#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 -0.80 -0.63 0.00 0.15 -1.26 -5.03 113.70 106.12 1tnp s SER 2 Ca 0.00 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.19 1tnp s SER 2 Cb 0.00 1.03 0.46 0.00 -1.71 0.00 0.00 66.02 65.80 1tnp s SER 2 CO 0.00 -0.08 2.03 0.23 1.20 0.00 0.00 173.24 176.61 1tnp n MET 3 N 3.89 2.61 -0.33 5.44 2.00 -1.26 -4.66 117.12 124.81 1tnp n MET 3 Ca 0.08 -3.19 0.36 0.00 0.00 0.00 0.00 57.70 54.95 1tnp n MET 3 Cb 0.61 -2.25 0.75 0.00 0.00 0.00 0.00 33.22 32.33 1tnp n MET 3 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1tnp h THR 4 N 1.00 0.37 0.00 2.03 1.35 -2.08 -3.22 112.91 112.35 1tnp h THR 4 Ca 0.60 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 66.25 1tnp h THR 4 Cb 1.00 0.38 -0.14 0.00 -1.73 0.00 0.00 68.15 67.66 1tnp h THR 4 CO 1.52 0.00 -0.42 -0.90 -0.25 0.00 0.00 175.52 175.47 1tnp n ASP 5 N -4.12 -2.52 0.05 5.36 5.75 -1.26 -4.99 116.55 114.82 1tnp n ASP 5 Ca 0.26 -3.29 -0.10 0.00 -0.01 0.00 0.00 54.79 51.65 1tnp n ASP 5 Cb 1.28 1.77 0.03 0.00 -1.03 0.00 0.00 41.12 43.17 1tnp n ASP 5 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1tnp h GLN 6 N 3.49 0.40 -0.85 0.11 3.07 -1.88 -3.08 115.11 116.36 1tnp h GLN 6 Ca -0.14 -0.32 0.16 0.00 0.09 0.00 0.00 58.65 58.43 1tnp h GLN 6 Cb 1.08 0.07 -0.10 0.00 0.08 0.00 0.00 27.48 28.60 1tnp h GLN 6 CO 0.21 0.96 0.43 1.96 0.09 0.00 0.00 178.83 182.47 1tnp h GLN 7 N 0.28 0.57 0.06 0.06 1.08 -1.89 -1.69 115.11 113.58 1tnp h GLN 7 Ca -0.03 -0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 56.90 1tnp h GLN 7 Cb 1.29 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1tnp h GLN 7 CO 0.12 0.37 -1.13 0.00 -0.95 0.00 0.00 178.83 177.25 1tnp h ALA 8 N 1.58 0.24 -0.59 3.87 0.00 -1.93 -3.31 119.26 119.12 1tnp h ALA 8 Ca 0.47 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1tnp h ALA 8 Cb 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1tnp h ALA 8 CO -0.39 1.13 0.31 1.49 0.00 0.00 0.00 179.25 181.80 1tnp h GLU 9 N 0.03 0.81 -0.15 0.00 4.81 -1.22 -2.59 114.58 116.27 1tnp h GLU 9 Ca -0.07 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 58.85 1tnp h GLU 9 Cb 1.87 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 31.09 1tnp h GLU 9 CO 0.16 0.60 -0.78 0.00 -0.73 0.00 0.00 179.01 178.26 1tnp h ALA 10 N 1.53 0.30 -0.29 2.92 0.00 -1.58 -3.25 119.26 118.88 1tnp h ALA 10 Ca 0.21 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1tnp h ALA 10 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tnp h ALA 10 CO -0.03 0.68 -0.28 -0.09 0.00 0.00 0.00 179.25 179.53 1tnp h ARG 11 N 0.54 0.58 -0.03 0.00 1.12 -1.60 -2.88 114.38 112.12 1tnp h ARG 11 Ca -0.05 -0.24 -0.01 0.00 -1.11 0.00 0.00 59.98 58.57 1tnp h ARG 11 Cb 1.41 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 31.35 1tnp h ARG 11 CO 0.16 0.80 -0.00 0.00 -3.11 0.00 0.00 179.97 177.82 1tnp h ALA 12 N 1.19 1.93 0.14 2.80 0.00 -1.50 -2.77 119.26 121.06 1tnp h ALA 12 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1tnp h ALA 12 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tnp h ALA 12 CO 0.06 0.05 -0.07 0.35 0.00 0.00 0.00 179.25 179.64 1tnp h PHE 13 N 0.04 -0.18 -1.58 0.00 3.04 -1.60 -3.45 116.94 113.22 1tnp h PHE 13 Ca 0.01 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1tnp h PHE 13 Cb 0.04 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.61 1tnp h PHE 13 CO 0.00 0.08 0.00 1.28 -2.02 0.00 0.00 178.31 177.65 1tnp n LEU 14 N -5.07 0.00 0.00 0.59 4.77 -1.04 -5.10 117.00 111.15 1tnp n LEU 14 Ca -0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 1tnp n LEU 14 Cb 0.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1tnp n LEU 14 CO 0.33 -0.73 0.08 -1.20 -1.33 0.00 0.00 177.39 174.53 1tnp n SER 15 N -2.66 0.70 0.04 -1.43 7.64 -1.26 -5.03 113.62 111.63 1tnp n SER 15 Ca 0.00 -1.40 -0.22 0.00 1.01 0.00 0.00 58.87 58.26 1tnp n SER 15 Cb 0.00 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 62.97 1tnp n SER 15 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1tnp h GLU 16 N 0.00 0.33 0.07 1.43 5.08 -1.98 -3.36 114.58 116.14 1tnp h GLU 16 Ca -0.07 -0.56 -0.25 0.00 -1.00 0.00 0.00 59.36 57.49 1tnp h GLU 16 Cb 0.31 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1tnp h GLU 16 CO 0.10 1.27 -1.09 0.93 -1.00 0.00 0.00 179.01 179.22 1tnp h GLU 17 N -0.11 0.27 -0.78 2.33 5.08 -2.02 -3.24 114.58 116.11 1tnp h GLU 17 Ca -0.31 -0.38 0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1tnp h GLU 17 Cb 1.92 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 1tnp h GLU 17 CO 0.13 1.13 0.51 1.98 -1.00 0.00 0.00 179.01 181.76 1tnp h MET 18 N 0.11 0.60 -0.30 2.33 4.05 -1.98 -1.40 114.93 118.34 1tnp h MET 18 Ca -0.10 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1tnp h MET 18 Cb 1.79 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 32.44 1tnp h MET 18 CO 0.18 0.40 0.18 0.82 0.23 0.00 0.00 176.91 178.72 1tnp h ILE 19 N 0.62 1.10 -0.66 1.77 1.08 -1.70 -2.30 117.51 117.42 1tnp h ILE 19 Ca 0.37 -0.24 0.12 0.00 -0.39 0.00 0.00 64.86 64.73 1tnp h ILE 19 Cb 0.60 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1tnp h ILE 19 CO -0.14 0.10 0.44 0.00 -0.69 0.00 0.00 178.15 177.86 1tnp h ALA 20 N 1.08 2.08 -0.11 1.87 0.00 -1.40 -1.39 119.26 121.39 1tnp h ALA 20 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1tnp h ALA 20 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1tnp h ALA 20 CO -0.02 -0.24 -0.77 1.49 0.00 0.00 0.00 179.25 179.71 1tnp h GLU 21 N 0.39 0.58 0.90 0.00 4.81 -1.42 -2.91 114.58 116.94 1tnp h GLU 21 Ca 0.31 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1tnp h GLU 21 Cb 0.68 0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.17 1tnp h GLU 21 CO -0.09 1.11 -0.43 0.74 -0.73 0.00 0.00 179.01 179.61 1tnp h PHE 22 N 0.39 -1.12 -0.84 0.92 -1.00 -1.07 -2.68 116.94 111.54 1tnp h PHE 22 Ca -0.04 -0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.85 1tnp h PHE 22 Cb 1.37 0.37 -0.06 0.00 3.61 0.00 0.00 35.95 41.24 1tnp h PHE 22 CO 0.06 -0.70 0.55 1.57 -1.61 0.00 0.00 178.31 178.18 1tnp h LYS 23 N -1.22 0.57 -0.15 1.51 2.10 -1.60 -2.77 116.57 115.00 1tnp h LYS 23 Ca -0.12 -0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 1tnp h LYS 23 Cb 0.93 -0.13 -0.07 0.00 -0.90 0.00 0.00 32.23 32.07 1tnp h LYS 23 CO 0.20 0.38 -0.51 0.00 -2.00 0.00 0.00 179.45 177.52 1tnp h ALA 24 N 1.62 -0.79 -0.01 0.07 0.00 -1.26 -1.72 119.26 117.17 1tnp h ALA 24 Ca 0.41 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1tnp h ALA 24 Cb 0.76 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1tnp h ALA 24 CO -0.17 -1.04 -0.48 0.00 0.00 0.00 0.00 179.25 177.57 1tnp h ALA 25 N -0.14 1.19 -0.63 0.00 0.00 -1.49 -2.96 119.26 115.23 1tnp h ALA 25 Ca 0.05 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1tnp h ALA 25 Cb 0.66 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1tnp h ALA 25 CO -0.44 0.60 0.42 0.35 0.00 0.00 0.00 179.25 180.18 1tnp h PHE 26 N 0.02 0.45 -0.02 0.00 3.57 -1.07 -0.73 116.94 119.16 1tnp h PHE 26 Ca -0.00 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 1tnp h PHE 26 Cb 0.85 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1tnp h PHE 26 CO 0.00 0.21 -0.82 0.22 -2.23 0.00 0.00 178.31 175.69 1tnp h ASP 27 N 0.42 0.30 -0.81 0.41 1.82 -1.30 -2.54 116.42 114.72 1tnp h ASP 27 Ca 0.29 -0.23 0.18 0.00 -0.39 0.00 0.00 57.03 56.88 1tnp h ASP 27 Cb 0.58 -0.09 -0.11 0.00 0.68 0.00 0.00 39.33 40.39 1tnp h ASP 27 CO -0.08 1.00 0.30 -0.03 -1.61 0.00 0.00 179.24 178.82 1tnp h MET 28 N 0.15 0.36 0.07 0.28 4.05 -1.20 -1.86 114.93 116.78 1tnp h MET 28 Ca -0.04 -0.02 -0.32 0.00 -0.28 0.00 0.00 59.70 59.04 1tnp h MET 28 Cb 1.43 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.12 1tnp h MET 28 CO 0.13 0.24 -1.78 0.74 0.23 0.00 0.00 176.91 176.47 1tnp h PHE 29 N 0.37 0.29 -4.22 1.39 -1.00 -1.61 -3.47 116.94 108.69 1tnp h PHE 29 Ca 0.48 -0.21 -0.46 0.00 2.81 0.00 0.00 57.97 60.58 1tnp h PHE 29 Cb 0.83 -0.01 0.13 0.00 3.61 0.00 0.00 35.95 40.51 1tnp h PHE 29 CO -0.19 1.39 0.30 0.34 -1.61 0.00 0.00 178.31 178.54 1tnp s ASP 30 N -6.66 3.59 0.00 2.17 2.15 -0.70 -5.05 116.67 112.17 1tnp s ASP 30 Ca -0.12 1.03 0.00 0.00 0.43 0.00 0.00 52.55 53.88 1tnp s ASP 30 Cb 0.07 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 1tnp s ASP 30 CO 0.81 -2.51 0.31 0.00 -0.17 0.00 0.00 175.17 173.61 1tnp n ALA 31 N -3.74 -0.10 -0.34 3.66 0.00 -1.26 -4.86 120.51 113.87 1tnp n ALA 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1tnp n ALA 31 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1tnp n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1tnp n ASP 32 N -1.17 0.00 -1.46 0.00 -0.08 -1.26 -4.97 116.55 107.61 1tnp n ASP 32 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1tnp n ASP 32 Cb 0.00 0.18 0.15 0.00 2.34 0.00 0.00 41.12 43.79 1tnp n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1tnp n GLY 33 N -0.12 5.36 0.00 0.27 0.00 -1.26 -4.86 105.19 104.57 1tnp n GLY 33 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.02 -2.80 0.00 -0.02 0.00 -1.26 -4.98 105.19 95.12 1tnp n GLY 34 Ca 0.38 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.80 3.31 3.30 -0.02 0.00 -1.26 -5.08 105.19 104.65 1tnp n GLY 35 Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 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 2.24 0.16 1.61 1.47 -1.26 -3.94 116.67 116.95 1tnp s ASP 36 Ca 0.00 -0.97 -0.03 0.00 1.18 0.00 0.00 52.55 52.73 1tnp s ASP 36 Cb 0.00 -0.09 -0.03 0.00 -0.34 0.00 0.00 42.92 42.46 1tnp s ASP 36 CO 0.00 -0.21 0.14 0.27 0.68 0.00 0.00 175.17 176.05 1tnp s ILE 37 N -2.89 0.06 0.49 2.11 -5.25 -1.04 -4.94 121.20 109.75 1tnp s ILE 37 Ca 0.18 -1.81 -0.23 0.00 -0.99 0.00 0.00 60.65 57.80 1tnp s ILE 37 Cb -0.01 -2.13 -0.06 0.00 2.95 0.00 0.00 42.46 43.20 1tnp s ILE 37 CO 0.04 -0.29 1.25 -0.94 -1.79 0.00 0.00 174.94 173.22 1tnp s SER 38 N -3.06 5.83 0.18 4.36 1.04 -1.26 -3.50 113.70 117.28 1tnp s SER 38 Ca 0.27 2.52 0.04 0.00 0.48 0.00 0.00 55.95 59.25 1tnp s SER 38 Cb 0.06 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1tnp s SER 38 CO 0.04 -1.17 1.41 0.00 0.98 0.00 0.00 173.24 174.51 1tnp h THR 39 N 1.76 1.51 -0.96 2.02 1.03 -1.93 -3.14 112.91 113.19 1tnp h THR 39 Ca -0.50 -2.61 0.24 0.00 -0.01 0.00 0.00 66.41 63.53 1tnp h THR 39 Cb 1.27 2.44 -0.07 0.00 -1.07 0.00 0.00 68.15 70.72 1tnp h THR 39 CO 0.59 0.76 0.64 0.50 -0.01 0.00 0.00 175.52 178.00 1tnp h LYS 40 N 0.08 0.30 0.00 0.00 3.64 -1.94 -1.50 116.57 117.15 1tnp h LYS 40 Ca -0.03 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 58.99 1tnp h LYS 40 Cb 1.46 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.15 1tnp h LYS 40 CO 0.12 0.20 -2.32 0.39 -2.27 0.00 0.00 179.45 175.57 1tnp n GLU 41 N -4.48 0.68 -0.32 1.90 1.02 -1.24 -4.49 120.64 113.70 1tnp n GLU 41 Ca 0.21 -0.00 0.29 0.00 -0.02 0.00 0.00 57.16 57.64 1tnp n GLU 41 Cb 0.83 -1.54 0.54 0.00 -0.02 0.00 0.00 31.44 31.25 1tnp n GLU 41 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1tnp h LEU 42 N 0.00 0.28 -0.11 -4.62 5.85 -1.22 0.28 115.31 115.78 1tnp h LEU 42 Ca -0.50 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1tnp h LEU 42 Cb 2.15 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 43.44 1tnp h LEU 42 CO 0.03 -0.37 0.01 1.23 -0.34 0.00 0.00 178.44 179.01 1tnp h GLY 43 N 0.07 0.20 -0.95 3.75 0.00 -1.79 -2.29 103.07 102.06 1tnp h GLY 43 Ca 0.80 -0.13 0.42 0.00 0.00 0.00 0.00 47.33 48.41 1tnp h GLY 43 CO -0.75 0.12 0.97 -0.84 0.00 0.00 0.00 176.54 176.05 1tnp h THR 44 N -0.06 0.24 0.01 4.70 2.02 -0.71 0.39 112.91 119.51 1tnp h THR 44 Ca 0.03 -0.03 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 1tnp h THR 44 Cb 0.31 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1tnp h THR 44 CO 0.00 0.01 -0.70 -0.37 0.37 0.00 0.00 175.52 174.84 1tnp h VAL 45 N 0.08 1.41 -1.20 3.16 -1.51 -1.23 -2.32 116.25 114.64 1tnp h VAL 45 Ca 0.73 -2.14 0.34 0.00 -1.23 0.00 0.00 66.70 64.41 1tnp h VAL 45 Cb 2.63 2.61 -0.08 0.00 -2.13 0.00 0.00 31.29 34.31 1tnp h VAL 45 CO -0.16 0.63 0.81 0.24 -1.23 0.00 0.00 177.57 177.86 1tnp h MET 46 N -0.04 0.17 0.18 5.19 2.86 0.13 -0.49 114.93 122.93 1tnp h MET 46 Ca -0.09 -0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.19 1tnp h MET 46 Cb 1.41 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.04 1tnp h MET 46 CO 0.14 0.11 -1.72 0.00 1.06 0.00 0.00 176.91 176.50 1tnp h ARG 47 N 0.17 0.39 0.00 1.72 3.08 -1.29 -3.28 114.38 115.17 1tnp h ARG 47 Ca 0.65 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1tnp h ARG 47 Cb 2.12 0.25 0.00 0.00 0.08 0.00 0.00 29.97 32.41 1tnp h ARG 47 CO -0.20 1.30 0.00 -0.12 -1.07 0.00 0.00 179.97 179.88 1tnp n MET 48 N -3.58 0.99 -0.05 0.04 1.56 -0.28 -2.58 117.12 113.23 1tnp n MET 48 Ca -0.23 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.04 1tnp n MET 48 Cb 1.08 -1.22 -0.14 0.00 2.15 0.00 0.00 33.22 35.09 1tnp n MET 48 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1tnp n LEU 49 N -0.72 1.81 0.00 -0.89 4.77 -0.68 -4.99 117.00 116.30 1tnp n LEU 49 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1tnp n LEU 49 Cb 0.05 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1tnp n LEU 49 CO 0.08 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1tnp n GLY 50 N 1.90 0.06 3.54 -0.72 0.00 -1.06 -5.15 105.19 103.76 1tnp n GLY 50 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 1.86 -0.37 1.61 -0.21 -1.19 -5.07 119.66 116.29 1tnp s GLN 51 Ca 0.00 -2.09 0.13 0.00 0.02 0.00 0.00 55.36 53.42 1tnp s GLN 51 Cb 0.00 -1.02 0.40 0.00 1.00 0.00 0.00 33.01 33.40 1tnp s GLN 51 CO 0.00 -0.27 1.02 0.09 -2.12 0.00 0.00 175.29 174.01 1tnp n ASN 52 N -0.98 0.05 -3.10 5.90 3.02 -1.26 -4.66 115.26 114.23 1tnp n ASN 52 Ca -0.06 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.65 1tnp n ASN 52 Cb 0.66 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tnp n PRO 53 N -0.07 0.76 -4.07 3.52 -0.04 -1.26 -5.08 135.00 128.75 1tnp n PRO 53 Ca 0.09 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 1tnp n PRO 53 Cb 0.78 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.17 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 -0.16 4.45 0.24 0.52 2.01 -1.26 -5.03 115.64 116.40 1tnp s THR 54 Ca 0.00 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1tnp s THR 54 Cb 0.00 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1tnp s THR 54 CO 0.00 0.15 1.59 0.11 -0.69 0.00 0.00 174.62 175.78 1tnp h LYS 55 N 3.41 0.43 -0.60 4.92 1.57 -2.01 -2.90 116.57 121.38 1tnp h LYS 55 Ca -0.47 -0.24 0.04 0.00 -1.87 0.00 0.00 60.65 58.11 1tnp h LYS 55 Cb 1.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1tnp h LYS 55 CO 0.64 0.81 0.40 0.93 -0.57 0.00 0.00 179.45 181.66 1tnp h GLU 56 N 0.34 0.66 -0.11 3.15 4.39 -2.01 -2.29 114.58 118.70 1tnp h GLU 56 Ca 0.02 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1tnp h GLU 56 Cb 0.96 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1tnp h GLU 56 CO 0.08 0.44 -0.36 0.93 -1.16 0.00 0.00 179.01 178.93 1tnp h GLU 57 N 0.68 0.23 -0.30 2.33 4.39 -1.93 -2.20 114.58 117.79 1tnp h GLU 57 Ca 0.25 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1tnp h GLU 57 Cb 0.13 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1tnp h GLU 57 CO -0.07 0.57 0.02 1.25 -1.16 0.00 0.00 179.01 179.62 1tnp h LEU 58 N 0.20 0.41 -0.38 1.33 6.46 -1.45 -2.62 115.31 119.26 1tnp h LEU 58 Ca 0.02 -0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.63 1tnp h LEU 58 Cb 0.74 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1tnp h LEU 58 CO 0.06 0.46 -0.13 0.44 -0.62 0.00 0.00 178.44 178.64 1tnp h ASP 59 N 0.43 0.77 -0.73 1.25 3.32 -1.39 -2.91 116.42 117.16 1tnp h ASP 59 Ca 0.10 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1tnp h ASP 59 Cb 0.25 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1tnp h ASP 59 CO 0.00 0.98 0.41 0.00 -1.72 0.00 0.00 179.24 178.92 1tnp h ALA 60 N 0.82 1.33 -0.95 3.45 0.00 -1.37 -2.11 119.26 120.43 1tnp h ALA 60 Ca 0.09 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.11 1tnp h ALA 60 Cb 0.66 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1tnp h ALA 60 CO 0.04 0.56 0.62 0.82 0.00 0.00 0.00 179.25 181.29 1tnp h ILE 61 N 1.04 0.65 -0.00 0.00 1.08 -1.27 0.51 117.51 119.51 1tnp h ILE 61 Ca 0.26 -0.15 -0.23 0.00 -0.39 0.00 0.00 64.86 64.36 1tnp h ILE 61 Cb 0.01 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1tnp h ILE 61 CO -0.04 0.08 -0.94 0.40 -0.69 0.00 0.00 178.15 176.96 1tnp h ILE 62 N 0.44 1.39 -0.02 -0.67 5.03 -1.42 -2.77 117.51 119.50 1tnp h ILE 62 Ca 0.51 -2.42 0.01 0.00 -0.12 0.00 0.00 64.86 62.83 1tnp h ILE 62 Cb 1.21 2.40 -0.00 0.00 -3.03 0.00 0.00 36.82 37.40 1tnp h ILE 62 CO -0.22 0.72 0.01 -0.08 -0.68 0.00 0.00 178.15 177.91 1tnp h GLU 63 N 0.25 0.00 0.00 2.37 4.81 -0.85 -0.86 114.58 120.29 1tnp h GLU 63 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1tnp h GLU 63 Cb 1.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1tnp h GLU 63 CO 0.16 0.00 -0.01 1.49 -0.73 0.00 0.00 179.01 179.93 1tnp h GLU 64 N 0.00 0.00 -0.15 1.92 4.57 -1.20 -3.30 114.58 116.42 1tnp h GLU 64 Ca 0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1tnp h GLU 64 Cb 0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1tnp h GLU 64 CO -0.00 0.00 -0.16 -0.24 -1.18 0.00 0.00 179.01 177.43 1tnp h VAL 65 N -0.27 1.34 -1.17 0.32 3.04 -1.59 -3.18 116.25 114.74 1tnp h VAL 65 Ca 0.00 -1.33 -0.53 0.00 -1.01 0.00 0.00 66.70 63.83 1tnp h VAL 65 Cb 0.01 1.87 -0.19 0.00 -2.01 0.00 0.00 31.29 30.97 1tnp h VAL 65 CO 0.00 0.39 0.48 -0.67 -1.01 0.00 0.00 177.57 176.77 1tnp n ASP 66 N -4.53 6.60 0.06 3.17 2.03 -0.33 -4.26 116.55 119.29 1tnp n ASP 66 Ca -0.06 -3.27 -0.23 0.00 0.52 0.00 0.00 54.79 51.75 1tnp n ASP 66 Cb 0.37 -1.22 -0.15 0.00 -0.72 0.00 0.00 41.12 39.41 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1tnp h GLU 67 N 3.02 0.37 -0.07 -0.67 4.81 -1.62 -3.43 114.58 116.98 1tnp h GLU 67 Ca 0.42 -0.64 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 1tnp h GLU 67 Cb 0.64 0.24 -0.19 0.00 0.63 0.00 0.00 28.75 30.06 1tnp h GLU 67 CO 0.94 1.31 -0.42 -0.40 -0.73 0.00 0.00 179.01 179.71 1tnp n ASP 68 N -3.67 -0.92 0.00 1.04 5.75 -1.26 -5.11 116.55 112.38 1tnp n ASP 68 Ca -0.24 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1tnp n ASP 68 Cb 1.04 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 41.60 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 -1.31 5.04 0.28 6.12 0.00 -1.26 -5.20 105.19 108.86 1tnp n GLY 69 Ca -0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.76 -2.78 1.61 2.88 -1.26 -4.90 113.62 109.94 1tnp n SER 70 Ca 0.00 -1.13 -0.37 0.00 -1.33 0.00 0.00 58.87 56.04 1tnp n SER 70 Cb 0.00 -0.01 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 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 4.51 5.65 3.70 0.46 0.00 -1.26 -4.45 105.19 113.80 1tnp n GLY 71 Ca 0.00 -2.53 -0.32 0.00 0.00 0.00 0.00 46.02 43.18 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 -5.14 4.18 -0.22 2.61 -4.23 -1.26 -4.36 115.64 107.22 1tnp s THR 72 Ca 0.52 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1tnp s THR 72 Cb 0.44 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 71.46 1tnp s THR 72 CO -0.34 0.29 0.22 -0.63 -0.54 0.00 0.00 174.62 173.62 1tnp s ILE 73 N -1.18 -0.31 0.81 2.99 -1.09 -1.23 -4.96 121.20 116.23 1tnp s ILE 73 Ca 0.22 -0.21 -0.05 0.00 -2.23 0.00 0.00 60.65 58.38 1tnp s ILE 73 Cb -0.12 -0.74 0.16 0.00 -1.58 0.00 0.00 42.46 40.19 1tnp s ILE 73 CO 0.14 -0.28 1.11 -1.81 -1.23 0.00 0.00 174.94 172.86 1tnp s ASP 74 N 2.31 3.89 0.24 3.58 1.11 -1.26 -2.49 116.67 124.04 1tnp s ASP 74 Ca 0.07 -0.23 0.20 0.00 0.18 0.00 0.00 52.55 52.77 1tnp s ASP 74 Cb -0.16 0.00 0.06 0.00 1.07 0.00 0.00 42.92 43.89 1tnp s ASP 74 CO -0.16 -2.19 1.18 0.15 1.18 0.00 0.00 175.17 175.33 1tnp h PHE 75 N -0.90 0.00 0.56 4.23 3.57 -1.99 -2.59 116.94 119.81 1tnp h PHE 75 Ca -0.38 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1tnp h PHE 75 Cb 1.25 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.00 1tnp h PHE 75 CO -0.55 0.20 -0.27 0.93 -2.23 0.00 0.00 178.31 176.39 1tnp h GLU 76 N 0.00 -0.72 0.00 1.11 5.08 -1.95 -2.43 114.58 115.67 1tnp h GLU 76 Ca -0.04 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1tnp h GLU 76 Cb 1.18 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1tnp h GLU 76 CO 0.02 -0.41 -0.08 1.49 -1.00 0.00 0.00 179.01 179.02 1tnp h GLU 77 N -1.04 0.00 -0.58 2.33 4.81 -1.95 -2.69 114.58 115.46 1tnp h GLU 77 Ca -0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1tnp h GLU 77 Cb 0.64 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1tnp h GLU 77 CO 0.13 0.08 0.31 0.35 -0.73 0.00 0.00 179.01 179.15 1tnp h PHE 78 N 0.00 0.81 -0.10 0.92 3.57 -1.31 -2.10 116.94 118.74 1tnp h PHE 78 Ca -0.00 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1tnp h PHE 78 Cb 0.17 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1tnp h PHE 78 CO 0.00 0.59 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.22 1tnp h LEU 79 N 0.79 0.21 -0.73 0.59 3.38 -1.10 -2.95 115.31 115.50 1tnp h LEU 79 Ca 0.21 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1tnp h LEU 79 Cb 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1tnp h LEU 79 CO -0.03 0.58 -0.22 0.58 0.09 0.00 0.00 178.44 179.44 1tnp h VAL 80 N 0.17 1.27 0.06 1.22 2.07 -1.24 -2.96 116.25 116.85 1tnp h VAL 80 Ca 0.02 -1.32 -0.24 0.00 0.82 0.00 0.00 66.70 65.98 1tnp h VAL 80 Cb 0.76 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1tnp h VAL 80 CO 0.06 0.44 -1.08 0.00 0.02 0.00 0.00 177.57 177.01 1tnp h MET 81 N 0.64 0.25 -0.12 1.57 -0.00 -1.35 -3.20 114.93 112.71 1tnp h MET 81 Ca 0.09 -0.35 -0.02 0.00 -0.00 0.00 0.00 59.70 59.42 1tnp h MET 81 Cb 0.72 0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 32.43 1tnp h MET 81 CO 0.06 1.11 0.00 0.52 -0.00 0.00 0.00 176.91 178.60 1tnp h MET 82 N 0.10 0.21 -0.25 -0.10 2.07 -1.42 -2.76 114.93 112.78 1tnp h MET 82 Ca -0.09 -0.07 0.03 0.00 -2.07 0.00 0.00 59.70 57.50 1tnp h MET 82 Cb 1.78 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 31.46 1tnp h MET 82 CO 0.17 0.45 0.07 0.28 1.07 0.00 0.00 176.91 178.95 1tnp h VAL 83 N -0.06 0.91 -0.46 -2.22 2.07 -1.63 -2.44 116.25 112.42 1tnp h VAL 83 Ca 0.03 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1tnp h VAL 83 Cb 0.36 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 1tnp h VAL 83 CO 0.01 0.03 -0.32 0.03 0.02 0.00 0.00 177.57 177.34 1tnp h ARG 84 N 0.18 -0.21 -0.62 1.57 3.08 -1.53 -1.11 114.38 115.75 1tnp h ARG 84 Ca 0.11 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1tnp h ARG 84 Cb 0.10 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1tnp h ARG 84 CO -0.13 -0.14 0.33 1.96 -1.07 0.00 0.00 179.97 180.93 1tnp h GLN 85 N -0.21 0.85 -0.85 0.04 1.08 -1.19 -2.65 115.11 112.18 1tnp h GLN 85 Ca 0.19 -0.09 0.06 0.00 -1.45 0.00 0.00 58.65 57.36 1tnp h GLN 85 Cb 0.54 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 1tnp h GLN 85 CO -0.58 0.63 0.53 1.98 -0.95 0.00 0.00 178.83 180.43 1tnp h MET 86 N 0.86 0.95 -0.16 1.46 4.05 -0.73 -1.80 114.93 119.56 1tnp h MET 86 Ca 0.22 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1tnp h MET 86 Cb 0.03 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1tnp h MET 86 CO -0.04 0.63 0.01 0.87 0.23 0.00 0.00 176.91 178.61 1tnp h LYS 87 N 0.98 0.27 -1.39 0.39 1.79 -1.29 -3.50 116.57 113.81 1tnp h LYS 87 Ca 0.36 -0.08 0.17 0.00 -2.18 0.00 0.00 60.65 58.92 1tnp h LYS 87 Cb 0.14 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 1tnp h LYS 87 CO -0.16 0.47 -0.25 -1.91 -1.08 0.00 0.00 179.45 176.51 1tnp n GLU 88 N -4.77 -1.27 -0.01 3.15 2.13 -0.68 -4.61 120.64 114.58 1tnp n GLU 88 Ca -0.05 0.86 -0.13 0.00 0.66 0.00 0.00 57.16 58.50 1tnp n GLU 88 Cb 0.20 -1.54 -0.10 0.00 0.27 0.00 0.00 31.44 30.27 1tnp n GLU 88 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1tnp h ASP 89 N -0.58 -0.04 0.00 4.31 1.82 -1.92 -3.50 116.42 116.51 1tnp h ASP 89 Ca 0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1tnp h ASP 89 Cb 0.57 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1tnp h ASP 89 CO 0.01 0.58 0.00 0.00 -1.61 0.00 0.00 179.24 178.22