#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gut n ALA 3 N 0.00 -2.88 -1.28 4.61 0.00 -1.26 -4.77 120.51 114.94 2gut n ALA 3 Ca 0.00 0.73 0.15 0.00 0.00 0.00 0.00 53.44 54.32 2gut n ALA 3 Cb 0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 2gut n ALA 3 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2gut n MET 4 N 0.12 -2.25 0.00 0.00 2.81 -1.26 -5.05 117.12 111.50 2gut n MET 4 Ca 0.04 1.48 0.00 0.00 -1.81 0.00 0.00 57.70 57.41 2gut n MET 4 Cb 0.40 -2.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 2gut n MET 4 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gut n GLY 5 N -3.30 1.49 3.15 3.03 0.00 -1.26 -5.15 105.19 103.15 2gut n GLY 5 Ca 0.01 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.31 2gut n GLY 5 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gut s GLN 6 N -2.00 0.20 0.36 1.61 -0.21 -1.26 -5.18 119.66 113.18 2gut s GLN 6 Ca 0.00 0.26 -0.17 0.00 0.02 0.00 0.00 55.36 55.48 2gut s GLN 6 Cb 0.00 0.14 0.05 0.00 1.00 0.00 0.00 33.01 34.19 2gut s GLN 6 CO 0.00 -0.30 0.77 -2.00 -2.12 0.00 0.00 175.29 171.64 2gut s GLU 7 N 2.94 2.13 -0.31 2.91 2.12 -1.26 -5.03 118.70 122.20 2gut s GLU 7 Ca 0.14 -1.34 0.07 0.00 0.36 0.00 0.00 54.97 54.20 2gut s GLU 7 Cb -0.06 0.62 0.62 0.00 0.26 0.00 0.00 34.13 35.57 2gut s GLU 7 CO -0.18 -0.99 1.70 2.41 -0.54 0.00 0.00 175.26 177.66 2gut n THR 8 N -0.51 2.69 -3.36 -1.70 -1.04 -1.26 -4.59 114.28 104.51 2gut n THR 8 Ca -0.07 -1.47 -0.27 0.00 -2.04 0.00 0.00 64.05 60.20 2gut n THR 8 Cb 0.60 -0.46 -0.07 0.00 -1.82 0.00 0.00 70.33 68.57 2gut n THR 8 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2gut n ASP 9 N -0.36 3.76 0.04 8.00 9.92 -1.26 -4.86 116.55 131.80 2gut n ASP 9 Ca 0.41 -3.46 0.08 0.00 -0.53 0.00 0.00 54.79 51.29 2gut n ASP 9 Cb 1.34 -0.66 0.36 0.00 -0.64 0.00 0.00 41.12 41.52 2gut n ASP 9 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 2gut n TRP 10 N 0.72 0.27 0.87 1.24 4.27 -1.26 -1.83 117.44 121.72 2gut n TRP 10 Ca 0.30 0.11 0.13 0.00 -3.89 0.00 0.00 57.50 54.15 2gut n TRP 10 Cb 0.41 -0.67 0.44 0.00 -1.36 0.00 0.00 31.31 30.13 2gut n TRP 10 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2gut n ARG 11 N -1.75 0.09 -1.67 -2.67 1.74 -1.26 -4.10 116.66 107.04 2gut n ARG 11 Ca 0.03 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 2gut n ARG 11 Cb 0.18 -1.59 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 2gut n ARG 11 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2gut n SER 12 N -1.73 2.07 -0.14 0.55 2.88 -0.76 -4.79 113.62 111.70 2gut n SER 12 Ca 0.06 1.07 -0.04 0.00 -1.33 0.00 0.00 58.87 58.63 2gut n SER 12 Cb 0.37 -1.45 0.04 0.00 -0.75 0.00 0.00 64.21 62.42 2gut n SER 12 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2gut h THR 13 N 1.83 0.66 -0.26 2.46 2.02 -1.90 -2.01 112.91 115.70 2gut h THR 13 Ca -0.47 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 66.73 2gut h THR 13 Cb 1.31 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 2gut h THR 13 CO 0.58 0.02 -0.10 0.00 0.37 0.00 0.00 175.52 176.39 2gut h ALA 14 N 1.39 0.12 0.04 6.16 0.00 -1.96 0.50 119.26 125.51 2gut h ALA 14 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2gut h ALA 14 Cb 0.32 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2gut h ALA 14 CO -0.37 -0.51 -0.11 0.35 0.00 0.00 0.00 179.25 178.61 2gut h PHE 15 N -0.06 -0.32 -0.53 0.00 3.04 -1.68 0.20 116.94 117.59 2gut h PHE 15 Ca 0.13 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.18 2gut h PHE 15 Cb 0.26 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.83 2gut h PHE 15 CO -0.29 -0.13 0.15 -0.09 -2.02 0.00 0.00 178.31 175.93 2gut h ARG 16 N -0.17 0.30 0.14 1.11 2.43 -1.34 -1.67 114.38 115.17 2gut h ARG 16 Ca -0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2gut h ARG 16 Cb 0.17 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2gut h ARG 16 CO -0.05 0.20 -0.52 0.37 -1.51 0.00 0.00 179.97 178.45 2gut h GLN 17 N 0.30 -0.73 -0.50 0.20 -0.00 0.25 0.29 115.11 114.93 2gut h GLN 17 Ca 0.27 0.05 0.10 0.00 -0.00 0.00 0.00 58.65 59.06 2gut h GLN 17 Cb 0.34 0.17 -0.09 0.00 0.00 0.00 0.00 27.48 27.90 2gut h GLN 17 CO -0.31 -0.49 -0.03 0.87 0.00 0.00 0.00 178.83 178.87 2gut h LYS 18 N -0.76 0.08 -0.50 1.69 1.57 -0.28 -1.20 116.57 117.17 2gut h LYS 18 Ca -0.01 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2gut h LYS 18 Cb 0.76 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 2gut h LYS 18 CO -0.28 0.05 0.28 -0.07 -0.57 0.00 0.00 179.45 178.86 2gut h LEU 19 N 0.08 0.42 -0.73 2.94 -0.00 -0.74 -2.26 115.31 115.03 2gut h LEU 19 Ca 0.25 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.28 2gut h LEU 19 Cb 0.38 -0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.88 2gut h LEU 19 CO -0.44 0.30 0.29 0.58 -0.00 0.00 0.00 178.44 179.16 2gut h VAL 20 N 0.55 0.68 -0.30 1.22 2.07 0.76 -1.31 116.25 119.92 2gut h VAL 20 Ca 0.21 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2gut h VAL 20 Cb 0.07 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2gut h VAL 20 CO -0.12 0.08 0.16 -1.28 0.02 0.00 0.00 177.57 176.43 2gut h SER 21 N 0.44 0.38 -0.35 0.57 0.87 -0.85 -1.95 113.55 112.66 2gut h SER 21 Ca 0.39 -0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 2gut h SER 21 Cb 0.57 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2gut h SER 21 CO -0.38 0.37 -0.05 1.56 -0.53 0.00 0.00 176.83 177.79 2gut h GLN 22 N 0.36 0.04 -0.54 2.24 1.08 -0.82 0.30 115.11 117.77 2gut h GLN 22 Ca 0.10 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2gut h GLN 22 Cb 0.08 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2gut h GLN 22 CO -0.02 0.03 0.30 0.82 -0.95 0.00 0.00 178.83 179.01 2gut h ILE 23 N 0.04 1.17 -0.09 2.54 2.04 -1.17 0.13 117.51 122.17 2gut h ILE 23 Ca 0.17 -0.42 -0.17 0.00 1.00 0.00 0.00 64.86 65.44 2gut h ILE 23 Cb 0.25 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2gut h ILE 23 CO -0.33 0.18 -0.67 -0.08 0.00 0.00 0.00 178.15 177.25 2gut h GLU 24 N 0.75 0.39 -0.08 2.37 4.22 -0.39 -2.36 114.58 119.48 2gut h GLU 24 Ca 0.19 -0.29 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 2gut h GLU 24 Cb 0.02 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2gut h GLU 24 CO -0.03 0.92 -0.20 0.22 -2.18 0.00 0.00 179.01 177.74 2gut h ASP 25 N 0.27 0.32 -0.54 1.04 1.82 0.20 -2.33 116.42 117.21 2gut h ASP 25 Ca -0.02 -0.58 -0.00 0.00 -0.39 0.00 0.00 57.03 56.04 2gut h ASP 25 Cb 1.23 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 41.12 2gut h ASP 25 CO 0.11 0.85 0.34 0.00 -1.61 0.00 0.00 179.24 178.93 2gut h ALA 26 N 0.48 0.69 -0.31 -0.78 0.00 -1.04 -2.50 119.26 115.81 2gut h ALA 26 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2gut h ALA 26 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2gut h ALA 26 CO 0.04 0.17 0.17 1.98 0.00 0.00 0.00 179.25 181.61 2gut h MET 27 N 0.73 0.43 0.04 0.00 4.05 -1.47 0.28 114.93 119.00 2gut h MET 27 Ca 0.20 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2gut h MET 27 Cb -0.03 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.64 2gut h MET 27 CO -0.04 0.38 -0.41 -0.09 0.23 0.00 0.00 176.91 176.98 2gut h ARG 28 N 0.38 -0.57 0.00 0.39 2.43 -1.18 -0.71 114.38 115.11 2gut h ARG 28 Ca 0.11 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2gut h ARG 28 Cb 0.07 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2gut h ARG 28 CO -0.02 -0.38 -0.23 0.87 -1.51 0.00 0.00 179.97 178.70 2gut h LYS 29 N -0.59 0.00 0.00 0.20 1.57 -1.39 -2.61 116.57 113.75 2gut h LYS 29 Ca 0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2gut h LYS 29 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2gut h LYS 29 CO -0.29 0.23 -0.28 0.00 -0.57 0.00 0.00 179.45 178.54 2gut h ALA 30 N 1.77 1.35 -3.88 3.86 0.00 0.91 -3.47 119.26 119.80 2gut h ALA 30 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2gut h ALA 30 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2gut h ALA 30 CO 0.03 0.35 -0.07 0.41 0.00 0.00 0.00 179.25 179.97 2gut n GLY 31 N -0.51 -0.76 3.02 0.00 0.00 -0.41 -4.30 105.19 102.24 2gut n GLY 31 Ca -0.02 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2gut n GLY 31 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gut n VAL 32 N -0.97 0.00 -2.67 1.61 0.24 -1.25 -5.02 118.33 110.27 2gut n VAL 32 Ca 0.02 -1.97 -0.02 0.00 -2.04 0.00 0.00 64.34 60.32 2gut n VAL 32 Cb 0.38 1.07 0.03 0.00 -1.47 0.00 0.00 33.84 33.85 2gut n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gut s ALA 33 N -3.00 -4.71 0.37 2.33 0.00 -1.26 -4.98 121.76 110.52 2gut s ALA 33 Ca 0.32 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 2gut s ALA 33 Cb 0.01 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.15 2gut s ALA 33 CO 0.23 -2.55 0.68 0.72 0.00 0.00 0.00 175.76 174.83 2gut n HIS 34 N 2.74 -2.04 0.00 0.00 8.25 -1.26 -5.01 115.22 117.90 2gut n HIS 34 Ca 0.10 -1.99 0.00 0.00 -0.26 0.00 0.00 57.72 55.56 2gut n HIS 34 Cb 0.65 0.79 0.00 0.00 1.12 0.00 0.00 29.99 32.55 2gut n HIS 34 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2gut n SER 35 N -1.55 0.00 0.00 0.41 7.64 -1.26 -4.24 113.62 114.62 2gut n SER 35 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2gut n SER 35 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2gut n SER 35 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2gut n LYS 36 N 0.00 0.00 -3.62 1.43 0.00 -1.26 -5.11 118.16 109.60 2gut n LYS 36 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.29 2gut n LYS 36 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 2gut n LYS 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2gut s SER 37 N -1.12 -0.04 0.20 3.14 0.15 -1.26 -4.99 113.70 109.77 2gut s SER 37 Ca 0.00 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 2gut s SER 37 Cb 0.00 0.05 0.22 0.00 -1.71 0.00 0.00 66.02 64.59 2gut s SER 37 CO 0.00 -0.09 1.68 -1.28 1.20 0.00 0.00 173.24 174.75 2gut h SER 38 N 2.00 -0.22 -0.35 5.45 0.87 -1.94 0.32 113.55 119.69 2gut h SER 38 Ca -0.08 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2gut h SER 38 Cb 1.14 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 63.27 2gut h SER 38 CO 0.21 -0.08 0.02 0.11 -0.53 0.00 0.00 176.83 176.56 2gut h LYS 39 N 0.12 0.11 -0.44 2.24 1.57 -1.96 0.98 116.57 119.19 2gut h LYS 39 Ca 0.27 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2gut h LYS 39 Cb 0.42 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2gut h LYS 39 CO -0.45 0.08 -0.09 -0.44 -0.57 0.00 0.00 179.45 177.98 2gut h ASP 40 N 0.12 0.77 0.08 0.86 5.19 -1.65 -2.45 116.42 119.33 2gut h ASP 40 Ca 0.17 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2gut h ASP 40 Cb 0.23 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2gut h ASP 40 CO -0.27 0.89 -0.04 0.24 -3.12 0.00 0.00 179.24 176.94 2gut h MET 41 N 0.71 -0.10 -0.16 3.56 2.86 0.49 -2.36 114.93 119.93 2gut h MET 41 Ca 0.13 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2gut h MET 41 Cb 0.56 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2gut h MET 41 CO 0.03 0.06 -0.05 1.49 1.06 0.00 0.00 176.91 179.50 2gut h GLU 42 N -0.25 -0.02 -0.65 1.72 4.22 -0.78 -2.00 114.58 116.82 2gut h GLU 42 Ca -0.01 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.55 2gut h GLU 42 Cb 0.21 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 2gut h GLU 42 CO 0.02 -0.01 0.17 1.03 -2.18 0.00 0.00 179.01 178.04 2gut h SER 43 N -0.02 0.07 -0.96 1.04 0.87 -1.38 0.47 113.55 113.64 2gut h SER 43 Ca 0.08 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2gut h SER 43 Cb 0.14 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 2gut h SER 43 CO -0.18 0.03 0.63 -0.74 -0.53 0.00 0.00 176.83 176.05 2gut h HIS 44 N 0.31 1.20 -0.50 2.24 -0.00 -0.89 -2.03 115.15 115.48 2gut h HIS 44 Ca 0.34 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.62 2gut h HIS 44 Cb 0.52 -0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2gut h HIS 44 CO -0.23 0.75 -0.17 0.28 -0.00 0.00 0.00 177.93 178.56 2gut h VAL 45 N 1.29 1.27 -0.09 5.26 2.07 -0.30 -0.88 116.25 124.87 2gut h VAL 45 Ca 0.35 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2gut h VAL 45 Cb -0.13 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2gut h VAL 45 CO -0.08 0.46 0.06 0.15 0.02 0.00 0.00 177.57 178.17 2gut h PHE 46 N 0.86 0.11 0.00 1.57 3.57 -0.45 0.27 116.94 122.88 2gut h PHE 46 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2gut h PHE 46 Cb 0.73 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2gut h PHE 46 CO 0.05 0.10 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.91 2gut h LEU 47 N 0.10 0.00 0.00 0.59 3.38 -1.35 -2.69 115.31 115.34 2gut h LEU 47 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2gut h LEU 47 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2gut h LEU 47 CO -0.01 0.24 -0.42 0.50 0.09 0.00 0.00 178.44 178.85 2gut h LYS 48 N 0.00 0.00 -6.38 1.13 3.64 -0.59 -3.45 116.57 110.92 2gut h LYS 48 Ca -0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2gut h LYS 48 Cb 0.73 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 2gut h LYS 48 CO 0.03 0.09 -0.07 0.00 -2.27 0.00 0.00 179.45 177.23 2gut s ALA 49 N -3.20 3.55 -0.10 5.00 0.00 0.91 -4.99 121.76 122.92 2gut s ALA 49 Ca 0.04 -0.13 0.18 0.00 0.00 0.00 0.00 51.96 52.05 2gut s ALA 49 Cb 0.07 -2.54 -0.26 0.00 0.00 0.00 0.00 23.12 20.39 2gut s ALA 49 CO 0.72 0.45 0.24 1.63 0.00 0.00 0.00 175.76 178.80 2gut n LYS 50 N 0.59 0.82 -4.11 0.00 5.02 -1.26 -4.92 118.16 114.29 2gut n LYS 50 Ca -0.04 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 2gut n LYS 50 Cb 0.52 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 2gut n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2gut s THR 51 N -2.89 0.06 0.57 -0.18 -4.23 -1.26 -5.02 115.64 102.70 2gut s THR 51 Ca -0.08 -1.79 0.28 0.00 -1.18 0.00 0.00 61.69 58.92 2gut s THR 51 Cb 0.09 -2.13 0.38 0.00 1.34 0.00 0.00 72.50 72.18 2gut s THR 51 CO 0.78 -0.28 2.00 0.08 -0.54 0.00 0.00 174.62 176.66 2gut h ARG 52 N 2.69 0.00 0.04 3.99 0.11 -1.97 -1.61 114.38 117.63 2gut h ARG 52 Ca -0.34 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.74 2gut h ARG 52 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2gut h ARG 52 CO 0.54 0.00 -0.02 0.22 0.10 0.00 0.00 179.97 180.81 2gut h ASP 53 N 0.00 -0.04 -0.42 0.08 1.82 -1.98 -2.27 116.42 113.60 2gut h ASP 53 Ca 0.18 -0.62 0.08 0.00 -0.39 0.00 0.00 57.03 56.29 2gut h ASP 53 Cb 0.89 0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.83 2gut h ASP 53 CO -0.00 0.64 -0.11 -0.08 -1.61 0.00 0.00 179.24 178.07 2gut h GLU 54 N -0.76 -0.00 0.84 0.28 4.81 -1.71 0.25 114.58 118.29 2gut h GLU 54 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2gut h GLU 54 Cb 0.66 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.05 2gut h GLU 54 CO 0.01 -0.00 -0.40 -0.92 -0.73 0.00 0.00 179.01 176.96 2gut h TYR 55 N -0.00 -1.04 -0.94 0.92 3.20 -1.54 -0.62 116.97 116.94 2gut h TYR 55 Ca 0.20 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.30 2gut h TYR 55 Cb 0.31 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 2gut h TYR 55 CO -0.37 -0.64 0.65 -0.07 -1.64 0.00 0.00 178.16 176.08 2gut h LEU 56 N -1.24 0.20 0.23 2.82 3.38 -1.15 0.23 115.31 119.79 2gut h LEU 56 Ca -0.11 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2gut h LEU 56 Cb 0.87 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2gut h LEU 56 CO 0.19 0.07 -0.11 -1.28 0.09 0.00 0.00 178.44 177.39 2gut h SER 57 N 0.19 -0.26 -0.26 -0.43 0.87 -0.22 -2.38 113.55 111.07 2gut h SER 57 Ca 0.48 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 2gut h SER 57 Cb 1.55 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 2gut h SER 57 CO -0.11 0.24 0.13 -0.07 -0.53 0.00 0.00 176.83 176.49 2gut h LEU 58 N -0.89 0.20 0.18 2.23 3.38 -0.13 -2.05 115.31 118.23 2gut h LEU 58 Ca -0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gut h LEU 58 Cb 0.51 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2gut h LEU 58 CO 0.05 0.15 -0.36 0.58 0.09 0.00 0.00 178.44 178.95 2gut h VAL 59 N 0.28 0.25 -0.24 1.22 2.07 -0.68 -1.37 116.25 117.78 2gut h VAL 59 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 2gut h VAL 59 Cb 0.02 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 2gut h VAL 59 CO -0.07 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.20 2gut h ALA 60 N -0.07 -0.30 -0.92 1.67 0.00 -1.29 -0.06 119.26 118.28 2gut h ALA 60 Ca 0.02 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2gut h ALA 60 Cb 0.63 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 2gut h ALA 60 CO -0.18 -0.77 0.50 0.00 0.00 0.00 0.00 179.25 178.80 2gut h ARG 61 N -0.34 0.62 0.43 0.00 3.08 -1.12 0.20 114.38 117.26 2gut h ARG 61 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2gut h ARG 61 Cb 0.54 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2gut h ARG 61 CO -0.43 0.41 -0.21 1.25 -1.07 0.00 0.00 179.97 179.93 2gut h LEU 62 N 0.64 -0.49 -0.28 3.04 6.46 0.03 -1.15 115.31 123.56 2gut h LEU 62 Ca 0.53 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.25 2gut h LEU 62 Cb 0.83 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.84 2gut h LEU 62 CO -0.40 -0.20 0.04 0.40 -0.62 0.00 0.00 178.44 177.65 2gut h ILE 63 N -0.77 0.84 -0.46 4.05 2.04 -0.34 -1.88 117.51 120.99 2gut h ILE 63 Ca -0.06 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2gut h ILE 63 Cb 0.53 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2gut h ILE 63 CO 0.10 0.02 0.18 0.40 0.00 0.00 0.00 178.15 178.85 2gut h ILE 64 N 0.13 0.87 -0.60 -0.67 2.04 -0.62 -1.10 117.51 117.57 2gut h ILE 64 Ca 0.13 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2gut h ILE 64 Cb 0.15 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2gut h ILE 64 CO -0.19 0.07 0.40 -0.74 0.00 0.00 0.00 178.15 177.68 2gut h HIS 65 N 0.36 0.60 -0.27 1.37 2.76 -0.71 -1.82 115.15 117.44 2gut h HIS 65 Ca 0.21 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2gut h HIS 65 Cb 0.20 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2gut h HIS 65 CO -0.15 0.33 -0.07 0.74 -1.30 0.00 0.00 177.93 177.48 2gut h PHE 66 N 0.60 0.59 -0.67 5.26 0.04 -0.43 -2.05 116.94 120.28 2gut h PHE 66 Ca 0.25 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 2gut h PHE 66 Cb 0.24 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2gut h PHE 66 CO -0.00 0.74 0.37 0.00 -0.60 0.00 0.00 178.31 178.82 2gut h ARG 67 N 0.27 0.92 -0.02 1.51 3.08 -0.66 -2.48 114.38 116.99 2gut h ARG 67 Ca 0.07 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2gut h ARG 67 Cb 0.55 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2gut h ARG 67 CO 0.03 0.67 -0.00 -0.44 -1.07 0.00 0.00 179.97 179.15 2gut h ASP 68 N 0.93 0.04 -0.57 7.04 3.32 -1.24 0.23 116.42 126.17 2gut h ASP 68 Ca 0.24 -0.36 0.11 0.00 0.02 0.00 0.00 57.03 57.04 2gut h ASP 68 Cb 0.01 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.47 2gut h ASP 68 CO -0.04 0.39 0.07 0.40 -1.72 0.00 0.00 179.24 178.33 2gut h ILE 69 N -0.31 0.61 0.00 0.35 2.04 -1.13 0.18 117.51 119.24 2gut h ILE 69 Ca 0.01 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 2gut h ILE 69 Cb 0.37 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2gut h ILE 69 CO 0.00 0.03 -0.48 -0.74 0.00 0.00 0.00 178.15 176.96 2gut h HIS 70 N 0.19 0.00 0.00 1.37 2.76 -1.43 -3.14 115.15 114.90 2gut h HIS 70 Ca 0.29 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 2gut h HIS 70 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2gut h HIS 70 CO -0.28 0.48 -0.27 -0.97 -1.30 0.00 0.00 177.93 175.59 2gut h ASN 71 N 0.00 0.00 0.00 3.26 -0.00 0.14 -3.46 115.58 115.52 2gut h ASN 71 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2gut h ASN 71 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 2gut h ASN 71 CO 0.06 0.27 0.00 0.29 -0.00 0.00 0.00 177.43 178.05 2gut n LYS 72 N -4.17 0.00 -1.30 6.67 5.02 -0.54 -4.93 118.16 118.91 2gut n LYS 72 Ca -0.02 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.45 2gut n LYS 72 Cb 0.32 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.28 2gut n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gut n LYS 73 N 0.00 -2.62 -0.04 1.97 4.81 -1.26 -4.35 118.16 116.66 2gut n LYS 73 Ca 0.00 1.73 -0.15 0.00 -0.87 0.00 0.00 58.31 59.02 2gut n LYS 73 Cb 0.00 -3.20 -0.13 0.00 0.02 0.00 0.00 35.03 31.72 2gut n LYS 73 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2gut h SER 74 N -1.21 0.10 -3.70 3.14 4.64 -2.01 -3.43 113.55 111.08 2gut h SER 74 Ca 0.03 -0.90 -0.67 0.00 -0.47 0.00 0.00 61.79 59.77 2gut h SER 74 Cb 1.19 -0.03 -0.36 0.00 -0.31 0.00 0.00 62.40 62.88 2gut h SER 74 CO 0.01 0.99 -0.81 -1.58 -0.87 0.00 0.00 176.83 174.57 2gut s GLN 75 N -2.61 2.41 -0.41 4.77 2.00 -1.26 -5.04 119.66 119.52 2gut s GLN 75 Ca -0.17 -1.24 0.04 0.00 -2.00 0.00 0.00 55.36 51.99 2gut s GLN 75 Cb -0.01 -2.83 0.17 0.00 0.80 0.00 0.00 33.01 31.13 2gut s GLN 75 CO 0.71 -0.49 0.44 0.00 -0.50 0.00 0.00 175.29 175.45 2gut s ALA 76 N 1.15 -0.37 0.01 1.58 0.00 -1.26 -5.11 121.76 117.76 2gut s ALA 76 Ca -0.06 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.74 2gut s ALA 76 Cb -0.19 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2gut s ALA 76 CO -0.07 -2.13 -0.09 -1.12 0.00 0.00 0.00 175.76 172.36 2gut s SER 77 N 1.04 1.01 0.00 0.00 0.01 -1.26 -5.06 113.70 109.44 2gut s SER 77 Ca 0.23 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2gut s SER 77 Cb -0.08 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2gut s SER 77 CO -0.07 0.02 0.00 1.33 0.41 0.00 0.00 173.24 174.94