#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmu s SER 2 N 0.00 6.60 0.27 1.61 0.01 -1.26 -4.95 113.70 115.98 2dmu s SER 2 Ca 0.00 0.73 -0.00 0.00 1.31 0.00 0.00 55.95 57.99 2dmu s SER 2 Cb 0.00 -2.31 0.61 0.00 0.21 0.00 0.00 66.02 64.53 2dmu s SER 2 CO 0.00 -0.23 1.37 -1.20 0.41 0.00 0.00 173.24 173.59 2dmu n SER 3 N 4.95 -0.15 0.00 2.44 7.64 -1.26 -4.88 113.62 122.37 2dmu n SER 3 Ca -0.03 1.49 0.00 0.00 1.01 0.00 0.00 58.87 61.33 2dmu n SER 3 Cb 0.50 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2dmu n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmu n GLY 4 N -1.46 0.93 3.31 0.23 0.00 -1.26 -4.99 105.19 101.94 2dmu n GLY 4 Ca 0.19 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 2dmu n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmu n SER 5 N 0.00 -5.07 -4.41 1.61 7.64 -1.26 -5.01 113.62 107.12 2dmu n SER 5 Ca 0.00 -0.49 -0.30 0.00 1.01 0.00 0.00 58.87 59.09 2dmu n SER 5 Cb 0.00 -4.53 -0.13 0.00 -1.01 0.00 0.00 64.21 58.54 2dmu n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmu s SER 6 N -3.48 3.49 0.00 6.43 0.15 -1.26 -5.07 113.70 113.96 2dmu s SER 6 Ca 0.41 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2dmu s SER 6 Cb -0.18 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2dmu s SER 6 CO 0.64 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.92 2dmu n GLY 7 N 1.35 0.95 3.80 9.45 0.00 -1.26 -5.04 105.19 114.45 2dmu n GLY 7 Ca -0.17 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 2dmu n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmu n ARG 8 N 0.00 -6.26 -0.07 1.61 1.74 -1.26 -4.91 116.66 107.51 2dmu n ARG 8 Ca 0.00 0.67 -0.08 0.00 -0.77 0.00 0.00 57.85 57.67 2dmu n ARG 8 Cb 0.00 -5.60 -0.05 0.00 -1.02 0.00 0.00 32.46 25.79 2dmu n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dmu h ARG 9 N -2.26 0.00 -5.83 5.56 -0.00 -2.03 -3.45 114.38 106.37 2dmu h ARG 9 Ca -0.58 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.31 2dmu h ARG 9 Cb 1.37 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 31.26 2dmu h ARG 9 CO 0.63 0.41 0.39 -3.38 0.00 0.00 0.00 179.97 178.02 2dmu s HIS 10 N -1.99 3.36 -0.14 3.04 -3.43 -1.26 -4.96 115.29 109.92 2dmu s HIS 10 Ca -0.12 1.15 -0.21 0.00 -0.80 0.00 0.00 55.06 55.08 2dmu s HIS 10 Cb 0.00 -3.00 -0.18 0.00 -1.43 0.00 0.00 32.58 27.97 2dmu s HIS 10 CO 0.31 -0.31 0.48 0.00 -2.00 0.00 0.00 174.74 173.23 2dmu h ARG 11 N 7.52 0.00 -6.99 -0.38 3.08 -2.03 -3.46 114.38 112.11 2dmu h ARG 11 Ca -0.27 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.25 2dmu h ARG 11 Cb 1.12 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.27 2dmu h ARG 11 CO 0.84 0.74 0.63 0.99 -1.07 0.00 0.00 179.97 182.10 2dmu s THR 12 N -2.10 2.35 0.38 2.04 2.01 -1.26 -5.00 115.64 114.07 2dmu s THR 12 Ca -0.16 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 2dmu s THR 12 Cb -0.01 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 2dmu s THR 12 CO 0.51 0.03 0.81 -0.51 -0.69 0.00 0.00 174.62 174.76 2dmu s ILE 13 N -1.29 4.64 0.60 1.82 1.10 -1.26 -5.06 121.20 121.74 2dmu s ILE 13 Ca 0.63 1.00 -0.14 0.00 -0.51 0.00 0.00 60.65 61.63 2dmu s ILE 13 Cb -0.39 -3.65 -0.04 0.00 0.15 0.00 0.00 42.46 38.53 2dmu s ILE 13 CO 0.49 -0.34 1.03 -0.36 -2.11 0.00 0.00 174.94 173.65 2dmu s PHE 14 N -2.18 3.31 0.54 3.50 0.40 -1.26 -5.06 117.98 117.23 2dmu s PHE 14 Ca 0.55 1.43 -0.07 0.00 -0.60 0.00 0.00 56.93 58.24 2dmu s PHE 14 Cb -0.10 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 2dmu s PHE 14 CO 0.21 -0.80 0.87 -0.08 0.70 0.00 0.00 175.22 176.11 2dmu s THR 15 N -2.80 4.61 0.21 0.64 -1.32 -1.26 -4.84 115.64 110.87 2dmu s THR 15 Ca 0.59 0.32 -0.13 0.00 -1.21 0.00 0.00 61.69 61.26 2dmu s THR 15 Cb -0.13 -3.78 0.22 0.00 -1.51 0.00 0.00 72.50 67.30 2dmu s THR 15 CO 0.43 -0.84 1.64 -2.24 -2.21 0.00 0.00 174.62 171.40 2dmu h ASP 16 N 0.01 -0.46 -0.52 8.08 3.04 -1.98 0.42 116.42 125.00 2dmu h ASP 16 Ca -0.46 0.17 0.09 0.00 -3.24 0.00 0.00 57.03 53.59 2dmu h ASP 16 Cb 1.21 0.34 -0.07 0.00 -1.04 0.00 0.00 39.33 39.77 2dmu h ASP 16 CO 0.62 -0.17 0.11 -0.08 -2.04 0.00 0.00 179.24 177.67 2dmu h GLU 17 N 0.04 0.24 -0.04 4.15 4.81 -1.99 0.23 114.58 122.02 2dmu h GLU 17 Ca 0.31 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2dmu h GLU 17 Cb 0.49 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2dmu h GLU 17 CO -0.60 0.16 0.02 1.96 -0.73 0.00 0.00 179.01 179.82 2dmu h GLN 18 N 0.25 0.06 -0.95 1.92 4.20 -1.35 -1.91 115.11 117.33 2dmu h GLN 18 Ca 0.27 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.00 2dmu h GLN 18 Cb 0.36 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 2dmu h GLN 18 CO -0.34 0.17 0.62 -0.07 -0.67 0.00 0.00 178.83 178.54 2dmu h LEU 19 N -0.06 1.04 0.02 1.46 3.38 -0.41 -0.63 115.31 120.11 2dmu h LEU 19 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dmu h LEU 19 Cb 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2dmu h LEU 19 CO -0.00 0.72 -0.01 -0.08 0.09 0.00 0.00 178.44 179.15 2dmu h GLU 20 N 1.21 -0.03 0.05 1.13 4.81 -0.32 0.62 114.58 122.04 2dmu h GLU 20 Ca 0.37 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2dmu h GLU 20 Cb -0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2dmu h GLU 20 CO -0.11 0.06 -0.02 0.00 -0.73 0.00 0.00 179.01 178.21 2dmu h ALA 21 N 0.86 -0.07 0.31 2.92 0.00 -0.99 0.35 119.26 122.65 2dmu h ALA 21 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dmu h ALA 21 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2dmu h ALA 21 CO 0.01 -0.51 -0.27 -0.07 0.00 0.00 0.00 179.25 178.40 2dmu h LEU 22 N -0.12 -0.72 -0.91 0.00 3.38 -1.07 -0.40 115.31 115.47 2dmu h LEU 22 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dmu h LEU 22 Cb 0.10 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2dmu h LEU 22 CO 0.01 -0.40 0.58 -0.33 0.09 0.00 0.00 178.44 178.38 2dmu h GLU 23 N -0.60 1.22 -0.69 1.13 5.08 -0.83 0.19 114.58 120.07 2dmu h GLU 23 Ca -0.02 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2dmu h GLU 23 Cb 0.54 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2dmu h GLU 23 CO -0.03 0.83 0.45 -0.91 -1.00 0.00 0.00 179.01 178.35 2dmu h ASN 24 N 1.25 0.79 0.01 1.42 2.35 0.04 0.33 115.58 121.78 2dmu h ASN 24 Ca 0.33 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2dmu h ASN 24 Cb -0.10 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.08 2dmu h ASN 24 CO -0.07 0.58 -0.00 0.25 -1.65 0.00 0.00 177.43 176.54 2dmu h LEU 25 N 0.94 -0.01 -1.96 1.61 5.85 -0.39 -2.96 115.31 118.38 2dmu h LEU 25 Ca 0.25 -0.75 0.02 0.00 0.84 0.00 0.00 57.88 58.24 2dmu h LEU 25 Cb -0.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 2dmu h LEU 25 CO -0.05 0.84 0.07 0.15 -0.34 0.00 0.00 178.44 179.11 2dmu h PHE 26 N -0.97 0.05 -0.04 1.25 3.57 -0.56 0.15 116.94 120.39 2dmu h PHE 26 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2dmu h PHE 26 Cb 0.76 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2dmu h PHE 26 CO 0.21 0.03 -0.04 1.96 -2.23 0.00 0.00 178.31 178.24 2dmu h GLN 27 N 0.06 0.11 -0.34 1.11 1.08 -0.42 -3.25 115.11 113.45 2dmu h GLN 27 Ca 0.04 -0.06 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2dmu h GLN 27 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2dmu h GLN 27 CO -0.00 0.56 -0.35 1.05 -0.95 0.00 0.00 178.83 179.13 2dmu h GLU 28 N -0.34 0.78 -4.91 1.46 4.11 -1.26 -3.45 114.58 110.97 2dmu h GLU 28 Ca 0.01 -0.38 -0.37 0.00 0.07 0.00 0.00 59.36 58.69 2dmu h GLU 28 Cb 0.54 -0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.55 2dmu h GLU 28 CO 0.01 1.01 -0.77 -0.08 0.07 0.00 0.00 179.01 179.25 2dmu s THR 29 N -4.40 0.81 0.02 -1.06 -1.32 0.50 -5.05 115.64 105.15 2dmu s THR 29 Ca -0.09 -0.93 -0.06 0.00 -1.21 0.00 0.00 61.69 59.40 2dmu s THR 29 Cb 0.12 -0.78 -0.29 0.00 -1.51 0.00 0.00 72.50 70.04 2dmu s THR 29 CO 0.85 -0.12 0.92 0.11 -2.21 0.00 0.00 174.62 174.17 2dmu h LYS 30 N 4.91 0.31 -3.31 7.08 1.79 -1.83 -3.32 116.57 122.21 2dmu h LYS 30 Ca -0.36 -0.53 -0.55 0.00 -2.18 0.00 0.00 60.65 57.03 2dmu h LYS 30 Cb 1.19 0.20 -0.40 0.00 -1.58 0.00 0.00 32.23 31.64 2dmu h LYS 30 CO 0.43 1.21 -0.76 0.71 -1.08 0.00 0.00 179.45 179.96 2dmu s TYR 31 N -2.62 1.13 0.96 -1.35 1.51 -1.26 -4.98 117.35 110.73 2dmu s TYR 31 Ca -0.09 -1.29 -0.12 0.00 -1.01 0.00 0.00 57.07 54.57 2dmu s TYR 31 Cb 0.06 -1.32 0.16 0.00 -0.11 0.00 0.00 41.96 40.76 2dmu s TYR 31 CO 0.87 -0.81 1.09 -1.25 -1.11 0.00 0.00 175.55 174.35 2dmu s PRO 32 N 1.82 0.76 0.28 -1.71 0.04 -1.26 -5.07 135.00 129.86 2dmu s PRO 32 Ca 0.07 0.65 0.06 0.00 0.04 0.00 0.00 61.00 61.83 2dmu s PRO 32 Cb -0.17 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2dmu s PRO 32 CO -0.26 -2.54 0.32 0.16 0.04 0.00 0.00 177.00 174.73 2dmu s ASP 33 N -3.43 5.83 0.30 6.66 1.47 -1.26 -4.93 116.67 121.31 2dmu s ASP 33 Ca 0.65 -0.18 0.03 0.00 1.18 0.00 0.00 52.55 54.22 2dmu s ASP 33 Cb -0.18 -1.44 0.60 0.00 -0.34 0.00 0.00 42.92 41.56 2dmu s ASP 33 CO 0.57 -0.19 1.86 1.62 0.68 0.00 0.00 175.17 179.71 2dmu h VAL 34 N 1.22 0.94 -0.84 2.11 3.04 -1.98 0.13 116.25 120.86 2dmu h VAL 34 Ca -0.48 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 64.85 2dmu h VAL 34 Cb 1.24 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.39 2dmu h VAL 34 CO 0.59 0.17 0.39 1.23 -1.01 0.00 0.00 177.57 178.94 2dmu h GLY 35 N 0.95 1.31 0.40 3.17 0.00 -2.00 -1.13 103.07 105.76 2dmu h GLY 35 Ca 0.47 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2dmu h GLY 35 CO -0.23 0.63 -0.20 -0.84 0.00 0.00 0.00 176.54 175.90 2dmu h THR 36 N 1.20 1.57 -0.94 4.70 2.02 -1.66 -3.15 112.91 116.65 2dmu h THR 36 Ca 0.29 -1.94 0.10 0.00 0.77 0.00 0.00 66.41 65.63 2dmu h THR 36 Cb 0.14 2.80 -0.08 0.00 -1.74 0.00 0.00 68.15 69.27 2dmu h THR 36 CO -0.03 0.53 0.58 0.03 0.37 0.00 0.00 175.52 176.99 2dmu h ARG 37 N -0.56 0.94 0.04 6.66 3.08 -0.75 0.72 114.38 124.50 2dmu h ARG 37 Ca -0.03 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2dmu h ARG 37 Cb 0.97 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2dmu h ARG 37 CO 0.04 0.62 -0.08 0.93 -1.07 0.00 0.00 179.97 180.41 2dmu h GLU 38 N 0.96 -0.15 0.25 0.04 5.08 -1.28 -0.83 114.58 118.66 2dmu h GLU 38 Ca 0.45 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 2dmu h GLU 38 Cb 0.37 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dmu h GLU 38 CO -0.24 -0.10 -0.12 1.96 -1.00 0.00 0.00 179.01 179.51 2dmu h GLN 39 N -0.16 -0.33 -0.62 2.33 4.20 -1.36 -3.06 115.11 116.11 2dmu h GLN 39 Ca 0.02 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.88 2dmu h GLN 39 Cb 0.18 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.92 2dmu h GLN 39 CO -0.05 -0.08 -0.10 1.25 -0.67 0.00 0.00 178.83 179.18 2dmu h LEU 40 N -0.54 -0.47 -0.05 1.46 5.85 -0.81 0.07 115.31 120.83 2dmu h LEU 40 Ca -0.03 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2dmu h LEU 40 Cb 0.40 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2dmu h LEU 40 CO 0.06 -0.18 -0.16 0.00 -0.34 0.00 0.00 178.44 177.82 2dmu h ALA 41 N 1.60 -0.54 -0.82 1.25 0.00 -1.09 0.43 119.26 120.09 2dmu h ALA 41 Ca 0.31 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.39 2dmu h ALA 41 Cb 0.49 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2dmu h ALA 41 CO -0.60 -0.60 0.55 0.00 0.00 0.00 0.00 179.25 178.60 2dmu h ARG 42 N -0.16 0.30 -0.53 0.00 3.08 -1.37 0.42 114.38 116.13 2dmu h ARG 42 Ca 0.01 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2dmu h ARG 42 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2dmu h ARG 42 CO -0.13 0.20 -0.12 -0.22 -1.07 0.00 0.00 179.97 178.62 2dmu h LYS 43 N 0.30 1.01 -0.61 0.04 1.63 0.60 -2.78 116.57 116.76 2dmu h LYS 43 Ca 0.41 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2dmu h LYS 43 Cb 1.14 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2dmu h LYS 43 CO -0.12 1.07 0.00 1.33 -3.45 0.00 0.00 179.45 178.28 2dmu n VAL 44 N -4.16 0.92 -3.55 2.00 0.24 0.14 -4.94 118.33 108.98 2dmu n VAL 44 Ca 0.01 -0.83 -0.20 0.00 -2.04 0.00 0.00 64.34 61.28 2dmu n VAL 44 Cb 0.41 0.35 0.07 0.00 -1.47 0.00 0.00 33.84 33.20 2dmu n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2dmu n HIS 45 N 1.21 -2.31 -4.39 6.34 8.25 0.12 -4.80 115.22 119.64 2dmu n HIS 45 Ca 0.20 0.94 -0.21 0.00 -0.26 0.00 0.00 57.72 58.39 2dmu n HIS 45 Cb 0.55 -4.89 -0.09 0.00 1.12 0.00 0.00 29.99 26.68 2dmu n HIS 45 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dmu s LEU 46 N -6.69 1.80 -0.13 2.41 1.43 0.61 -4.98 118.68 113.14 2dmu s LEU 46 Ca 0.17 -1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 51.62 2dmu s LEU 46 Cb -0.08 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 2dmu s LEU 46 CO 0.75 -0.89 0.13 -0.13 0.23 0.00 0.00 176.35 176.45 2dmu s ARG 47 N -3.77 3.51 0.25 1.70 0.52 -1.26 -3.70 118.95 116.20 2dmu s ARG 47 Ca 0.33 -0.15 -0.13 0.00 -0.52 0.00 0.00 55.73 55.26 2dmu s ARG 47 Cb 0.04 -3.20 0.33 0.00 0.52 0.00 0.00 34.95 32.65 2dmu s ARG 47 CO 0.17 0.73 1.56 0.93 0.02 0.00 0.00 175.30 178.71 2dmu h GLU 48 N 5.17 -0.01 -0.86 3.54 3.07 -1.90 0.83 114.58 124.42 2dmu h GLU 48 Ca -0.53 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.48 2dmu h GLU 48 Cb 1.22 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.04 2dmu h GLU 48 CO 0.60 -0.00 0.45 1.05 -1.40 0.00 0.00 179.01 179.70 2dmu h GLU 49 N -0.01 0.60 -0.27 2.33 4.11 -1.96 -1.12 114.58 118.27 2dmu h GLU 49 Ca 0.40 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 2dmu h GLU 49 Cb 0.65 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2dmu h GLU 49 CO -0.99 0.40 0.13 0.87 0.07 0.00 0.00 179.01 179.48 2dmu h LYS 50 N 0.62 0.39 -0.65 1.06 1.79 0.26 -2.45 116.57 117.59 2dmu h LYS 50 Ca 0.48 -0.06 0.13 0.00 -2.18 0.00 0.00 60.65 59.02 2dmu h LYS 50 Cb 0.69 -0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.18 2dmu h LYS 50 CO -0.37 0.38 0.14 0.28 -1.08 0.00 0.00 179.45 178.80 2dmu h VAL 51 N 0.30 0.59 -0.26 0.50 2.07 -0.15 -1.34 116.25 117.96 2dmu h VAL 51 Ca 0.09 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dmu h VAL 51 Cb 0.12 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2dmu h VAL 51 CO -0.01 0.05 0.14 -0.08 0.02 0.00 0.00 177.57 177.69 2dmu h GLU 52 N 0.26 0.36 -0.20 1.57 4.57 -1.24 -3.06 114.58 116.83 2dmu h GLU 52 Ca 0.35 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.53 2dmu h GLU 52 Cb 0.54 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 2dmu h GLU 52 CO -0.44 0.31 -0.51 0.28 -1.18 0.00 0.00 179.01 177.47 2dmu h VAL 53 N 0.31 0.04 -0.69 0.32 2.07 -0.78 -1.08 116.25 116.44 2dmu h VAL 53 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 2dmu h VAL 53 Cb 0.06 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 29.75 2dmu h VAL 53 CO -0.01 0.00 -0.38 -0.25 0.02 0.00 0.00 177.57 176.94 2dmu h TRP 54 N -0.51 -1.08 -0.53 1.57 7.01 -1.37 0.15 115.95 121.19 2dmu h TRP 54 Ca 0.06 0.08 0.09 0.00 2.11 0.00 0.00 58.89 61.24 2dmu h TRP 54 Cb 0.65 0.57 -0.08 0.00 -2.10 0.00 0.00 29.16 28.21 2dmu h TRP 54 CO -0.59 -0.40 0.09 0.74 -2.79 0.00 0.00 178.44 175.50 2dmu h PHE 55 N -0.14 0.14 0.32 2.65 -1.00 -1.27 -0.65 116.94 116.98 2dmu h PHE 55 Ca 0.24 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 2dmu h PHE 55 Cb 0.56 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 2dmu h PHE 55 CO -0.72 -0.03 -0.26 0.87 -1.61 0.00 0.00 178.31 176.57 2dmu h LYS 56 N 0.22 -0.56 -0.49 1.51 1.57 0.44 0.32 116.57 119.58 2dmu h LYS 56 Ca 0.27 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 2dmu h LYS 56 Cb 0.38 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 2dmu h LYS 56 CO -0.36 -0.37 -0.01 -0.91 -0.57 0.00 0.00 179.45 177.23 2dmu h ASN 57 N -0.58 -0.22 -0.01 0.86 -0.26 -0.43 -2.03 115.58 112.90 2dmu h ASN 57 Ca -0.02 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2dmu h ASN 57 Cb 0.51 0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.98 2dmu h ASN 57 CO -0.02 -0.07 -0.01 0.03 -1.06 0.00 0.00 177.43 176.30 2dmu h ARG 58 N 0.11 -0.02 -0.96 0.81 2.47 -0.87 -2.62 114.38 113.29 2dmu h ARG 58 Ca 0.24 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.27 2dmu h ARG 58 Cb 0.37 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.52 2dmu h ARG 58 CO -0.41 -0.01 0.27 -0.09 0.56 0.00 0.00 179.97 180.29 2dmu h ARG 59 N -0.02 0.09 -0.74 0.04 2.43 -0.19 0.68 114.38 116.67 2dmu h ARG 59 Ca 0.01 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 2dmu h ARG 59 Cb 0.03 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 2dmu h ARG 59 CO -0.02 0.06 0.26 0.00 -1.51 0.00 0.00 179.97 178.76 2dmu h ALA 60 N 1.92 1.01 0.11 2.80 0.00 -1.22 0.63 119.26 124.51 2dmu h ALA 60 Ca 0.67 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.52 2dmu h ALA 60 Cb 1.51 0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.44 2dmu h ALA 60 CO -0.78 -0.25 -0.79 -0.22 0.00 0.00 0.00 179.25 177.22 2dmu h LYS 61 N 0.39 0.33 -0.59 0.00 3.64 0.14 -3.20 116.57 117.28 2dmu h LYS 61 Ca 0.41 -0.51 0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2dmu h LYS 61 Cb 0.63 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.54 2dmu h LYS 61 CO -0.42 1.22 0.05 2.35 -2.27 0.00 0.00 179.45 180.37 2dmu h TRP 62 N -0.29 0.05 -0.65 1.91 7.01 -0.20 0.11 115.95 123.88 2dmu h TRP 62 Ca -0.13 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2dmu h TRP 62 Cb 1.59 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 28.68 2dmu h TRP 62 CO 0.18 -0.11 0.36 0.07 -2.79 0.00 0.00 178.44 176.15 2dmu h ARG 63 N 0.16 0.89 -0.23 2.65 0.11 -1.00 -2.72 114.38 114.24 2dmu h ARG 63 Ca 0.31 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 60.24 2dmu h ARG 63 Cb 0.48 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2dmu h ARG 63 CO -0.46 0.65 -0.08 -0.09 0.10 0.00 0.00 179.97 180.09 2dmu h ARG 64 N 0.90 0.46 -6.68 0.08 9.65 -0.89 -3.43 114.38 114.47 2dmu h ARG 64 Ca 0.23 -0.19 -0.51 0.00 -1.10 0.00 0.00 59.98 58.42 2dmu h ARG 64 Cb 0.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2dmu h ARG 64 CO -0.04 0.71 0.42 0.45 2.80 0.00 0.00 179.97 184.30 2dmu s SER 65 N -6.09 7.42 0.00 -3.80 0.15 0.14 -4.98 113.70 106.55 2dmu s SER 65 Ca -0.14 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.52 2dmu s SER 65 Cb 0.07 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dmu s SER 65 CO 0.76 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2dmu n GLY 66 N 1.82 0.15 3.56 9.45 0.00 -1.26 -4.85 105.19 114.06 2dmu n GLY 66 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2dmu n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmu s PRO 67 N -0.37 2.57 0.37 1.61 0.04 -1.26 -4.94 135.00 133.01 2dmu s PRO 67 Ca 0.00 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 60.95 2dmu s PRO 67 Cb 0.00 -4.97 -0.05 0.00 0.04 0.00 0.00 34.50 29.52 2dmu s PRO 67 CO 0.00 -3.29 0.13 -1.12 0.04 0.00 0.00 177.00 172.76 2dmu s SER 68 N 8.04 4.45 0.37 6.66 0.01 -1.26 -5.13 113.70 126.84 2dmu s SER 68 Ca 0.70 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.84 2dmu s SER 68 Cb -0.07 -0.57 -0.09 0.00 0.21 0.00 0.00 66.02 65.50 2dmu s SER 68 CO 0.02 -0.39 0.80 -0.55 0.41 0.00 0.00 173.24 173.53 2dmu s SER 69 N -3.84 6.75 0.00 2.44 0.15 -1.26 -5.30 113.70 112.64 2dmu s SER 69 Ca 0.39 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.38 2dmu s SER 69 Cb 0.01 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dmu s SER 69 CO 0.22 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.97