#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnp s SER 2 N 0.00 0.32 -0.67 0.00 0.15 -1.26 -5.05 113.70 107.18 1tnp s SER 2 Ca 0.00 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1tnp s SER 2 Cb 0.00 0.40 0.39 0.00 -1.71 0.00 0.00 66.02 65.10 1tnp s SER 2 CO 0.00 -0.21 1.75 0.23 1.20 0.00 0.00 173.24 176.20 1tnp n MET 3 N 4.95 2.97 -0.20 5.44 0.00 -1.26 -4.66 117.12 124.36 1tnp n MET 3 Ca -0.12 -3.76 0.02 0.00 0.00 0.00 0.00 57.70 53.84 1tnp n MET 3 Cb 0.51 -2.27 0.10 0.00 0.00 0.00 0.00 33.22 31.56 1tnp n MET 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1tnp n THR 4 N -0.61 0.59 -2.43 2.03 -2.24 -1.26 -4.02 114.28 106.35 1tnp n THR 4 Ca 0.51 -0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1tnp n THR 4 Cb 0.47 -0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1tnp n THR 4 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tnp n ASP 5 N 0.15 -0.19 0.16 3.42 2.03 -1.26 -5.00 116.55 115.86 1tnp n ASP 5 Ca 0.07 -1.07 0.17 0.00 0.52 0.00 0.00 54.79 54.48 1tnp n ASP 5 Cb 0.39 0.09 0.77 0.00 -0.72 0.00 0.00 41.12 41.65 1tnp n ASP 5 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1tnp h GLN 6 N 0.12 0.00 -0.86 -0.67 3.07 -1.89 -2.52 115.11 112.36 1tnp h GLN 6 Ca -0.06 0.00 0.22 0.00 0.09 0.00 0.00 58.65 58.90 1tnp h GLN 6 Cb 1.00 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.41 1tnp h GLN 6 CO -0.03 0.00 0.16 -0.56 0.09 0.00 0.00 178.83 178.49 1tnp h GLN 7 N 0.00 0.15 -0.77 0.06 3.07 -1.94 -0.09 115.11 115.60 1tnp h GLN 7 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.80 1tnp h GLN 7 Cb 0.58 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.07 1tnp h GLN 7 CO -0.00 0.10 0.28 0.00 0.09 0.00 0.00 178.83 179.30 1tnp h ALA 8 N 1.79 1.05 -1.16 0.06 0.00 -1.88 -2.48 119.26 116.64 1tnp h ALA 8 Ca 0.53 -0.21 0.33 0.00 0.00 0.00 0.00 54.91 55.56 1tnp h ALA 8 Cb 1.04 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1tnp h ALA 8 CO -0.69 0.66 0.79 1.49 0.00 0.00 0.00 179.25 181.50 1tnp h GLU 9 N 1.13 0.19 0.15 0.00 4.81 -1.17 -2.01 114.58 117.68 1tnp h GLU 9 Ca 0.25 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1tnp h GLU 9 Cb 0.25 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1tnp h GLU 9 CO -0.02 0.12 -0.30 0.00 -0.73 0.00 0.00 179.01 178.09 1tnp h ALA 10 N 1.52 -0.53 -0.07 2.92 0.00 -1.48 -2.57 119.26 119.05 1tnp h ALA 10 Ca 0.63 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.35 1tnp h ALA 10 Cb 2.01 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 1tnp h ALA 10 CO -0.20 -0.85 -0.53 0.07 0.00 0.00 0.00 179.25 177.74 1tnp h ARG 11 N -0.53 0.19 -0.19 0.00 0.11 -1.55 -2.90 114.38 109.50 1tnp h ARG 11 Ca 0.02 -0.11 0.06 0.00 0.10 0.00 0.00 59.98 60.05 1tnp h ARG 11 Cb 0.55 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1tnp h ARG 11 CO -0.15 0.68 0.17 0.00 0.10 0.00 0.00 179.97 180.76 1tnp h ALA 12 N 1.30 2.00 0.25 0.08 0.00 -1.19 -3.15 119.26 118.56 1tnp h ALA 12 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1tnp h ALA 12 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1tnp h ALA 12 CO 0.08 -0.27 -0.12 0.35 0.00 0.00 0.00 179.25 179.29 1tnp h PHE 13 N 0.00 -0.31 -4.23 0.00 3.04 -1.29 -3.46 116.94 110.68 1tnp h PHE 13 Ca 0.09 -0.01 -0.47 0.00 3.98 0.00 0.00 57.97 61.56 1tnp h PHE 13 Cb 0.42 0.10 0.08 0.00 2.56 0.00 0.00 35.95 39.12 1tnp h PHE 13 CO 0.00 -0.20 0.33 -0.48 -2.02 0.00 0.00 178.31 175.95 1tnp s LEU 14 N -7.10 2.77 0.00 0.59 0.05 -1.19 -5.10 118.68 108.69 1tnp s LEU 14 Ca -0.05 0.76 -0.04 0.00 0.05 0.00 0.00 54.13 54.85 1tnp s LEU 14 Cb 0.00 -3.41 0.13 0.00 -2.05 0.00 0.00 46.19 40.87 1tnp s LEU 14 CO 0.15 -1.59 0.88 -0.24 -0.55 0.00 0.00 176.35 175.00 1tnp n SER 15 N -3.04 0.83 -0.02 1.48 2.88 -1.26 -4.90 113.62 109.59 1tnp n SER 15 Ca 0.07 -1.78 -0.10 0.00 -1.33 0.00 0.00 58.87 55.72 1tnp n SER 15 Cb 0.60 -0.60 0.04 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.00 0.64 -0.14 -1.46 4.39 -1.99 -3.28 114.58 112.73 1tnp h GLU 16 Ca -0.29 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 59.05 1tnp h GLU 16 Cb 0.98 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1tnp h GLU 16 CO 0.28 1.01 -0.05 0.93 -1.16 0.00 0.00 179.01 180.01 1tnp h GLU 17 N 0.49 -0.02 -0.94 2.33 5.08 -2.01 -2.14 114.58 117.37 1tnp h GLU 17 Ca 0.01 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1tnp h GLU 17 Cb 1.09 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 1tnp h GLU 17 CO 0.10 -0.01 0.59 1.98 -1.00 0.00 0.00 179.01 180.67 1tnp h MET 18 N -0.02 1.01 -0.77 2.33 4.05 -1.96 -1.03 114.93 118.54 1tnp h MET 18 Ca 0.07 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1tnp h MET 18 Cb 0.13 -0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 30.66 1tnp h MET 18 CO -0.16 0.67 0.50 0.82 0.23 0.00 0.00 176.91 178.96 1tnp h ILE 19 N 1.05 1.14 -0.95 1.77 2.04 -1.47 -2.19 117.51 118.89 1tnp h ILE 19 Ca 0.42 -0.34 0.20 0.00 1.00 0.00 0.00 64.86 66.14 1tnp h ILE 19 Cb 0.24 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1tnp h ILE 19 CO -0.19 0.18 0.61 0.00 0.00 0.00 0.00 178.15 178.75 1tnp h ALA 20 N 1.31 2.00 -0.04 1.87 0.00 -0.87 -0.71 119.26 122.82 1tnp h ALA 20 Ca 0.30 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 1tnp h ALA 20 Cb -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.73 1tnp h ALA 20 CO -0.10 -0.32 -0.85 1.49 0.00 0.00 0.00 179.25 179.47 1tnp h GLU 21 N 0.56 0.64 -0.60 0.00 4.81 -1.43 -3.20 114.58 115.36 1tnp h GLU 21 Ca 0.52 -0.64 0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1tnp h GLU 21 Cb 1.07 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1tnp h GLU 21 CO -0.26 1.24 0.41 0.74 -0.73 0.00 0.00 179.01 180.42 1tnp h PHE 22 N 0.29 0.38 -0.05 0.92 -1.00 -0.97 -1.84 116.94 114.66 1tnp h PHE 22 Ca -0.10 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.71 1tnp h PHE 22 Cb 1.51 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.94 1tnp h PHE 22 CO 0.11 0.17 -0.03 0.87 -1.61 0.00 0.00 178.31 177.83 1tnp h LYS 23 N 0.35 -0.02 -0.75 1.51 1.57 -1.47 -2.78 116.57 114.98 1tnp h LYS 23 Ca 0.28 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.22 1tnp h LYS 23 Cb 0.65 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.86 1tnp h LYS 23 CO -0.07 -0.01 0.24 0.00 -0.57 0.00 0.00 179.45 179.03 1tnp h ALA 24 N 1.03 1.02 -0.31 3.86 0.00 -1.45 -1.78 119.26 121.63 1tnp h ALA 24 Ca 0.03 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1tnp h ALA 24 Cb 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1tnp h ALA 24 CO -0.07 -0.29 -0.46 0.00 0.00 0.00 0.00 179.25 178.43 1tnp h ALA 25 N 1.59 0.47 0.00 0.00 0.00 -1.59 -3.09 119.26 116.64 1tnp h ALA 25 Ca 0.42 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1tnp h ALA 25 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tnp h ALA 25 CO -0.47 0.62 -0.14 0.35 0.00 0.00 0.00 179.25 179.62 1tnp h PHE 26 N 0.64 0.00 -0.01 0.00 3.57 -1.06 -2.44 116.94 117.63 1tnp h PHE 26 Ca 0.03 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.34 1tnp h PHE 26 Cb 1.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1tnp h PHE 26 CO 0.07 0.14 -0.82 0.22 -2.23 0.00 0.00 178.31 175.69 1tnp h ASP 27 N 0.00 0.24 -0.88 0.41 1.82 -1.35 -2.43 116.42 114.23 1tnp h ASP 27 Ca -0.00 -0.18 0.19 0.00 -0.39 0.00 0.00 57.03 56.64 1tnp h ASP 27 Cb 0.27 -0.07 -0.11 0.00 0.68 0.00 0.00 39.33 40.10 1tnp h ASP 27 CO 0.02 0.96 0.43 0.24 -1.61 0.00 0.00 179.24 179.28 1tnp h MET 28 N 0.11 0.51 0.04 0.28 2.86 -1.44 -2.46 114.93 114.84 1tnp h MET 28 Ca -0.03 -0.03 -0.37 0.00 -2.06 0.00 0.00 59.70 57.21 1tnp h MET 28 Cb 1.42 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.92 1tnp h MET 28 CO 0.12 0.34 -2.21 1.19 1.06 0.00 0.00 176.91 177.41 1tnp n PHE 29 N -4.94 0.56 -1.56 -0.22 3.72 -1.24 -4.97 117.46 108.80 1tnp n PHE 29 Ca 0.20 0.14 -0.31 0.00 -0.05 0.00 0.00 57.45 57.42 1tnp n PHE 29 Cb 0.55 -1.08 0.06 0.00 -0.94 0.00 0.00 39.48 38.07 1tnp n PHE 29 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1tnp s ASP 30 N -6.52 5.19 0.90 4.37 2.15 -0.91 -5.04 116.67 116.81 1tnp s ASP 30 Ca -0.24 1.71 -0.07 0.00 0.43 0.00 0.00 52.55 54.39 1tnp s ASP 30 Cb 0.08 -2.51 0.11 0.00 -0.30 0.00 0.00 42.92 40.29 1tnp s ASP 30 CO 0.72 -1.57 0.65 0.00 -0.17 0.00 0.00 175.17 174.79 1tnp n ALA 31 N -3.07 -0.58 -2.61 3.66 0.00 -1.26 -4.80 120.51 111.85 1tnp n ALA 31 Ca 0.08 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 52.17 1tnp n ALA 31 Cb 0.53 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1tnp n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tnp s ASP 32 N -3.41 6.40 -0.21 0.00 2.15 -1.26 -4.12 116.67 116.23 1tnp s ASP 32 Ca 0.38 -0.17 -0.00 0.00 0.43 0.00 0.00 52.55 53.19 1tnp s ASP 32 Cb -0.01 -2.43 -0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1tnp s ASP 32 CO 0.26 -1.12 0.19 0.61 -0.17 0.00 0.00 175.17 174.94 1tnp n GLY 33 N 5.04 -0.29 0.00 2.66 0.00 -1.26 -5.08 105.19 106.26 1tnp n GLY 33 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1tnp n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnp n GLY 34 N -1.26 0.64 0.00 -0.02 0.00 -1.26 -5.08 105.19 98.21 1tnp n GLY 34 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tnp n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnp n GLY 35 N 4.88 3.43 3.35 -0.02 0.00 -1.26 -5.10 105.19 110.47 1tnp n GLY 35 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.06 2.27 0.16 1.61 1.47 -1.26 -3.71 116.67 117.15 1tnp s ASP 36 Ca 0.00 -1.14 0.03 0.00 1.18 0.00 0.00 52.55 52.62 1tnp s ASP 36 Cb 0.00 -0.08 -0.01 0.00 -0.34 0.00 0.00 42.92 42.49 1tnp s ASP 36 CO 0.00 -0.36 0.15 2.30 0.68 0.00 0.00 175.17 177.94 1tnp n ILE 37 N -0.43 0.00 -2.84 2.11 -5.35 -1.05 -4.83 119.36 106.97 1tnp n ILE 37 Ca -0.07 -1.13 -0.35 0.00 -0.27 0.00 0.00 62.75 60.94 1tnp n ILE 37 Cb 0.62 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 39.03 1tnp n ILE 37 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1tnp s SER 38 N -2.10 7.09 0.00 7.28 0.15 -1.26 -3.64 113.70 121.21 1tnp s SER 38 Ca 0.18 1.70 0.12 0.00 0.70 0.00 0.00 55.95 58.66 1tnp s SER 38 Cb 0.01 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.34 1tnp s SER 38 CO 0.13 -0.22 1.39 0.35 1.20 0.00 0.00 173.24 176.09 1tnp n THR 39 N -0.09 0.13 0.03 6.45 -2.24 -1.26 -3.11 114.28 114.19 1tnp n THR 39 Ca 0.04 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1tnp n THR 39 Cb 0.52 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 1tnp n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1tnp h LYS 40 N 0.81 0.22 0.00 -0.78 6.56 -1.93 -3.39 116.57 118.06 1tnp h LYS 40 Ca 0.00 -0.38 -0.33 0.00 -1.06 0.00 0.00 60.65 58.89 1tnp h LYS 40 Cb 0.18 0.14 -0.06 0.00 -0.57 0.00 0.00 32.23 31.92 1tnp h LYS 40 CO 0.00 1.05 -2.01 0.39 -2.06 0.00 0.00 179.45 176.82 1tnp n GLU 41 N -3.40 0.66 -0.37 3.15 -0.58 -1.23 -4.44 120.64 114.44 1tnp n GLU 41 Ca -0.23 0.17 -0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1tnp n GLU 41 Cb 1.05 -1.67 0.05 0.00 -0.57 0.00 0.00 31.44 30.30 1tnp n GLU 41 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1tnp n LEU 42 N -2.93 -0.59 -0.07 -4.62 -0.00 -1.18 -1.27 117.00 106.34 1tnp n LEU 42 Ca -0.24 1.67 -0.05 0.00 -0.00 0.00 0.00 56.01 57.39 1tnp n LEU 42 Cb 1.10 -0.40 -0.04 0.00 -0.00 0.00 0.00 43.42 44.09 1tnp n LEU 42 CO 0.44 -1.51 0.50 1.23 -0.00 0.00 0.00 177.39 178.05 1tnp h GLY 43 N 0.00 -1.71 -0.80 -3.96 0.00 -1.81 -0.89 103.07 93.91 1tnp h GLY 43 Ca 0.35 0.85 0.38 0.00 0.00 0.00 0.00 47.33 48.90 1tnp h GLY 43 CO -0.95 -0.55 0.58 -0.84 0.00 0.00 0.00 176.54 174.77 1tnp h THR 44 N -0.11 0.14 -0.12 4.70 2.02 -1.45 -0.32 112.91 117.76 1tnp h THR 44 Ca 0.03 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1tnp h THR 44 Cb 0.20 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1tnp h THR 44 CO -0.24 0.03 0.05 1.62 0.37 0.00 0.00 175.52 177.35 1tnp h VAL 45 N 0.15 0.99 -0.85 3.16 3.04 -0.77 -1.64 116.25 120.33 1tnp h VAL 45 Ca 0.80 -0.04 0.22 0.00 -1.01 0.00 0.00 66.70 66.67 1tnp h VAL 45 Cb 2.03 0.86 -0.05 0.00 -2.01 0.00 0.00 31.29 32.12 1tnp h VAL 45 CO -0.67 0.02 0.58 0.24 -1.01 0.00 0.00 177.57 176.73 1tnp h MET 46 N 0.12 0.19 0.17 4.17 2.86 -0.86 -0.86 114.93 120.72 1tnp h MET 46 Ca 0.05 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.38 1tnp h MET 46 Cb 0.02 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.65 1tnp h MET 46 CO -0.04 0.13 -1.31 -0.09 1.06 0.00 0.00 176.91 176.65 1tnp h ARG 47 N 0.20 0.42 0.00 1.72 2.43 -1.34 -3.27 114.38 114.53 1tnp h ARG 47 Ca 0.42 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1tnp h ARG 47 Cb 1.35 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1tnp h ARG 47 CO -0.09 1.31 0.00 -0.12 -1.51 0.00 0.00 179.97 179.57 1tnp n MET 48 N -3.64 0.81 -0.03 0.20 1.56 -0.34 -2.60 117.12 113.07 1tnp n MET 48 Ca -0.12 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.10 1tnp n MET 48 Cb 1.04 -1.44 -0.13 0.00 2.15 0.00 0.00 33.22 34.83 1tnp n MET 48 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1tnp h LEU 49 N 0.00 0.24 0.00 -0.89 3.38 -1.57 -3.49 115.31 112.98 1tnp h LEU 49 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1tnp h LEU 49 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1tnp h LEU 49 CO 0.00 1.58 0.00 0.61 0.09 0.00 0.00 178.44 180.72 1tnp n GLY 50 N 1.67 -0.18 3.21 0.83 0.00 -1.07 -5.17 105.19 104.48 1tnp n GLY 50 Ca -0.28 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1tnp n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tnp s GLN 51 N 0.00 0.96 -0.45 1.61 1.11 -1.15 -5.06 119.66 116.69 1tnp s GLN 51 Ca 0.00 -1.27 0.06 0.00 0.01 0.00 0.00 55.36 54.16 1tnp s GLN 51 Cb 0.00 0.30 0.22 0.00 -1.01 0.00 0.00 33.01 32.52 1tnp s GLN 51 CO 0.00 -0.30 0.49 -1.71 0.01 0.00 0.00 175.29 173.78 1tnp n ASN 52 N -0.11 0.60 -3.02 5.90 4.05 -1.26 -4.53 115.26 116.90 1tnp n ASN 52 Ca -0.08 -2.72 0.00 0.00 0.45 0.00 0.00 54.58 52.23 1tnp n ASN 52 Cb 0.63 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1tnp n PRO 53 N 1.81 1.00 -4.55 1.20 -0.04 -1.26 -5.13 135.00 128.02 1tnp n PRO 53 Ca 0.25 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.42 1tnp n PRO 53 Cb 0.49 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.86 1tnp n PRO 53 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1tnp s THR 54 N -0.00 1.78 -0.10 0.52 -4.23 -1.26 -5.08 115.64 107.27 1tnp s THR 54 Ca 0.00 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.33 1tnp s THR 54 Cb 0.00 -2.71 -0.28 0.00 1.34 0.00 0.00 72.50 70.85 1tnp s THR 54 CO 0.00 0.00 0.80 0.50 -0.54 0.00 0.00 174.62 175.38 1tnp h LYS 55 N 1.54 0.13 -0.41 3.99 1.63 -2.00 -2.90 116.57 118.56 1tnp h LYS 55 Ca -0.43 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.09 1tnp h LYS 55 Cb 1.27 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 1tnp h LYS 55 CO 0.76 1.11 0.05 0.93 -3.45 0.00 0.00 179.45 178.85 1tnp h GLU 56 N -0.71 0.63 -0.01 1.90 4.39 -2.00 -2.24 114.58 116.53 1tnp h GLU 56 Ca -0.08 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.33 1tnp h GLU 56 Cb 1.30 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1tnp h GLU 56 CO 0.06 0.62 -0.72 0.93 -1.16 0.00 0.00 179.01 178.74 1tnp h GLU 57 N 0.61 0.08 -0.35 2.33 4.39 -1.99 -2.42 114.58 117.23 1tnp h GLU 57 Ca 0.13 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1tnp h GLU 57 Cb 0.31 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1tnp h GLU 57 CO 0.01 0.76 -0.11 1.25 -1.16 0.00 0.00 179.01 179.76 1tnp h LEU 58 N 0.05 0.58 0.15 1.33 6.46 -1.19 -2.82 115.31 119.87 1tnp h LEU 58 Ca -0.01 -0.16 -0.29 0.00 -0.12 0.00 0.00 57.88 57.30 1tnp h LEU 58 Cb 1.27 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1tnp h LEU 58 CO 0.10 0.73 -1.29 0.44 -0.62 0.00 0.00 178.44 177.80 1tnp h ASP 59 N 0.55 0.50 -0.03 1.25 3.32 -1.36 -3.35 116.42 117.29 1tnp h ASP 59 Ca 0.10 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1tnp h ASP 59 Cb 0.52 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1tnp h ASP 59 CO 0.03 1.42 -0.00 0.00 -1.72 0.00 0.00 179.24 178.97 1tnp h ALA 60 N 0.51 0.04 -1.08 3.45 0.00 -1.34 -2.80 119.26 118.05 1tnp h ALA 60 Ca -0.16 -0.18 0.29 0.00 0.00 0.00 0.00 54.91 54.87 1tnp h ALA 60 Cb 2.01 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 1tnp h ALA 60 CO 0.22 -0.28 0.71 0.82 0.00 0.00 0.00 179.25 180.72 1tnp h ILE 61 N -0.26 0.48 0.07 0.00 2.04 -1.64 0.95 117.51 119.16 1tnp h ILE 61 Ca 0.01 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1tnp h ILE 61 Cb 0.35 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1tnp h ILE 61 CO 0.00 0.05 -0.04 0.40 0.00 0.00 0.00 178.15 178.57 1tnp h ILE 62 N 0.29 1.11 -0.76 -0.67 1.08 -1.63 -2.21 117.51 114.71 1tnp h ILE 62 Ca 0.59 -0.65 0.10 0.00 -0.39 0.00 0.00 64.86 64.51 1tnp h ILE 62 Cb 1.71 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 36.94 1tnp h ILE 62 CO -0.24 0.16 0.50 -0.08 -0.69 0.00 0.00 178.15 177.81 1tnp h GLU 63 N -0.39 0.66 0.00 2.37 4.57 -0.77 0.39 114.58 121.42 1tnp h GLU 63 Ca -0.01 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.91 1tnp h GLU 63 Cb 0.34 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1tnp h GLU 63 CO 0.02 0.44 -0.93 1.49 -1.18 0.00 0.00 179.01 178.84 1tnp h GLU 64 N 0.68 0.35 -0.51 1.92 4.57 -1.32 -3.22 114.58 117.05 1tnp h GLU 64 Ca 0.35 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1tnp h GLU 64 Cb 0.46 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 1tnp h GLU 64 CO -0.13 1.07 0.06 1.55 -1.18 0.00 0.00 179.01 180.38 1tnp n VAL 65 N -3.72 2.67 -2.66 0.32 3.14 -0.61 -4.18 118.33 113.29 1tnp n VAL 65 Ca -0.06 -1.65 0.01 0.00 -2.96 0.00 0.00 64.34 59.68 1tnp n VAL 65 Cb 0.83 -0.29 0.04 0.00 -1.06 0.00 0.00 33.84 33.36 1tnp n VAL 65 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1tnp n ASP 66 N 0.06 0.88 0.06 6.55 -0.08 0.03 -4.62 116.55 119.42 1tnp n ASP 66 Ca 0.29 -2.04 -0.18 0.00 -1.51 0.00 0.00 54.79 51.35 1tnp n ASP 66 Cb 1.15 -0.24 -0.14 0.00 2.34 0.00 0.00 41.12 44.23 1tnp n ASP 66 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1tnp h GLU 67 N 1.75 0.27 0.00 -0.67 -0.00 -1.72 -3.44 114.58 110.77 1tnp h GLU 67 Ca -0.23 -0.47 0.00 0.00 -0.00 0.00 0.00 59.36 58.66 1tnp h GLU 67 Cb 1.48 0.17 0.00 0.00 -0.00 0.00 0.00 28.75 30.40 1tnp h GLU 67 CO 0.08 1.14 -0.53 -0.40 -0.00 0.00 0.00 179.01 179.30 1tnp n ASP 68 N -3.47 1.29 -4.23 3.06 5.75 -1.26 -5.09 116.55 112.60 1tnp n ASP 68 Ca -0.20 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.24 1tnp n ASP 68 Cb 1.05 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 41.23 1tnp n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tnp n GLY 69 N 2.45 -3.17 2.19 6.12 0.00 -1.26 -4.89 105.19 106.63 1tnp n GLY 69 Ca 0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 1tnp n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tnp n SER 70 N 0.79 4.70 -2.31 1.61 7.64 -1.26 -4.85 113.62 119.93 1tnp n SER 70 Ca 0.03 -3.57 -0.15 0.00 1.01 0.00 0.00 58.87 56.18 1tnp n SER 70 Cb 0.55 -0.86 0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1tnp n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tnp n GLY 71 N -0.99 -0.08 3.55 0.23 0.00 -1.26 -5.03 105.19 101.60 1tnp n GLY 71 Ca 0.57 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 1tnp n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tnp s THR 72 N -3.08 3.33 -0.05 2.61 -4.23 -1.26 -4.21 115.64 108.74 1tnp s THR 72 Ca 0.29 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1tnp s THR 72 Cb -0.13 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1tnp s THR 72 CO 0.36 0.31 0.02 -0.51 -0.54 0.00 0.00 174.62 174.26 1tnp s ILE 73 N -1.03 0.18 0.47 2.99 1.10 -1.24 -4.94 121.20 118.72 1tnp s ILE 73 Ca 0.17 0.21 0.08 0.00 -0.51 0.00 0.00 60.65 60.60 1tnp s ILE 73 Cb -0.11 -0.35 0.02 0.00 0.15 0.00 0.00 42.46 42.16 1tnp s ILE 73 CO 0.08 0.21 0.51 -1.81 -2.11 0.00 0.00 174.94 171.82 1tnp s ASP 74 N 1.81 5.13 0.33 4.50 1.01 -1.26 -2.54 116.67 125.65 1tnp s ASP 74 Ca 0.01 -0.77 0.10 0.00 0.71 0.00 0.00 52.55 52.61 1tnp s ASP 74 Cb -0.12 -0.27 0.56 0.00 1.01 0.00 0.00 42.92 44.09 1tnp s ASP 74 CO -0.04 -0.88 1.74 0.15 0.21 0.00 0.00 175.17 176.35 1tnp h PHE 75 N 0.73 0.08 0.43 4.23 3.57 -1.99 -1.97 116.94 122.04 1tnp h PHE 75 Ca -0.38 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 1tnp h PHE 75 Cb 1.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1tnp h PHE 75 CO 0.55 0.50 -0.21 0.93 -2.23 0.00 0.00 178.31 177.85 1tnp h GLU 76 N 0.06 -0.56 -0.47 1.11 5.08 -1.96 -2.30 114.58 115.54 1tnp h GLU 76 Ca 0.00 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 1tnp h GLU 76 Cb 0.81 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1tnp h GLU 76 CO 0.06 -0.37 0.34 1.49 -1.00 0.00 0.00 179.01 179.53 1tnp h GLU 77 N -0.72 0.03 -0.45 2.33 4.81 -1.98 -1.72 114.58 116.88 1tnp h GLU 77 Ca -0.06 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1tnp h GLU 77 Cb 0.45 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1tnp h GLU 77 CO 0.10 0.02 -0.05 0.35 -0.73 0.00 0.00 179.01 178.70 1tnp h PHE 78 N 0.03 0.83 -0.10 0.92 3.57 -1.20 -2.13 116.94 118.85 1tnp h PHE 78 Ca 0.22 -0.13 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1tnp h PHE 78 Cb 0.86 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1tnp h PHE 78 CO -0.00 0.80 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.18 1tnp h LEU 79 N 0.71 0.43 -0.83 0.59 3.38 -0.74 -2.94 115.31 115.91 1tnp h LEU 79 Ca 0.13 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1tnp h LEU 79 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1tnp h LEU 79 CO 0.03 0.95 0.12 0.58 0.09 0.00 0.00 178.44 180.20 1tnp h VAL 80 N 0.27 1.25 0.04 1.22 2.07 -1.11 -2.82 116.25 117.18 1tnp h VAL 80 Ca -0.01 -0.96 -0.23 0.00 0.82 0.00 0.00 66.70 66.33 1tnp h VAL 80 Cb 1.16 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1tnp h VAL 80 CO 0.11 0.36 -1.01 0.00 0.02 0.00 0.00 177.57 177.04 1tnp h MET 81 N 0.94 0.22 0.58 1.57 -0.00 -1.45 -3.20 114.93 113.58 1tnp h MET 81 Ca 0.19 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1tnp h MET 81 Cb 0.38 0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1tnp h MET 81 CO 0.01 1.06 -0.29 0.52 -0.00 0.00 0.00 176.91 178.21 1tnp h MET 82 N 0.10 -0.76 -0.87 -0.10 2.07 -1.31 -2.40 114.93 111.65 1tnp h MET 82 Ca -0.07 0.05 0.11 0.00 -2.07 0.00 0.00 59.70 57.72 1tnp h MET 82 Cb 1.69 0.17 -0.08 0.00 -1.87 0.00 0.00 31.60 31.51 1tnp h MET 82 CO 0.16 -0.51 0.51 0.28 1.07 0.00 0.00 176.91 178.41 1tnp h VAL 83 N -0.79 0.88 -0.44 -2.22 2.07 -1.64 -2.07 116.25 112.04 1tnp h VAL 83 Ca -0.08 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1tnp h VAL 83 Cb 0.61 -0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1tnp h VAL 83 CO 0.12 0.15 -0.34 -0.09 0.02 0.00 0.00 177.57 177.43 1tnp h ARG 84 N 0.81 -0.23 -0.36 1.57 9.65 -1.43 -1.31 114.38 123.07 1tnp h ARG 84 Ca 0.43 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.26 1tnp h ARG 84 Cb 0.45 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 1tnp h ARG 84 CO -0.27 -0.16 -0.07 1.96 2.80 0.00 0.00 179.97 184.23 1tnp h GLN 85 N -0.24 0.61 -0.88 0.20 1.08 -1.05 -2.85 115.11 111.98 1tnp h GLN 85 Ca 0.18 -0.17 0.10 0.00 -1.45 0.00 0.00 58.65 57.31 1tnp h GLN 85 Cb 0.55 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 1tnp h GLN 85 CO -0.57 0.68 0.57 1.98 -0.95 0.00 0.00 178.83 180.54 1tnp h MET 86 N 0.57 0.82 0.36 1.46 4.05 -0.82 -2.69 114.93 118.68 1tnp h MET 86 Ca 0.11 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1tnp h MET 86 Cb 0.47 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1tnp h MET 86 CO 0.03 0.54 -0.17 -0.22 0.23 0.00 0.00 176.91 177.31 1tnp h LYS 87 N 0.85 -0.47 0.00 0.39 3.64 -1.29 -3.50 116.57 116.18 1tnp h LYS 87 Ca 0.41 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1tnp h LYS 87 Cb 0.44 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1tnp h LYS 87 CO -0.17 -0.31 0.00 -0.85 -2.27 0.00 0.00 179.45 175.84 1tnp n GLU 88 N -4.35 -2.38 0.00 1.90 -0.00 -1.01 -5.13 120.64 109.66 1tnp n GLU 88 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 1tnp n GLU 88 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.63 1tnp n GLU 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1tnp n ASP 89 N 1.08 0.00 0.00 -1.84 2.03 -1.26 -4.39 116.55 112.16 1tnp n ASP 89 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1tnp n ASP 89 Cb 0.00 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1tnp n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28