#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnp n SER 2 N 0.00 0.81 -2.28 0.00 7.64 -1.26 -5.05 113.62 113.48 1tnp n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1tnp n SER 2 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1tnp n SER 2 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1tnp n MET 3 N 0.00 3.21 -0.22 1.43 3.85 -1.26 -4.77 117.12 119.37 1tnp n MET 3 Ca 0.00 -3.88 0.31 0.00 -1.00 0.00 0.00 57.70 53.13 1tnp n MET 3 Cb 0.00 -2.28 0.72 0.00 -1.05 0.00 0.00 33.22 30.61 1tnp n MET 3 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1tnp h THR 4 N 1.86 0.36 -0.81 3.17 2.02 -2.08 -3.03 112.91 114.40 1tnp h THR 4 Ca 0.46 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 67.29 1tnp h THR 4 Cb 1.06 0.42 -0.25 0.00 -1.74 0.00 0.00 68.15 67.65 1tnp h THR 4 CO 1.11 0.00 -0.74 -0.90 0.37 0.00 0.00 175.52 175.35 1tnp n ASP 5 N -3.99 -1.22 0.12 4.18 5.68 -1.26 -4.95 116.55 115.12 1tnp n ASP 5 Ca 0.21 -3.34 -0.02 0.00 -0.50 0.00 0.00 54.79 51.14 1tnp n ASP 5 Cb 1.13 0.89 0.15 0.00 -1.14 0.00 0.00 41.12 42.15 1tnp n ASP 5 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1tnp h GLN 6 N 3.25 0.06 -0.54 0.11 4.20 -1.88 -3.32 115.11 116.99 1tnp h GLN 6 Ca -0.03 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.75 1tnp h GLN 6 Cb 1.03 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.71 1tnp h GLN 6 CO 0.31 0.66 -0.22 -0.56 -0.67 0.00 0.00 178.83 178.35 1tnp h GLN 7 N 0.04 -0.09 -0.06 1.46 3.07 -1.92 -1.07 115.11 116.54 1tnp h GLN 7 Ca -0.01 0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.57 1tnp h GLN 7 Cb 1.11 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.68 1tnp h GLN 7 CO 0.08 -0.06 -0.69 0.00 0.09 0.00 0.00 178.83 178.26 1tnp h ALA 8 N 1.30 0.71 -0.52 0.06 0.00 -1.97 -3.21 119.26 115.62 1tnp h ALA 8 Ca 0.25 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1tnp h ALA 8 Cb 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1tnp h ALA 8 CO -0.60 0.77 0.30 1.49 0.00 0.00 0.00 179.25 181.21 1tnp h GLU 9 N 0.20 0.70 -0.06 0.00 4.57 -1.30 -2.69 114.58 115.99 1tnp h GLU 9 Ca -0.02 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1tnp h GLU 9 Cb 1.24 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1tnp h GLU 9 CO 0.11 0.50 0.00 0.00 -1.18 0.00 0.00 179.01 178.45 1tnp h ALA 10 N 1.62 0.09 -0.20 2.92 0.00 -1.45 -3.08 119.26 119.16 1tnp h ALA 10 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1tnp h ALA 10 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1tnp h ALA 10 CO -0.03 -0.25 -0.18 0.07 0.00 0.00 0.00 179.25 178.85 1tnp h ARG 11 N -0.16 0.34 -1.26 0.00 0.11 -1.64 -2.90 114.38 108.87 1tnp h ARG 11 Ca 0.02 -0.10 0.37 0.00 0.10 0.00 0.00 59.98 60.36 1tnp h ARG 11 Cb 0.31 -0.04 -0.08 0.00 1.11 0.00 0.00 29.97 31.28 1tnp h ARG 11 CO 0.00 0.52 0.86 0.00 0.10 0.00 0.00 179.97 181.46 1tnp h ALA 12 N 1.50 2.87 0.15 0.08 0.00 -1.39 -0.10 119.26 122.38 1tnp h ALA 12 Ca 0.06 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 1tnp h ALA 12 Cb 0.51 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1tnp h ALA 12 CO 0.03 -1.32 -1.67 0.35 0.00 0.00 0.00 179.25 176.65 1tnp h PHE 13 N 0.13 0.57 -3.05 0.00 3.57 -1.65 -3.46 116.94 113.06 1tnp h PHE 13 Ca 0.67 -0.42 -0.53 0.00 3.53 0.00 0.00 57.97 61.22 1tnp h PHE 13 Cb 2.28 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 41.01 1tnp h PHE 13 CO -0.00 1.65 0.68 -0.51 -2.23 0.00 0.00 178.31 177.91 1tnp s LEU 14 N -7.35 4.36 1.04 0.59 1.43 -0.05 -5.00 118.68 113.69 1tnp s LEU 14 Ca -0.19 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 1tnp s LEU 14 Cb 0.05 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.83 1tnp s LEU 14 CO 0.80 -0.60 0.62 -0.24 0.23 0.00 0.00 176.35 177.17 1tnp n SER 15 N 4.09 -1.51 -0.07 2.29 2.88 -1.26 -4.85 113.62 115.19 1tnp n SER 15 Ca 0.11 0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 1tnp n SER 15 Cb 0.44 -1.22 0.03 0.00 -0.75 0.00 0.00 64.21 62.70 1tnp n SER 15 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1tnp h GLU 16 N -2.03 0.78 0.10 -1.46 4.39 -1.94 -2.94 114.58 111.48 1tnp h GLU 16 Ca -0.50 -0.41 -0.28 0.00 0.34 0.00 0.00 59.36 58.51 1tnp h GLU 16 Cb 1.31 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 1tnp h GLU 16 CO 0.40 1.04 -1.36 1.49 -1.16 0.00 0.00 179.01 179.42 1tnp h GLU 17 N 0.64 0.20 -0.53 2.33 4.57 -2.03 -3.28 114.58 116.48 1tnp h GLU 17 Ca 0.05 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1tnp h GLU 17 Cb 0.96 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 1tnp h GLU 17 CO 0.09 1.09 0.35 1.98 -1.18 0.00 0.00 179.01 181.34 1tnp h MET 18 N 0.06 0.62 -0.41 1.92 4.05 -1.91 -2.18 114.93 117.08 1tnp h MET 18 Ca -0.17 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1tnp h MET 18 Cb 1.96 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 32.58 1tnp h MET 18 CO 0.17 0.41 0.17 0.82 0.23 0.00 0.00 176.91 178.71 1tnp h ILE 19 N 0.64 0.92 -0.84 1.77 1.08 -1.58 -1.85 117.51 117.66 1tnp h ILE 19 Ca 0.21 -0.12 0.19 0.00 -0.39 0.00 0.00 64.86 64.75 1tnp h ILE 19 Cb 0.04 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 1tnp h ILE 19 CO -0.05 0.06 0.56 0.00 -0.69 0.00 0.00 178.15 178.03 1tnp h ALA 20 N 1.24 2.27 -0.29 1.87 0.00 -1.55 -0.99 119.26 121.81 1tnp h ALA 20 Ca 0.18 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1tnp h ALA 20 Cb 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1tnp h ALA 20 CO -0.16 -0.52 -0.23 0.93 0.00 0.00 0.00 179.25 179.27 1tnp h GLU 21 N 0.34 0.66 -0.86 0.00 4.39 -1.42 -3.12 114.58 114.58 1tnp h GLU 21 Ca 0.42 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1tnp h GLU 21 Cb 1.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1tnp h GLU 21 CO -0.13 0.93 0.52 0.74 -1.16 0.00 0.00 179.01 179.91 1tnp h PHE 22 N 0.40 1.13 -0.62 4.33 0.04 -1.13 -2.64 116.94 118.45 1tnp h PHE 22 Ca 0.05 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.85 1tnp h PHE 22 Cb 0.79 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 1tnp h PHE 22 CO 0.07 0.75 0.38 -0.22 -0.60 0.00 0.00 178.31 178.69 1tnp h LYS 23 N 1.18 0.73 -0.53 1.51 1.63 -1.45 -2.81 116.57 116.83 1tnp h LYS 23 Ca 0.31 -0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.17 1tnp h LYS 23 Cb -0.05 -0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 31.33 1tnp h LYS 23 CO -0.06 0.48 0.03 0.00 -3.45 0.00 0.00 179.45 176.46 1tnp h ALA 24 N 1.27 0.54 -0.23 5.00 0.00 -1.41 -1.66 119.26 122.77 1tnp h ALA 24 Ca 0.25 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 1tnp h ALA 24 Cb 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1tnp h ALA 24 CO -0.10 -0.37 -0.34 0.00 0.00 0.00 0.00 179.25 178.45 1tnp h ALA 25 N 1.46 0.98 -0.26 0.00 0.00 -1.55 -2.98 119.26 116.92 1tnp h ALA 25 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1tnp h ALA 25 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1tnp h ALA 25 CO -0.42 0.60 -0.11 0.35 0.00 0.00 0.00 179.25 179.67 1tnp h PHE 26 N 0.42 0.45 0.00 0.00 3.04 -1.17 -2.38 116.94 117.30 1tnp h PHE 26 Ca 0.05 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1tnp h PHE 26 Cb 0.79 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 1tnp h PHE 26 CO 0.03 0.53 -0.17 -0.44 -2.02 0.00 0.00 178.31 176.24 1tnp h ASP 27 N 0.40 0.00 -0.70 0.41 3.32 -1.30 -3.11 116.42 115.44 1tnp h ASP 27 Ca 0.08 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1tnp h ASP 27 Cb 0.44 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 1tnp h ASP 27 CO 0.02 0.17 0.34 0.24 -1.72 0.00 0.00 179.24 178.30 1tnp h MET 28 N 0.00 0.57 -0.59 3.56 2.86 -1.49 -2.61 114.93 117.23 1tnp h MET 28 Ca -0.00 -0.03 -0.41 0.00 -2.06 0.00 0.00 59.70 57.20 1tnp h MET 28 Cb 0.56 -0.13 -0.28 0.00 0.06 0.00 0.00 31.60 31.82 1tnp h MET 28 CO 0.02 0.38 -0.36 1.19 1.06 0.00 0.00 176.91 179.19 1tnp n PHE 29 N -4.87 2.05 -3.46 -0.22 3.01 -1.18 -4.92 117.46 107.88 1tnp n PHE 29 Ca 0.11 -2.10 -0.43 0.00 1.01 0.00 0.00 57.45 56.04 1tnp n PHE 29 Cb 0.27 -0.52 -0.06 0.00 -0.01 0.00 0.00 39.48 39.15 1tnp n PHE 29 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1tnp s ASP 30 N -3.05 5.98 -0.05 4.37 -4.77 -0.99 -4.79 116.67 113.37 1tnp s ASP 30 Ca 0.50 -2.08 -0.02 0.00 -3.30 0.00 0.00 52.55 47.65 1tnp s ASP 30 Cb 0.42 -2.09 -0.27 0.00 -1.09 0.00 0.00 42.92 39.89 1tnp s ASP 30 CO 0.01 -0.70 0.65 0.00 0.70 0.00 0.00 175.17 175.82 1tnp h ALA 31 N 8.36 0.40 -3.00 2.11 0.00 -1.88 -3.48 119.26 121.77 1tnp h ALA 31 Ca -0.17 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1tnp h ALA 31 Cb 1.07 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1tnp h ALA 31 CO 0.89 1.26 0.00 -3.47 0.00 0.00 0.00 179.25 177.93 1tnp n ASP 32 N -3.41 0.00 0.00 0.00 2.03 -1.26 -5.08 116.55 108.83 1tnp n ASP 32 Ca -0.22 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1tnp n ASP 32 Cb 1.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 1tnp n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tnp n GLY 33 N 5.00 0.00 0.32 0.27 0.00 -1.26 -4.84 105.19 104.67 1tnp n GLY 33 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1tnp n GLY 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tnp h GLY 34 N 0.00 -1.27 0.00 -0.02 0.00 -2.02 -3.47 103.07 96.29 1tnp h GLY 34 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1tnp h GLY 34 CO 0.00 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.83 1tnp n GLY 35 N -1.28 0.22 3.33 4.60 0.00 -1.26 -5.13 105.19 105.67 1tnp n GLY 35 Ca -0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1tnp n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tnp s ASP 36 N 0.00 -0.29 0.11 1.61 -4.77 -1.26 -4.21 116.67 107.85 1tnp s ASP 36 Ca 0.00 -0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 1tnp s ASP 36 Cb 0.00 0.44 -0.04 0.00 -1.09 0.00 0.00 42.92 42.23 1tnp s ASP 36 CO 0.00 -0.69 -0.00 0.27 0.70 0.00 0.00 175.17 175.45 1tnp s ILE 37 N -2.62 0.36 0.83 2.11 -5.25 -1.02 -4.77 121.20 110.84 1tnp s ILE 37 Ca -0.04 -1.90 -0.13 0.00 -0.99 0.00 0.00 60.65 57.59 1tnp s ILE 37 Cb -0.01 -1.84 0.09 0.00 2.95 0.00 0.00 42.46 43.66 1tnp s ILE 37 CO -0.03 -0.70 1.15 -0.24 -1.79 0.00 0.00 174.94 173.33 1tnp n SER 38 N -0.05 0.76 0.08 4.36 2.88 -1.26 -2.72 113.62 117.67 1tnp n SER 38 Ca -0.09 0.55 -0.09 0.00 -1.33 0.00 0.00 58.87 57.91 1tnp n SER 38 Cb 0.62 -1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.53 1tnp n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tnp h THR 39 N -1.08 1.58 -0.11 2.46 1.03 -1.92 -2.42 112.91 112.44 1tnp h THR 39 Ca -0.46 -2.97 -0.18 0.00 -0.01 0.00 0.00 66.41 62.79 1tnp h THR 39 Cb 1.29 2.68 -0.00 0.00 -1.07 0.00 0.00 68.15 71.05 1tnp h THR 39 CO 0.45 0.86 -0.67 0.50 -0.01 0.00 0.00 175.52 176.65 1tnp h LYS 40 N 0.05 0.45 0.05 0.00 3.64 -1.93 -3.26 116.57 115.57 1tnp h LYS 40 Ca -0.05 -0.34 -0.29 0.00 -1.27 0.00 0.00 60.65 58.70 1tnp h LYS 40 Cb 1.67 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.51 1tnp h LYS 40 CO 0.14 0.96 -1.61 0.93 -2.27 0.00 0.00 179.45 177.60 1tnp h GLU 41 N 0.32 0.10 -1.16 1.90 4.39 -1.96 -3.37 114.58 114.81 1tnp h GLU 41 Ca -0.02 -0.17 0.38 0.00 0.34 0.00 0.00 59.36 59.90 1tnp h GLU 41 Cb 1.23 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 1tnp h GLU 41 CO 0.12 0.81 0.71 1.37 -1.16 0.00 0.00 179.01 180.86 1tnp h LEU 42 N 0.03 0.35 -0.10 1.33 8.10 -1.47 0.38 115.31 123.92 1tnp h LEU 42 Ca -0.26 0.16 -0.02 0.00 0.11 0.00 0.00 57.88 57.87 1tnp h LEU 42 Cb 1.98 0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 42.33 1tnp h LEU 42 CO 0.11 -0.17 -0.03 1.23 -4.11 0.00 0.00 178.44 175.48 1tnp h GLY 43 N 0.18 0.22 -0.50 0.17 0.00 -1.72 -2.58 103.07 98.83 1tnp h GLY 43 Ca 0.77 -0.18 0.36 0.00 0.00 0.00 0.00 47.33 48.28 1tnp h GLY 43 CO -0.50 0.16 0.87 -0.84 0.00 0.00 0.00 176.54 176.24 1tnp h THR 44 N -0.12 0.38 0.24 4.70 2.02 -0.46 0.40 112.91 120.07 1tnp h THR 44 Ca 0.03 -0.02 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1tnp h THR 44 Cb 0.44 0.31 0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1tnp h THR 44 CO 0.01 0.01 -1.47 -0.37 0.37 0.00 0.00 175.52 174.07 1tnp h VAL 45 N 0.07 1.29 -0.93 3.16 -1.51 -1.29 -2.39 116.25 114.65 1tnp h VAL 45 Ca 0.61 -2.73 0.25 0.00 -1.23 0.00 0.00 66.70 63.61 1tnp h VAL 45 Cb 2.28 3.03 -0.05 0.00 -2.13 0.00 0.00 31.29 34.43 1tnp h VAL 45 CO -0.07 0.82 0.65 -0.03 -1.23 0.00 0.00 177.57 177.71 1tnp h MET 46 N 0.14 0.13 0.08 5.19 4.05 0.17 -2.02 114.93 122.67 1tnp h MET 46 Ca -0.25 -0.01 -0.33 0.00 -0.28 0.00 0.00 59.70 58.83 1tnp h MET 46 Cb 2.16 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.90 1tnp h MET 46 CO 0.27 0.08 -1.81 -2.13 0.23 0.00 0.00 176.91 173.56 1tnp n ARG 47 N -4.35 0.69 0.00 0.39 0.63 -0.88 -3.93 116.66 109.21 1tnp n ARG 47 Ca 0.20 0.36 0.09 0.00 -0.92 0.00 0.00 57.85 57.57 1tnp n ARG 47 Cb 0.92 -1.71 0.52 0.00 0.45 0.00 0.00 32.46 32.64 1tnp n ARG 47 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1tnp n MET 48 N -3.80 0.88 -0.08 -0.14 1.56 -0.90 -2.27 117.12 112.36 1tnp n MET 48 Ca -0.33 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 56.97 1tnp n MET 48 Cb 0.92 -1.31 -0.15 0.00 2.15 0.00 0.00 33.22 34.84 1tnp n MET 48 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1tnp n LEU 49 N -0.81 1.04 0.00 -0.89 -0.00 -0.80 -5.01 117.00 110.53 1tnp n LEU 49 Ca 0.13 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1tnp n LEU 49 Cb 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1tnp n LEU 49 CO 0.10 0.60 0.00 0.61 -0.00 0.00 0.00 177.39 178.70 1tnp n GLY 50 N 1.84 -0.03 0.07 1.47 0.00 -0.96 -5.14 105.19 102.43 1tnp n GLY 50 Ca -0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 1tnp n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tnp n GLN 51 N 0.00 0.01 -2.84 1.61 1.13 -1.16 -5.00 117.38 111.14 1tnp n GLN 51 Ca 0.00 -0.06 -0.11 0.00 -1.94 0.00 0.00 57.00 54.89 1tnp n GLN 51 Cb 0.00 0.06 0.04 0.00 0.11 0.00 0.00 30.24 30.45 1tnp n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1tnp n ASN 52 N -2.24 -2.01 -2.78 1.08 2.85 -1.26 -4.87 115.26 106.03 1tnp n ASN 52 Ca 0.00 -3.32 0.00 0.00 -0.11 0.00 0.00 54.58 51.15 1tnp n ASN 52 Cb 0.01 1.33 0.00 0.00 1.24 0.00 0.00 39.78 42.37 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1tnp n PRO 53 N 1.11 0.86 -4.04 1.20 -0.04 -1.26 -5.12 135.00 127.72 1tnp n PRO 53 Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 1tnp n PRO 53 Cb 0.64 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.04 1tnp n PRO 53 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tnp s THR 54 N -0.13 2.87 -0.11 0.52 2.01 -1.26 -5.07 115.64 114.46 1tnp s THR 54 Ca 0.00 -1.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.19 1tnp s THR 54 Cb 0.00 -2.99 -0.26 0.00 0.01 0.00 0.00 72.50 69.26 1tnp s THR 54 CO 0.00 -0.13 0.53 0.11 -0.69 0.00 0.00 174.62 174.44 1tnp h LYS 55 N 1.46 0.21 -0.38 4.92 1.57 -2.00 -3.11 116.57 119.25 1tnp h LYS 55 Ca -0.43 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 57.90 1tnp h LYS 55 Cb 1.25 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 1tnp h LYS 55 CO 0.64 1.18 -0.10 0.93 -0.57 0.00 0.00 179.45 181.52 1tnp h GLU 56 N -0.37 0.67 -0.10 3.15 5.08 -2.01 -3.02 114.58 117.97 1tnp h GLU 56 Ca -0.30 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 1tnp h GLU 56 Cb 1.70 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1tnp h GLU 56 CO 0.03 0.75 -0.47 0.93 -1.00 0.00 0.00 179.01 179.26 1tnp h GLU 57 N 0.61 0.24 -0.38 2.33 4.39 -1.99 -2.55 114.58 117.23 1tnp h GLU 57 Ca 0.11 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1tnp h GLU 57 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1tnp h GLU 57 CO 0.03 0.66 0.08 1.25 -1.16 0.00 0.00 179.01 179.87 1tnp h LEU 58 N 0.20 0.52 -0.78 1.33 6.46 -1.45 -2.27 115.31 119.31 1tnp h LEU 58 Ca 0.01 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.57 1tnp h LEU 58 Cb 0.90 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1tnp h LEU 58 CO 0.07 0.53 -0.55 0.44 -0.62 0.00 0.00 178.44 178.31 1tnp h ASP 59 N 0.55 0.18 -0.04 1.25 3.32 -1.47 -3.16 116.42 117.05 1tnp h ASP 59 Ca 0.13 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1tnp h ASP 59 Cb 0.23 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1tnp h ASP 59 CO -0.00 0.70 -0.01 0.00 -1.72 0.00 0.00 179.24 178.21 1tnp h ALA 60 N 1.31 0.05 -1.02 3.45 0.00 -1.31 -2.88 119.26 118.86 1tnp h ALA 60 Ca -0.00 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 54.97 1tnp h ALA 60 Cb 1.01 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1tnp h ALA 60 CO 0.08 -0.26 0.63 0.82 0.00 0.00 0.00 179.25 180.52 1tnp h ILE 61 N -0.26 0.55 -0.39 0.00 2.04 -1.47 0.19 117.51 118.16 1tnp h ILE 61 Ca 0.01 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1tnp h ILE 61 Cb 0.37 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1tnp h ILE 61 CO 0.00 0.09 0.06 0.40 0.00 0.00 0.00 178.15 178.71 1tnp h ILE 62 N 0.52 1.24 -0.39 -0.67 2.04 -1.49 -2.84 117.51 115.92 1tnp h ILE 62 Ca 0.62 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1tnp h ILE 62 Cb 1.31 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.36 1tnp h ILE 62 CO -0.39 0.30 -0.41 -0.08 0.00 0.00 0.00 178.15 177.57 1tnp h GLU 63 N 0.50 -0.31 0.21 2.37 4.57 -0.45 -2.32 114.58 119.15 1tnp h GLU 63 Ca 0.12 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1tnp h GLU 63 Cb 0.38 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1tnp h GLU 63 CO 0.01 -0.21 -0.40 1.49 -1.18 0.00 0.00 179.01 178.72 1tnp h GLU 64 N -0.32 -0.67 -0.94 1.92 4.22 -1.28 -1.74 114.58 115.77 1tnp h GLU 64 Ca 0.14 0.05 0.23 0.00 0.08 0.00 0.00 59.36 59.85 1tnp h GLU 64 Cb 0.58 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1tnp h GLU 64 CO -0.56 -0.45 0.62 -0.24 -2.18 0.00 0.00 179.01 176.21 1tnp h VAL 65 N -0.70 0.63 -1.58 0.32 3.04 -1.29 -2.20 116.25 114.47 1tnp h VAL 65 Ca 0.00 -0.12 -0.70 0.00 -1.01 0.00 0.00 66.70 64.88 1tnp h VAL 65 Cb 0.68 0.25 -0.21 0.00 -2.01 0.00 0.00 31.29 30.00 1tnp h VAL 65 CO -0.18 0.06 1.23 -0.67 -1.01 0.00 0.00 177.57 177.01 1tnp n ASP 66 N -4.50 7.34 0.09 3.17 2.03 -0.65 -4.43 116.55 119.61 1tnp n ASP 66 Ca 0.21 -3.45 -0.23 0.00 0.52 0.00 0.00 54.79 51.83 1tnp n ASP 66 Cb 0.78 -1.21 -0.15 0.00 -0.72 0.00 0.00 41.12 39.81 1tnp n ASP 66 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1tnp h GLU 67 N 3.71 0.43 0.00 -0.67 4.11 -1.50 -3.43 114.58 117.23 1tnp h GLU 67 Ca 0.55 -0.74 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1tnp h GLU 67 Cb 0.36 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1tnp h GLU 67 CO 1.23 1.35 -0.16 -3.47 0.07 0.00 0.00 179.01 178.03 1tnp n ASP 68 N -3.76 0.36 0.00 3.06 2.03 -1.26 -5.08 116.55 111.90 1tnp n ASP 68 Ca -0.20 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1tnp n ASP 68 Cb 1.03 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1tnp n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tnp n GLY 69 N 1.87 -1.78 3.86 0.27 0.00 -1.26 -5.18 105.19 102.97 1tnp n GLY 69 Ca -0.02 0.79 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 1tnp n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tnp s SER 70 N 0.00 6.14 -0.04 1.61 0.15 -1.26 -5.06 113.70 115.23 1tnp s SER 70 Ca 0.00 0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.89 1tnp s SER 70 Cb 0.00 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1tnp s SER 70 CO 0.00 0.27 -0.08 0.61 1.20 0.00 0.00 173.24 175.24 1tnp n GLY 71 N 1.04 -0.49 3.25 9.45 0.00 -1.26 -4.91 105.19 112.26 1tnp n GLY 71 Ca -0.12 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1tnp n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tnp n THR 72 N -2.94 0.00 -4.14 2.61 -2.24 -1.26 -4.38 114.28 101.94 1tnp n THR 72 Ca -0.03 -1.86 -0.13 0.00 -2.27 0.00 0.00 64.05 59.76 1tnp n THR 72 Cb 0.12 -0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 1tnp n THR 72 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1tnp s ILE 73 N -2.33 0.75 0.00 2.28 2.07 -1.10 -4.93 121.20 117.93 1tnp s ILE 73 Ca 0.27 -1.57 0.00 0.00 -1.41 0.00 0.00 60.65 57.94 1tnp s ILE 73 Cb -0.02 -1.24 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1tnp s ILE 73 CO 0.17 -0.60 0.00 0.47 -1.91 0.00 0.00 174.94 173.07 1tnp n ASP 74 N 0.64 1.38 0.09 4.50 9.92 -1.26 -2.44 116.55 129.38 1tnp n ASP 74 Ca -0.17 -0.61 -0.07 0.00 -0.53 0.00 0.00 54.79 53.41 1tnp n ASP 74 Cb 0.58 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.07 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1tnp h PHE 75 N 0.42 0.18 0.54 1.24 3.57 -2.00 -2.75 116.94 118.13 1tnp h PHE 75 Ca 0.00 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1tnp h PHE 75 Cb 0.00 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.73 1tnp h PHE 75 CO 0.00 0.89 -0.26 0.93 -2.23 0.00 0.00 178.31 177.65 1tnp h GLU 76 N 0.07 -0.70 -0.60 1.11 4.39 -1.97 -2.52 114.58 114.37 1tnp h GLU 76 Ca -0.03 0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.85 1tnp h GLU 76 Cb 1.45 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 30.22 1tnp h GLU 76 CO 0.12 -0.46 0.41 0.93 -1.16 0.00 0.00 179.01 178.85 1tnp h GLU 77 N -0.83 0.24 -0.37 2.33 4.39 -1.95 -1.47 114.58 116.91 1tnp h GLU 77 Ca -0.07 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1tnp h GLU 77 Cb 0.55 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1tnp h GLU 77 CO 0.12 0.16 0.24 0.35 -1.16 0.00 0.00 179.01 178.72 1tnp h PHE 78 N 0.25 0.46 -0.10 4.33 3.04 -1.36 -2.26 116.94 121.30 1tnp h PHE 78 Ca 0.29 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.15 1tnp h PHE 78 Cb 0.79 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 1tnp h PHE 78 CO -0.00 0.29 -0.39 -0.07 -2.02 0.00 0.00 178.31 176.12 1tnp h LEU 79 N 0.50 0.21 -0.85 0.59 3.38 -0.83 -2.78 115.31 115.53 1tnp h LEU 79 Ca 0.14 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1tnp h LEU 79 Cb -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1tnp h LEU 79 CO -0.03 0.59 0.04 0.58 0.09 0.00 0.00 178.44 179.70 1tnp h VAL 80 N 0.18 1.25 -0.07 1.22 2.07 -1.06 -2.82 116.25 117.01 1tnp h VAL 80 Ca 0.02 -1.01 -0.19 0.00 0.82 0.00 0.00 66.70 66.34 1tnp h VAL 80 Cb 0.77 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1tnp h VAL 80 CO 0.06 0.36 -0.75 0.00 0.02 0.00 0.00 177.57 177.26 1tnp h MET 81 N 0.84 0.40 0.45 1.57 -0.00 -1.16 -2.92 114.93 114.10 1tnp h MET 81 Ca 0.17 -0.34 -0.02 0.00 -0.00 0.00 0.00 59.70 59.51 1tnp h MET 81 Cb 0.44 0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1tnp h MET 81 CO 0.02 0.98 -0.21 0.52 -0.00 0.00 0.00 176.91 178.21 1tnp h MET 82 N 0.27 -0.58 -0.70 -0.10 2.07 -1.30 -2.81 114.93 111.78 1tnp h MET 82 Ca -0.04 0.04 0.09 0.00 -2.07 0.00 0.00 59.70 57.72 1tnp h MET 82 Cb 1.34 0.13 -0.05 0.00 -1.87 0.00 0.00 31.60 31.15 1tnp h MET 82 CO 0.13 -0.27 0.46 0.28 1.07 0.00 0.00 176.91 178.58 1tnp h VAL 83 N -0.90 0.94 -0.13 -2.22 2.07 -1.60 -2.19 116.25 112.22 1tnp h VAL 83 Ca -0.06 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1tnp h VAL 83 Cb 0.57 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1tnp h VAL 83 CO 0.10 0.11 -0.31 -0.09 0.02 0.00 0.00 177.57 177.41 1tnp h ARG 84 N 0.61 -0.37 -0.63 1.57 9.65 -1.30 -2.57 114.38 121.35 1tnp h ARG 84 Ca 0.32 0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1tnp h ARG 84 Cb 0.44 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.08 1tnp h ARG 84 CO -0.11 -0.24 0.16 1.96 2.80 0.00 0.00 179.97 184.54 1tnp h GLN 85 N -0.38 1.00 -1.01 0.20 7.50 -1.20 -2.94 115.11 118.29 1tnp h GLN 85 Ca 0.10 -0.24 0.20 0.00 0.50 0.00 0.00 58.65 59.21 1tnp h GLN 85 Cb 0.53 -0.13 -0.11 0.00 0.05 0.00 0.00 27.48 27.82 1tnp h GLN 85 CO -0.34 0.90 0.61 0.52 -1.50 0.00 0.00 178.83 179.02 1tnp h MET 86 N 0.92 0.71 0.70 1.46 2.86 -1.15 -1.58 114.93 118.84 1tnp h MET 86 Ca 0.20 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1tnp h MET 86 Cb 0.35 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.85 1tnp h MET 86 CO 0.00 0.47 -0.34 -0.22 1.06 0.00 0.00 176.91 177.89 1tnp h LYS 87 N 0.73 -0.90 -5.77 1.72 3.64 -1.36 -3.40 116.57 111.23 1tnp h LYS 87 Ca 0.59 0.06 -0.50 0.00 -1.27 0.00 0.00 60.65 59.53 1tnp h LYS 87 Cb 0.96 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1tnp h LYS 87 CO -0.40 -0.60 1.55 -2.00 -2.27 0.00 0.00 179.45 175.73 1tnp s GLU 88 N -4.59 2.44 -0.11 1.90 2.56 -0.59 -4.83 118.70 115.48 1tnp s GLU 88 Ca -0.14 1.45 -0.25 0.00 0.00 0.00 0.00 54.97 56.03 1tnp s GLU 88 Cb 0.01 -4.50 -0.22 0.00 2.00 0.00 0.00 34.13 31.43 1tnp s GLU 88 CO 0.41 -2.90 0.79 0.38 -0.56 0.00 0.00 175.26 173.39 1tnp h ASP 89 N 17.77 -0.02 0.00 -1.70 3.04 -1.79 -3.46 116.42 130.26 1tnp h ASP 89 Ca -0.28 -0.77 0.00 0.00 -3.24 0.00 0.00 57.03 52.74 1tnp h ASP 89 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1tnp h ASP 89 CO 1.12 0.81 0.00 0.00 -2.04 0.00 0.00 179.24 179.13