#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn s ASP 3 N 0.00 -0.42 0.05 0.00 -4.77 -1.26 -5.07 116.67 105.21 2ctn s ASP 3 Ca 0.00 0.69 -0.01 0.00 -3.30 0.00 0.00 52.55 49.93 2ctn s ASP 3 Cb 0.00 1.05 -0.00 0.00 -1.09 0.00 0.00 42.92 42.88 2ctn s ASP 3 CO 0.00 -0.11 -0.02 -0.38 0.70 0.00 0.00 175.17 175.35 2ctn n ILE 4 N 3.22 0.84 0.04 2.11 5.41 -1.26 -4.73 119.36 124.99 2ctn n ILE 4 Ca -0.17 0.27 -0.08 0.00 1.00 0.00 0.00 62.75 63.78 2ctn n ILE 4 Cb 0.57 -1.46 -0.13 0.00 -0.71 0.00 0.00 39.64 37.91 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 -0.07 0.02 -0.68 1.39 0.05 -1.98 -3.32 116.97 112.37 2ctn h TYR 5 Ca 0.00 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.89 2ctn h TYR 5 Cb 0.07 -0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.72 2ctn h TYR 5 CO -0.03 1.01 0.25 0.87 -1.05 0.00 0.00 178.16 179.21 2ctn h LYS 6 N 0.00 0.40 -0.98 4.88 6.56 -1.95 0.35 116.57 125.83 2ctn h LYS 6 Ca -0.08 -0.02 0.27 0.00 -1.06 0.00 0.00 60.65 59.76 2ctn h LYS 6 Cb 1.83 -0.09 -0.13 0.00 -0.57 0.00 0.00 32.23 33.27 2ctn h LYS 6 CO 0.12 0.26 0.53 0.00 -2.06 0.00 0.00 179.45 178.31 2ctn h ALA 7 N 1.49 1.77 0.01 3.86 0.00 -1.85 0.76 119.26 125.29 2ctn h ALA 7 Ca 0.36 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 55.27 2ctn h ALA 7 Cb 0.51 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2ctn h ALA 7 CO -0.37 -0.41 -0.64 0.00 0.00 0.00 0.00 179.25 177.83 2ctn h ALA 8 N 1.78 0.07 0.00 0.00 0.00 -1.16 -3.06 119.26 116.88 2ctn h ALA 8 Ca 0.66 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ctn h ALA 8 Cb 1.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2ctn h ALA 8 CO -0.55 0.37 0.00 0.28 0.00 0.00 0.00 179.25 179.36 2ctn n VAL 9 N -4.19 0.74 0.09 0.00 0.31 0.11 -2.09 118.33 113.30 2ctn n VAL 9 Ca -0.11 0.19 0.05 0.00 -0.01 0.00 0.00 64.34 64.46 2ctn n VAL 9 Cb 0.69 -0.92 -0.02 0.00 -0.91 0.00 0.00 33.84 32.69 2ctn n VAL 9 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2ctn h GLU 10 N 0.00 0.00 -0.19 5.55 4.81 0.52 -3.28 114.58 121.98 2ctn h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ctn h GLU 10 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2ctn h GLU 10 CO 0.00 0.19 0.00 1.04 -0.73 0.00 0.00 179.01 179.51 2ctn n GLN 11 N -2.87 1.98 0.00 1.92 6.02 -0.89 -4.93 117.38 118.62 2ctn n GLN 11 Ca -0.04 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 2ctn n GLN 11 Cb 0.70 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 0.71 0.00 -4.18 1.08 4.77 -1.22 -5.03 117.00 113.13 2ctn n LEU 12 Ca 0.17 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 2ctn n LEU 12 Cb 0.43 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 2ctn n LEU 12 CO 0.14 -1.07 -0.50 0.42 -1.33 0.00 0.00 177.39 175.05 2ctn s THR 13 N -0.56 1.42 0.59 -5.08 -4.23 -1.26 -4.99 115.64 101.53 2ctn s THR 13 Ca 0.00 -0.84 0.33 0.00 -1.18 0.00 0.00 61.69 60.00 2ctn s THR 13 Cb 0.00 -1.19 0.47 0.00 1.34 0.00 0.00 72.50 73.12 2ctn s THR 13 CO 0.00 0.34 1.50 -0.08 -0.54 0.00 0.00 174.62 175.84 2ctn h GLU 14 N 5.53 0.00 0.00 3.99 4.81 -1.99 2.16 114.58 129.07 2ctn h GLU 14 Ca -0.38 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 2ctn h GLU 14 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2ctn h GLU 14 CO 0.47 0.00 -0.48 0.93 -0.73 0.00 0.00 179.01 179.20 2ctn h GLU 15 N 0.00 0.00 0.14 1.92 4.39 -1.99 -2.81 114.58 116.23 2ctn h GLU 15 Ca 0.54 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.94 2ctn h GLU 15 Cb 2.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.40 2ctn h GLU 15 CO -0.01 0.48 -1.53 0.37 -1.16 0.00 0.00 179.01 177.16 2ctn h GLN 16 N 0.00 0.29 -0.47 2.33 5.75 0.31 -3.22 115.11 120.11 2ctn h GLN 16 Ca -0.00 -0.50 -0.04 0.00 -0.15 0.00 0.00 58.65 57.96 2ctn h GLN 16 Cb 1.25 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.97 2ctn h GLN 16 CO 0.06 1.24 0.15 -0.22 -2.65 0.00 0.00 178.83 177.41 2ctn h LYS 17 N -0.17 0.73 0.00 1.69 1.63 -1.45 -2.03 116.57 116.97 2ctn h LYS 17 Ca -0.32 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.30 2ctn h LYS 17 Cb 1.87 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.39 2ctn h LYS 17 CO 0.10 0.69 -0.12 -0.91 -3.45 0.00 0.00 179.45 175.75 2ctn h ASN 18 N 0.62 0.00 0.04 4.20 2.35 -1.65 0.26 115.58 121.40 2ctn h ASN 18 Ca 0.15 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.65 2ctn h ASN 18 Cb 0.26 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.65 2ctn h ASN 18 CO -0.01 0.12 -0.98 -0.08 -1.65 0.00 0.00 177.43 174.83 2ctn h GLU 19 N 0.00 0.66 0.00 0.81 4.81 -1.43 -2.71 114.58 116.73 2ctn h GLU 19 Ca -0.00 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.54 2ctn h GLU 19 Cb 0.24 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ctn h GLU 19 CO 0.02 1.27 -0.05 0.74 -0.73 0.00 0.00 179.01 180.26 2ctn h PHE 20 N 0.39 0.00 -0.41 0.92 0.04 -0.90 -1.80 116.94 115.18 2ctn h PHE 20 Ca -0.11 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.75 2ctn h PHE 20 Cb 1.63 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.70 2ctn h PHE 20 CO 0.09 0.84 -0.13 -0.22 -0.60 0.00 0.00 178.31 178.29 2ctn h LYS 21 N -1.00 -0.04 0.64 1.51 3.64 -0.64 0.58 116.57 121.26 2ctn h LYS 21 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2ctn h LYS 21 Cb 0.84 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2ctn h LYS 21 CO -0.01 -0.03 -0.31 0.00 -2.27 0.00 0.00 179.45 176.84 2ctn h ALA 22 N 1.33 -0.88 -0.81 5.00 0.00 -1.61 -2.86 119.26 119.42 2ctn h ALA 22 Ca 0.20 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.11 2ctn h ALA 22 Cb 0.35 0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 2ctn h ALA 22 CO -0.45 -0.82 -0.02 0.00 0.00 0.00 0.00 179.25 177.97 2ctn h ALA 23 N -1.27 0.83 -0.43 0.00 0.00 -1.10 0.35 119.26 117.65 2ctn h ALA 23 Ca -0.09 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2ctn h ALA 23 Cb 0.66 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2ctn h ALA 23 CO 0.14 -0.44 -0.37 0.35 0.00 0.00 0.00 179.25 178.93 2ctn h PHE 24 N 0.07 -1.05 0.34 0.00 3.04 0.22 0.28 116.94 119.85 2ctn h PHE 24 Ca 0.45 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 62.45 2ctn h PHE 24 Cb 0.81 0.52 0.00 0.00 2.56 0.00 0.00 35.95 39.84 2ctn h PHE 24 CO -0.47 -0.41 -0.16 0.22 -2.02 0.00 0.00 178.31 175.47 2ctn h ASP 25 N -0.27 -0.39 -1.20 0.41 1.82 -0.38 0.47 116.42 116.88 2ctn h ASP 25 Ca 0.17 -0.13 0.35 0.00 -0.39 0.00 0.00 57.03 57.02 2ctn h ASP 25 Cb 0.56 0.10 -0.05 0.00 0.68 0.00 0.00 39.33 40.62 2ctn h ASP 25 CO -0.57 -0.07 0.95 0.40 -1.61 0.00 0.00 179.24 178.34 2ctn h ILE 26 N -0.72 0.27 0.00 2.25 2.04 0.13 1.01 117.51 122.49 2ctn h ILE 26 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2ctn h ILE 26 Cb 0.50 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2ctn h ILE 26 CO 0.08 0.00 -1.76 0.49 0.00 0.00 0.00 178.15 176.96 2ctn n PHE 27 N -3.94 0.24 1.25 1.37 3.72 0.94 -4.08 117.46 116.96 2ctn n PHE 27 Ca 0.26 0.07 0.04 0.00 -0.05 0.00 0.00 57.45 57.77 2ctn n PHE 27 Cb 1.34 -0.62 0.12 0.00 -0.94 0.00 0.00 39.48 39.38 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 -2.37 0.31 -1.48 -4.37 0.31 0.34 -4.67 118.33 106.42 2ctn n VAL 28 Ca -0.03 -0.32 -0.15 0.00 -0.01 0.00 0.00 64.34 63.83 2ctn n VAL 28 Cb 0.57 0.16 -0.13 0.00 -0.91 0.00 0.00 33.84 33.54 2ctn n VAL 28 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ctn n LEU 29 N 0.19 0.15 0.00 7.52 7.99 -0.76 -1.39 117.00 130.70 2ctn n LEU 29 Ca 0.08 -1.28 0.00 0.00 -0.01 0.00 0.00 56.01 54.80 2ctn n LEU 29 Cb 0.20 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.36 2ctn n LEU 29 CO 0.06 -2.24 0.00 0.61 -1.51 0.00 0.00 177.39 174.31 2ctn n GLY 30 N 6.00 2.99 5.73 -0.72 0.00 -1.26 -5.04 105.19 112.89 2ctn n GLY 30 Ca 0.48 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.00 -0.07 4.61 0.00 -0.49 -4.40 120.51 120.17 2ctn n ALA 31 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2ctn n ALA 31 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2ctn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ctn n GLU 32 N 0.00 1.75 -0.49 0.00 -0.58 -1.26 -4.79 120.64 115.27 2ctn n GLU 32 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2ctn n GLU 32 Cb 0.00 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ctn n ASP 33 N -2.53 0.00 0.00 1.62 5.68 -1.26 -4.97 116.55 115.09 2ctn n ASP 33 Ca -0.22 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 2ctn n ASP 33 Cb 0.91 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 34 N 0.00 1.65 0.00 6.12 0.00 -1.26 -5.08 105.19 106.61 2ctn n GLY 34 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2ctn n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctn n SER 35 N 0.42 0.00 -3.75 1.61 7.64 -1.26 -4.87 113.62 113.40 2ctn n SER 35 Ca 0.00 -0.63 -0.28 0.00 1.01 0.00 0.00 58.87 58.97 2ctn n SER 35 Cb 0.10 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ctn s ILE 36 N -2.04 0.64 0.43 0.44 1.01 -1.01 -4.42 121.20 116.26 2ctn s ILE 36 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2ctn s ILE 36 Cb 0.00 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 2ctn s ILE 36 CO 0.00 -0.23 0.80 -0.94 0.00 0.00 0.00 174.94 174.56 2ctn s SER 37 N 1.80 6.50 0.63 3.58 1.04 -1.26 -1.01 113.70 124.97 2ctn s SER 37 Ca -0.01 1.16 0.22 0.00 0.48 0.00 0.00 55.95 57.80 2ctn s SER 37 Cb -0.17 -2.34 1.05 0.00 0.10 0.00 0.00 66.02 64.66 2ctn s SER 37 CO -0.09 -0.44 1.55 0.00 0.98 0.00 0.00 173.24 175.24 2ctn h THR 38 N 0.97 0.10 0.01 2.02 1.03 -1.11 2.48 112.91 118.40 2ctn h THR 38 Ca -0.47 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.69 2ctn h THR 38 Cb 1.19 0.33 -0.03 0.00 -1.07 0.00 0.00 68.15 68.56 2ctn h THR 38 CO 0.63 0.00 -1.26 0.50 -0.01 0.00 0.00 175.52 175.39 2ctn h LYS 39 N 0.00 0.02 0.00 0.00 1.63 -1.89 -2.83 116.57 113.50 2ctn h LYS 39 Ca 0.20 -0.04 -0.29 0.00 -0.85 0.00 0.00 60.65 59.67 2ctn h LYS 39 Cb 1.72 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 33.31 2ctn h LYS 39 CO -0.00 0.86 -2.20 -1.91 -3.45 0.00 0.00 179.45 172.74 2ctn n GLU 40 N -3.27 0.97 0.18 1.90 4.07 0.39 -4.33 120.64 120.56 2ctn n GLU 40 Ca -0.06 -0.03 0.07 0.00 -0.06 0.00 0.00 57.16 57.08 2ctn n GLU 40 Cb 0.98 -1.47 0.13 0.00 -0.06 0.00 0.00 31.44 31.03 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2ctn h LEU 41 N 0.00 0.00 -0.90 4.31 6.46 0.35 -3.29 115.31 122.24 2ctn h LEU 41 Ca -0.43 0.00 0.24 0.00 -0.12 0.00 0.00 57.88 57.58 2ctn h LEU 41 Cb 1.96 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.73 2ctn h LEU 41 CO 0.02 0.27 0.17 1.23 -0.62 0.00 0.00 178.44 179.51 2ctn h GLY 42 N 3.54 1.31 2.00 3.75 0.00 -1.62 2.18 103.07 114.22 2ctn h GLY 42 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2ctn h GLY 42 CO 0.04 -0.42 0.00 0.50 0.00 0.00 0.00 176.54 176.66 2ctn h LYS 43 N 0.13 0.00 0.18 4.80 1.79 -1.85 -2.90 116.57 118.73 2ctn h LYS 43 Ca 0.56 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.73 2ctn h LYS 43 Cb 1.15 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.82 2ctn h LYS 43 CO -0.73 0.00 -1.34 0.28 -1.08 0.00 0.00 179.45 176.57 2ctn h VAL 44 N 0.00 1.40 -0.04 0.50 2.07 0.33 -2.96 116.25 117.54 2ctn h VAL 44 Ca 0.00 -2.87 -0.02 0.00 0.82 0.00 0.00 66.70 64.62 2ctn h VAL 44 Cb 0.66 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2ctn h VAL 44 CO 0.00 0.85 -0.07 -0.03 0.02 0.00 0.00 177.57 178.34 2ctn h MET 45 N 0.12 0.12 0.00 1.57 -1.53 -0.83 -2.69 114.93 111.68 2ctn h MET 45 Ca -0.19 -0.08 -0.02 0.00 -3.44 0.00 0.00 59.70 55.97 2ctn h MET 45 Cb 2.05 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 33.11 2ctn h MET 45 CO 0.24 0.65 -0.10 -0.09 0.14 0.00 0.00 176.91 177.74 2ctn h ARG 46 N -0.39 0.00 0.00 0.39 2.43 -1.65 -1.84 114.38 113.32 2ctn h ARG 46 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2ctn h ARG 46 Cb 0.64 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2ctn h ARG 46 CO 0.02 0.10 -0.43 0.00 -1.51 0.00 0.00 179.97 178.15 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.45 -3.22 114.93 110.46 2ctn h MET 47 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 2ctn h MET 47 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2ctn h MET 47 CO 0.01 0.41 -0.23 -0.07 -0.00 0.00 0.00 176.91 177.04 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -1.02 -3.46 115.31 114.11 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 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2ctn h LEU 48 CO 0.05 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2ctn n GLY 49 N 1.14 1.47 3.91 0.83 0.00 -1.11 -5.12 105.19 106.32 2ctn n GLY 49 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 2.24 -0.40 1.61 -1.52 -0.84 -5.02 119.66 115.74 2ctn s GLN 50 Ca 0.00 -2.04 0.09 0.00 -1.95 0.00 0.00 55.36 51.46 2ctn s GLN 50 Cb 0.00 -2.10 0.30 0.00 -0.22 0.00 0.00 33.01 30.99 2ctn s GLN 50 CO 0.00 -0.66 0.73 -1.71 -0.25 0.00 0.00 175.29 173.40 2ctn n ASN 51 N -1.81 -0.22 -3.18 5.90 2.85 -1.26 -4.46 115.26 113.08 2ctn n ASN 51 Ca -0.01 -3.03 0.00 0.00 -0.11 0.00 0.00 54.58 51.42 2ctn n ASN 51 Cb 0.64 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.65 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 0.80 0.50 -1.19 1.20 -0.04 -1.26 -5.09 135.00 129.92 2ctn n PRO 52 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2ctn n PRO 52 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 2ctn n PRO 52 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ctn n THR 53 N -0.98 0.00 -0.03 0.52 -2.24 -1.26 -4.90 114.28 105.39 2ctn n THR 53 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2ctn n THR 53 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 2ctn n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2ctn h PRO 54 N 0.00 0.11 0.00 -0.78 0.13 -1.99 -0.49 132.00 128.98 2ctn h PRO 54 Ca 0.00 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2ctn h PRO 54 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2ctn h PRO 54 CO 0.00 1.09 -0.31 0.93 -0.23 0.00 0.00 178.00 179.48 2ctn h GLU 55 N -0.76 0.00 0.11 0.86 4.39 -2.02 -3.34 114.58 113.81 2ctn h GLU 55 Ca -0.08 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.25 2ctn h GLU 55 Cb 1.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2ctn h GLU 55 CO 0.04 0.00 -2.04 0.39 -1.16 0.00 0.00 179.01 176.24 2ctn n GLU 56 N -2.54 0.74 -0.09 2.33 -0.58 -1.25 -3.50 120.64 115.74 2ctn n GLU 56 Ca 0.04 0.26 0.24 0.00 -0.42 0.00 0.00 57.16 57.28 2ctn n GLU 56 Cb 0.48 -1.68 0.51 0.00 -0.57 0.00 0.00 31.44 30.17 2ctn n GLU 56 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 2ctn h LEU 57 N 0.02 0.00 0.00 -4.62 8.10 -1.20 1.25 115.31 118.87 2ctn h LEU 57 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.43 2ctn h LEU 57 Cb 1.99 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.19 2ctn h LEU 57 CO 0.05 0.00 -2.09 1.67 -4.11 0.00 0.00 178.44 173.97 2ctn n GLN 58 N -3.31 0.70 0.06 0.17 -0.06 -1.26 -4.34 117.38 109.34 2ctn n GLN 58 Ca 0.17 -0.13 -0.05 0.00 -2.00 0.00 0.00 57.00 54.99 2ctn n GLN 58 Cb 1.23 -1.50 -0.09 0.00 -4.06 0.00 0.00 30.24 25.83 2ctn n GLN 58 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2ctn h GLU 59 N 0.00 0.00 -0.40 3.69 4.81 0.13 -3.00 114.58 119.81 2ctn h GLU 59 Ca -0.18 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2ctn h GLU 59 Cb 1.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2ctn h GLU 59 CO 0.01 0.75 0.13 1.98 -0.73 0.00 0.00 179.01 181.14 2ctn h MET 60 N 0.00 0.58 0.04 1.92 4.05 -0.67 -3.04 114.93 117.81 2ctn h MET 60 Ca -0.07 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.15 2ctn h MET 60 Cb 1.71 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.41 2ctn h MET 60 CO 0.10 0.51 -0.60 0.82 0.23 0.00 0.00 176.91 177.96 2ctn h ILE 61 N 0.57 1.46 -1.61 1.77 5.03 -1.76 -3.18 117.51 119.79 2ctn h ILE 61 Ca 0.14 -2.36 0.47 0.00 -0.12 0.00 0.00 64.86 62.99 2ctn h ILE 61 Cb 0.17 3.04 -0.07 0.00 -3.03 0.00 0.00 36.82 36.93 2ctn h ILE 61 CO -0.01 0.59 1.16 0.44 -0.68 0.00 0.00 178.15 179.64 2ctn h ASP 62 N -0.78 0.02 0.10 1.72 5.19 -1.46 2.02 116.42 123.24 2ctn h ASP 62 Ca -0.14 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.08 2ctn h ASP 62 Cb 1.29 0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.82 2ctn h ASP 62 CO -0.00 -0.01 -0.95 -0.33 -3.12 0.00 0.00 179.24 174.82 2ctn h GLU 63 N 0.01 0.22 0.00 3.56 5.08 -1.62 -3.32 114.58 118.51 2ctn h GLU 63 Ca 0.78 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2ctn h GLU 63 Cb 3.08 0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.47 2ctn h GLU 63 CO -0.04 1.18 -0.13 1.33 -1.00 0.00 0.00 179.01 180.35 2ctn n VAL 64 N -4.14 0.30 -3.08 3.13 0.24 0.87 -4.70 118.33 110.95 2ctn n VAL 64 Ca -0.19 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 2ctn n VAL 64 Cb 0.80 -0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 2ctn n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ctn s ASP 65 N -3.81 6.43 0.00 -1.34 2.15 0.65 -4.90 116.67 115.86 2ctn s ASP 65 Ca 0.11 0.11 0.04 0.00 0.43 0.00 0.00 52.55 53.24 2ctn s ASP 65 Cb 0.15 -2.34 0.16 0.00 -0.30 0.00 0.00 42.92 40.59 2ctn s ASP 65 CO 0.60 -0.66 1.12 -1.84 -0.17 0.00 0.00 175.17 174.22 2ctn n GLU 66 N 6.17 1.18 0.00 4.34 0.28 -1.26 -3.20 120.64 128.15 2ctn n GLU 66 Ca -0.00 -0.27 0.00 0.00 -0.16 0.00 0.00 57.16 56.72 2ctn n GLU 66 Cb 0.48 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.27 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ctn n ASP 67 N -0.30 0.33 -3.17 -1.84 5.75 -1.26 -5.06 116.55 111.01 2ctn n ASP 67 Ca 0.04 -0.65 -0.08 0.00 -0.01 0.00 0.00 54.79 54.08 2ctn n ASP 67 Cb 0.07 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ctn n GLY 68 N 0.47 -1.18 1.33 6.12 0.00 -1.19 -4.96 105.19 105.77 2ctn n GLY 68 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -1.51 0.26 0.00 1.61 3.41 -1.26 -5.05 113.62 111.09 2ctn n SER 69 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2ctn n SER 69 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 2.17 0.90 3.90 5.00 0.00 -1.26 -5.02 105.19 110.89 2ctn n GLY 70 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 4.79 -0.24 2.61 -4.23 -1.26 -0.57 115.64 114.74 2ctn s THR 71 Ca 0.00 -1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 59.29 2ctn s THR 71 Cb 0.00 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.34 2ctn s THR 71 CO 0.00 -0.33 0.26 -0.69 -0.54 0.00 0.00 174.62 173.32 2ctn s VAL 72 N -2.07 -0.37 0.00 2.29 1.01 -0.18 -4.93 120.40 116.15 2ctn s VAL 72 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2ctn s VAL 72 Cb -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2ctn s VAL 72 CO 0.27 -0.31 0.00 -0.90 0.00 0.00 0.00 175.10 174.16 2ctn n ASP 73 N 5.32 0.00 0.23 3.32 5.75 -1.26 -2.40 116.55 127.51 2ctn n ASP 73 Ca -0.04 -0.59 0.18 0.00 -0.01 0.00 0.00 54.79 54.33 2ctn n ASP 73 Cb 0.48 0.00 0.83 0.00 -1.03 0.00 0.00 41.12 41.40 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2ctn h PHE 74 N -0.39 0.00 0.00 2.11 3.57 -2.00 -0.21 116.94 120.02 2ctn h PHE 74 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ctn h PHE 74 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2ctn h PHE 74 CO 0.00 0.00 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.57 2ctn h ASP 75 N 0.00 0.00 -0.69 0.41 5.19 -2.01 -3.30 116.42 116.03 2ctn h ASP 75 Ca 0.08 0.00 0.20 0.00 -0.62 0.00 0.00 57.03 56.69 2ctn h ASP 75 Cb 0.70 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.18 2ctn h ASP 75 CO -0.00 0.28 0.50 -0.33 -3.12 0.00 0.00 179.24 176.58 2ctn h GLU 76 N -0.49 0.00 0.68 3.56 5.08 -1.84 -1.97 114.58 119.60 2ctn h GLU 76 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ctn h GLU 76 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ctn h GLU 76 CO 0.00 0.00 -0.43 0.35 -1.00 0.00 0.00 179.01 177.93 2ctn h PHE 77 N 0.00 -1.13 0.00 4.33 3.57 -1.17 -1.13 116.94 121.41 2ctn h PHE 77 Ca 0.33 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2ctn h PHE 77 Cb 1.33 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 40.48 2ctn h PHE 77 CO 0.00 -0.64 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.36 2ctn h LEU 78 N -1.04 0.00 -0.44 0.59 3.38 -1.46 -1.23 115.31 115.11 2ctn h LEU 78 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2ctn h LEU 78 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2ctn h LEU 78 CO 0.08 0.01 0.00 0.58 0.09 0.00 0.00 178.44 179.20 2ctn h VAL 79 N 0.00 0.00 0.62 1.22 2.07 -0.62 -3.24 116.25 116.30 2ctn h VAL 79 Ca -0.00 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2ctn h VAL 79 Cb 0.29 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2ctn h VAL 79 CO 0.00 0.00 -0.30 -0.03 0.02 0.00 0.00 177.57 177.26 2ctn h MET 80 N 0.00 -0.81 -0.50 1.57 -1.53 -0.02 -2.98 114.93 110.66 2ctn h MET 80 Ca 0.00 0.05 0.11 0.00 -3.44 0.00 0.00 59.70 56.43 2ctn h MET 80 Cb 0.78 0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.99 2ctn h MET 80 CO 0.00 -0.50 0.34 0.00 0.14 0.00 0.00 176.91 176.90 2ctn h MET 81 N -1.14 0.18 -0.94 0.39 3.00 -1.68 0.17 114.93 114.91 2ctn h MET 81 Ca -0.09 -0.01 0.13 0.00 0.00 0.00 0.00 59.70 59.74 2ctn h MET 81 Cb 0.68 -0.04 -0.09 0.00 0.00 0.00 0.00 31.60 32.15 2ctn h MET 81 CO 0.14 0.12 0.56 0.28 0.00 0.00 0.00 176.91 178.01 2ctn h VAL 82 N 0.18 0.84 -0.26 -0.10 2.07 -1.55 0.88 116.25 118.32 2ctn h VAL 82 Ca 0.23 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ctn h VAL 82 Cb 0.68 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2ctn h VAL 82 CO -0.04 0.15 0.00 0.54 0.02 0.00 0.00 177.57 178.25 2ctn n ARG 83 N -4.72 2.05 0.00 1.57 1.74 -0.33 -4.32 116.66 112.65 2ctn n ARG 83 Ca 0.18 -1.91 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 2ctn n ARG 83 Cb 0.40 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2ctn n ARG 83 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ctn n SER 84 N 1.04 1.36 -0.80 0.55 3.41 0.46 -4.63 113.62 114.99 2ctn n SER 84 Ca 0.14 -1.49 0.05 0.00 -0.26 0.00 0.00 58.87 57.30 2ctn n SER 84 Cb 0.48 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.60 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2ctn n MET 85 N -0.25 2.12 -3.41 4.33 2.81 0.29 -4.79 117.12 118.22 2ctn n MET 85 Ca 0.00 -1.34 -0.43 0.00 -1.81 0.00 0.00 57.70 54.12 2ctn n MET 85 Cb 0.18 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 31.15 2ctn n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2ctn s LYS 86 N -1.62 3.08 -0.06 0.03 -0.14 -1.26 -4.93 119.74 114.85 2ctn s LYS 86 Ca 0.24 -0.87 -0.10 0.00 -1.36 0.00 0.00 55.97 53.89 2ctn s LYS 86 Cb 0.14 -3.96 -0.30 0.00 -1.68 0.00 0.00 37.83 32.04 2ctn s LYS 86 CO 0.14 -0.76 0.63 0.22 -0.76 0.00 0.00 175.35 174.82 2ctn h ASP 87 N 8.65 0.57 -0.27 2.83 1.82 -2.00 -3.42 116.42 124.60 2ctn h ASP 87 Ca -0.27 -0.91 -0.25 0.00 -0.39 0.00 0.00 57.03 55.21 2ctn h ASP 87 Cb 1.12 -0.19 -0.23 0.00 0.68 0.00 0.00 39.33 40.72 2ctn h ASP 87 CO 0.75 1.77 -0.60 -0.90 -1.61 0.00 0.00 179.24 178.65 2ctn n ASP 88 N -3.56 -0.79 -0.78 2.28 5.75 -1.26 -5.28 116.55 112.91 2ctn n ASP 88 Ca -0.25 -2.45 0.13 0.00 -0.01 0.00 0.00 54.79 52.21 2ctn n ASP 88 Cb 1.07 0.49 0.26 0.00 -1.03 0.00 0.00 41.12 41.91 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85