#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 -2.46 -3.61 0.00 2.88 -1.26 -5.04 113.62 104.13 1tnp n SER 2 Ca 0.00 -3.47 -0.35 0.00 -1.33 0.00 0.00 58.87 53.72 1tnp n SER 2 Cb 0.00 1.85 -0.03 0.00 -0.75 0.00 0.00 64.21 65.28 1tnp n SER 2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1tnp n MET 3 N 0.80 3.82 -0.22 -1.46 1.56 -1.26 -4.81 117.12 115.55 1tnp n MET 3 Ca 0.06 -4.66 0.03 0.00 -0.27 0.00 0.00 57.70 52.86 1tnp n MET 3 Cb 0.68 -2.38 0.11 0.00 2.15 0.00 0.00 33.22 33.78 1tnp n MET 3 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1tnp n THR 4 N 0.74 0.66 -1.58 1.12 -1.04 -1.26 -4.86 114.28 108.06 1tnp n THR 4 Ca 0.31 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1tnp n THR 4 Cb 0.35 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1tnp n THR 4 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1tnp n ASP 5 N 0.17 -1.76 -1.55 8.00 8.00 -1.26 -4.97 116.55 123.18 1tnp n ASP 5 Ca 0.08 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 1tnp n ASP 5 Cb 0.42 -0.44 0.08 0.00 -0.02 0.00 0.00 41.12 41.16 1tnp n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tnp n GLN 6 N -1.07 1.55 0.06 -1.24 10.64 -1.26 -4.06 117.38 122.00 1tnp n GLN 6 Ca 0.00 -1.31 -0.21 0.00 -1.83 0.00 0.00 57.00 53.65 1tnp n GLN 6 Cb 0.44 -1.51 -0.15 0.00 -0.86 0.00 0.00 30.24 28.16 1tnp n GLN 6 CO 0.00 0.00 0.00 -0.56 -1.83 0.00 0.00 177.06 174.67 1tnp h GLN 7 N 0.47 0.33 -0.88 2.61 3.07 -1.97 -3.32 115.11 115.42 1tnp h GLN 7 Ca 0.28 -0.57 -0.05 0.00 0.09 0.00 0.00 58.65 58.39 1tnp h GLN 7 Cb 1.78 0.21 -0.03 0.00 0.08 0.00 0.00 27.48 29.52 1tnp h GLN 7 CO 0.49 1.27 0.07 0.00 0.09 0.00 0.00 178.83 180.75 1tnp n ALA 8 N -2.68 3.21 0.06 0.06 0.00 -1.26 -3.91 120.51 116.00 1tnp n ALA 8 Ca -0.14 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.30 1tnp n ALA 8 Cb 0.86 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 1tnp n ALA 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1tnp h GLU 9 N 1.23 0.24 -0.10 0.00 4.81 -1.83 -3.29 114.58 115.63 1tnp h GLU 9 Ca 0.07 -0.40 -0.13 0.00 -0.13 0.00 0.00 59.36 58.76 1tnp h GLU 9 Cb 1.25 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.78 1tnp h GLU 9 CO 0.25 1.09 -0.44 0.00 -0.73 0.00 0.00 179.01 179.18 1tnp h ALA 10 N 0.50 0.19 -0.51 2.92 0.00 -1.82 -3.19 119.26 117.34 1tnp h ALA 10 Ca -0.25 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1tnp h ALA 10 Cb 2.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1tnp h ALA 10 CO 0.16 0.33 0.14 -0.09 0.00 0.00 0.00 179.25 179.79 1tnp h ARG 11 N 0.05 0.77 -0.36 0.00 1.12 -1.80 -2.39 114.38 111.77 1tnp h ARG 11 Ca -0.03 -0.14 0.07 0.00 -1.11 0.00 0.00 59.98 58.77 1tnp h ARG 11 Cb 1.09 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.90 1tnp h ARG 11 CO 0.09 0.68 0.25 0.00 -3.11 0.00 0.00 179.97 177.88 1tnp h ALA 12 N 1.41 2.09 0.20 2.80 0.00 -1.62 -3.02 119.26 121.12 1tnp h ALA 12 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1tnp h ALA 12 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tnp h ALA 12 CO -0.01 -0.17 -0.10 0.35 0.00 0.00 0.00 179.25 179.33 1tnp h PHE 13 N 0.19 -0.25 -3.53 0.00 3.57 -1.48 -3.47 116.94 111.97 1tnp h PHE 13 Ca 0.16 -0.01 -0.42 0.00 3.53 0.00 0.00 57.97 61.23 1tnp h PHE 13 Cb 0.40 0.08 0.19 0.00 2.79 0.00 0.00 35.95 39.41 1tnp h PHE 13 CO -0.00 -0.16 0.11 -0.48 -2.23 0.00 0.00 178.31 175.55 1tnp s LEU 14 N -8.09 0.75 0.00 0.59 0.05 -1.14 -5.07 118.68 105.76 1tnp s LEU 14 Ca -0.04 0.91 0.02 0.00 0.05 0.00 0.00 54.13 55.06 1tnp s LEU 14 Cb 0.00 -2.75 0.05 0.00 -2.05 0.00 0.00 46.19 41.45 1tnp s LEU 14 CO 0.12 -4.00 0.39 -1.20 -0.55 0.00 0.00 176.35 171.12 1tnp n SER 15 N -4.71 0.74 0.07 1.48 7.64 -1.26 -4.92 113.62 112.65 1tnp n SER 15 Ca 0.09 -1.57 -0.18 0.00 1.01 0.00 0.00 58.87 58.22 1tnp n SER 15 Cb 0.58 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.29 0.01 1.43 4.39 -1.98 -3.33 114.58 115.40 1tnp h GLU 16 Ca -0.13 -0.49 -0.22 0.00 0.34 0.00 0.00 59.36 58.86 1tnp h GLU 16 Cb 0.54 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1tnp h GLU 16 CO 0.16 1.16 -0.94 0.93 -1.16 0.00 0.00 179.01 179.16 1tnp h GLU 17 N 0.08 0.28 -0.38 2.33 5.08 -2.02 -3.19 114.58 116.76 1tnp h GLU 17 Ca -0.27 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 1tnp h GLU 17 Cb 2.04 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.37 1tnp h GLU 17 CO 0.17 1.04 0.00 1.98 -1.00 0.00 0.00 179.01 181.20 1tnp h MET 18 N 0.15 0.60 -0.59 2.33 4.05 -1.98 -2.41 114.93 117.07 1tnp h MET 18 Ca -0.07 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1tnp h MET 18 Cb 1.58 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.27 1tnp h MET 18 CO 0.15 0.62 0.38 0.82 0.23 0.00 0.00 176.91 179.12 1tnp h ILE 19 N 0.57 1.12 -0.54 1.77 1.08 -1.65 -2.00 117.51 117.86 1tnp h ILE 19 Ca 0.12 -0.26 0.10 0.00 -0.39 0.00 0.00 64.86 64.43 1tnp h ILE 19 Cb 0.36 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 1tnp h ILE 19 CO 0.01 0.14 0.37 0.00 -0.69 0.00 0.00 178.15 177.98 1tnp h ALA 20 N 1.23 2.10 -0.15 1.87 0.00 -1.52 -1.61 119.26 121.18 1tnp h ALA 20 Ca 0.23 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1tnp h ALA 20 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1tnp h ALA 20 CO -0.07 -0.22 -0.70 0.93 0.00 0.00 0.00 179.25 179.19 1tnp h GLU 21 N 0.31 0.65 -0.36 0.00 5.08 -1.40 -3.01 114.58 115.85 1tnp h GLU 21 Ca 0.25 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1tnp h GLU 21 Cb 0.58 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1tnp h GLU 21 CO -0.06 1.11 0.06 0.74 -1.00 0.00 0.00 179.01 179.87 1tnp h PHE 22 N 0.46 0.55 -0.39 4.33 0.04 -1.21 -2.82 116.94 117.90 1tnp h PHE 22 Ca -0.03 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.74 1tnp h PHE 22 Cb 1.30 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 1tnp h PHE 22 CO 0.07 0.50 0.16 0.87 -0.60 0.00 0.00 178.31 179.31 1tnp h LYS 23 N 0.53 0.33 -0.65 1.51 1.57 -1.36 -2.67 116.57 115.82 1tnp h LYS 23 Ca 0.12 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1tnp h LYS 23 Cb 0.25 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 1tnp h LYS 23 CO 0.00 0.22 0.18 0.00 -0.57 0.00 0.00 179.45 179.28 1tnp h ALA 24 N 1.23 0.82 -0.09 3.86 0.00 -1.55 -1.69 119.26 121.84 1tnp h ALA 24 Ca 0.17 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1tnp h ALA 24 Cb 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1tnp h ALA 24 CO -0.15 -0.28 -0.65 0.00 0.00 0.00 0.00 179.25 178.17 1tnp h ALA 25 N 1.51 0.72 -0.26 0.00 0.00 -1.60 -3.08 119.26 116.54 1tnp h ALA 25 Ca 0.35 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1tnp h ALA 25 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1tnp h ALA 25 CO -0.41 0.74 0.03 0.35 0.00 0.00 0.00 179.25 179.95 1tnp h PHE 26 N 0.26 0.38 0.00 0.00 3.57 -0.99 -2.69 116.94 117.47 1tnp h PHE 26 Ca -0.01 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1tnp h PHE 26 Cb 1.19 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1tnp h PHE 26 CO 0.03 0.37 -0.59 0.22 -2.23 0.00 0.00 178.31 176.11 1tnp h ASP 27 N 0.37 0.00 -1.13 0.41 1.82 -1.38 -3.09 116.42 113.43 1tnp h ASP 27 Ca 0.09 0.00 0.31 0.00 -0.39 0.00 0.00 57.03 57.04 1tnp h ASP 27 Cb 0.21 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.14 1tnp h ASP 27 CO 0.00 0.59 0.76 0.24 -1.61 0.00 0.00 179.24 179.22 1tnp h MET 28 N 0.00 0.22 0.04 0.28 2.86 -1.54 -0.58 114.93 116.20 1tnp h MET 28 Ca -0.01 -0.01 -0.38 0.00 -2.06 0.00 0.00 59.70 57.24 1tnp h MET 28 Cb 1.07 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.63 1tnp h MET 28 CO 0.08 0.14 -2.21 1.19 1.06 0.00 0.00 176.91 177.18 1tnp n PHE 29 N -4.48 0.50 -3.08 -0.22 3.01 -1.22 -4.76 117.46 107.20 1tnp n PHE 29 Ca 0.27 0.13 -0.45 0.00 1.01 0.00 0.00 57.45 58.41 1tnp n PHE 29 Cb 1.07 -1.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.45 1tnp n PHE 29 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1tnp s ASP 30 N -6.89 6.39 0.23 4.37 2.15 -0.23 -4.90 116.67 117.79 1tnp s ASP 30 Ca -0.31 -1.76 0.06 0.00 0.43 0.00 0.00 52.55 50.97 1tnp s ASP 30 Cb 0.09 -2.32 0.21 0.00 -0.30 0.00 0.00 42.92 40.60 1tnp s ASP 30 CO 0.63 -1.04 1.52 0.00 -0.17 0.00 0.00 175.17 176.12 1tnp h ALA 31 N 8.89 0.80 -0.10 3.66 0.00 -1.85 -3.29 119.26 127.37 1tnp h ALA 31 Ca -0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1tnp h ALA 31 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1tnp h ALA 31 CO 1.05 0.82 -0.27 0.22 0.00 0.00 0.00 179.25 181.07 1tnp h ASP 32 N 0.08 0.40 -0.08 0.00 1.82 -1.90 -3.49 116.42 113.27 1tnp h ASP 32 Ca -0.01 -0.60 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1tnp h ASP 32 Cb 1.23 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1tnp h ASP 32 CO 0.10 0.93 0.00 0.61 -1.61 0.00 0.00 179.24 179.27 1tnp n GLY 33 N 0.54 0.95 0.00 -0.78 0.00 -1.24 -5.08 105.19 99.58 1tnp n GLY 33 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 -0.19 0.00 -0.02 0.00 -1.26 -5.04 105.19 98.64 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 2.07 0.00 3.52 -0.02 0.00 -1.26 -5.11 105.19 104.39 1tnp n GLY 35 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.64 0.14 1.61 1.01 -1.26 -4.21 116.67 113.31 1tnp s ASP 36 Ca 0.00 0.88 0.02 0.00 0.71 0.00 0.00 52.55 54.17 1tnp s ASP 36 Cb 0.00 0.79 -0.01 0.00 1.01 0.00 0.00 42.92 44.72 1tnp s ASP 36 CO 0.00 -0.48 0.14 2.30 0.21 0.00 0.00 175.17 177.34 1tnp n ILE 37 N 1.51 0.00 -3.05 0.77 -6.64 -1.16 -4.64 119.36 106.15 1tnp n ILE 37 Ca -0.18 -0.95 -0.38 0.00 -1.77 0.00 0.00 62.75 59.47 1tnp n ILE 37 Cb 0.56 0.50 -0.06 0.00 -1.44 0.00 0.00 39.64 39.20 1tnp n ILE 37 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1tnp s SER 38 N -1.96 7.24 0.20 7.28 0.15 -1.26 -3.83 113.70 121.52 1tnp s SER 38 Ca 0.16 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.40 1tnp s SER 38 Cb 0.01 -2.46 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 1tnp s SER 38 CO 0.11 0.15 1.46 0.00 1.20 0.00 0.00 173.24 176.16 1tnp h THR 39 N 3.13 1.52 -0.59 6.45 1.03 -1.95 -2.82 112.91 119.69 1tnp h THR 39 Ca -0.48 -2.56 0.11 0.00 -0.01 0.00 0.00 66.41 63.48 1tnp h THR 39 Cb 1.20 2.39 -0.08 0.00 -1.07 0.00 0.00 68.15 70.59 1tnp h THR 39 CO 0.65 0.74 0.12 0.50 -0.01 0.00 0.00 175.52 177.52 1tnp h LYS 40 N 0.05 0.24 0.00 0.00 3.64 -1.96 -2.80 116.57 115.74 1tnp h LYS 40 Ca -0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1tnp h LYS 40 Cb 1.37 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1tnp h LYS 40 CO 0.11 0.16 -1.92 -1.91 -2.27 0.00 0.00 179.45 173.62 1tnp n GLU 41 N -5.13 0.66 -0.55 1.90 2.13 -1.25 -4.44 120.64 113.96 1tnp n GLU 41 Ca 0.08 -0.15 0.46 0.00 0.66 0.00 0.00 57.16 58.21 1tnp n GLU 41 Cb 0.31 -1.55 0.79 0.00 0.27 0.00 0.00 31.44 31.26 1tnp n GLU 41 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1tnp h LEU 42 N 0.00 0.00 -0.00 4.31 6.46 -1.22 0.48 115.31 125.34 1tnp h LEU 42 Ca -0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1tnp h LEU 42 Cb 1.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1tnp h LEU 42 CO 0.00 0.00 -0.01 1.23 -0.62 0.00 0.00 178.44 179.04 1tnp h GLY 43 N 0.00 0.01 0.61 3.75 0.00 -1.78 -2.63 103.07 103.03 1tnp h GLY 43 Ca 0.78 -0.01 0.17 0.00 0.00 0.00 0.00 47.33 48.26 1tnp h GLY 43 CO -0.01 0.01 0.53 -0.84 0.00 0.00 0.00 176.54 176.24 1tnp h THR 44 N -0.70 0.42 0.11 4.70 2.02 -0.33 0.21 112.91 119.34 1tnp h THR 44 Ca -0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 1tnp h THR 44 Cb 0.72 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1tnp h THR 44 CO 0.00 0.00 -1.54 1.62 0.37 0.00 0.00 175.52 175.97 1tnp h VAL 45 N 0.00 1.13 0.00 3.16 3.04 -1.46 -1.22 116.25 120.90 1tnp h VAL 45 Ca 0.27 -2.79 -0.02 0.00 -1.01 0.00 0.00 66.70 63.15 1tnp h VAL 45 Cb 1.33 2.73 -0.00 0.00 -2.01 0.00 0.00 31.29 33.34 1tnp h VAL 45 CO -0.00 0.80 -0.10 0.24 -1.01 0.00 0.00 177.57 177.50 1tnp h MET 46 N 0.06 0.00 0.00 4.17 2.86 -0.25 -3.27 114.93 118.50 1tnp h MET 46 Ca -0.25 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1tnp h MET 46 Cb 2.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.65 1tnp h MET 46 CO 0.15 0.10 -1.50 0.54 1.06 0.00 0.00 176.91 177.26 1tnp n ARG 47 N -3.32 2.22 0.26 1.72 3.00 -0.56 -4.14 116.66 115.84 1tnp n ARG 47 Ca -0.01 -0.02 0.14 0.00 -0.01 0.00 0.00 57.85 57.96 1tnp n ARG 47 Cb 0.30 -1.20 0.77 0.00 0.00 0.00 0.00 32.46 32.33 1tnp n ARG 47 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1tnp h MET 48 N 0.00 0.00 0.00 5.56 1.85 -1.27 0.44 114.93 121.51 1tnp h MET 48 Ca -0.17 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.64 1tnp h MET 48 Cb 1.25 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.23 1tnp h MET 48 CO 0.01 0.00 -2.08 1.47 -0.40 0.00 0.00 176.91 175.91 1tnp n LEU 49 N -2.62 1.50 0.00 3.39 -0.00 -1.26 -4.85 117.00 113.16 1tnp n LEU 49 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1tnp n LEU 49 Cb 0.22 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1tnp n LEU 49 CO 0.12 0.60 0.13 0.61 -0.00 0.00 0.00 177.39 178.86 1tnp n GLY 50 N 2.31 -0.63 0.00 1.47 0.00 0.14 -5.06 105.19 103.42 1tnp n GLY 50 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1tnp n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tnp n GLN 51 N -0.58 0.00 -3.73 1.61 6.02 -0.32 -5.07 117.38 115.30 1tnp n GLN 51 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1tnp n GLN 51 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1tnp n GLN 51 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1tnp s ASN 52 N 1.01 3.68 0.00 1.08 3.84 -1.26 -4.37 114.94 118.93 1tnp s ASN 52 Ca 0.00 -3.51 0.00 0.00 0.21 0.00 0.00 52.86 49.56 1tnp s ASN 52 Cb 0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 41.25 39.48 1tnp s ASN 52 CO 0.00 -0.13 0.00 -0.81 -2.79 0.00 0.00 177.10 173.37 1tnp n PRO 53 N 2.37 2.01 -4.57 0.43 -0.04 -1.26 -5.13 135.00 128.81 1tnp n PRO 53 Ca 0.22 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.41 1tnp n PRO 53 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.40 2.14 0.12 0.52 -4.23 -1.26 -5.07 115.64 108.27 1tnp s THR 54 Ca 0.00 -2.12 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 1tnp s THR 54 Cb 0.00 -2.80 -0.19 0.00 1.34 0.00 0.00 72.50 70.85 1tnp s THR 54 CO 0.00 -0.12 1.29 0.11 -0.54 0.00 0.00 174.62 175.36 1tnp h LYS 55 N 1.91 0.42 -0.36 3.99 1.57 -2.01 -3.22 116.57 118.87 1tnp h LYS 55 Ca -0.43 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 57.84 1tnp h LYS 55 Cb 1.25 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1tnp h LYS 55 CO 0.75 1.13 0.02 0.93 -0.57 0.00 0.00 179.45 181.70 1tnp h GLU 56 N 0.23 0.56 -0.39 3.15 4.39 -2.01 -2.67 114.58 117.85 1tnp h GLU 56 Ca -0.09 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 1tnp h GLU 56 Cb 1.61 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 1tnp h GLU 56 CO 0.17 0.58 -0.11 0.93 -1.16 0.00 0.00 179.01 179.42 1tnp h GLU 57 N 0.54 0.68 -0.26 2.33 5.08 -1.99 -1.94 114.58 119.02 1tnp h GLU 57 Ca 0.12 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1tnp h GLU 57 Cb 0.32 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1tnp h GLU 57 CO 0.01 0.77 0.01 1.25 -1.00 0.00 0.00 179.01 180.05 1tnp h LEU 58 N 0.62 0.35 -1.01 1.33 7.12 -1.56 -1.47 115.31 120.69 1tnp h LEU 58 Ca 0.11 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1tnp h LEU 58 Cb 0.55 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.54 1tnp h LEU 58 CO 0.03 0.41 0.54 0.44 -0.13 0.00 0.00 178.44 179.73 1tnp h ASP 59 N 0.37 1.08 0.89 1.25 3.32 -1.33 -2.43 116.42 119.58 1tnp h ASP 59 Ca 0.09 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1tnp h ASP 59 Cb 0.24 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.53 1tnp h ASP 59 CO 0.00 0.83 -0.43 0.00 -1.72 0.00 0.00 179.24 177.92 1tnp h ALA 60 N 1.35 -1.22 -1.03 3.45 0.00 -1.17 -2.78 119.26 117.86 1tnp h ALA 60 Ca 0.32 -0.26 0.26 0.00 0.00 0.00 0.00 54.91 55.23 1tnp h ALA 60 Cb -0.05 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1tnp h ALA 60 CO -0.06 -1.13 0.64 0.82 0.00 0.00 0.00 179.25 179.52 1tnp h ILE 61 N -1.30 0.53 -0.07 0.00 2.04 -1.50 -0.45 117.51 116.77 1tnp h ILE 61 Ca -0.12 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1tnp h ILE 61 Cb 0.92 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1tnp h ILE 61 CO 0.20 0.09 -0.17 -0.29 0.00 0.00 0.00 178.15 177.98 1tnp h ILE 62 N 0.47 0.57 -1.01 -0.67 -0.00 -1.16 -1.57 117.51 114.14 1tnp h ILE 62 Ca 0.62 0.00 0.24 0.00 -0.00 0.00 0.00 64.86 65.71 1tnp h ILE 62 Cb 1.41 0.57 -0.10 0.00 -0.00 0.00 0.00 36.82 38.69 1tnp h ILE 62 CO -0.36 0.00 0.63 -0.08 -0.00 0.00 0.00 178.15 178.33 1tnp h GLU 63 N -0.24 0.52 -0.19 2.19 4.57 -0.93 -0.59 114.58 119.90 1tnp h GLU 63 Ca 0.08 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 1tnp h GLU 63 Cb 0.35 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1tnp h GLU 63 CO -0.21 0.34 -0.43 1.49 -1.18 0.00 0.00 179.01 179.02 1tnp h GLU 64 N 0.54 0.62 -0.80 1.92 4.22 -1.33 -3.20 114.58 116.56 1tnp h GLU 64 Ca 0.60 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1tnp h GLU 64 Cb 1.26 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 1tnp h GLU 64 CO -0.36 1.04 0.51 0.28 -2.18 0.00 0.00 179.01 178.30 1tnp h VAL 65 N 0.30 1.21 -1.21 0.32 2.07 -0.76 -2.69 116.25 115.49 1tnp h VAL 65 Ca 0.00 -0.41 -0.58 0.00 0.82 0.00 0.00 66.70 66.54 1tnp h VAL 65 Cb 1.04 0.05 -0.22 0.00 -1.52 0.00 0.00 31.29 30.64 1tnp h VAL 65 CO 0.09 0.21 0.68 -0.67 0.02 0.00 0.00 177.57 177.90 1tnp n ASP 66 N -4.40 7.00 -0.06 0.57 2.03 -1.02 -4.41 116.55 116.26 1tnp n ASP 66 Ca 0.09 -3.47 -0.02 0.00 0.52 0.00 0.00 54.79 51.91 1tnp n ASP 66 Cb 0.04 -1.11 -0.01 0.00 -0.72 0.00 0.00 41.12 39.32 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1tnp h GLU 67 N 2.54 0.00 -1.25 -0.67 4.39 -1.60 -3.48 114.58 114.51 1tnp h GLU 67 Ca 0.46 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.18 1tnp h GLU 67 Cb 0.57 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.99 1tnp h GLU 67 CO 1.15 0.00 -0.35 0.34 -1.16 0.00 0.00 179.01 178.99 1tnp s ASP 68 N -5.57 -0.94 0.00 1.42 2.15 -1.26 -5.16 116.67 107.31 1tnp s ASP 68 Ca -0.07 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.48 1tnp s ASP 68 Cb 0.01 1.85 0.00 0.00 -0.30 0.00 0.00 42.92 44.48 1tnp s ASP 68 CO 0.11 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 1tnp n GLY 69 N 5.41 -1.38 2.89 2.66 0.00 -1.26 -5.15 105.19 108.35 1tnp n GLY 69 Ca -0.01 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 2.90 -1.28 -2.14 1.61 3.41 -1.26 -4.96 113.62 111.90 1tnp n SER 70 Ca 0.00 -1.14 -0.24 0.00 -0.26 0.00 0.00 58.87 57.23 1tnp n SER 70 Cb 0.00 -0.81 0.14 0.00 -0.26 0.00 0.00 64.21 63.29 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 -2.90 4.53 3.61 5.00 0.00 -1.26 -4.93 105.19 109.24 1tnp n GLY 71 Ca 0.12 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.27 0.01 0.03 2.61 -4.23 -1.26 -4.71 115.64 104.82 1tnp s THR 72 Ca 0.53 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1tnp s THR 72 Cb 0.44 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 1tnp s THR 72 CO 0.08 -0.06 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.54 1tnp s ILE 73 N -3.89 0.26 0.00 2.99 2.07 -1.25 -5.01 121.20 116.37 1tnp s ILE 73 Ca 0.11 -1.15 0.00 0.00 -1.41 0.00 0.00 60.65 58.20 1tnp s ILE 73 Cb -0.02 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.95 1tnp s ILE 73 CO 0.00 -0.57 0.00 0.47 -1.91 0.00 0.00 174.94 172.93 1tnp n ASP 74 N 1.24 0.61 0.06 4.50 9.92 -1.26 -2.98 116.55 128.63 1tnp n ASP 74 Ca -0.21 -0.60 -0.16 0.00 -0.53 0.00 0.00 54.79 53.28 1tnp n ASP 74 Cb 0.56 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.90 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1tnp h PHE 75 N 0.18 0.42 -0.09 1.24 3.04 -1.99 -2.89 116.94 116.85 1tnp h PHE 75 Ca 0.00 -0.31 -0.02 0.00 3.98 0.00 0.00 57.97 61.63 1tnp h PHE 75 Cb 0.00 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1tnp h PHE 75 CO 0.00 1.36 -0.00 0.93 -2.02 0.00 0.00 178.31 178.58 1tnp h GLU 76 N 0.06 0.16 -0.12 1.11 4.39 -1.97 -1.95 114.58 116.27 1tnp h GLU 76 Ca -0.24 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.35 1tnp h GLU 76 Cb 2.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1tnp h GLU 76 CO 0.16 0.43 -0.18 0.93 -1.16 0.00 0.00 179.01 179.18 1tnp h GLU 77 N -0.12 0.20 -0.32 2.33 5.08 -1.95 -3.00 114.58 116.80 1tnp h GLU 77 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1tnp h GLU 77 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1tnp h GLU 77 CO 0.01 0.38 -0.04 0.35 -1.00 0.00 0.00 179.01 178.71 1tnp h PHE 78 N 0.19 0.53 -0.02 4.33 3.04 -1.17 -1.72 116.94 122.11 1tnp h PHE 78 Ca 0.04 -0.06 -0.20 0.00 3.98 0.00 0.00 57.97 61.72 1tnp h PHE 78 Cb 0.44 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 1tnp h PHE 78 CO 0.01 0.55 -0.85 -0.07 -2.02 0.00 0.00 178.31 175.92 1tnp h LEU 79 N 0.48 0.42 -1.18 0.59 3.38 -1.25 -3.10 115.31 114.65 1tnp h LEU 79 Ca 0.10 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1tnp h LEU 79 Cb 0.38 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1tnp h LEU 79 CO 0.02 1.09 0.12 0.58 0.09 0.00 0.00 178.44 180.34 1tnp h VAL 80 N 0.20 1.20 0.05 1.22 2.07 -1.21 -2.71 116.25 117.06 1tnp h VAL 80 Ca -0.05 -0.71 -0.27 0.00 0.82 0.00 0.00 66.70 66.49 1tnp h VAL 80 Cb 1.46 0.72 0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1tnp h VAL 80 CO 0.14 0.26 -1.11 0.24 0.02 0.00 0.00 177.57 177.12 1tnp h MET 81 N 0.68 0.63 0.94 1.57 2.86 -1.46 -3.22 114.93 116.93 1tnp h MET 81 Ca 0.15 -0.74 -0.05 0.00 -2.06 0.00 0.00 59.70 57.01 1tnp h MET 81 Cb 0.24 0.22 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1tnp h MET 81 CO -0.00 1.32 -0.46 0.52 1.06 0.00 0.00 176.91 179.35 1tnp h MET 82 N 0.32 -1.22 -0.93 1.72 2.07 -1.41 -2.45 114.93 113.03 1tnp h MET 82 Ca -0.14 0.08 0.21 0.00 -2.07 0.00 0.00 59.70 57.78 1tnp h MET 82 Cb 1.77 0.28 -0.12 0.00 -1.87 0.00 0.00 31.60 31.66 1tnp h MET 82 CO 0.21 -0.81 0.49 0.28 1.07 0.00 0.00 176.91 178.15 1tnp h VAL 83 N -1.26 0.55 -0.04 -2.22 2.07 -1.65 -1.43 116.25 112.26 1tnp h VAL 83 Ca -0.13 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1tnp h VAL 83 Cb 0.97 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1tnp h VAL 83 CO 0.21 0.10 -0.49 -0.09 0.02 0.00 0.00 177.57 177.32 1tnp h ARG 84 N 0.53 -0.59 0.20 1.57 2.43 -1.45 -2.64 114.38 114.43 1tnp h ARG 84 Ca 0.58 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.80 1tnp h ARG 84 Cb 1.04 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1tnp h ARG 84 CO -0.47 -0.39 -0.31 0.37 -1.51 0.00 0.00 179.97 177.65 1tnp h GLN 85 N -0.61 -0.56 -1.02 0.20 -0.00 -0.97 -2.38 115.11 109.76 1tnp h GLN 85 Ca 0.04 0.04 0.25 0.00 -0.00 0.00 0.00 58.65 58.98 1tnp h GLN 85 Cb 0.69 0.13 -0.11 0.00 0.00 0.00 0.00 27.48 28.18 1tnp h GLN 85 CO -0.37 -0.38 0.62 1.98 0.00 0.00 0.00 178.83 180.69 1tnp h MET 86 N -0.59 0.51 0.53 1.69 4.05 -1.33 0.12 114.93 119.90 1tnp h MET 86 Ca 0.01 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1tnp h MET 86 Cb 0.58 -0.11 0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1tnp h MET 86 CO -0.13 0.33 -0.25 0.87 0.23 0.00 0.00 176.91 177.96 1tnp h LYS 87 N 0.52 -0.68 0.00 0.39 1.79 -1.07 -3.47 116.57 114.05 1tnp h LYS 87 Ca 0.63 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.14 1tnp h LYS 87 Cb 1.32 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.13 1tnp h LYS 87 CO -0.41 -0.40 0.00 -1.91 -1.08 0.00 0.00 179.45 175.65 1tnp n GLU 88 N -5.34 0.00 -3.91 3.15 0.00 0.03 -4.91 120.64 109.66 1tnp n GLU 88 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.95 1tnp n GLU 88 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.67 1tnp n GLU 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1tnp s ASP 89 N 0.00 0.17 0.00 4.31 2.15 -1.26 -5.04 116.67 116.99 1tnp s ASP 89 Ca 0.00 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1tnp s ASP 89 Cb 0.00 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.90 1tnp s ASP 89 CO 0.00 -0.61 0.00 0.00 -0.17 0.00 0.00 175.17 174.39