27 116.57 119.44 1e91 h LYS 18 Ca 0.22 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1e91 h LYS 18 Cb 0.09 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1e91 h LYS 18 CO -0.03 -0.17 0.11 0.00 -2.27 0.00 0.00 179.45 177.09 1e91 h THR 19 N -0.75 1.01 0.15 1.00 1.03 -1.19 -2.28 112.91 111.88 1e91 h THR 19 Ca -0.05 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 1e91 h THR 19 Cb 0.51 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 1e91 h THR 19 CO 0.08 0.03 -0.07 -0.09 -0.01 0.00 0.00 175.52 175.46 1e91 h ARG 20 N 0.17 -0.19 -1.47 0.00 9.65 -0.61 -3.26 114.38 118.68 1e91 h ARG 20 Ca 0.06 0.01 -0.66 0.00 -1.10 0.00 0.00 59.98 58.29 1e91 h ARG 20 Cb 0.05 0.04 -0.26 0.00 -1.39 0.00 0.00 29.97 28.41 1e91 h ARG 20 CO -0.01 0.18 0.86 1.19 2.80 0.00 0.00 179.97 184.99 1e91 n PHE 21 N -5.00 2.87 -0.29 2.20 3.01 -0.86 -4.67 117.46 114.72 1e91 n PHE 21 Ca -0.09 -2.61 0.01 0.00 1.01 0.00 0.00 57.45 55.77 1e91 n PHE 21 Cb 0.24 -1.31 0.14 0.00 -0.01 0.00 0.00 39.48 38.54 1e91 n PHE 21 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1e91 h LEU 22 N 2.54 0.73 -0.50 4.37 3.38 -1.47 0.47 115.31 124.83 1e91 h LEU 22 Ca 0.55 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.49 1e91 h LEU 22 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1e91 h LEU 22 CO 1.41 0.45 -0.30 -0.78 0.09 0.00 0.00 178.44 179.31 1e91 h ASP 23 N 0.85 0.00 -2.82 -0.43 3.58 -1.89 -3.35 116.42 112.37 1e91 h ASP 23 Ca 0.37 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 57.10 1e91 h ASP 23 Cb 0.24 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 40.95 1e91 h ASP 23 CO -0.20 0.30 0.12 1.41 -2.88 0.00 0.00 179.24 177.99 1e91 n HIS 24 N -3.27 3.33 0.00 0.28 8.25 0.14 -4.87 115.22 119.08 1e91 n HIS 24 Ca 0.01 -3.53 -0.02 0.00 -0.26 0.00 0.00 57.72 53.93 1e91 n HIS 24 Cb 0.57 -1.03 0.25 0.00 1.12 0.00 0.00 29.99 30.90 1e91 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1e91 h PRO 25 N 5.23 0.51 -0.82 -0.41 0.13 -1.68 -2.91 132.00 132.06 1e91 h PRO 25 Ca 0.19 -0.14 0.15 0.00 -0.87 0.00 0.00 66.00 65.33 1e91 h PRO 25 Cb 0.69 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.70 1e91 h PRO 25 CO 1.04 0.62 0.54 1.05 -0.23 0.00 0.00 178.00 181.02 1e91 h GLU 26 N 0.48 0.49 0.13 0.86 9.09 -1.89 -1.53 114.58 122.21 1e91 h GLU 26 Ca 0.09 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.46 1e91 h GLU 26 Cb 0.47 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1e91 h GLU 26 CO 0.03 0.32 -0.06 0.82 0.05 0.00 0.00 179.01 180.16 1e91 h ILE 27 N 0.50 0.98 -0.39 -1.06 1.08 -1.86 -2.07 117.51 114.68 1e91 h ILE 27 Ca 0.41 -0.46 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1e91 h ILE 27 Cb 0.85 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 1e91 h ILE 27 CO -0.15 0.11 0.15 0.22 -0.69 0.00 0.00 178.15 177.79 1e91 h TYR 28 N -0.39 0.27 0.15 1.37 3.20 -1.45 -1.49 116.97 118.63 1e91 h TYR 28 Ca -0.02 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1e91 h TYR 28 Cb 0.32 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1e91 h TYR 28 CO -0.00 0.12 -0.27 0.00 -1.64 0.00 0.00 178.16 176.37 1e91 h ARG 29 N 0.32 -0.47 -0.43 1.82 2.47 -1.27 -1.78 114.38 115.04 1e91 h ARG 29 Ca 0.18 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.00 1e91 h ARG 29 Cb 0.14 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.51 1e91 h ARG 29 CO -0.17 -0.32 0.06 1.03 0.56 0.00 0.00 179.97 181.14 1e91 h SER 30 N -0.49 -0.05 -0.54 7.04 0.87 -1.14 -1.61 113.55 117.63 1e91 h SER 30 Ca 0.02 0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1e91 h SER 30 Cb 0.51 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.51 1e91 h SER 30 CO -0.13 0.01 0.08 0.15 -0.53 0.00 0.00 176.83 176.41 1e91 h PHE 31 N 0.18 0.12 -0.86 2.24 3.57 -0.94 0.41 116.94 121.66 1e91 h PHE 31 Ca 0.21 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1e91 h PHE 31 Cb 0.28 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1e91 h PHE 31 CO -0.23 -0.05 0.57 -0.07 -2.23 0.00 0.00 178.31 176.30 1e91 h LEU 32 N 0.21 0.99 -1.62 0.59 3.38 -0.57 -0.52 115.31 117.77 1e91 h LEU 32 Ca 0.28 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1e91 h LEU 32 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1e91 h LEU 32 CO -0.38 0.72 -0.19 -0.08 0.09 0.00 0.00 178.44 178.60 1e91 h GLU 33 N 1.17 0.00 0.60 1.13 4.81 -0.23 0.13 114.58 122.20 1e91 h GLU 33 Ca 0.32 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1e91 h GLU 33 Cb -0.13 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.26 1e91 h GLU 33 CO -0.07 0.19 -0.29 0.82 -0.73 0.00 0.00 179.01 178.93 1e91 h ILE 34 N 0.00 0.36 -0.56 2.32 2.04 0.66 0.37 117.51 122.70 1e91 h ILE 34 Ca -0.00 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1e91 h ILE 34 Cb 0.33 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1e91 h ILE 34 CO 0.02 0.02 0.26 -0.07 0.00 0.00 0.00 178.15 178.39 1e91 h LEU 35 N -0.93 0.71 -0.20 1.44 3.38 -1.23 -2.03 115.31 116.46 1e91 h LEU 35 Ca -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1e91 h LEU 35 Cb 0.66 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1e91 h LEU 35 CO 0.14 0.61 0.13 0.45 0.09 0.00 0.00 178.44 179.85 1e91 h HIS 36 N 0.79 0.25 -0.65 1.13 3.86 -0.47 -2.14 115.15 117.92 1e91 h HIS 36 Ca 0.20 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1e91 h HIS 36 Cb 0.09 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1e91 h HIS 36 CO 0.01 0.15 0.40 1.15 0.86 0.00 0.00 177.93 180.50 1e91 h THR 37 N 0.27 1.18 0.25 2.45 2.02 0.22 -1.17 112.91 118.13 1e91 h THR 37 Ca 0.07 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1e91 h THR 37 Cb -0.03 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1e91 h THR 37 CO -0.02 0.18 -0.42 0.22 0.37 0.00 0.00 175.52 175.85 1e91 h TYR 38 N 0.88 -1.17 -0.71 3.16 3.20 -0.74 -0.55 116.97 121.04 1e91 h TYR 38 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1e91 h TYR 38 Cb -0.05 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1e91 h TYR 38 CO 0.00 -0.54 0.43 1.96 -1.64 0.00 0.00 178.16 178.37 1e91 h GLN 39 N -0.74 0.96 -0.69 1.82 1.08 -1.18 -2.27 115.11 114.09 1e91 h GLN 39 Ca -0.01 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1e91 h GLN 39 Cb 0.71 -0.20 -0.08 0.00 -0.05 0.00 0.00 27.48 27.87 1e91 h GLN 39 CO -0.17 0.69 0.31 0.87 -0.95 0.00 0.00 178.83 179.58 1e91 h LYS 40 N 0.97 0.51 -0.24 1.46 1.79 -0.76 -0.96 116.57 119.35 1e91 h LYS 40 Ca 0.25 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.56 1e91 h LYS 40 Cb -0.03 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1e91 h LYS 40 CO -0.05 0.34 -0.42 1.49 -1.08 0.00 0.00 179.45 179.73 1e91 h GLU 41 N 0.52 0.57 -0.07 3.15 4.57 -0.80 -3.09 114.58 119.44 1e91 h GLU 41 Ca 0.35 -0.30 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1e91 h GLU 41 Cb 0.42 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1e91 h GLU 41 CO -0.30 0.89 -0.39 0.37 -1.18 0.00 0.00 179.01 178.39 1e91 h GLN 42 N 0.47 0.14 -6.26 1.92 4.15 -0.73 -3.43 115.11 111.37 1e91 h GLN 42 Ca 0.04 -0.06 -0.55 0.00 0.77 0.00 0.00 58.65 58.84 1e91 h GLN 42 Cb 0.92 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1e91 h GLN 42 CO 0.08 0.52 0.91 -0.51 -1.93 0.00 0.00 178.83 177.90 1e91 s LEU 43 N -8.22 4.27 0.00 -2.39 1.43 -0.46 -4.95 118.68 108.35 1e91 s LEU 43 Ca -0.04 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1e91 s LEU 43 Cb 0.14 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1e91 s LEU 43 CO 0.75 -0.78 0.00 0.00 0.23 0.00 0.00 176.35 176.56 1e91 n HIS 44 N 6.26 0.00 -5.14 0.29 1.44 -1.26 -4.98 115.22 111.83 1e91 n HIS 44 Ca 0.14 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.53 1e91 n HIS 44 Cb 0.44 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.39 1e91 n HIS 44 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1e91 s THR 45 N -0.52 2.31 0.27 0.61 -4.23 -1.26 -4.99 115.64 107.84 1e91 s THR 45 Ca 0.00 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1e91 s THR 45 Cb 0.00 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1e91 s THR 45 CO 0.00 0.56 0.00 0.29 -0.54 0.00 0.00 174.62 174.93 1e91 n LYS 46 N 3.21 -5.68 0.00 3.99 4.76 -1.26 -5.09 118.16 118.09 1e91 n LYS 46 Ca -0.18 4.03 0.00 0.00 -2.87 0.00 0.00 58.31 59.29 1e91 n LYS 46 Cb 0.52 -4.38 0.00 0.00 -1.84 0.00 0.00 35.03 29.34 1e91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1e91 n GLY 47 N 1.53 4.34 3.66 0.72 0.00 -1.26 -5.11 105.19 109.06 1e91 n GLY 47 Ca 0.00 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 1e91 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e91 n ARG 48 N -1.53 1.99 -1.95 1.61 1.74 -1.26 -4.92 116.66 112.34 1e91 n ARG 48 Ca 0.00 0.71 -0.37 0.00 -0.77 0.00 0.00 57.85 57.42 1e91 n ARG 48 Cb 0.00 -2.38 0.04 0.00 -1.02 0.00 0.00 32.46 29.10 1e91 n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1e91 s PRO 49 N -0.15 3.00 0.16 5.56 0.04 -1.26 -5.05 135.00 137.31 1e91 s PRO 49 Ca 0.71 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 63.65 1e91 s PRO 49 Cb -0.67 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1e91 s PRO 49 CO 0.48 -1.21 0.16 0.12 0.04 0.00 0.00 177.00 176.58 1e91 s PHE 50 N -1.50 0.79 0.48 0.56 5.36 -1.26 -5.02 117.98 117.40 1e91 s PHE 50 Ca 0.76 -1.13 0.33 0.00 -0.96 0.00 0.00 56.93 55.93 1e91 s PHE 50 Cb -0.33 -0.35 1.44 0.00 -0.34 0.00 0.00 43.02 43.43 1e91 s PHE 50 CO 0.37 -0.63 1.71 0.00 -1.46 0.00 0.00 175.22 175.21 1e91 h ARG 51 N 2.69 0.12 0.00 10.12 3.08 -2.04 -3.44 114.38 124.90 1e91 h ARG 51 Ca -0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1e91 h ARG 51 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1e91 h ARG 51 CO 0.53 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.92 1e91 n GLY 52 N -1.65 3.22 3.60 0.04 0.00 -1.26 -4.82 105.19 104.32 1e91 n GLY 52 Ca 0.31 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1e91 n GLY 52 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1e91 s MET 53 N 0.00 0.61 0.00 1.61 1.75 -1.26 -5.08 119.30 116.93 1e91 s MET 53 Ca 0.00 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.87 1e91 s MET 53 Cb 0.00 0.29 0.00 0.00 2.84 0.00 0.00 34.83 37.96 1e91 s MET 53 CO 0.00 -0.13 0.00 0.43 -0.65 0.00 0.00 175.02 174.67 1e91 n SER 54 N 1.59 1.89 0.04 1.11 7.64 -1.26 -4.74 113.62 119.88 1e91 n SER 54 Ca -0.12 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.80 1e91 n SER 54 Cb 0.57 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 64.21 1e91 n SER 54 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1e91 h GLU 55 N 0.00 0.47 -0.69 1.43 3.07 -1.98 -1.57 114.58 115.30 1e91 h GLU 55 Ca 0.00 -0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1e91 h GLU 55 Cb 0.00 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 27.73 1e91 h GLU 55 CO 0.00 0.32 0.32 1.05 -1.40 0.00 0.00 179.01 179.30 1e91 h GLU 56 N 0.48 0.52 0.00 2.33 4.11 -1.96 0.78 114.58 120.83 1e91 h GLU 56 Ca 0.13 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.48 1e91 h GLU 56 Cb -0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1e91 h GLU 56 CO -0.03 0.34 -0.25 1.49 0.07 0.00 0.00 179.01 180.64 1e91 h GLU 57 N 0.54 0.00 -0.80 1.06 4.57 -1.84 -3.27 114.58 114.84 1e91 h GLU 57 Ca 0.35 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.66 1e91 h GLU 57 Cb 0.41 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.91 1e91 h GLU 57 CO -0.29 0.81 0.40 0.28 -1.18 0.00 0.00 179.01 179.03 1e91 h VAL 58 N -1.00 0.76 -0.64 0.32 2.07 -1.25 0.11 116.25 116.62 1e91 h VAL 58 Ca -0.06 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1e91 h VAL 58 Cb 0.89 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1e91 h VAL 58 CO -0.04 0.11 0.36 0.15 0.02 0.00 0.00 177.57 178.17 1e91 h PHE 59 N 0.61 0.86 -0.04 1.57 3.57 -1.00 -1.56 116.94 120.96 1e91 h PHE 59 Ca 0.42 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 1e91 h PHE 59 Cb 0.56 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1e91 h PHE 59 CO -0.10 0.60 -0.10 1.15 -2.23 0.00 0.00 178.31 177.63 1e91 h THR 60 N 0.89 1.44 -0.32 4.41 2.02 -0.97 -1.58 112.91 118.81 1e91 h THR 60 Ca 0.23 -1.45 0.04 0.00 0.77 0.00 0.00 66.41 66.00 1e91 h THR 60 Cb 0.01 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1e91 h THR 60 CO -0.04 0.40 0.09 -0.33 0.37 0.00 0.00 175.52 176.01 1e91 h GLU 61 N -0.39 0.22 -0.59 6.66 4.39 -0.71 0.26 114.58 124.42 1e91 h GLU 61 Ca -0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1e91 h GLU 61 Cb 0.69 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1e91 h GLU 61 CO 0.02 0.14 0.14 0.28 -1.16 0.00 0.00 179.01 178.44 1e91 h VAL 62 N 0.22 1.25 -0.91 3.13 2.07 -1.36 -1.62 116.25 119.02 1e91 h VAL 62 Ca 0.15 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1e91 h VAL 62 Cb 0.14 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1e91 h VAL 62 CO -0.17 0.33 0.61 0.00 0.02 0.00 0.00 177.57 178.36 1e91 h ALA 63 N 1.03 1.36 -0.61 1.67 0.00 -0.62 0.80 119.26 122.89 1e91 h ALA 63 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1e91 h ALA 63 Cb 0.35 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1e91 h ALA 63 CO 0.00 0.58 0.16 -0.91 0.00 0.00 0.00 179.25 179.08 1e91 h ASN 64 N 1.22 0.88 0.18 0.00 2.35 0.00 -2.90 115.58 117.31 1e91 h ASN 64 Ca 0.34 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1e91 h ASN 64 Cb -0.11 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.04 1e91 h ASN 64 CO -0.08 0.85 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.39 1e91 h LEU 65 N 0.90 -0.20 -3.14 1.61 3.38 -0.30 -3.30 115.31 114.26 1e91 h LEU 65 Ca 0.20 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1e91 h LEU 65 Cb 0.31 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1e91 h LEU 65 CO -0.00 -0.05 0.00 0.49 0.09 0.00 0.00 178.44 178.97 1e91 n PHE 66 N -3.19 0.00 -2.08 1.13 3.72 0.16 -4.90 117.46 112.30 1e91 n PHE 66 Ca -0.03 -0.69 -0.41 0.00 -0.05 0.00 0.00 57.45 56.27 1e91 n PHE 66 Cb 0.09 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 38.20 1e91 n PHE 66 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1e91 s ARG 67 N 0.52 4.32 0.00 -1.08 3.52 -1.10 -2.79 118.95 122.34 1e91 s ARG 67 Ca 0.00 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 1e91 s ARG 67 Cb 0.00 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1e91 s ARG 67 CO 0.00 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1e91 n GLY 68 N 1.20 2.24 0.23 8.12 0.00 -1.26 -4.77 105.19 110.96 1e91 n GLY 68 Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1e91 n GLY 68 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1e91 h GLN 69 N 0.00 -0.54 0.00 1.61 7.50 -1.92 -3.45 115.11 118.31 1e91 h GLN 69 Ca 0.00 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.19 1e91 h GLN 69 Cb 0.00 0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.65 1e91 h GLN 69 CO 0.00 -0.36 0.00 0.39 -1.50 0.00 0.00 178.83 177.36 1e91 n GLU 70 N -4.33 0.00 -0.00 1.46 1.02 -1.12 -4.68 120.64 113.00 1e91 n GLU 70 Ca -0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.96 1e91 n GLU 70 Cb 0.22 -3.70 -0.06 0.00 -0.02 0.00 0.00 31.44 27.88 1e91 n GLU 70 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1e91 h ASP 71 N 0.00 0.09 -0.12 1.62 3.58 -1.89 -1.34 116.42 118.35 1e91 h ASP 71 Ca 0.00 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.22 1e91 h ASP 71 Cb 0.00 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1e91 h ASP 71 CO 0.00 0.17 -0.34 -0.07 -2.88 0.00 0.00 179.24 176.12 1e91 h LEU 72 N 0.01 0.65 -1.07 2.28 3.38 -1.95 -2.91 115.31 115.71 1e91 h LEU 72 Ca 0.03 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 57.85 1e91 h LEU 72 Cb 0.10 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 1e91 h LEU 72 CO -0.00 0.94 0.62 0.25 0.09 0.00 0.00 178.44 180.34 1e91 h LEU 73 N 0.53 0.87 -0.85 1.67 7.12 -1.82 -0.65 115.31 122.18 1e91 h LEU 73 Ca 0.06 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1e91 h LEU 73 Cb 0.84 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.77 1e91 h LEU 73 CO 0.07 0.46 0.50 -1.28 -0.13 0.00 0.00 178.44 178.07 1e91 h SER 74 N 0.93 0.74 -0.33 1.25 0.87 -1.04 -0.45 113.55 115.51 1e91 h SER 74 Ca 0.48 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.98 1e91 h SER 74 Cb 0.53 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1e91 h SER 74 CO -0.25 0.43 -0.19 -0.33 -0.53 0.00 0.00 176.83 175.95 1e91 h GLU 75 N 0.85 0.72 -0.64 2.24 5.08 -1.24 -2.94 114.58 118.65 1e91 h GLU 75 Ca 0.41 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1e91 h GLU 75 Cb 0.35 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1e91 h GLU 75 CO -0.24 0.93 0.36 0.35 -1.00 0.00 0.00 179.01 179.42 1e91 h PHE 76 N 0.49 0.67 -0.79 4.33 3.57 -0.69 -2.14 116.94 122.38 1e91 h PHE 76 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1e91 h PHE 76 Cb 0.74 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1e91 h PHE 76 CO 0.06 0.34 0.46 0.78 -2.23 0.00 0.00 178.31 177.72 1e91 h GLY 77 N 0.68 1.15 0.47 2.40 0.00 -1.06 -2.44 103.07 104.28 1e91 h GLY 77 Ca 0.28 -0.49 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1e91 h GLY 77 CO -0.16 0.47 0.26 1.46 0.00 0.00 0.00 176.54 178.58 1e91 h GLN 78 N 1.09 0.46 -0.31 4.80 4.20 -1.20 -2.25 115.11 121.89 1e91 h GLN 78 Ca 0.28 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 1e91 h GLN 78 Cb -0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1e91 h GLN 78 CO -0.05 0.30 -0.04 0.74 -0.67 0.00 0.00 178.83 179.12 1e91 h PHE 79 N 0.47 0.64 -3.05 2.96 -1.00 -1.39 -3.43 116.94 112.15 1e91 h PHE 79 Ca 0.30 -0.13 -0.53 0.00 2.81 0.00 0.00 57.97 60.43 1e91 h PHE 79 Cb 0.33 -0.16 0.04 0.00 3.61 0.00 0.00 35.95 39.77 1e91 h PHE 79 CO -0.14 0.74 0.81 -0.51 -1.61 0.00 0.00 178.31 177.60 1e91 s LEU 80 N -9.37 4.38 0.52 1.54 1.43 -0.85 -4.98 118.68 111.35 1e91 s LEU 80 Ca -0.13 2.59 -0.21 0.00 -1.03 0.00 0.00 54.13 55.34 1e91 s LEU 80 Cb 0.09 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1e91 s LEU 80 CO 0.78 -0.75 1.21 -2.84 0.23 0.00 0.00 176.35 174.97 1e91 s PRO 81 N 0.61 3.39 0.00 1.29 0.02 -1.26 -4.90 135.00 134.15 1e91 s PRO 81 Ca 0.65 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1e91 s PRO 81 Cb -0.42 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1e91 s PRO 81 CO 0.35 -0.88 0.00 -0.85 -0.33 0.00 0.00 177.00 175.29 1e91 n GLU 82 N -0.97 2.01 -2.15 5.54 0.28 -1.26 -5.05 120.64 119.03 1e91 n GLU 82 Ca 0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.08 1e91 n GLU 82 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1e91 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1e91 n ALA 83 N -3.00 -1.81 -1.78 -1.84 0.00 -1.26 -5.12 120.51 105.70 1e91 n ALA 83 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1e91 n ALA 83 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1e91 n ALA 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1e91 s LYS 84 N 0.02 4.17 0.00 0.00 2.20 -1.26 -5.29 119.74 119.59 1e91 s LYS 84 Ca 0.02 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1e91 s LYS 84 Cb 0.06 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1e91 s LYS 84 CO -0.02 -0.46 0.00 2.89 -0.36 0.00 0.00 175.35 177.40