#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 -2.12 -4.21 0.00 7.64 -1.26 -3.95 113.62 109.73 1tnp n SER 2 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1tnp n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tnp n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1tnp n MET 3 N 0.00 3.77 -0.14 1.43 2.00 -1.26 -4.85 117.12 118.07 1tnp n MET 3 Ca 0.00 -4.20 0.19 0.00 0.00 0.00 0.00 57.70 53.69 1tnp n MET 3 Cb 0.00 -2.71 0.59 0.00 0.00 0.00 0.00 33.22 31.10 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 3.82 0.72 0.00 2.03 2.02 -2.09 -3.39 112.91 116.02 1tnp h THR 4 Ca 0.25 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1tnp h THR 4 Cb 0.77 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1tnp h THR 4 CO 1.25 0.04 0.00 -0.90 0.37 0.00 0.00 175.52 176.28 1tnp n ASP 5 N -4.43 0.00 0.12 4.18 5.68 -1.26 -5.05 116.55 115.80 1tnp n ASP 5 Ca 0.15 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.24 1tnp n ASP 5 Cb 0.64 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.47 1tnp n ASP 5 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1tnp h GLN 6 N 0.00 0.40 -0.05 0.11 5.75 -1.95 -3.11 115.11 116.26 1tnp h GLN 6 Ca 0.00 -0.68 0.01 0.00 -0.15 0.00 0.00 58.65 57.84 1tnp h GLN 6 Cb 0.00 0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1tnp h GLN 6 CO 0.00 1.32 -0.25 0.37 -2.65 0.00 0.00 178.83 177.62 1tnp h GLN 7 N 0.11 -0.26 -0.06 1.69 4.15 -1.96 -2.46 115.11 116.32 1tnp h GLN 7 Ca -0.19 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1tnp h GLN 7 Cb 2.07 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.81 1tnp h GLN 7 CO 0.24 -0.18 -0.23 0.00 -1.93 0.00 0.00 178.83 176.73 1tnp h ALA 8 N -0.93 1.51 -0.78 3.38 0.00 -1.99 -2.94 119.26 117.51 1tnp h ALA 8 Ca 0.01 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.81 1tnp h ALA 8 Cb 0.32 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1tnp h ALA 8 CO -0.20 0.36 0.51 0.93 0.00 0.00 0.00 179.25 180.85 1tnp h GLU 9 N 0.09 0.53 -0.18 0.00 5.08 -1.37 -2.27 114.58 116.46 1tnp h GLU 9 Ca 0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1tnp h GLU 9 Cb 0.46 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1tnp h GLU 9 CO 0.03 0.35 -0.07 0.00 -1.00 0.00 0.00 179.01 178.33 1tnp h ALA 10 N 1.63 0.25 0.00 3.43 0.00 -1.37 -3.14 119.26 120.07 1tnp h ALA 10 Ca 0.38 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1tnp h ALA 10 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1tnp h ALA 10 CO -0.14 0.05 -0.41 0.07 0.00 0.00 0.00 179.25 178.82 1tnp h ARG 11 N 0.06 0.00 0.00 0.00 0.11 -1.57 -2.79 114.38 110.18 1tnp h ARG 11 Ca 0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 1tnp h ARG 11 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 1tnp h ARG 11 CO 0.02 0.41 -0.02 0.00 0.10 0.00 0.00 179.97 180.48 1tnp h ALA 12 N 1.59 1.96 0.00 0.08 0.00 -1.41 -3.07 119.26 118.41 1tnp h ALA 12 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1tnp h ALA 12 Cb 0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tnp h ALA 12 CO 0.05 0.03 -0.38 0.35 0.00 0.00 0.00 179.25 179.30 1tnp h PHE 13 N 0.00 0.00 -3.59 0.00 3.04 -1.58 -3.47 116.94 111.34 1tnp h PHE 13 Ca -0.00 0.00 -0.52 0.00 3.98 0.00 0.00 57.97 61.43 1tnp h PHE 13 Cb 0.04 0.00 0.05 0.00 2.56 0.00 0.00 35.95 38.60 1tnp h PHE 13 CO 0.00 0.61 0.66 -0.51 -2.02 0.00 0.00 178.31 177.05 1tnp s LEU 14 N -8.24 4.42 1.28 0.59 1.43 -1.14 -5.01 118.68 112.01 1tnp s LEU 14 Ca -0.15 2.57 -0.18 0.00 -1.03 0.00 0.00 54.13 55.34 1tnp s LEU 14 Cb 0.01 -3.63 0.32 0.00 0.03 0.00 0.00 46.19 42.92 1tnp s LEU 14 CO 0.37 -0.55 1.00 -0.44 0.23 0.00 0.00 176.35 176.96 1tnp s SER 15 N -0.03 0.11 0.09 2.29 0.01 -1.26 -4.84 113.70 110.06 1tnp s SER 15 Ca 0.54 1.03 -0.09 0.00 1.31 0.00 0.00 55.95 58.73 1tnp s SER 15 Cb -0.39 -1.52 -0.21 0.00 0.21 0.00 0.00 66.02 64.11 1tnp s SER 15 CO 0.45 -4.67 1.20 -0.08 0.41 0.00 0.00 173.24 170.55 1tnp h GLU 16 N -2.95 0.51 0.14 12.44 4.57 -1.95 -3.23 114.58 124.11 1tnp h GLU 16 Ca -0.50 -0.62 -0.30 0.00 -1.18 0.00 0.00 59.36 56.75 1tnp h GLU 16 Cb 1.33 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 1tnp h GLU 16 CO 0.38 1.25 -1.45 1.49 -1.18 0.00 0.00 179.01 179.50 1tnp h GLU 17 N 0.25 0.29 -0.91 1.92 4.22 -2.02 -3.19 114.58 115.13 1tnp h GLU 17 Ca -0.13 -0.49 0.20 0.00 0.08 0.00 0.00 59.36 59.01 1tnp h GLU 17 Cb 1.77 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 31.13 1tnp h GLU 17 CO 0.20 1.18 0.60 1.98 -2.18 0.00 0.00 179.01 180.79 1tnp h MET 18 N 0.08 0.44 -0.34 1.92 4.05 -1.94 -0.72 114.93 118.42 1tnp h MET 18 Ca -0.22 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1tnp h MET 18 Cb 2.02 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 32.71 1tnp h MET 18 CO 0.19 0.29 0.11 0.82 0.23 0.00 0.00 176.91 178.55 1tnp h ILE 19 N 0.46 1.20 -0.90 1.77 1.08 -1.56 -2.64 117.51 116.92 1tnp h ILE 19 Ca 0.48 -0.65 0.13 0.00 -0.39 0.00 0.00 64.86 64.43 1tnp h ILE 19 Cb 1.12 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.79 1tnp h ILE 19 CO -0.20 0.22 0.58 0.00 -0.69 0.00 0.00 178.15 178.06 1tnp h ALA 20 N 0.95 1.74 0.07 1.87 0.00 -1.22 -1.69 119.26 120.99 1tnp h ALA 20 Ca 0.11 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 1tnp h ALA 20 Cb 0.24 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tnp h ALA 20 CO -0.00 0.04 -1.09 1.49 0.00 0.00 0.00 179.25 179.68 1tnp h GLU 21 N 0.78 0.37 -0.20 0.00 4.57 -1.45 -3.28 114.58 115.37 1tnp h GLU 21 Ca 0.44 -0.49 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1tnp h GLU 21 Cb 0.60 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.31 1tnp h GLU 21 CO -0.20 1.18 -0.08 0.74 -1.18 0.00 0.00 179.01 179.46 1tnp h PHE 22 N 0.17 -0.20 -1.00 0.92 -1.00 -0.95 -2.17 116.94 112.71 1tnp h PHE 22 Ca -0.11 0.02 0.23 0.00 2.81 0.00 0.00 57.97 60.91 1tnp h PHE 22 Cb 1.77 0.12 -0.09 0.00 3.61 0.00 0.00 35.95 41.35 1tnp h PHE 22 CO 0.07 -0.13 0.63 0.87 -1.61 0.00 0.00 178.31 178.13 1tnp h LYS 23 N -0.05 0.52 -0.10 1.51 1.57 -1.56 -2.31 116.57 116.15 1tnp h LYS 23 Ca 0.11 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1tnp h LYS 23 Cb 0.21 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1tnp h LYS 23 CO -0.24 0.34 -0.48 0.00 -0.57 0.00 0.00 179.45 178.50 1tnp h ALA 24 N 1.64 -0.76 -0.12 3.86 0.00 -1.51 -1.64 119.26 120.73 1tnp h ALA 24 Ca 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1tnp h ALA 24 Cb 1.21 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1tnp h ALA 24 CO -0.31 -1.02 0.04 0.00 0.00 0.00 0.00 179.25 177.96 1tnp h ALA 25 N -0.12 1.85 -0.56 0.00 0.00 -1.52 -2.31 119.26 116.59 1tnp h ALA 25 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1tnp h ALA 25 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1tnp h ALA 25 CO -0.40 0.12 0.02 0.35 0.00 0.00 0.00 179.25 179.34 1tnp h PHE 26 N 0.16 1.02 0.01 0.00 3.57 -1.28 -2.84 116.94 117.58 1tnp h PHE 26 Ca 0.04 -0.15 -0.20 0.00 3.53 0.00 0.00 57.97 61.19 1tnp h PHE 26 Cb 0.05 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 1tnp h PHE 26 CO 0.00 0.91 -0.93 0.22 -2.23 0.00 0.00 178.31 176.28 1tnp h ASP 27 N 0.88 0.08 -1.11 0.41 3.58 -1.09 -2.97 116.42 116.20 1tnp h ASP 27 Ca 0.17 -0.08 0.31 0.00 0.42 0.00 0.00 57.03 57.85 1tnp h ASP 27 Cb 0.49 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.43 1tnp h ASP 27 CO 0.02 0.96 0.74 0.24 -2.88 0.00 0.00 179.24 178.32 1tnp h MET 28 N 0.03 0.24 0.01 0.28 2.86 -1.22 -1.20 114.93 115.93 1tnp h MET 28 Ca -0.03 -0.01 -0.38 0.00 -2.06 0.00 0.00 59.70 57.22 1tnp h MET 28 Cb 1.61 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 33.15 1tnp h MET 28 CO 0.13 0.16 -2.36 1.19 1.06 0.00 0.00 176.91 177.08 1tnp n PHE 29 N -4.50 0.16 -2.49 -0.22 3.72 -1.23 -4.98 117.46 107.92 1tnp n PHE 29 Ca 0.26 0.04 -0.34 0.00 -0.05 0.00 0.00 57.45 57.36 1tnp n PHE 29 Cb 1.04 -1.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 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 -6.16 6.24 0.00 4.37 -1.08 -0.45 -5.04 116.67 114.55 1tnp s ASP 30 Ca -0.23 1.98 0.00 0.00 -0.52 0.00 0.00 52.55 53.78 1tnp s ASP 30 Cb 0.08 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1tnp s ASP 30 CO 0.71 -0.85 0.07 0.00 0.52 0.00 0.00 175.17 175.61 1tnp n ALA 31 N -1.00 0.00 -3.51 3.66 0.00 -1.26 -4.84 120.51 113.56 1tnp n ALA 31 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 1tnp n ALA 31 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.20 0.95 0.00 0.00 -1.08 -1.26 -4.93 116.67 109.14 1tnp s ASP 32 Ca 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 1tnp s ASP 32 Cb 0.00 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 42.04 1tnp s ASP 32 CO 0.00 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.00 1tnp n GLY 33 N 5.33 2.37 3.84 2.66 0.00 -1.26 -5.01 105.19 113.12 1tnp n GLY 33 Ca -0.05 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -0.70 1.19 -0.02 0.00 -1.26 -4.91 105.19 99.49 1tnp n GLY 34 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.86 -0.03 3.24 -0.02 0.00 -1.26 -5.00 105.19 100.25 1tnp n GLY 35 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1tnp n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tnp s ASP 36 N -5.30 0.15 0.25 1.61 1.11 -1.26 -3.59 116.67 109.64 1tnp s ASP 36 Ca 0.00 -1.26 -0.03 0.00 0.18 0.00 0.00 52.55 51.44 1tnp s ASP 36 Cb 0.00 0.39 -0.03 0.00 1.07 0.00 0.00 42.92 44.35 1tnp s ASP 36 CO 0.00 -0.85 0.27 0.27 1.18 0.00 0.00 175.17 176.04 1tnp s ILE 37 N -4.10 0.00 0.78 0.77 -4.36 -1.12 -4.90 121.20 108.27 1tnp s ILE 37 Ca 0.32 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 1tnp s ILE 37 Cb 0.06 -2.45 0.06 0.00 1.25 0.00 0.00 42.46 41.38 1tnp s ILE 37 CO 0.08 0.00 1.09 -0.55 0.24 0.00 0.00 174.94 175.80 1tnp s SER 38 N -3.17 4.63 0.07 4.36 0.15 -1.26 -3.43 113.70 115.04 1tnp s SER 38 Ca 0.34 1.40 0.02 0.00 0.70 0.00 0.00 55.95 58.42 1tnp s SER 38 Cb 0.04 -2.16 -0.25 0.00 -1.71 0.00 0.00 66.02 61.94 1tnp s SER 38 CO 0.15 -1.90 1.10 0.00 1.20 0.00 0.00 173.24 173.79 1tnp h THR 39 N -1.04 1.46 -0.14 6.45 1.03 -1.98 -2.84 112.91 115.85 1tnp h THR 39 Ca -0.46 -3.13 -0.16 0.00 -0.01 0.00 0.00 66.41 62.65 1tnp h THR 39 Cb 1.26 2.82 -0.01 0.00 -1.07 0.00 0.00 68.15 71.15 1tnp h THR 39 CO 0.58 0.87 -0.58 0.50 -0.01 0.00 0.00 175.52 176.88 1tnp h LYS 40 N 0.03 0.46 0.17 0.00 1.63 -1.94 -3.29 116.57 113.64 1tnp h LYS 40 Ca -0.12 -0.30 -0.33 0.00 -0.85 0.00 0.00 60.65 59.05 1tnp h LYS 40 Cb 1.90 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 33.58 1tnp h LYS 40 CO 0.15 0.91 -1.61 0.93 -3.45 0.00 0.00 179.45 176.38 1tnp h GLU 41 N 0.35 0.37 -0.99 1.90 5.08 -1.98 -3.37 114.58 115.94 1tnp h GLU 41 Ca -0.00 -0.63 0.23 0.00 -1.00 0.00 0.00 59.36 57.96 1tnp h GLU 41 Cb 1.12 0.23 -0.19 0.00 0.50 0.00 0.00 28.75 30.42 1tnp h GLU 41 CO 0.10 1.30 -0.13 1.25 -1.00 0.00 0.00 179.01 180.53 1tnp h LEU 42 N -0.01 -0.73 -0.03 1.33 6.46 -1.56 0.20 115.31 120.96 1tnp h LEU 42 Ca -0.32 0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1tnp h LEU 42 Cb 2.00 0.56 -0.03 0.00 -0.73 0.00 0.00 40.66 42.46 1tnp h LEU 42 CO 0.15 -0.34 -0.25 1.23 -0.62 0.00 0.00 178.44 178.62 1tnp h GLY 43 N 0.00 -1.31 -1.29 3.75 0.00 -1.72 -1.79 103.07 100.72 1tnp h GLY 43 Ca 0.53 0.65 0.45 0.00 0.00 0.00 0.00 47.33 48.96 1tnp h GLY 43 CO -0.98 -0.40 1.21 -0.84 0.00 0.00 0.00 176.54 175.53 1tnp h THR 44 N -0.29 0.11 0.41 4.70 2.02 -0.81 -0.13 112.91 118.93 1tnp h THR 44 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1tnp h THR 44 Cb 0.32 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1tnp h THR 44 CO -0.18 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.09 1tnp h VAL 45 N 0.00 0.53 -0.79 3.16 2.07 -0.80 -1.79 116.25 118.63 1tnp h VAL 45 Ca 0.73 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.89 1tnp h VAL 45 Cb 3.15 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 33.60 1tnp h VAL 45 CO -0.01 0.08 0.52 0.24 0.02 0.00 0.00 177.57 178.42 1tnp h MET 46 N -0.85 0.63 0.03 1.57 2.86 -0.98 -1.46 114.93 116.73 1tnp h MET 46 Ca -0.06 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.33 1tnp h MET 46 Cb 0.55 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1tnp h MET 46 CO 0.09 0.42 -0.98 -0.09 1.06 0.00 0.00 176.91 177.41 1tnp h ARG 47 N 0.65 0.20 -0.66 1.72 2.43 -1.48 -3.23 114.38 114.02 1tnp h ARG 47 Ca 0.37 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1tnp h ARG 47 Cb 0.56 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1tnp h ARG 47 CO -0.14 1.03 0.00 -1.33 -1.51 0.00 0.00 179.97 178.02 1tnp n MET 48 N -3.59 2.08 -0.06 0.20 2.81 -0.56 -3.20 117.12 114.79 1tnp n MET 48 Ca -0.04 -1.01 -0.07 0.00 -1.81 0.00 0.00 57.70 54.76 1tnp n MET 48 Cb 0.87 -1.57 -0.06 0.00 -0.71 0.00 0.00 33.22 31.75 1tnp n MET 48 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1tnp n LEU 49 N 0.22 1.90 0.00 4.03 4.77 -1.15 -5.03 117.00 121.74 1tnp n LEU 49 Ca 0.09 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1tnp n LEU 49 Cb 0.45 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1tnp n LEU 49 CO 0.09 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1tnp n GLY 50 N 2.73 -0.75 3.12 -0.72 0.00 -1.20 -5.16 105.19 103.22 1tnp n GLY 50 Ca -0.19 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1tnp n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tnp s GLN 51 N 0.00 0.73 -0.28 1.61 2.00 -1.21 -5.03 119.66 117.48 1tnp s GLN 51 Ca 0.00 -1.30 0.11 0.00 -2.00 0.00 0.00 55.36 52.18 1tnp s GLN 51 Cb 0.00 0.17 0.47 0.00 0.80 0.00 0.00 33.01 34.45 1tnp s GLN 51 CO 0.00 -0.14 1.17 0.09 -0.50 0.00 0.00 175.29 175.91 1tnp n ASN 52 N 0.03 3.92 -3.11 6.67 4.13 -1.26 -4.69 115.26 120.95 1tnp n ASN 52 Ca -0.11 -3.29 0.00 0.00 1.68 0.00 0.00 54.58 52.85 1tnp n ASN 52 Cb 0.62 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1tnp n PRO 53 N -0.68 -0.22 -4.12 3.52 -0.04 -1.26 -5.11 135.00 127.08 1tnp n PRO 53 Ca 0.33 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1tnp n PRO 53 Cb 0.92 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.29 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 -0.53 0.07 0.32 0.52 -4.23 -1.26 -5.05 115.64 105.49 1tnp s THR 54 Ca 0.00 -1.83 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1tnp s THR 54 Cb 0.00 -2.12 0.15 0.00 1.34 0.00 0.00 72.50 71.87 1tnp s THR 54 CO 0.00 -0.32 1.86 0.07 -0.54 0.00 0.00 174.62 175.69 1tnp h LYS 55 N 2.74 0.57 0.28 3.99 2.10 -1.99 -2.54 116.57 121.72 1tnp h LYS 55 Ca -0.34 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1tnp h LYS 55 Cb 1.22 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1tnp h LYS 55 CO 0.55 0.59 -0.13 0.93 -2.00 0.00 0.00 179.45 179.39 1tnp h GLU 56 N 0.55 -0.36 -0.10 0.07 4.39 -2.01 -2.19 114.58 114.93 1tnp h GLU 56 Ca 0.12 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1tnp h GLU 56 Cb 0.34 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1tnp h GLU 56 CO 0.01 -0.21 -0.25 1.05 -1.16 0.00 0.00 179.01 178.44 1tnp h GLU 57 N -0.41 0.17 -0.54 2.33 4.11 -1.97 -2.30 114.58 115.97 1tnp h GLU 57 Ca -0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.36 1tnp h GLU 57 Cb 0.31 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1tnp h GLU 57 CO 0.06 0.42 0.36 1.25 0.07 0.00 0.00 179.01 181.17 1tnp h LEU 58 N 0.15 0.56 -0.85 3.06 6.46 -0.99 -1.78 115.31 121.92 1tnp h LEU 58 Ca 0.02 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 1tnp h LEU 58 Cb 0.54 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1tnp h LEU 58 CO 0.04 0.39 -0.01 -0.78 -0.62 0.00 0.00 178.44 177.46 1tnp h ASP 59 N 0.65 0.82 0.39 1.25 1.82 -0.81 -2.87 116.42 117.66 1tnp h ASP 59 Ca 0.21 -0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1tnp h ASP 59 Cb 0.04 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.83 1tnp h ASP 59 CO -0.05 0.89 -0.19 0.00 -1.61 0.00 0.00 179.24 178.28 1tnp h ALA 60 N 1.20 -0.52 -1.05 -0.78 0.00 -1.37 -2.77 119.26 113.97 1tnp h ALA 60 Ca 0.15 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.16 1tnp h ALA 60 Cb 0.49 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 1tnp h ALA 60 CO 0.02 -0.68 0.66 0.82 0.00 0.00 0.00 179.25 180.07 1tnp h ILE 61 N -0.76 0.48 0.26 0.00 2.04 -1.47 0.49 117.51 118.55 1tnp h ILE 61 Ca -0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1tnp h ILE 61 Cb 0.52 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1tnp h ILE 61 CO 0.09 0.08 -0.13 0.40 0.00 0.00 0.00 178.15 178.59 1tnp h ILE 62 N 0.42 0.76 -0.96 -0.67 5.03 -1.27 -2.26 117.51 118.56 1tnp h ILE 62 Ca 0.64 -0.10 0.22 0.00 -0.12 0.00 0.00 64.86 65.51 1tnp h ILE 62 Cb 1.53 0.81 -0.08 0.00 -3.03 0.00 0.00 36.82 36.06 1tnp h ILE 62 CO -0.38 0.02 0.63 -0.08 -0.68 0.00 0.00 178.15 177.66 1tnp h GLU 63 N -0.40 0.40 -0.12 2.37 4.81 -0.69 0.15 114.58 121.11 1tnp h GLU 63 Ca -0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1tnp h GLU 63 Cb 0.31 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1tnp h GLU 63 CO 0.06 0.27 -0.06 1.49 -0.73 0.00 0.00 179.01 180.04 1tnp h GLU 64 N 0.41 0.24 -0.94 1.92 4.57 -1.22 -2.91 114.58 116.66 1tnp h GLU 64 Ca 0.51 -0.11 -0.61 0.00 -1.18 0.00 0.00 59.36 57.98 1tnp h GLU 64 Cb 1.28 -0.01 -0.30 0.00 -0.16 0.00 0.00 28.75 29.56 1tnp h GLU 64 CO -0.22 0.59 0.59 0.28 -1.18 0.00 0.00 179.01 179.07 1tnp n VAL 65 N -4.70 3.38 -2.37 0.32 0.31 -0.42 -4.20 118.33 110.66 1tnp n VAL 65 Ca -0.06 -2.90 -0.04 0.00 -0.01 0.00 0.00 64.34 61.32 1tnp n VAL 65 Cb 0.28 -0.99 0.03 0.00 -0.91 0.00 0.00 33.84 32.25 1tnp n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1tnp n ASP 66 N -0.95 -1.06 -0.04 4.52 2.03 0.40 -4.54 116.55 116.93 1tnp n ASP 66 Ca 0.59 -2.10 -0.15 0.00 0.52 0.00 0.00 54.79 53.64 1tnp n ASP 66 Cb 0.89 0.43 -0.13 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.61 0.09 -2.18 -0.67 4.11 -1.68 -3.45 114.58 111.41 1tnp h GLU 67 Ca -0.49 -0.13 -0.06 0.00 0.07 0.00 0.00 59.36 58.75 1tnp h GLU 67 Cb 1.37 0.04 -0.21 0.00 0.50 0.00 0.00 28.75 30.45 1tnp h GLU 67 CO -0.21 0.99 0.06 0.34 0.07 0.00 0.00 179.01 180.26 1tnp s ASP 68 N -6.34 -0.65 0.73 3.06 2.15 -1.26 -5.14 116.67 109.23 1tnp s ASP 68 Ca -0.17 1.14 0.00 0.00 0.43 0.00 0.00 52.55 53.95 1tnp s ASP 68 Cb -0.01 1.13 0.00 0.00 -0.30 0.00 0.00 42.92 43.74 1tnp s ASP 68 CO 0.73 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 1tnp n GLY 69 N 2.32 1.26 7.00 2.66 0.00 -1.26 -4.94 105.19 112.23 1tnp n GLY 69 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1tnp n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tnp n SER 70 N -2.66 -1.70 0.00 1.61 3.41 -1.26 -4.86 113.62 108.17 1tnp n SER 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tnp n SER 70 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tnp n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tnp n GLY 71 N 0.00 2.21 3.54 5.00 0.00 -1.26 -5.09 105.19 109.59 1tnp n GLY 71 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 3.24 0.12 2.61 -4.23 -1.26 -4.40 115.64 111.72 1tnp s THR 72 Ca 0.00 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1tnp s THR 72 Cb 0.00 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1tnp s THR 72 CO 0.00 0.25 0.08 -0.51 -0.54 0.00 0.00 174.62 173.90 1tnp s ILE 73 N -1.07 4.37 0.50 2.99 2.07 -1.22 -5.00 121.20 123.83 1tnp s ILE 73 Ca 0.18 -0.96 0.07 0.00 -1.41 0.00 0.00 60.65 58.53 1tnp s ILE 73 Cb -0.11 -3.15 0.03 0.00 0.13 0.00 0.00 42.46 39.36 1tnp s ILE 73 CO 0.09 0.03 0.50 1.51 -1.91 0.00 0.00 174.94 175.16 1tnp s ASP 74 N -2.66 4.94 0.33 4.50 -4.77 -1.26 -2.80 116.67 114.95 1tnp s ASP 74 Ca 0.29 -0.94 0.10 0.00 -3.30 0.00 0.00 52.55 48.71 1tnp s ASP 74 Cb -0.11 0.01 0.59 0.00 -1.09 0.00 0.00 42.92 42.31 1tnp s ASP 74 CO 0.22 -1.00 1.76 0.15 0.70 0.00 0.00 175.17 177.00 1tnp h PHE 75 N 0.69 0.09 0.70 2.11 3.57 -1.95 -2.50 116.94 119.64 1tnp h PHE 75 Ca -0.37 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1tnp h PHE 75 Cb 1.29 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 40.01 1tnp h PHE 75 CO 0.66 0.48 -0.34 0.93 -2.23 0.00 0.00 178.31 177.81 1tnp h GLU 76 N 0.06 -0.90 -0.72 1.11 4.39 -1.96 -2.82 114.58 113.74 1tnp h GLU 76 Ca 0.00 0.06 0.15 0.00 0.34 0.00 0.00 59.36 59.92 1tnp h GLU 76 Cb 0.76 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 1tnp h GLU 76 CO 0.06 -0.60 0.49 0.93 -1.16 0.00 0.00 179.01 178.72 1tnp h GLU 77 N -1.11 0.33 -0.78 2.33 4.39 -1.97 -1.45 114.58 116.33 1tnp h GLU 77 Ca -0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1tnp h GLU 77 Cb 0.72 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1tnp h GLU 77 CO 0.16 0.22 0.50 0.35 -1.16 0.00 0.00 179.01 179.07 1tnp h PHE 78 N 0.34 1.00 -0.30 4.33 3.57 -1.30 -1.46 116.94 123.11 1tnp h PHE 78 Ca 0.35 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.78 1tnp h PHE 78 Cb 0.90 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1tnp h PHE 78 CO -0.00 0.65 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.46 1tnp h LEU 79 N 1.06 0.55 -1.21 0.59 3.38 -1.02 -2.88 115.31 115.78 1tnp h LEU 79 Ca 0.28 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1tnp h LEU 79 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1tnp h LEU 79 CO -0.06 0.75 0.12 0.58 0.09 0.00 0.00 178.44 179.92 1tnp h VAL 80 N 0.50 1.19 0.08 1.22 2.07 -1.06 -2.82 116.25 117.43 1tnp h VAL 80 Ca 0.08 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1tnp h VAL 80 Cb 0.61 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1tnp h VAL 80 CO 0.04 0.25 -0.04 0.24 0.02 0.00 0.00 177.57 178.09 1tnp h MET 81 N 0.65 -0.10 -0.48 1.57 2.86 -1.22 -2.11 114.93 116.10 1tnp h MET 81 Ca 0.15 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1tnp h MET 81 Cb 0.23 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1tnp h MET 81 CO -0.00 0.29 0.31 0.52 1.06 0.00 0.00 176.91 179.08 1tnp h MET 82 N -0.51 0.60 -0.34 1.72 2.86 -1.50 -1.62 114.93 116.13 1tnp h MET 82 Ca -0.01 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1tnp h MET 82 Cb 0.44 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1tnp h MET 82 CO 0.02 0.40 -0.08 0.28 1.06 0.00 0.00 176.91 178.58 1tnp h VAL 83 N 0.62 1.23 -0.84 -2.22 2.07 -1.55 -2.74 116.25 112.82 1tnp h VAL 83 Ca 0.18 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1tnp h VAL 83 Cb -0.04 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1tnp h VAL 83 CO -0.06 0.33 0.47 0.03 0.02 0.00 0.00 177.57 178.37 1tnp h ARG 84 N 0.54 1.16 0.24 1.57 3.08 -0.59 -2.94 114.38 117.44 1tnp h ARG 84 Ca 0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1tnp h ARG 84 Cb 0.47 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1tnp h ARG 84 CO 0.03 0.84 -0.12 0.37 -1.07 0.00 0.00 179.97 180.02 1tnp h GLN 85 N 1.17 -0.32 -0.99 0.04 5.75 -1.14 -3.24 115.11 116.39 1tnp h GLN 85 Ca 0.30 0.02 0.26 0.00 -0.15 0.00 0.00 58.65 59.08 1tnp h GLN 85 Cb 0.01 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 1tnp h GLN 85 CO -0.05 0.01 0.67 0.52 -2.65 0.00 0.00 178.83 177.33 1tnp h MET 86 N -0.96 0.22 0.49 1.69 2.86 -1.53 0.25 114.93 117.95 1tnp h MET 86 Ca -0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1tnp h MET 86 Cb 0.47 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1tnp h MET 86 CO 0.05 0.15 -0.36 -0.22 1.06 0.00 0.00 176.91 177.59 1tnp h LYS 87 N 0.23 -0.80 0.00 1.72 3.11 -1.54 -3.25 116.57 116.04 1tnp h LYS 87 Ca 0.51 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.41 1tnp h LYS 87 Cb 1.59 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 33.00 1tnp h LYS 87 CO -0.14 -0.54 0.00 -1.91 -2.81 0.00 0.00 179.45 174.05 1tnp n GLU 88 N -5.49 0.00 0.00 1.90 2.13 0.06 -4.96 120.64 114.28 1tnp n GLU 88 Ca -0.11 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1tnp n GLU 88 Cb 0.38 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1tnp n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tnp n ASP 89 N -2.12 0.00 0.00 4.31 2.03 -1.11 -5.15 116.55 114.50 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 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1tnp n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28