#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk s GLU 2 N 0.00 2.44 -0.65 -1.08 2.02 -1.26 -5.06 118.70 115.11 3abk s GLU 2 Ca 0.00 -1.26 -0.25 0.00 0.02 0.00 0.00 54.97 53.48 3abk s GLU 2 Cb 0.00 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.98 3abk s GLU 2 CO 0.00 0.40 1.11 1.21 0.02 0.00 0.00 175.26 178.00 3abk s ASN 3 N -3.48 6.24 -0.29 -0.19 3.84 -1.26 -4.84 114.94 114.96 3abk s ASN 3 Ca 0.30 -0.49 0.11 0.00 0.21 0.00 0.00 52.86 53.00 3abk s ASN 3 Cb -0.08 -2.50 0.77 0.00 -0.55 0.00 0.00 41.25 38.90 3abk s ASN 3 CO 0.20 -1.55 1.78 0.54 -2.79 0.00 0.00 177.10 175.28 3abk n ARG 4 N 8.39 4.10 -0.21 0.43 5.12 -1.26 -4.69 116.66 128.55 3abk n ARG 4 Ca 0.02 -3.12 -0.03 0.00 -1.93 0.00 0.00 57.85 52.79 3abk n ARG 4 Cb 0.48 -2.23 0.07 0.00 -1.16 0.00 0.00 32.46 29.62 3abk n ARG 4 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3abk h VAL 5 N 3.09 1.00 -0.66 1.55 2.07 -2.00 -2.03 116.25 119.26 3abk h VAL 5 Ca 0.17 -0.22 0.15 0.00 0.82 0.00 0.00 66.70 67.61 3abk h VAL 5 Cb 2.20 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 3abk h VAL 5 CO 0.64 0.12 0.45 0.00 0.02 0.00 0.00 177.57 178.81 3abk h ALA 6 N 1.30 2.24 -0.24 1.67 0.00 -2.00 0.29 119.26 122.53 3abk h ALA 6 Ca 0.26 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 3abk h ALA 6 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3abk h ALA 6 CO -0.15 -0.42 -0.48 0.93 0.00 0.00 0.00 179.25 179.13 3abk h GLU 7 N 0.27 0.64 -0.04 0.00 5.08 -1.73 -2.46 114.58 116.34 3abk h GLU 7 Ca 0.32 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3abk h GLU 7 Cb 0.88 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3abk h GLU 7 CO -0.07 0.98 -0.70 0.87 -1.00 0.00 0.00 179.01 179.09 3abk h LYS 8 N 0.51 0.21 -0.54 2.33 1.79 -0.64 -2.47 116.57 117.76 3abk h LYS 8 Ca 0.03 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.23 3abk h LYS 8 Cb 1.03 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 3abk h LYS 8 CO 0.10 0.83 -0.04 1.96 -1.08 0.00 0.00 179.45 181.21 3abk h GLN 9 N 0.14 0.94 0.04 3.15 4.20 -0.31 -0.98 115.11 122.30 3abk h GLN 9 Ca -0.02 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 3abk h GLN 9 Cb 1.25 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3abk h GLN 9 CO 0.11 0.96 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.98 3abk h LYS 10 N 0.86 -0.06 -0.33 1.46 3.64 -1.36 0.14 116.57 120.93 3abk h LYS 10 Ca 0.15 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3abk h LYS 10 Cb 0.56 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 3abk h LYS 10 CO 0.03 0.40 -0.25 1.25 -2.27 0.00 0.00 179.45 178.60 3abk h LEU 11 N -0.53 -0.83 0.00 5.20 5.85 -1.36 -0.97 115.31 122.66 3abk h LEU 11 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3abk h LEU 11 Cb 0.48 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3abk h LEU 11 CO 0.01 -0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.32 3abk n PHE 12 N -5.39 0.00 0.53 1.25 3.01 -0.38 -2.46 117.46 114.02 3abk n PHE 12 Ca 0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 3abk n PHE 12 Cb 0.31 -0.39 0.06 0.00 -0.01 0.00 0.00 39.48 39.44 3abk n PHE 12 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3abk n GLN 13 N -1.39 0.83 -1.64 -1.08 6.02 0.03 -4.99 117.38 115.16 3abk n GLN 13 Ca 0.08 -1.29 -0.49 0.00 -0.01 0.00 0.00 57.00 55.29 3abk n GLN 13 Cb 0.21 -1.25 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 3abk n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3abk n GLU 14 N 0.73 1.75 -2.86 -1.09 2.13 -0.46 -4.87 120.64 115.97 3abk n GLU 14 Ca 0.08 0.63 -0.44 0.00 0.66 0.00 0.00 57.16 58.09 3abk n GLU 14 Cb 0.33 -2.36 -0.01 0.00 0.27 0.00 0.00 31.44 29.67 3abk n GLU 14 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3abk s ASP 15 N 1.14 6.83 -0.00 4.31 -1.08 -1.26 -4.53 116.67 122.07 3abk s ASP 15 Ca 0.83 -2.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 3abk s ASP 15 Cb -0.80 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.23 3abk s ASP 15 CO 0.43 -0.98 0.94 -0.46 0.52 0.00 0.00 175.17 175.62 3abk n ASN 16 N 6.59 1.74 0.00 -0.34 0.23 -1.26 -4.99 115.26 117.23 3abk n ASN 16 Ca 0.33 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 3abk n ASN 16 Cb 0.46 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 3abk n ASN 16 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3abk n GLY 17 N -0.45 0.32 3.80 4.83 0.00 -1.26 -4.99 105.19 107.44 3abk n GLY 17 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3abk n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abk s LEU 18 N 0.00 4.49 0.70 0.99 1.43 -1.26 -5.03 118.68 120.00 3abk s LEU 18 Ca 0.00 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.40 3abk s LEU 18 Cb 0.00 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 43.00 3abk s LEU 18 CO 0.00 0.18 1.07 -2.16 0.23 0.00 0.00 176.35 175.67 3abk s PRO 19 N -1.42 2.89 0.49 1.29 0.04 -1.26 -4.72 135.00 132.30 3abk s PRO 19 Ca 0.35 0.70 0.20 0.00 0.04 0.00 0.00 61.00 62.29 3abk s PRO 19 Cb -0.20 -2.00 1.23 0.00 0.04 0.00 0.00 34.50 33.57 3abk s PRO 19 CO 0.22 -1.07 2.04 -0.24 0.04 0.00 0.00 177.00 177.99 3abk h VAL 20 N -0.69 0.88 0.00 -0.36 3.04 -1.99 0.71 116.25 117.85 3abk h VAL 20 Ca -0.45 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.70 3abk h VAL 20 Cb 1.23 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3abk h VAL 20 CO 0.61 0.14 0.00 0.00 -1.01 0.00 0.00 177.57 177.31 3abk n HIS 21 N -4.04 0.00 0.10 3.17 1.44 -1.26 -2.71 115.22 111.91 3abk n HIS 21 Ca -0.02 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.70 3abk n HIS 21 Cb 0.23 -0.30 -0.01 0.00 0.12 0.00 0.00 29.99 30.03 3abk n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3abk n LEU 22 N -1.30 0.34 0.00 2.39 4.77 0.24 -4.77 117.00 118.66 3abk n LEU 22 Ca 0.11 -0.61 0.05 0.00 -0.03 0.00 0.00 56.01 55.53 3abk n LEU 22 Cb 0.19 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.53 3abk n LEU 22 CO 0.18 0.08 0.67 1.17 -1.33 0.00 0.00 177.39 178.16 3abk n LYS 23 N -0.79 0.04 0.04 3.23 4.81 -0.42 -2.08 118.16 122.99 3abk n LYS 23 Ca 0.01 0.28 0.13 0.00 -0.87 0.00 0.00 58.31 57.85 3abk n LYS 23 Cb 0.04 -1.50 0.33 0.00 0.02 0.00 0.00 35.03 33.91 3abk n LYS 23 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3abk n GLY 24 N -0.34 -1.43 0.00 3.14 0.00 -1.26 -4.79 105.19 100.51 3abk n GLY 24 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3abk n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abk n GLY 25 N 1.42 0.27 0.25 -0.02 0.00 -0.88 -4.80 105.19 101.42 3abk n GLY 25 Ca 0.05 -2.31 0.10 0.00 0.00 0.00 0.00 46.02 43.86 3abk n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abk h ALA 26 N 0.00 1.49 -0.77 4.61 0.00 -1.96 -0.95 119.26 121.67 3abk h ALA 26 Ca 0.00 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3abk h ALA 26 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3abk h ALA 26 CO 0.00 0.17 0.41 1.15 0.00 0.00 0.00 179.25 180.98 3abk h THR 27 N 0.00 0.86 -0.82 0.00 2.02 -1.95 -1.58 112.91 111.42 3abk h THR 27 Ca -0.00 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3abk h THR 27 Cb 0.30 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 3abk h THR 27 CO 0.02 0.12 0.54 0.44 0.37 0.00 0.00 175.52 177.01 3abk h ASP 28 N 0.68 0.89 -0.22 4.18 5.19 -1.49 -2.29 116.42 123.36 3abk h ASP 28 Ca 0.38 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 3abk h ASP 28 Cb 0.40 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3abk h ASP 28 CO -0.27 0.62 0.08 0.78 -3.12 0.00 0.00 179.24 177.33 3abk h ASN 29 N 1.04 0.30 0.38 6.45 2.35 -1.34 0.31 115.58 125.07 3abk h ASN 29 Ca 0.32 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3abk h ASN 29 Cb -0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3abk h ASN 29 CO -0.09 0.39 -0.24 0.40 -1.65 0.00 0.00 177.43 176.24 3abk h ILE 30 N 0.20 0.51 -0.63 2.81 2.04 -1.17 0.64 117.51 121.89 3abk h ILE 30 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 3abk h ILE 30 Cb 0.18 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3abk h ILE 30 CO -0.01 0.00 0.38 0.25 0.00 0.00 0.00 178.15 178.77 3abk h LEU 31 N -0.59 0.61 0.04 1.44 5.85 -1.34 0.25 115.31 121.57 3abk h LEU 31 Ca -0.04 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3abk h LEU 31 Cb 0.49 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3abk h LEU 31 CO 0.04 0.42 -0.27 0.22 -0.34 0.00 0.00 178.44 178.51 3abk h TYR 32 N 0.74 -0.72 -0.79 1.25 3.20 -0.62 -0.25 116.97 119.78 3abk h TYR 32 Ca 0.26 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.17 3abk h TYR 32 Cb 0.06 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3abk h TYR 32 CO -0.06 -0.36 0.51 0.00 -1.64 0.00 0.00 178.16 176.61 3abk h ARG 33 N -0.44 0.99 -0.10 1.82 3.08 -0.19 -0.59 114.38 118.95 3abk h ARG 33 Ca 0.05 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3abk h ARG 33 Cb 0.50 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3abk h ARG 33 CO -0.20 0.65 0.04 0.28 -1.07 0.00 0.00 179.97 179.67 3abk h VAL 34 N 1.02 0.98 0.13 2.04 2.07 -0.33 0.11 116.25 122.27 3abk h VAL 34 Ca 0.30 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 3abk h VAL 34 Cb -0.05 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3abk h VAL 34 CO -0.09 0.02 -0.09 0.74 0.02 0.00 0.00 177.57 178.16 3abk h THR 35 N 0.09 0.80 -0.22 2.57 2.02 -0.67 -1.13 112.91 116.36 3abk h THR 35 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 3abk h THR 35 Cb 0.02 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3abk h THR 35 CO -0.04 0.00 -0.34 -0.03 0.37 0.00 0.00 175.52 175.48 3abk h MET 36 N -0.23 0.48 -0.37 6.66 -1.53 -1.11 0.13 114.93 118.96 3abk h MET 36 Ca -0.01 -0.21 -0.01 0.00 -3.44 0.00 0.00 59.70 56.03 3abk h MET 36 Cb 0.20 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 3abk h MET 36 CO -0.00 0.76 0.18 1.15 0.14 0.00 0.00 176.91 179.14 3abk h THR 37 N 0.41 1.17 -0.54 -0.77 2.02 -0.50 0.10 112.91 114.79 3abk h THR 37 Ca 0.05 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 3abk h THR 37 Cb 0.79 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3abk h THR 37 CO 0.06 0.18 0.05 -0.07 0.37 0.00 0.00 175.52 176.11 3abk h LEU 38 N 0.46 0.89 0.01 2.58 3.38 -0.83 -0.15 115.31 121.66 3abk h LEU 38 Ca 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3abk h LEU 38 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3abk h LEU 38 CO -0.02 0.95 -0.01 0.00 0.09 0.00 0.00 178.44 179.46 3abk h LEU 40 N -0.09 0.24 -0.44 0.00 3.38 -0.95 0.68 115.31 118.11 3abk h LEU 40 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3abk h LEU 40 Cb 0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3abk h LEU 40 CO 0.00 0.55 0.21 1.23 0.09 0.00 0.00 178.44 180.53 3abk h GLY 41 N -0.08 0.68 0.54 0.83 0.00 -1.09 -1.27 103.07 102.67 3abk h GLY 41 Ca 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.08 3abk h GLY 41 CO 0.01 0.32 0.08 -1.33 0.00 0.00 0.00 176.54 175.62 3abk h GLY 42 N 0.57 0.45 0.98 4.60 0.00 -0.69 0.20 103.07 109.18 3abk h GLY 42 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3abk h GLY 42 CO -0.02 -0.03 0.19 -0.84 0.00 0.00 0.00 176.54 175.84 3abk h THR 43 N 0.20 1.23 -0.43 4.70 2.02 -0.57 0.48 112.91 120.54 3abk h THR 43 Ca 0.18 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3abk h THR 43 Cb 0.21 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3abk h THR 43 CO -0.24 0.27 0.23 -0.07 0.37 0.00 0.00 175.52 176.08 3abk h LEU 44 N 0.72 0.35 -1.03 2.58 3.38 -0.87 0.19 115.31 120.62 3abk h LEU 44 Ca 0.17 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3abk h LEU 44 Cb 0.24 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3abk h LEU 44 CO -0.01 0.25 0.64 0.22 0.09 0.00 0.00 178.44 179.63 3abk h TYR 45 N 0.46 1.17 -0.49 1.13 3.20 -0.15 0.81 116.97 123.10 3abk h TYR 45 Ca 0.18 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3abk h TYR 45 Cb 0.06 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3abk h TYR 45 CO -0.09 0.60 0.02 0.66 -1.64 0.00 0.00 178.16 177.70 3abk h SER 46 N 1.14 0.83 -0.50 -2.11 4.64 0.01 0.15 113.55 117.71 3abk h SER 46 Ca 0.43 -0.30 0.09 0.00 -0.47 0.00 0.00 61.79 61.55 3abk h SER 46 Cb 0.20 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 3abk h SER 46 CO -0.18 0.93 0.04 -0.07 -0.87 0.00 0.00 176.83 176.68 3abk h LEU 47 N 0.72 -0.13 -0.74 5.97 3.38 0.17 0.32 115.31 125.00 3abk h LEU 47 Ca 0.14 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.32 3abk h LEU 47 Cb 0.49 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 3abk h LEU 47 CO 0.02 -0.03 0.37 0.22 0.09 0.00 0.00 178.44 179.11 3abk h TYR 48 N 0.16 0.66 -0.13 1.13 3.20 -0.48 0.51 116.97 122.03 3abk h TYR 48 Ca 0.25 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 3abk h TYR 48 Cb 0.37 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3abk h TYR 48 CO -0.28 0.22 -0.16 0.00 -1.64 0.00 0.00 178.16 176.31 3abk h LEU 50 N 0.20 -0.27 -0.24 0.00 6.46 0.51 0.74 115.31 122.71 3abk h LEU 50 Ca 0.04 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 3abk h LEU 50 Cb 0.41 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 3abk h LEU 50 CO 0.03 0.00 0.01 1.23 -0.62 0.00 0.00 178.44 179.08 3abk h GLY 51 N -0.55 0.24 -0.12 3.75 0.00 -0.54 0.59 103.07 106.44 3abk h GLY 51 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.41 3abk h GLY 51 CO 0.05 -0.04 -0.27 -0.25 0.00 0.00 0.00 176.54 176.03 3abk h TRP 52 N 0.08 -0.71 0.00 5.60 7.01 -1.07 -2.70 115.95 124.16 3abk h TRP 52 Ca 0.12 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.17 3abk h TRP 52 Cb 0.14 0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 3abk h TRP 52 CO -0.19 -0.34 0.00 0.00 -2.79 0.00 0.00 178.44 175.12 3abk n ALA 53 N -2.97 2.17 1.04 2.65 0.00 0.25 -3.32 120.51 120.33 3abk n ALA 53 Ca 0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3abk n ALA 53 Cb 0.32 -1.41 0.58 0.00 0.00 0.00 0.00 19.45 18.94 3abk n ALA 53 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3abk n SER 54 N -1.48 0.00 -4.18 0.00 7.64 0.05 -4.80 113.62 110.85 3abk n SER 54 Ca 0.07 0.15 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 3abk n SER 54 Cb 0.29 -0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 63.00 3abk n SER 54 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3abk s PHE 55 N -2.73 1.34 0.72 1.43 0.08 -1.21 -5.11 117.98 112.49 3abk s PHE 55 Ca 0.19 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 3abk s PHE 55 Cb 0.16 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.87 3abk s PHE 55 CO 0.40 0.07 1.10 -2.14 -0.10 0.00 0.00 175.22 174.54 3abk s PRO 56 N -1.42 2.54 0.00 0.24 0.02 -1.26 -5.02 135.00 130.10 3abk s PRO 56 Ca 0.01 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.29 3abk s PRO 56 Cb -0.09 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3abk s PRO 56 CO 0.02 -1.44 0.37 0.72 -0.33 0.00 0.00 177.00 176.35 3abk n HIS 57 N -2.99 0.00 -0.21 6.54 8.25 -1.26 -5.15 115.22 120.40 3abk n HIS 57 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3abk n HIS 57 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3abk n HIS 57 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61