#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn n ASP 3 N 0.00 -4.30 -0.05 0.00 9.92 -1.26 -4.92 116.55 115.94 2ctn n ASP 3 Ca 0.00 0.16 -0.20 0.00 -0.53 0.00 0.00 54.79 54.22 2ctn n ASP 3 Cb 0.00 -0.84 -0.13 0.00 -0.64 0.00 0.00 41.12 39.51 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ctn n ILE 4 N -3.09 1.66 0.15 0.53 5.41 -1.26 -4.31 119.36 118.46 2ctn n ILE 4 Ca 0.00 -0.60 0.09 0.00 1.00 0.00 0.00 62.75 63.24 2ctn n ILE 4 Cb 0.59 -1.63 0.06 0.00 -0.71 0.00 0.00 39.64 37.95 2ctn n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2ctn h TYR 5 N -0.02 0.00 -0.35 1.39 0.05 -1.96 -3.34 116.97 112.74 2ctn h TYR 5 Ca -0.49 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.34 2ctn h TYR 5 Cb 1.95 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.64 2ctn h TYR 5 CO 0.06 0.15 0.08 -0.22 -1.05 0.00 0.00 178.16 177.18 2ctn h LYS 6 N 0.00 0.20 -0.89 4.88 3.11 -1.95 -1.18 116.57 120.75 2ctn h LYS 6 Ca -0.02 -0.01 0.20 0.00 -2.81 0.00 0.00 60.65 58.01 2ctn h LYS 6 Cb 1.13 -0.04 -0.12 0.00 -1.00 0.00 0.00 32.23 32.20 2ctn h LYS 6 CO 0.02 0.13 0.40 0.00 -2.81 0.00 0.00 179.45 177.19 2ctn h ALA 7 N 1.26 1.40 0.40 5.00 0.00 -1.76 0.24 119.26 125.80 2ctn h ALA 7 Ca 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2ctn h ALA 7 Cb 0.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ctn h ALA 7 CO -0.21 -0.29 -0.19 0.00 0.00 0.00 0.00 179.25 178.55 2ctn h ALA 8 N 1.68 -0.54 -0.94 0.00 0.00 -1.45 -3.07 119.26 114.93 2ctn h ALA 8 Ca 0.54 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.45 2ctn h ALA 8 Cb 0.98 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2ctn h ALA 8 CO -0.49 -0.61 0.60 0.28 0.00 0.00 0.00 179.25 179.03 2ctn h VAL 9 N -0.93 0.72 0.00 0.00 2.07 -0.50 0.60 116.25 118.20 2ctn h VAL 9 Ca -0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2ctn h VAL 9 Cb 0.55 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2ctn h VAL 9 CO 0.09 0.11 0.00 -0.08 0.02 0.00 0.00 177.57 177.71 2ctn h GLU 10 N 0.59 0.00 -0.17 1.57 4.81 -0.47 0.10 114.58 121.02 2ctn h GLU 10 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2ctn h GLU 10 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2ctn h GLU 10 CO -0.25 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.07 2ctn n GLN 11 N -2.47 2.32 -1.32 1.92 6.02 0.21 -4.98 117.38 119.07 2ctn n GLN 11 Ca -0.02 -2.03 -0.35 0.00 -0.01 0.00 0.00 57.00 54.59 2ctn n GLN 11 Cb 0.06 -1.47 0.09 0.00 1.02 0.00 0.00 30.24 29.94 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ctn n LEU 12 N 1.36 3.31 -4.79 1.08 4.77 0.36 -4.94 117.00 118.15 2ctn n LEU 12 Ca 0.16 0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 56.42 2ctn n LEU 12 Cb 0.59 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 2ctn n LEU 12 CO 0.15 -2.12 0.66 0.42 -1.33 0.00 0.00 177.39 175.16 2ctn s THR 13 N -1.86 4.20 0.59 -5.08 -4.23 -1.26 -4.82 115.64 103.18 2ctn s THR 13 Ca 0.72 1.75 0.31 0.00 -1.18 0.00 0.00 61.69 63.29 2ctn s THR 13 Cb -0.34 -3.93 0.45 0.00 1.34 0.00 0.00 72.50 70.02 2ctn s THR 13 CO 0.51 0.07 1.59 1.05 -0.54 0.00 0.00 174.62 177.30 2ctn h GLU 14 N 2.95 0.00 0.00 3.99 4.11 -2.00 2.09 114.58 125.73 2ctn h GLU 14 Ca -0.47 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.87 2ctn h GLU 14 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2ctn h GLU 14 CO 0.64 0.00 -0.43 1.49 0.07 0.00 0.00 179.01 180.79 2ctn h GLU 15 N 0.00 0.00 0.14 1.06 4.57 -2.01 -2.86 114.58 115.48 2ctn h GLU 15 Ca 0.46 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.42 2ctn h GLU 15 Cb 2.38 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.99 2ctn h GLU 15 CO -0.00 0.43 -1.02 1.96 -1.18 0.00 0.00 179.01 179.19 2ctn h GLN 16 N 0.00 0.30 -0.26 1.92 7.50 0.31 -3.29 115.11 121.59 2ctn h GLN 16 Ca -0.00 -0.51 -0.08 0.00 0.50 0.00 0.00 58.65 58.56 2ctn h GLN 16 Cb 1.23 0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.93 2ctn h GLN 16 CO 0.06 1.24 -0.17 0.87 -1.50 0.00 0.00 178.83 179.33 2ctn h LYS 17 N -0.33 0.45 0.66 1.46 1.57 -1.50 -2.49 116.57 116.39 2ctn h LYS 17 Ca -0.19 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2ctn h LYS 17 Cb 1.71 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.97 2ctn h LYS 17 CO 0.13 0.61 -0.42 -0.91 -0.57 0.00 0.00 179.45 178.29 2ctn h ASN 18 N 0.41 -1.08 -0.56 0.86 2.35 -1.61 -1.47 115.58 114.49 2ctn h ASN 18 Ca 0.07 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 2ctn h ASN 18 Cb 0.54 0.32 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 2ctn h ASN 18 CO 0.03 -0.64 0.26 -0.33 -1.65 0.00 0.00 177.43 175.10 2ctn h GLU 19 N -1.02 0.48 0.04 0.81 4.39 -1.62 0.13 114.58 117.78 2ctn h GLU 19 Ca -0.09 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.60 2ctn h GLU 19 Cb 0.82 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 2ctn h GLU 19 CO 0.08 0.32 -0.40 0.74 -1.16 0.00 0.00 179.01 178.59 2ctn h PHE 20 N 0.49 -1.16 -0.71 4.33 0.04 -1.26 1.97 116.94 120.64 2ctn h PHE 20 Ca 0.26 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.04 2ctn h PHE 20 Cb 0.22 0.50 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 2ctn h PHE 20 CO -0.12 -0.44 0.34 0.87 -0.60 0.00 0.00 178.31 178.37 2ctn h LYS 21 N -0.53 1.01 0.19 1.51 1.57 -1.08 -2.27 116.57 116.97 2ctn h LYS 21 Ca 0.00 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2ctn h LYS 21 Cb 0.55 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2ctn h LYS 21 CO -0.24 0.78 -0.09 0.00 -0.57 0.00 0.00 179.45 179.32 2ctn h ALA 22 N 1.37 -0.26 -0.28 3.86 0.00 -0.06 -3.02 119.26 120.87 2ctn h ALA 22 Ca 0.25 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2ctn h ALA 22 Cb 0.10 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2ctn h ALA 22 CO -0.03 -0.39 -0.36 0.00 0.00 0.00 0.00 179.25 178.47 2ctn h ALA 23 N -0.16 -0.35 -0.82 0.00 0.00 0.32 0.03 119.26 118.27 2ctn h ALA 23 Ca -0.03 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.14 2ctn h ALA 23 Cb 0.51 0.72 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2ctn h ALA 23 CO 0.04 -0.80 0.20 0.35 0.00 0.00 0.00 179.25 179.04 2ctn h PHE 24 N -0.35 0.29 0.00 0.00 3.04 -1.48 1.16 116.94 119.60 2ctn h PHE 24 Ca 0.13 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 2ctn h PHE 24 Cb 0.56 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.07 2ctn h PHE 24 CO -0.51 -0.17 -0.12 -0.44 -2.02 0.00 0.00 178.31 175.06 2ctn h ASP 25 N 0.23 0.00 -0.06 0.41 3.32 -0.91 0.35 116.42 119.76 2ctn h ASP 25 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 2ctn h ASP 25 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2ctn h ASP 25 CO -0.61 0.12 0.00 -0.38 -1.72 0.00 0.00 179.24 176.65 2ctn n ILE 26 N -3.40 0.04 0.00 0.35 5.41 0.36 -4.09 119.36 118.03 2ctn n ILE 26 Ca -0.01 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2ctn n ILE 26 Cb 0.29 1.30 0.00 0.00 -0.71 0.00 0.00 39.64 40.52 2ctn n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2ctn n PHE 27 N 1.17 0.00 0.63 1.39 3.72 0.10 -4.64 117.46 119.85 2ctn n PHE 27 Ca 0.15 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 2ctn n PHE 27 Cb 0.56 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.45 2ctn n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ctn n VAL 28 N -1.71 0.50 -0.18 -4.37 0.31 0.12 -3.66 118.33 109.34 2ctn n VAL 28 Ca 0.00 -0.27 0.29 0.00 -0.01 0.00 0.00 64.34 64.36 2ctn n VAL 28 Cb 0.28 -0.45 0.72 0.00 -0.91 0.00 0.00 33.84 33.48 2ctn n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ctn h LEU 29 N 0.00 0.00 -0.68 7.52 4.07 -1.77 0.67 115.31 125.13 2ctn h LEU 29 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ctn h LEU 29 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2ctn h LEU 29 CO 0.00 0.00 -0.45 0.61 -1.08 0.00 0.00 178.44 177.52 2ctn n GLY 30 N -1.70 -0.15 0.00 0.83 0.00 -1.24 -4.97 105.19 97.96 2ctn n GLY 30 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2ctn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctn n ALA 31 N -0.42 0.00 0.00 4.61 0.00 0.23 -5.02 120.51 119.91 2ctn n ALA 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2ctn n ALA 31 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2ctn n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ctn n GLU 32 N 0.00 0.00 -0.90 0.00 4.07 -1.26 -4.88 120.64 117.67 2ctn n GLU 32 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 2ctn n GLU 32 Cb 0.00 -0.33 0.23 0.00 -0.06 0.00 0.00 31.44 31.28 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2ctn n ASP 33 N -1.41 3.64 -3.39 4.31 2.03 -1.26 -4.91 116.55 115.56 2ctn n ASP 33 Ca 0.00 -3.47 -0.21 0.00 0.52 0.00 0.00 54.79 51.63 2ctn n ASP 33 Cb 0.00 -0.70 0.08 0.00 -0.72 0.00 0.00 41.12 39.78 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ctn n GLY 34 N -0.77 -0.43 3.58 0.27 0.00 -1.26 -4.98 105.19 101.59 2ctn n GLY 34 Ca 0.40 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctn s SER 35 N -3.54 0.69 -0.40 1.61 1.04 -1.26 -4.77 113.70 107.07 2ctn s SER 35 Ca 0.42 -1.40 0.01 0.00 0.48 0.00 0.00 55.95 55.46 2ctn s SER 35 Cb -0.19 0.72 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2ctn s SER 35 CO 0.69 -1.41 0.19 -0.63 0.98 0.00 0.00 173.24 173.06 2ctn s ILE 36 N -2.85 1.25 0.79 -1.02 1.01 0.55 -4.65 121.20 116.28 2ctn s ILE 36 Ca 0.26 -2.21 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 2ctn s ILE 36 Cb -0.02 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.63 2ctn s ILE 36 CO 0.18 -0.83 1.15 -0.94 0.00 0.00 0.00 174.94 174.50 2ctn s SER 37 N 0.74 4.64 0.48 3.58 1.04 -1.26 -2.24 113.70 120.68 2ctn s SER 37 Ca 0.15 0.93 0.36 0.00 0.48 0.00 0.00 55.95 57.87 2ctn s SER 37 Cb -0.22 -1.53 1.52 0.00 0.10 0.00 0.00 66.02 65.89 2ctn s SER 37 CO -0.06 -1.83 1.63 0.00 0.98 0.00 0.00 173.24 173.95 2ctn h THR 38 N -1.00 0.12 -0.04 2.02 1.03 -1.50 2.13 112.91 115.67 2ctn h THR 38 Ca -0.46 -0.02 -0.16 0.00 -0.01 0.00 0.00 66.41 65.75 2ctn h THR 38 Cb 1.31 0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 2ctn h THR 38 CO 0.65 0.01 -0.70 0.50 -0.01 0.00 0.00 175.52 175.96 2ctn h LYS 39 N 0.06 0.20 0.02 0.00 3.11 -1.90 -2.77 116.57 115.29 2ctn h LYS 39 Ca 0.83 -0.16 -0.34 0.00 -2.81 0.00 0.00 60.65 58.16 2ctn h LYS 39 Cb 2.86 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 34.07 2ctn h LYS 39 CO -0.27 0.82 -2.10 0.39 -2.81 0.00 0.00 179.45 175.48 2ctn n GLU 40 N -3.78 0.67 0.00 1.90 -0.58 0.59 -4.05 120.64 115.39 2ctn n GLU 40 Ca -0.03 0.16 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 2ctn n GLU 40 Cb 0.69 -1.65 0.49 0.00 -0.57 0.00 0.00 31.44 30.40 2ctn n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2ctn n LEU 41 N -3.04 0.00 -0.27 -4.62 7.94 0.57 -3.31 117.00 114.26 2ctn n LEU 41 Ca -0.29 0.35 -0.02 0.00 -1.11 0.00 0.00 56.01 54.94 2ctn n LEU 41 Cb 1.08 -0.35 0.10 0.00 0.53 0.00 0.00 43.42 44.78 2ctn n LEU 41 CO 0.41 -0.11 1.17 1.23 -1.11 0.00 0.00 177.39 178.98 2ctn h GLY 42 N 3.42 1.12 2.00 -3.96 0.00 -1.63 -0.65 103.07 103.37 2ctn h GLY 42 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2ctn h GLY 42 CO 0.00 0.29 -0.09 0.50 0.00 0.00 0.00 176.54 177.24 2ctn h LYS 43 N 0.92 0.00 0.00 4.80 1.57 -1.83 -2.98 116.57 119.05 2ctn h LYS 43 Ca 0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 2ctn h LYS 43 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2ctn h LYS 43 CO -0.13 0.09 -0.18 0.28 -0.57 0.00 0.00 179.45 178.94 2ctn h VAL 44 N 0.00 0.34 0.00 0.50 2.07 -1.30 -3.09 116.25 114.76 2ctn h VAL 44 Ca -0.00 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2ctn h VAL 44 Cb 0.82 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2ctn h VAL 44 CO 0.01 0.18 -0.06 0.24 0.02 0.00 0.00 177.57 177.96 2ctn h MET 45 N 0.00 0.00 -0.58 1.57 2.86 -1.19 -2.60 114.93 114.99 2ctn h MET 45 Ca -0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 2ctn h MET 45 Cb 1.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 2ctn h MET 45 CO 0.02 0.46 0.40 -0.09 1.06 0.00 0.00 176.91 178.76 2ctn h ARG 46 N -1.00 0.22 0.00 1.72 2.43 -1.57 -0.29 114.38 115.90 2ctn h ARG 46 Ca -0.01 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 2ctn h ARG 46 Cb 0.48 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2ctn h ARG 46 CO -0.01 0.15 -1.01 0.00 -1.51 0.00 0.00 179.97 177.59 2ctn h MET 47 N 0.23 0.00 0.00 0.20 -0.00 -1.64 -3.26 114.93 110.46 2ctn h MET 47 Ca 0.28 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.89 2ctn h MET 47 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.36 2ctn h MET 47 CO -0.05 0.99 -0.38 -0.07 -0.00 0.00 0.00 176.91 177.40 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -0.69 -3.46 115.31 114.43 2ctn h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ctn h LEU 48 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2ctn h LEU 48 CO 0.13 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.65 2ctn n GLY 49 N 0.83 0.90 3.28 0.83 0.00 -0.54 -5.09 105.19 105.40 2ctn n GLY 49 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2ctn n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctn s GLN 50 N 0.00 1.35 -0.40 1.61 -0.21 -0.41 -5.00 119.66 116.61 2ctn s GLN 50 Ca 0.00 -1.73 0.07 0.00 0.02 0.00 0.00 55.36 53.72 2ctn s GLN 50 Cb 0.00 -0.06 0.32 0.00 1.00 0.00 0.00 33.01 34.27 2ctn s GLN 50 CO 0.00 -0.34 1.25 -1.71 -2.12 0.00 0.00 175.29 172.37 2ctn n ASN 51 N -0.44 -1.87 -2.68 5.90 2.85 -1.26 -3.43 115.26 114.34 2ctn n ASN 51 Ca 0.01 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 51.82 2ctn n ASN 51 Cb 0.66 1.31 0.00 0.00 1.24 0.00 0.00 39.78 42.99 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ctn n PRO 52 N -0.20 -0.20 -4.38 1.20 -0.04 -1.26 -5.08 135.00 125.04 2ctn n PRO 52 Ca -0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.16 2ctn n PRO 52 Cb 0.77 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.14 2ctn n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ctn s THR 53 N -0.69 2.22 -0.11 0.52 -4.23 -1.26 -5.01 115.64 107.07 2ctn s THR 53 Ca 0.00 -1.88 0.30 0.00 -1.18 0.00 0.00 61.69 58.93 2ctn s THR 53 Cb 0.00 -2.96 0.36 0.00 1.34 0.00 0.00 72.50 71.24 2ctn s THR 53 CO 0.00 -0.04 1.87 1.55 -0.54 0.00 0.00 174.62 177.47 2ctn h PRO 54 N 1.65 0.00 -0.02 3.99 0.13 -1.99 -1.38 132.00 134.38 2ctn h PRO 54 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2ctn h PRO 54 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2ctn h PRO 54 CO 0.74 0.00 -0.23 1.49 -0.23 0.00 0.00 178.00 179.77 2ctn h GLU 55 N 0.00 0.20 0.10 0.86 4.81 -2.02 -3.26 114.58 115.27 2ctn h GLU 55 Ca 0.00 -0.18 -0.28 0.00 -0.13 0.00 0.00 59.36 58.77 2ctn h GLU 55 Cb 0.58 0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.02 2ctn h GLU 55 CO 0.00 0.87 -1.18 1.49 -0.73 0.00 0.00 179.01 179.46 2ctn h GLU 56 N -0.41 0.50 -0.24 1.92 4.57 -1.97 -3.31 114.58 115.64 2ctn h GLU 56 Ca -0.02 -0.66 0.03 0.00 -1.18 0.00 0.00 59.36 57.52 2ctn h GLU 56 Cb 0.93 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 2ctn h GLU 56 CO 0.05 1.28 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.82 2ctn h LEU 57 N 0.22 -0.91 -1.00 1.64 3.38 -1.35 1.41 115.31 118.70 2ctn h LEU 57 Ca -0.15 0.12 0.29 0.00 0.09 0.00 0.00 57.88 58.23 2ctn h LEU 57 Cb 1.85 0.38 -0.14 0.00 0.09 0.00 0.00 40.66 42.84 2ctn h LEU 57 CO 0.21 -0.18 0.57 -0.61 0.09 0.00 0.00 178.44 178.53 2ctn h GLN 58 N -0.15 0.41 0.00 1.13 5.75 -1.69 1.66 115.11 122.21 2ctn h GLN 58 Ca 0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2ctn h GLN 58 Cb 0.26 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.72 2ctn h GLN 58 CO -0.31 0.27 0.00 0.93 -2.65 0.00 0.00 178.83 177.07 2ctn h GLU 59 N 0.42 0.00 -0.22 1.69 5.08 -0.50 -2.76 114.58 118.28 2ctn h GLU 59 Ca 0.70 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.90 2ctn h GLU 59 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2ctn h GLU 59 CO -0.56 0.00 -0.47 1.98 -1.00 0.00 0.00 179.01 178.96 2ctn h MET 60 N 0.00 0.71 0.01 2.33 4.05 1.26 -3.09 114.93 120.20 2ctn h MET 60 Ca 0.00 -0.47 -0.07 0.00 -0.28 0.00 0.00 59.70 58.89 2ctn h MET 60 Cb 0.75 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 2ctn h MET 60 CO 0.00 1.09 -0.34 0.82 0.23 0.00 0.00 176.91 178.70 2ctn h ILE 61 N 0.42 1.59 -1.46 1.77 5.03 -1.51 -3.16 117.51 120.19 2ctn h ILE 61 Ca 0.00 -2.33 0.43 0.00 -0.12 0.00 0.00 64.86 62.85 2ctn h ILE 61 Cb 1.07 3.14 -0.08 0.00 -3.03 0.00 0.00 36.82 37.92 2ctn h ILE 61 CO 0.10 0.56 1.02 0.44 -0.68 0.00 0.00 178.15 179.60 2ctn h ASP 62 N -0.94 0.10 0.07 1.72 5.19 -1.61 1.94 116.42 122.89 2ctn h ASP 62 Ca -0.09 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2ctn h ASP 62 Cb 1.13 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2ctn h ASP 62 CO -0.03 -0.03 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.69 2ctn h GLU 63 N 0.06 -0.10 -0.08 3.56 5.08 -1.61 -3.34 114.58 118.15 2ctn h GLU 63 Ca 0.75 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.99 2ctn h GLU 63 Cb 2.76 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 32.02 2ctn h GLU 63 CO -0.13 0.31 -0.53 -0.39 -1.00 0.00 0.00 179.01 177.27 2ctn h VAL 64 N -0.97 1.36 -3.55 3.13 -1.51 -1.01 -3.43 116.25 110.26 2ctn h VAL 64 Ca -0.01 -1.80 -0.52 0.00 -1.23 0.00 0.00 66.70 63.14 2ctn h VAL 64 Cb 0.45 1.88 0.04 0.00 -2.13 0.00 0.00 31.29 31.53 2ctn h VAL 64 CO 0.02 0.53 0.63 -0.62 -1.23 0.00 0.00 177.57 176.90 2ctn s ASP 65 N -6.89 6.92 -0.01 4.19 -1.08 0.64 -4.92 116.67 115.52 2ctn s ASP 65 Ca -0.04 2.45 0.22 0.00 -0.52 0.00 0.00 52.55 54.65 2ctn s ASP 65 Cb 0.13 -2.62 -0.28 0.00 -1.46 0.00 0.00 42.92 38.68 2ctn s ASP 65 CO 0.79 -0.48 0.69 1.21 0.52 0.00 0.00 175.17 177.90 2ctn n GLU 66 N 2.03 0.34 -0.05 4.34 2.13 -1.26 -4.18 120.64 123.98 2ctn n GLU 66 Ca 0.04 -0.10 0.11 0.00 0.66 0.00 0.00 57.16 57.87 2ctn n GLU 66 Cb 0.43 -1.51 0.12 0.00 0.27 0.00 0.00 31.44 30.75 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2ctn n ASP 67 N -1.90 3.00 -3.46 4.31 5.68 -1.26 -5.00 116.55 117.92 2ctn n ASP 67 Ca -0.00 -1.94 -0.15 0.00 -0.50 0.00 0.00 54.79 52.20 2ctn n ASP 67 Cb 0.45 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.38 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 68 N 1.29 -1.23 0.00 6.12 0.00 -1.26 -4.92 105.19 105.20 2ctn n GLY 68 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2ctn n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 69 N -2.28 3.48 0.00 1.61 3.41 -1.26 -5.00 113.62 113.58 2ctn n SER 69 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2ctn n SER 69 Cb 0.59 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 2ctn n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctn n GLY 70 N 1.77 0.99 3.79 5.00 0.00 -1.26 -4.99 105.19 110.49 2ctn n GLY 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2ctn n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctn s THR 71 N -3.61 5.02 -0.17 2.61 -4.23 -1.26 -1.10 115.64 112.90 2ctn s THR 71 Ca 0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2ctn s THR 71 Cb 0.00 -3.16 0.04 0.00 1.34 0.00 0.00 72.50 70.71 2ctn s THR 71 CO 0.00 0.61 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.92 2ctn s VAL 72 N -0.92 1.30 0.21 2.29 1.01 -0.95 -4.85 120.40 118.49 2ctn s VAL 72 Ca 0.14 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2ctn s VAL 72 Cb -0.12 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.90 2ctn s VAL 72 CO 0.03 0.21 0.28 -0.67 0.00 0.00 0.00 175.10 174.95 2ctn n ASP 73 N 4.82 0.40 -0.47 3.32 2.03 -1.26 -0.33 116.55 125.06 2ctn n ASP 73 Ca -0.13 -1.33 0.40 0.00 0.52 0.00 0.00 54.79 54.25 2ctn n ASP 73 Cb 0.48 -0.18 0.74 0.00 -0.72 0.00 0.00 41.12 41.44 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2ctn h PHE 74 N -0.42 0.14 0.00 -0.67 3.57 -1.99 0.23 116.94 117.81 2ctn h PHE 74 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2ctn h PHE 74 Cb 0.35 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.05 2ctn h PHE 74 CO 0.00 -0.03 0.00 -0.25 -2.23 0.00 0.00 178.31 175.80 2ctn n ASP 75 N -4.22 0.00 0.12 0.41 9.92 -1.26 -3.58 116.55 117.95 2ctn n ASP 75 Ca 0.34 0.45 0.17 0.00 -0.53 0.00 0.00 54.79 55.21 2ctn n ASP 75 Cb 1.50 -0.47 0.55 0.00 -0.64 0.00 0.00 41.12 42.05 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2ctn h GLU 76 N 0.00 0.00 0.29 -1.24 5.08 -1.80 -1.91 114.58 115.00 2ctn h GLU 76 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ctn h GLU 76 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ctn h GLU 76 CO 0.00 0.00 -0.14 0.35 -1.00 0.00 0.00 179.01 178.22 2ctn h PHE 77 N 0.00 -0.36 -0.15 4.33 3.57 -0.65 -0.25 116.94 123.43 2ctn h PHE 77 Ca 0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2ctn h PHE 77 Cb 1.61 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 2ctn h PHE 77 CO 0.00 -0.22 0.24 -0.07 -2.23 0.00 0.00 178.31 176.03 2ctn h LEU 78 N -0.49 0.00 0.00 0.59 3.38 -1.41 0.39 115.31 117.76 2ctn h LEU 78 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2ctn h LEU 78 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ctn h LEU 78 CO 0.07 0.00 -0.29 0.58 0.09 0.00 0.00 178.44 178.88 2ctn h VAL 79 N 0.00 0.44 0.00 1.22 2.07 -1.28 -3.11 116.25 115.59 2ctn h VAL 79 Ca 0.07 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2ctn h VAL 79 Cb 0.56 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2ctn h VAL 79 CO -0.00 0.25 0.00 0.23 0.02 0.00 0.00 177.57 178.07 2ctn n MET 80 N -3.15 0.03 -0.07 1.57 2.81 0.14 -2.86 117.12 115.58 2ctn n MET 80 Ca 0.03 0.18 -0.05 0.00 -1.81 0.00 0.00 57.70 56.05 2ctn n MET 80 Cb 0.64 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.53 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2ctn n MET 81 N -1.48 1.37 0.13 0.03 2.81 -1.18 -3.82 117.12 114.98 2ctn n MET 81 Ca 0.05 -0.03 0.06 0.00 -1.81 0.00 0.00 57.70 55.97 2ctn n MET 81 Cb 0.20 -1.39 0.52 0.00 -0.71 0.00 0.00 33.22 31.84 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn h VAL 82 N 0.00 1.07 0.00 2.03 2.07 -1.48 0.67 116.25 120.61 2ctn h VAL 82 Ca -0.35 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 2ctn h VAL 82 Cb 1.76 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2ctn h VAL 82 CO 0.02 0.07 -1.12 0.03 0.02 0.00 0.00 177.57 176.59 2ctn h ARG 83 N 0.26 0.00 -0.60 1.57 3.08 -1.76 -3.31 114.38 113.63 2ctn h ARG 83 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2ctn h ARG 83 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2ctn h ARG 83 CO -0.01 0.17 0.00 0.43 -1.07 0.00 0.00 179.97 179.49 2ctn n SER 84 N -2.83 3.26 -0.06 7.04 7.64 -0.61 -4.17 113.62 123.88 2ctn n SER 84 Ca -0.04 -2.04 -0.07 0.00 1.01 0.00 0.00 58.87 57.73 2ctn n SER 84 Cb 0.70 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ctn n MET 85 N 1.20 1.50 0.05 1.43 2.81 0.13 -4.28 117.12 119.97 2ctn n MET 85 Ca 0.20 0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 56.00 2ctn n MET 85 Cb 0.53 -1.26 -0.05 0.00 -0.71 0.00 0.00 33.22 31.73 2ctn n MET 85 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ctn h LYS 86 N 0.00 -0.43 0.00 0.03 3.64 -1.72 -3.19 116.57 114.89 2ctn h LYS 86 Ca -0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2ctn h LYS 86 Cb 1.55 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 2ctn h LYS 86 CO -0.01 -0.29 0.00 -3.47 -2.27 0.00 0.00 179.45 173.41 2ctn n ASP 87 N -5.41 0.00 -2.68 4.20 -0.08 -1.26 -4.73 116.55 106.59 2ctn n ASP 87 Ca -0.05 0.55 -0.05 0.00 -1.51 0.00 0.00 54.79 53.74 2ctn n ASP 87 Cb 0.32 -0.05 0.09 0.00 2.34 0.00 0.00 41.12 43.82 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ctn n ASP 88 N -1.13 -1.46 0.00 1.67 -0.08 -1.21 -5.21 116.55 109.13 2ctn n ASP 88 Ca 0.00 -2.09 0.00 0.00 -1.51 0.00 0.00 54.79 51.19 2ctn n ASP 88 Cb 0.00 1.11 0.00 0.00 2.34 0.00 0.00 41.12 44.57 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08