#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 6.18 -0.07 0.00 1.04 -1.26 -4.87 113.70 114.72 1tnp s SER 2 Ca 0.00 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 55.79 1tnp s SER 2 Cb 0.00 -2.22 -0.08 0.00 0.10 0.00 0.00 66.02 63.83 1tnp s SER 2 CO 0.00 -0.56 -0.01 0.80 0.98 0.00 0.00 173.24 174.46 1tnp n MET 3 N 5.54 2.10 0.17 4.02 0.00 -1.26 -4.31 117.12 123.38 1tnp n MET 3 Ca -0.08 0.01 0.12 0.00 -0.00 0.00 0.00 57.70 57.75 1tnp n MET 3 Cb 0.47 -1.18 0.62 0.00 0.00 0.00 0.00 33.22 33.13 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 0.00 0.00 -0.63 1.12 2.02 -2.07 -2.20 112.91 111.15 1tnp h THR 4 Ca -0.19 -0.03 -0.45 0.00 0.77 0.00 0.00 66.41 66.51 1tnp h THR 4 Cb 1.40 0.57 -0.40 0.00 -1.74 0.00 0.00 68.15 67.98 1tnp h THR 4 CO -0.00 0.00 -0.86 0.47 0.37 0.00 0.00 175.52 175.50 1tnp n ASP 5 N -2.31 4.02 -0.03 4.18 8.00 -1.26 -4.75 116.55 124.40 1tnp n ASP 5 Ca -0.01 -3.40 -0.16 0.00 0.71 0.00 0.00 54.79 51.93 1tnp n ASP 5 Cb 0.06 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 1tnp n ASP 5 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1tnp h GLN 6 N 2.17 0.55 -0.23 -1.24 1.08 -1.58 -3.05 115.11 112.82 1tnp h GLN 6 Ca 0.24 -0.44 0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1tnp h GLN 6 Cb 1.46 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 28.91 1tnp h GLN 6 CO 0.59 1.06 -0.52 -0.56 -0.95 0.00 0.00 178.83 178.45 1tnp h GLN 7 N 0.17 -0.49 -0.54 1.46 3.07 -1.85 -1.52 115.11 115.42 1tnp h GLN 7 Ca -0.03 0.03 0.07 0.00 0.09 0.00 0.00 58.65 58.82 1tnp h GLN 7 Cb 1.15 0.11 -0.03 0.00 0.08 0.00 0.00 27.48 28.79 1tnp h GLN 7 CO 0.11 -0.32 0.36 0.00 0.09 0.00 0.00 178.83 179.06 1tnp h ALA 8 N -0.10 1.95 -0.56 0.06 0.00 -1.92 -1.87 119.26 116.81 1tnp h ALA 8 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1tnp h ALA 8 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1tnp h ALA 8 CO -0.49 -0.05 0.09 1.49 0.00 0.00 0.00 179.25 180.29 1tnp h GLU 9 N 0.43 0.90 -0.24 0.00 4.81 -1.17 -2.82 114.58 116.48 1tnp h GLU 9 Ca 0.24 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1tnp h GLU 9 Cb 0.39 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1tnp h GLU 9 CO -0.06 0.84 -0.52 0.00 -0.73 0.00 0.00 179.01 178.53 1tnp h ALA 10 N 1.24 0.62 -0.44 2.92 0.00 -0.95 -2.69 119.26 119.96 1tnp h ALA 10 Ca 0.18 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1tnp h ALA 10 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1tnp h ALA 10 CO 0.01 0.68 -0.19 -0.09 0.00 0.00 0.00 179.25 179.66 1tnp h ARG 11 N 0.55 0.91 0.00 0.00 1.12 -1.45 -2.84 114.38 112.67 1tnp h ARG 11 Ca 0.02 -0.39 -0.11 0.00 -1.11 0.00 0.00 59.98 58.39 1tnp h ARG 11 Cb 1.09 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.00 1tnp h ARG 11 CO 0.11 1.04 -0.54 0.00 -3.11 0.00 0.00 179.97 177.46 1tnp h ALA 12 N 0.85 1.09 -0.66 2.80 0.00 -1.51 -3.06 119.26 118.77 1tnp h ALA 12 Ca 0.10 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1tnp h ALA 12 Cb 0.75 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1tnp h ALA 12 CO 0.06 0.68 0.18 0.35 0.00 0.00 0.00 179.25 180.52 1tnp h PHE 13 N 0.00 1.07 -2.07 0.00 3.04 -1.24 -3.44 116.94 114.31 1tnp h PHE 13 Ca -0.01 -0.11 -0.43 0.00 3.98 0.00 0.00 57.97 61.40 1tnp h PHE 13 Cb 0.97 -0.31 0.03 0.00 2.56 0.00 0.00 35.95 39.20 1tnp h PHE 13 CO 0.00 0.87 -0.14 -0.51 -2.02 0.00 0.00 178.31 176.50 1tnp s LEU 14 N -9.48 3.49 0.76 0.59 1.43 -1.15 -5.12 118.68 109.19 1tnp s LEU 14 Ca -0.11 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1tnp s LEU 14 Cb 0.15 -2.80 0.13 0.00 0.03 0.00 0.00 46.19 43.70 1tnp s LEU 14 CO 0.83 -0.92 1.05 -0.94 0.23 0.00 0.00 176.35 176.59 1tnp s SER 15 N -4.37 4.23 0.19 2.29 1.04 -1.26 -4.90 113.70 110.92 1tnp s SER 15 Ca 0.55 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1tnp s SER 15 Cb -0.10 -0.31 0.11 0.00 0.10 0.00 0.00 66.02 65.82 1tnp s SER 15 CO 0.36 -1.95 1.49 -0.33 0.98 0.00 0.00 173.24 173.79 1tnp h GLU 16 N -0.72 0.49 -0.00 4.02 5.08 -1.98 -3.10 114.58 118.37 1tnp h GLU 16 Ca -0.40 -0.33 -0.21 0.00 -1.00 0.00 0.00 59.36 57.42 1tnp h GLU 16 Cb 1.27 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1tnp h GLU 16 CO 0.44 0.95 -0.90 1.49 -1.00 0.00 0.00 179.01 179.98 1tnp h GLU 17 N 0.37 0.32 -0.06 2.33 4.22 -2.00 -3.02 114.58 116.74 1tnp h GLU 17 Ca -0.00 -0.34 -0.11 0.00 0.08 0.00 0.00 59.36 58.98 1tnp h GLU 17 Cb 1.15 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1tnp h GLU 17 CO 0.11 1.04 -0.47 1.98 -2.18 0.00 0.00 179.01 179.48 1tnp h MET 18 N 0.18 0.15 -0.38 1.92 4.05 -1.95 -2.13 114.93 116.77 1tnp h MET 18 Ca -0.06 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1tnp h MET 18 Cb 1.53 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1tnp h MET 18 CO 0.15 0.60 -0.00 0.82 0.23 0.00 0.00 176.91 178.70 1tnp h ILE 19 N 0.12 1.26 -0.53 1.77 2.04 -1.53 -3.13 117.51 117.51 1tnp h ILE 19 Ca 0.01 -1.00 0.11 0.00 1.00 0.00 0.00 64.86 64.97 1tnp h ILE 19 Cb 0.88 1.15 -0.10 0.00 -0.74 0.00 0.00 36.82 38.01 1tnp h ILE 19 CO 0.07 0.34 -0.19 0.00 0.00 0.00 0.00 178.15 178.37 1tnp h ALA 20 N 0.88 0.24 -0.31 1.87 0.00 -1.25 -1.17 119.26 119.51 1tnp h ALA 20 Ca 0.11 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 1tnp h ALA 20 Cb 0.47 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1tnp h ALA 20 CO 0.02 -0.50 -0.34 1.05 0.00 0.00 0.00 179.25 179.48 1tnp h GLU 21 N -0.06 0.69 -0.89 0.00 4.11 -1.60 -3.05 114.58 113.77 1tnp h GLU 21 Ca 0.25 -0.32 0.10 0.00 0.07 0.00 0.00 59.36 59.45 1tnp h GLU 21 Cb 0.45 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1tnp h GLU 21 CO -0.57 0.93 0.54 0.74 0.07 0.00 0.00 179.01 180.71 1tnp h PHE 22 N 0.58 0.98 -0.83 2.06 -1.00 -1.17 -0.57 116.94 117.00 1tnp h PHE 22 Ca 0.06 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1tnp h PHE 22 Cb 0.85 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 1tnp h PHE 22 CO 0.04 0.41 0.44 -0.22 -1.61 0.00 0.00 178.31 177.37 1tnp h LYS 23 N 0.89 1.16 -0.22 1.51 3.64 -1.36 -3.03 116.57 119.17 1tnp h LYS 23 Ca 0.43 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 1tnp h LYS 23 Cb 0.37 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 1tnp h LYS 23 CO -0.24 0.87 -0.23 0.00 -2.27 0.00 0.00 179.45 177.57 1tnp h ALA 24 N 1.24 -0.13 -0.11 5.00 0.00 -1.13 -1.59 119.26 122.54 1tnp h ALA 24 Ca 0.29 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 1tnp h ALA 24 Cb 0.05 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1tnp h ALA 24 CO -0.04 -0.66 -0.26 0.00 0.00 0.00 0.00 179.25 178.29 1tnp h ALA 25 N 0.80 1.37 -0.42 0.00 0.00 -1.51 -2.91 119.26 116.58 1tnp h ALA 25 Ca 0.13 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1tnp h ALA 25 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1tnp h ALA 25 CO -0.37 0.44 0.28 0.35 0.00 0.00 0.00 179.25 179.95 1tnp h PHE 26 N 0.17 0.49 0.00 0.00 3.57 -1.17 -1.60 116.94 118.40 1tnp h PHE 26 Ca 0.03 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 1tnp h PHE 26 Cb 0.55 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1tnp h PHE 26 CO 0.01 0.30 -0.60 0.22 -2.23 0.00 0.00 178.31 176.00 1tnp h ASP 27 N 0.52 0.00 -0.92 0.41 3.58 -1.37 -2.48 116.42 116.15 1tnp h ASP 27 Ca 0.16 0.00 0.27 0.00 0.42 0.00 0.00 57.03 57.88 1tnp h ASP 27 Cb 0.02 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.92 1tnp h ASP 27 CO -0.04 0.60 0.31 0.24 -2.88 0.00 0.00 179.24 177.48 1tnp h MET 28 N 0.00 0.21 0.00 0.28 2.86 -1.35 -2.46 114.93 114.46 1tnp h MET 28 Ca -0.01 -0.01 -0.27 0.00 -2.06 0.00 0.00 59.70 57.35 1tnp h MET 28 Cb 1.28 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 1tnp h MET 28 CO 0.08 0.14 -2.03 1.19 1.06 0.00 0.00 176.91 177.35 1tnp n PHE 29 N -5.20 0.00 -2.60 -0.22 3.72 -1.24 -4.85 117.46 107.06 1tnp n PHE 29 Ca 0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 1tnp n PHE 29 Cb 0.78 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -5.14 6.22 0.00 4.37 2.15 -0.93 -4.91 116.67 118.43 1tnp s ASP 30 Ca -0.13 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1tnp s ASP 30 Cb 0.05 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1tnp s ASP 30 CO 0.54 -1.71 0.00 0.00 -0.17 0.00 0.00 175.17 173.84 1tnp n ALA 31 N 8.94 0.00 -3.71 3.66 0.00 -1.26 -4.43 120.51 123.72 1tnp n ALA 31 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 1tnp n ALA 31 Cb 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.77 1tnp n ALA 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1tnp s ASP 32 N -1.83 2.81 0.00 0.00 1.47 -1.26 -5.01 116.67 112.86 1tnp s ASP 32 Ca 0.00 -0.79 0.00 0.00 1.18 0.00 0.00 52.55 52.94 1tnp s ASP 32 Cb 0.00 -0.52 0.00 0.00 -0.34 0.00 0.00 42.92 42.06 1tnp s ASP 32 CO 0.00 -0.32 0.00 0.61 0.68 0.00 0.00 175.17 176.14 1tnp n GLY 33 N 5.10 -1.29 0.00 2.12 0.00 -1.26 -5.09 105.19 104.77 1tnp n GLY 33 Ca -0.08 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.40 0.00 2.23 -0.02 0.00 -1.26 -4.98 105.19 100.76 1tnp n GLY 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.14 3.33 -0.02 0.00 -1.26 -5.04 105.19 102.35 1tnp n GLY 35 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.45 -0.37 0.23 1.61 1.11 -1.26 -3.69 116.67 110.84 1tnp s ASP 36 Ca 0.09 0.43 -0.08 0.00 0.18 0.00 0.00 52.55 53.17 1tnp s ASP 36 Cb -0.04 0.51 -0.02 0.00 1.07 0.00 0.00 42.92 44.45 1tnp s ASP 36 CO 0.33 -0.41 0.34 0.27 1.18 0.00 0.00 175.17 176.88 1tnp s ILE 37 N -0.91 0.00 0.89 0.77 -5.25 -1.16 -4.83 121.20 110.71 1tnp s ILE 37 Ca -0.10 -1.63 -0.11 0.00 -0.99 0.00 0.00 60.65 57.83 1tnp s ILE 37 Cb -0.04 -2.30 0.13 0.00 2.95 0.00 0.00 42.46 43.21 1tnp s ILE 37 CO 0.05 -0.01 1.11 -0.55 -1.79 0.00 0.00 174.94 173.75 1tnp s SER 38 N -3.07 3.31 0.07 4.36 0.15 -1.26 -3.30 113.70 113.96 1tnp s SER 38 Ca 0.28 1.94 0.03 0.00 0.70 0.00 0.00 55.95 58.90 1tnp s SER 38 Cb 0.02 -2.49 -0.24 0.00 -1.71 0.00 0.00 66.02 61.61 1tnp s SER 38 CO 0.10 -2.81 1.11 0.71 1.20 0.00 0.00 173.24 173.55 1tnp h THR 39 N -1.67 1.48 -0.50 6.45 1.35 -1.92 -2.86 112.91 115.24 1tnp h THR 39 Ca -0.46 -3.16 -0.02 0.00 -0.55 0.00 0.00 66.41 62.23 1tnp h THR 39 Cb 1.26 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 70.47 1tnp h THR 39 CO 0.47 0.88 0.24 0.11 -0.25 0.00 0.00 175.52 176.97 1tnp h LYS 40 N 0.03 0.69 0.01 4.72 1.57 -1.95 -2.90 116.57 118.74 1tnp h LYS 40 Ca -0.11 -0.08 -0.33 0.00 -1.87 0.00 0.00 60.65 58.27 1tnp h LYS 40 Cb 1.88 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 34.00 1tnp h LYS 40 CO 0.15 0.53 -1.98 0.39 -0.57 0.00 0.00 179.45 177.97 1tnp n GLU 41 N -4.39 0.66 -0.35 3.15 -0.58 -1.25 -4.45 120.64 113.43 1tnp n GLU 41 Ca 0.04 0.19 -0.06 0.00 -0.42 0.00 0.00 57.16 56.91 1tnp n GLU 41 Cb 0.12 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.28 1tnp n GLU 41 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1tnp h LEU 42 N 0.00 -1.67 -0.50 -4.62 7.12 -1.28 0.14 115.31 114.50 1tnp h LEU 42 Ca -0.39 0.30 0.07 0.00 0.13 0.00 0.00 57.88 57.98 1tnp h LEU 42 Cb 2.09 0.80 -0.06 0.00 -0.53 0.00 0.00 40.66 42.96 1tnp h LEU 42 CO 0.06 -0.28 0.19 1.23 -0.13 0.00 0.00 178.44 179.50 1tnp h GLY 43 N -0.06 0.67 0.05 3.75 0.00 -1.78 -1.35 103.07 104.35 1tnp h GLY 43 Ca 0.25 -0.11 0.28 0.00 0.00 0.00 0.00 47.33 47.74 1tnp h GLY 43 CO -0.89 0.02 0.69 -0.84 0.00 0.00 0.00 176.54 175.52 1tnp h THR 44 N 0.37 0.52 0.03 4.70 2.02 -0.96 0.30 112.91 119.90 1tnp h THR 44 Ca 0.24 -0.02 -0.25 0.00 0.77 0.00 0.00 66.41 67.15 1tnp h THR 44 Cb 0.24 0.45 0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1tnp h THR 44 CO -0.23 0.01 -0.98 0.58 0.37 0.00 0.00 175.52 175.27 1tnp h VAL 45 N 0.07 1.32 -0.58 3.16 2.07 -0.71 -1.88 116.25 119.69 1tnp h VAL 45 Ca 0.48 -2.26 0.13 0.00 0.82 0.00 0.00 66.70 65.87 1tnp h VAL 45 Cb 1.78 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 34.04 1tnp h VAL 45 CO -0.04 0.69 0.40 0.24 0.02 0.00 0.00 177.57 178.87 1tnp h MET 46 N 0.24 0.18 0.02 1.57 2.86 -0.04 -2.35 114.93 117.41 1tnp h MET 46 Ca -0.13 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.16 1tnp h MET 46 Cb 1.66 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.22 1tnp h MET 46 CO 0.19 0.12 -2.06 -2.13 1.06 0.00 0.00 176.91 174.09 1tnp n ARG 47 N -4.43 0.67 0.05 1.72 0.63 -0.92 -4.22 116.66 110.17 1tnp n ARG 47 Ca 0.10 0.18 0.09 0.00 -0.92 0.00 0.00 57.85 57.31 1tnp n ARG 47 Cb 0.52 -1.66 0.40 0.00 0.45 0.00 0.00 32.46 32.16 1tnp n ARG 47 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1tnp n MET 48 N -3.05 0.08 0.10 -0.14 2.81 -0.71 -1.07 117.12 115.14 1tnp n MET 48 Ca -0.28 0.30 -0.16 0.00 -1.81 0.00 0.00 57.70 55.76 1tnp n MET 48 Cb 1.08 -1.65 -0.14 0.00 -0.71 0.00 0.00 33.22 31.80 1tnp n MET 48 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1tnp h LEU 49 N 0.00 0.42 0.00 4.03 3.38 -1.69 -3.48 115.31 117.97 1tnp h LEU 49 Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1tnp h LEU 49 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1tnp h LEU 49 CO 0.00 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.50 1tnp n GLY 50 N 1.54 1.60 3.72 0.83 0.00 -0.23 -5.17 105.19 107.46 1tnp n GLY 50 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 2.11 -0.30 1.61 2.00 -1.00 -4.94 119.66 119.14 1tnp s GLN 51 Ca 0.00 -1.50 0.20 0.00 -2.00 0.00 0.00 55.36 52.06 1tnp s GLN 51 Cb 0.00 0.57 0.48 0.00 0.80 0.00 0.00 33.01 34.86 1tnp s GLN 51 CO 0.00 -0.96 1.04 0.09 -0.50 0.00 0.00 175.29 174.96 1tnp n ASN 52 N -1.34 1.36 -3.08 6.67 4.13 -1.26 -4.96 115.26 116.77 1tnp n ASN 52 Ca -0.05 -2.40 0.00 0.00 1.68 0.00 0.00 54.58 53.80 1tnp n ASN 52 Cb 0.60 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 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 -0.33 1.40 -4.19 3.52 -0.04 -1.26 -5.12 135.00 128.98 1tnp n PRO 53 Ca 0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1tnp n PRO 53 Cb 0.81 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.00 0.79 0.29 0.52 2.01 -1.26 -5.05 115.64 112.94 1tnp s THR 54 Ca 0.00 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1tnp s THR 54 Cb 0.00 -0.76 0.06 0.00 0.01 0.00 0.00 72.50 71.81 1tnp s THR 54 CO 0.00 -0.14 1.73 0.11 -0.69 0.00 0.00 174.62 175.63 1tnp h LYS 55 N 4.89 0.39 -0.49 4.92 1.57 -2.01 -2.55 116.57 123.30 1tnp h LYS 55 Ca -0.36 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1tnp h LYS 55 Cb 1.19 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1tnp h LYS 55 CO 0.43 0.65 0.08 1.49 -0.57 0.00 0.00 179.45 181.54 1tnp h GLU 56 N 0.34 0.76 -0.63 3.15 4.81 -2.01 -2.73 114.58 118.26 1tnp h GLU 56 Ca 0.05 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1tnp h GLU 56 Cb 0.70 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1tnp h GLU 56 CO 0.05 0.72 0.05 0.93 -0.73 0.00 0.00 179.01 180.03 1tnp h GLU 57 N 0.73 1.09 -0.74 1.92 4.39 -1.88 -2.29 114.58 117.80 1tnp h GLU 57 Ca 0.16 -0.32 0.15 0.00 0.34 0.00 0.00 59.36 59.68 1tnp h GLU 57 Cb 0.33 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1tnp h GLU 57 CO 0.00 1.03 0.49 1.25 -1.16 0.00 0.00 179.01 180.63 1tnp h LEU 58 N 1.00 0.37 -0.52 1.33 6.46 -1.34 -0.75 115.31 121.86 1tnp h LEU 58 Ca 0.19 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1tnp h LEU 58 Cb 0.51 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1tnp h LEU 58 CO 0.02 0.19 0.14 0.44 -0.62 0.00 0.00 178.44 178.62 1tnp h ASP 59 N 0.40 0.78 0.21 1.25 3.32 -1.37 -2.69 116.42 118.31 1tnp h ASP 59 Ca 0.36 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1tnp h ASP 59 Cb 0.84 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1tnp h ASP 59 CO -0.11 0.80 -0.10 0.00 -1.72 0.00 0.00 179.24 178.10 1tnp h ALA 60 N 1.01 -0.29 -0.98 3.45 0.00 -1.13 -2.38 119.26 118.94 1tnp h ALA 60 Ca 0.16 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1tnp h ALA 60 Cb 0.31 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1tnp h ALA 60 CO -0.00 -0.58 0.61 0.82 0.00 0.00 0.00 179.25 180.10 1tnp h ILE 61 N -0.45 0.75 -0.49 0.00 2.04 -1.50 -0.37 117.51 117.49 1tnp h ILE 61 Ca -0.03 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1tnp h ILE 61 Cb 0.34 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1tnp h ILE 61 CO 0.05 0.14 -0.05 0.40 0.00 0.00 0.00 178.15 178.69 1tnp h ILE 62 N 0.75 1.25 -0.31 -0.67 5.03 -1.11 -2.56 117.51 119.90 1tnp h ILE 62 Ca 0.54 -1.11 -0.10 0.00 -0.12 0.00 0.00 64.86 64.07 1tnp h ILE 62 Cb 0.85 0.93 -0.01 0.00 -3.03 0.00 0.00 36.82 35.56 1tnp h ILE 62 CO -0.31 0.39 -0.24 -0.08 -0.68 0.00 0.00 178.15 177.22 1tnp h GLU 63 N 0.78 0.60 -0.18 2.37 4.57 -0.59 -1.88 114.58 120.26 1tnp h GLU 63 Ca 0.14 -0.23 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 1tnp h GLU 63 Cb 0.53 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1tnp h GLU 63 CO 0.03 0.79 -0.17 1.49 -1.18 0.00 0.00 179.01 179.97 1tnp h GLU 64 N 0.53 0.43 0.00 1.92 4.81 -1.07 -3.06 114.58 118.14 1tnp h GLU 64 Ca 0.08 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 1tnp h GLU 64 Cb 0.70 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1tnp h GLU 64 CO 0.05 0.79 -0.74 -0.24 -0.73 0.00 0.00 179.01 178.15 1tnp h VAL 65 N 0.09 1.49 -1.95 0.32 3.04 -1.50 -3.31 116.25 114.43 1tnp h VAL 65 Ca 0.03 -2.55 -0.69 0.00 -1.01 0.00 0.00 66.70 62.48 1tnp h VAL 65 Cb 0.71 2.39 -0.34 0.00 -2.01 0.00 0.00 31.29 32.03 1tnp h VAL 65 CO 0.04 0.72 0.20 -0.67 -1.01 0.00 0.00 177.57 176.85 1tnp n ASP 66 N -3.61 6.09 0.05 3.17 -0.08 -0.71 -4.72 116.55 116.75 1tnp n ASP 66 Ca -0.01 -3.75 -0.01 0.00 -1.51 0.00 0.00 54.79 49.51 1tnp n ASP 66 Cb 0.73 -0.81 0.26 0.00 2.34 0.00 0.00 41.12 43.64 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1tnp h GLU 67 N 3.09 0.37 0.00 -0.67 5.08 -1.63 -3.45 114.58 117.38 1tnp h GLU 67 Ca 0.40 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1tnp h GLU 67 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1tnp h GLU 67 CO 1.10 0.59 0.00 -3.47 -1.00 0.00 0.00 179.01 176.23 1tnp n ASP 68 N -4.15 -1.67 -1.14 1.42 2.03 -1.26 -5.12 116.55 106.66 1tnp n ASP 68 Ca -0.00 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1tnp n ASP 68 Cb 0.38 1.73 0.00 0.00 -0.72 0.00 0.00 41.12 42.51 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 -0.41 0.92 0.47 0.27 0.00 -1.26 -5.06 105.19 100.12 1tnp n GLY 69 Ca 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.19 1tnp n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tnp n SER 70 N -0.08 -2.78 0.00 1.61 2.88 -1.26 -4.47 113.62 109.51 1tnp n SER 70 Ca 0.00 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1tnp n SER 70 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1tnp n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tnp n GLY 71 N -3.05 -0.17 0.00 0.46 0.00 -1.26 -4.98 105.19 96.19 1tnp n GLY 71 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.76 0.00 -3.73 2.61 -2.24 -1.26 -4.56 114.28 103.34 1tnp n THR 72 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1tnp n THR 72 Cb 0.00 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 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 0.73 0.01 0.27 2.28 1.10 -1.21 -4.92 121.20 119.45 1tnp s ILE 73 Ca 0.00 -0.05 0.04 0.00 -0.51 0.00 0.00 60.65 60.13 1tnp s ILE 73 Cb 0.00 -0.61 0.04 0.00 0.15 0.00 0.00 42.46 42.04 1tnp s ILE 73 CO 0.00 -0.03 0.30 -0.90 -2.11 0.00 0.00 174.94 172.20 1tnp n ASP 74 N 2.63 1.38 0.06 4.50 5.68 -1.26 -2.98 116.55 126.56 1tnp n ASP 74 Ca -0.14 -1.81 -0.08 0.00 -0.50 0.00 0.00 54.79 52.26 1tnp n ASP 74 Cb 0.57 -0.12 -0.12 0.00 -1.14 0.00 0.00 41.12 40.31 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1tnp h PHE 75 N 0.29 0.07 0.11 2.11 3.57 -1.97 -2.78 116.94 118.34 1tnp h PHE 75 Ca -0.15 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1tnp h PHE 75 Cb 0.60 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1tnp h PHE 75 CO 0.00 1.04 -0.05 1.05 -2.23 0.00 0.00 178.31 178.12 1tnp h GLU 76 N 0.01 -0.14 -0.27 1.11 4.11 -1.97 -2.75 114.58 114.69 1tnp h GLU 76 Ca -0.04 0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1tnp h GLU 76 Cb 1.81 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 1tnp h GLU 76 CO 0.14 0.15 -0.06 1.49 0.07 0.00 0.00 179.01 180.79 1tnp h GLU 77 N -0.42 0.42 -0.70 1.06 4.81 -1.96 -2.58 114.58 115.20 1tnp h GLU 77 Ca -0.01 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1tnp h GLU 77 Cb 0.35 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1tnp h GLU 77 CO 0.02 0.50 0.38 0.35 -0.73 0.00 0.00 179.01 179.53 1tnp h PHE 78 N 0.40 0.69 -0.40 0.92 3.57 -1.34 -1.31 116.94 119.46 1tnp h PHE 78 Ca 0.08 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1tnp h PHE 78 Cb 0.36 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1tnp h PHE 78 CO 0.01 0.29 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.28 1tnp h LEU 79 N 0.67 0.63 -1.06 0.59 3.38 -1.17 -2.62 115.31 115.73 1tnp h LEU 79 Ca 0.33 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1tnp h LEU 79 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1tnp h LEU 79 CO -0.22 0.72 0.15 0.58 0.09 0.00 0.00 178.44 179.76 1tnp h VAL 80 N 0.62 1.22 -0.11 1.22 2.07 -1.15 -2.74 116.25 117.38 1tnp h VAL 80 Ca 0.12 -0.77 -0.24 0.00 0.82 0.00 0.00 66.70 66.64 1tnp h VAL 80 Cb 0.43 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1tnp h VAL 80 CO 0.02 0.29 -0.85 0.24 0.02 0.00 0.00 177.57 177.29 1tnp h MET 81 N 0.80 0.78 0.02 1.57 2.86 -1.11 -2.78 114.93 117.06 1tnp h MET 81 Ca 0.18 -0.68 -0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1tnp h MET 81 Cb 0.26 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1tnp h MET 81 CO -0.01 1.28 -0.01 0.52 1.06 0.00 0.00 176.91 179.76 1tnp h MET 82 N 0.51 -0.03 -0.39 1.72 2.07 -1.23 -2.02 114.93 115.56 1tnp h MET 82 Ca -0.07 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 1tnp h MET 82 Cb 1.49 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 31.21 1tnp h MET 82 CO 0.17 0.05 0.20 -0.39 1.07 0.00 0.00 176.91 178.01 1tnp h VAL 83 N -0.10 1.17 -0.91 -2.22 -1.51 -1.59 -2.29 116.25 108.79 1tnp h VAL 83 Ca -0.00 -0.46 0.20 0.00 -1.23 0.00 0.00 66.70 65.21 1tnp h VAL 83 Cb 0.09 0.75 -0.07 0.00 -2.13 0.00 0.00 31.29 29.93 1tnp h VAL 83 CO 0.00 0.18 0.60 0.03 -1.23 0.00 0.00 177.57 177.15 1tnp h ARG 84 N 0.49 0.43 0.05 5.19 2.47 -1.21 -1.69 114.38 120.12 1tnp h ARG 84 Ca 0.14 -0.03 -0.25 0.00 -1.26 0.00 0.00 59.98 58.57 1tnp h ARG 84 Cb 0.10 -0.10 0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1tnp h ARG 84 CO -0.02 0.28 -1.03 0.37 0.56 0.00 0.00 179.97 180.14 1tnp h GLN 85 N 0.44 0.60 -0.44 0.04 5.75 -0.83 -3.16 115.11 117.52 1tnp h GLN 85 Ca 0.47 -0.72 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1tnp h GLN 85 Cb 1.13 0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.88 1tnp h GLN 85 CO -0.19 1.31 0.13 0.52 -2.65 0.00 0.00 178.83 177.95 1tnp h MET 86 N 0.22 0.64 0.13 1.69 2.86 -0.90 -2.72 114.93 116.85 1tnp h MET 86 Ca -0.14 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1tnp h MET 86 Cb 1.71 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.26 1tnp h MET 86 CO 0.20 0.57 -0.06 -0.22 1.06 0.00 0.00 176.91 178.46 1tnp h LYS 87 N 0.63 -0.17 -7.06 1.72 3.64 -1.53 -3.44 116.57 110.37 1tnp h LYS 87 Ca 0.15 0.01 -0.54 0.00 -1.27 0.00 0.00 60.65 59.00 1tnp h LYS 87 Cb 0.20 0.04 0.12 0.00 -0.41 0.00 0.00 32.23 32.18 1tnp h LYS 87 CO -0.01 0.17 0.55 -2.00 -2.27 0.00 0.00 179.45 175.90 1tnp s GLU 88 N -4.69 3.13 0.00 1.90 2.56 -1.03 -5.00 118.70 115.57 1tnp s GLU 88 Ca -0.15 2.06 0.00 0.00 0.00 0.00 0.00 54.97 56.89 1tnp s GLU 88 Cb 0.02 -2.17 0.00 0.00 2.00 0.00 0.00 34.13 33.99 1tnp s GLU 88 CO 0.61 -1.15 0.40 -3.47 -0.56 0.00 0.00 175.26 171.10 1tnp n ASP 89 N -1.16 0.00 -0.57 -1.70 2.03 -1.26 -4.93 116.55 108.96 1tnp n ASP 89 Ca 0.11 0.64 0.07 0.00 0.52 0.00 0.00 54.79 56.13 1tnp n ASP 89 Cb 0.47 -0.42 0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1tnp n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28