#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktb s LYS 2 N 0.00 0.80 0.05 0.00 -0.14 -0.29 -4.79 119.74 115.37 3ktb s LYS 2 Ca 0.00 0.85 -0.27 0.00 -1.36 0.00 0.00 55.97 55.19 3ktb s LYS 2 Cb 0.00 0.39 -0.05 0.00 -1.68 0.00 0.00 37.83 36.49 3ktb s LYS 2 CO 0.00 -0.12 0.85 0.21 -0.76 0.00 0.00 175.35 175.53 3ktb s LYS 3 N 0.18 4.57 -0.14 1.68 2.47 -1.26 -4.64 119.74 122.60 3ktb s LYS 3 Ca -0.01 1.22 0.01 0.00 -1.56 0.00 0.00 55.97 55.62 3ktb s LYS 3 Cb -0.04 -3.39 -0.01 0.00 -1.46 0.00 0.00 37.83 32.94 3ktb s LYS 3 CO 0.02 0.20 -0.16 0.42 0.16 0.00 0.00 175.35 175.99 3ktb s ILE 4 N 0.16 2.70 -0.08 5.43 1.01 -1.26 -0.14 121.20 129.02 3ktb s ILE 4 Ca 0.43 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3ktb s ILE 4 Cb -0.21 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.15 3ktb s ILE 4 CO 0.25 0.52 -0.10 -0.70 0.00 0.00 0.00 174.94 174.92 3ktb s GLU 5 N 0.61 1.55 -0.17 2.79 2.12 -0.23 -3.26 118.70 122.11 3ktb s GLU 5 Ca -0.09 -0.32 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 3ktb s GLU 5 Cb -0.16 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.77 3ktb s GLU 5 CO 0.03 -0.10 -0.02 0.42 -0.54 0.00 0.00 175.26 175.05 3ktb s ILE 6 N 1.12 4.02 -0.41 -3.70 1.01 -0.06 -0.36 121.20 122.82 3ktb s ILE 6 Ca -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 3ktb s ILE 6 Cb -0.14 -2.78 0.07 0.00 0.01 0.00 0.00 42.46 39.62 3ktb s ILE 6 CO -0.02 0.47 0.24 -0.36 0.00 0.00 0.00 174.94 175.28 3ktb s PHE 7 N 0.53 3.33 0.74 3.97 0.08 0.59 -0.40 117.98 126.82 3ktb s PHE 7 Ca -0.02 -1.52 -0.11 0.00 0.12 0.00 0.00 56.93 55.40 3ktb s PHE 7 Cb -0.14 -2.88 0.04 0.00 -0.57 0.00 0.00 43.02 39.47 3ktb s PHE 7 CO 0.02 -0.83 1.11 -0.51 -0.10 0.00 0.00 175.22 174.91 3ktb s ASP 8 N 2.02 5.09 1.23 1.36 1.01 0.57 -0.99 116.67 126.96 3ktb s ASP 8 Ca 0.03 0.95 -0.17 0.00 0.71 0.00 0.00 52.55 54.07 3ktb s ASP 8 Cb -0.22 -1.65 0.30 0.00 1.01 0.00 0.00 42.92 42.36 3ktb s ASP 8 CO 0.02 -1.54 1.03 -2.84 0.21 0.00 0.00 175.17 172.05 3ktb s PRO 9 N -5.41 -1.46 0.85 8.23 0.02 -1.26 -3.57 135.00 132.40 3ktb s PRO 9 Ca 0.59 0.32 -0.12 0.00 0.02 0.00 0.00 61.00 61.82 3ktb s PRO 9 Cb -0.11 -1.53 0.11 0.00 0.02 0.00 0.00 34.50 32.99 3ktb s PRO 9 CO 0.50 -3.95 1.18 0.00 -0.33 0.00 0.00 177.00 174.40 3ktb s ALA 10 N -2.62 1.68 -1.04 -1.55 0.00 -1.26 -3.62 121.76 113.35 3ktb s ALA 10 Ca 0.69 0.75 0.13 0.00 0.00 0.00 0.00 51.96 53.53 3ktb s ALA 10 Cb -0.17 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 3ktb s ALA 10 CO 0.59 -2.49 0.70 0.00 0.00 0.00 0.00 175.76 174.55 3ktb h PRO 14 N 2.00 0.00 0.00 0.00 0.11 -2.01 -1.22 132.00 130.88 3ktb h PRO 14 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ktb h PRO 14 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ktb h PRO 14 CO 0.34 0.00 -1.36 0.25 -0.21 0.00 0.00 178.00 177.03 3ktb n THR 15 N -4.23 0.00 -0.98 -1.15 -2.24 -1.26 -4.95 114.28 99.47 3ktb n THR 15 Ca 0.01 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3ktb n THR 15 Cb 0.27 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3ktb n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktb n GLY 16 N 1.42 0.35 1.88 3.38 0.00 -0.46 -4.89 105.19 106.87 3ktb n GLY 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ktb n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ktb n LEU 17 N 0.00 5.88 0.03 0.99 4.77 -1.26 -4.69 117.00 122.72 3ktb n LEU 17 Ca 0.00 -3.50 -0.04 0.00 -0.03 0.00 0.00 56.01 52.45 3ktb n LEU 17 Cb 0.16 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 3ktb n LEU 17 CO 0.00 1.00 0.10 0.00 -1.33 0.00 0.00 177.39 177.16 3ktb n GLY 19 N 1.27 -3.07 0.13 0.00 0.00 -1.26 -4.99 105.19 97.27 3ktb n GLY 19 Ca -0.03 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 3ktb n GLY 19 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ktb h THR 20 N -2.16 1.46 -3.45 2.61 1.35 -1.99 -3.42 112.91 107.29 3ktb h THR 20 Ca -0.13 -2.68 -0.61 0.00 -0.55 0.00 0.00 66.41 62.44 3ktb h THR 20 Cb 0.42 2.59 -0.11 0.00 -1.73 0.00 0.00 68.15 69.31 3ktb h THR 20 CO 0.08 0.79 0.26 0.20 -0.25 0.00 0.00 175.52 176.60 3ktb s ASN 21 N -7.06 6.62 -0.35 5.36 -0.87 -1.26 -5.02 114.94 112.36 3ktb s ASN 21 Ca -0.04 0.68 -0.17 0.00 -1.57 0.00 0.00 52.86 51.76 3ktb s ASN 21 Cb 0.09 -2.37 -0.01 0.00 -0.02 0.00 0.00 41.25 38.94 3ktb s ASN 21 CO 0.86 -0.48 0.45 -0.63 -2.57 0.00 0.00 177.10 174.73 3ktb s ILE 22 N 2.69 5.08 -0.05 0.60 -1.09 -1.26 -4.96 121.20 122.22 3ktb s ILE 22 Ca 0.29 0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 58.60 3ktb s ILE 22 Cb -0.15 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3ktb s ILE 22 CO 0.10 -0.17 1.46 0.21 -1.23 0.00 0.00 174.94 175.31 3ktb s ASN 23 N 1.75 6.81 0.29 3.58 3.84 -1.26 -4.90 114.94 125.05 3ktb s ASN 23 Ca 0.15 2.08 0.01 0.00 0.21 0.00 0.00 52.86 55.31 3ktb s ASN 23 Cb -0.16 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.53 3ktb s ASN 23 CO 0.13 -0.80 1.87 -0.65 -2.79 0.00 0.00 177.10 174.86 3ktb h PRO 24 N 8.44 0.99 -0.37 0.43 0.11 -2.02 -1.92 132.00 137.66 3ktb h PRO 24 Ca -0.36 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 3ktb h PRO 24 Cb 1.16 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3ktb h PRO 24 CO 0.93 0.66 -0.39 0.93 -0.21 0.00 0.00 178.00 179.92 3ktb h GLU 25 N 1.02 0.91 -1.08 1.05 4.39 -2.04 -0.70 114.58 118.14 3ktb h GLU 25 Ca 0.45 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3ktb h GLU 25 Cb 0.36 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3ktb h GLU 25 CO -0.21 1.14 0.00 1.28 -1.16 0.00 0.00 179.01 180.07 3ktb n LEU 26 N -4.08 0.17 0.00 1.33 4.77 -0.72 -1.41 117.00 117.06 3ktb n LEU 26 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3ktb n LEU 26 Cb 0.55 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3ktb n LEU 26 CO 0.48 0.03 0.00 -1.14 -1.33 0.00 0.00 177.39 175.44 3ktb n ARG 28 N 0.73 0.00 -0.02 3.23 0.63 -0.27 -0.94 116.66 120.02 3ktb n ARG 28 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3ktb n ARG 28 Cb 0.03 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.09 3ktb n ARG 28 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 3ktb h ILE 29 N 0.00 1.27 -0.52 5.15 6.09 -1.51 -1.81 117.51 126.19 3ktb h ILE 29 Ca 0.00 -1.34 -0.07 0.00 -1.37 0.00 0.00 64.86 62.07 3ktb h ILE 29 Cb 0.00 1.35 -0.02 0.00 0.47 0.00 0.00 36.82 38.62 3ktb h ILE 29 CO 0.00 0.43 0.03 0.00 -3.07 0.00 0.00 178.15 175.54 3ktb h ALA 30 N 1.21 1.07 -0.30 0.18 0.00 -1.28 -0.25 119.26 119.88 3ktb h ALA 30 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3ktb h ALA 30 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ktb h ALA 30 CO 0.06 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.13 3ktb h VAL 31 N 0.81 1.27 0.06 0.00 2.07 -1.75 -1.29 116.25 117.41 3ktb h VAL 31 Ca 0.16 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3ktb h VAL 31 Cb 0.44 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3ktb h VAL 31 CO 0.02 0.34 -0.20 0.58 0.02 0.00 0.00 177.57 178.33 3ktb h VAL 32 N 0.34 0.55 -0.93 2.57 2.07 -1.11 0.11 116.25 119.85 3ktb h VAL 32 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 3ktb h VAL 32 Cb 0.51 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3ktb h VAL 32 CO 0.02 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.61 3ktb h ILE 33 N -0.35 1.00 -0.17 4.57 2.04 -0.93 -0.76 117.51 122.92 3ktb h ILE 33 Ca 0.04 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 3ktb h ILE 33 Cb 0.39 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3ktb h ILE 33 CO -0.14 0.18 -0.59 -0.08 0.00 0.00 0.00 178.15 177.51 3ktb h GLU 34 N 0.98 0.54 0.07 2.37 4.57 -0.83 -0.08 114.58 122.20 3ktb h GLU 34 Ca 0.42 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3ktb h GLU 34 Cb 0.34 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3ktb h GLU 34 CO -0.18 0.98 -0.03 0.77 -1.18 0.00 0.00 179.01 179.36 3ktb h SER 35 N 0.41 -0.08 -0.82 1.04 0.02 -0.13 -1.25 113.55 112.74 3ktb h SER 35 Ca -0.00 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3ktb h SER 35 Cb 1.15 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 3ktb h SER 35 CO 0.11 0.01 0.54 -0.07 -1.14 0.00 0.00 176.83 176.29 3ktb h LEU 36 N -0.16 0.94 -0.84 5.07 3.38 -1.04 -2.13 115.31 120.53 3ktb h LEU 36 Ca -0.01 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ktb h LEU 36 Cb 0.13 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ktb h LEU 36 CO 0.02 0.68 0.53 0.50 0.09 0.00 0.00 178.44 180.25 3ktb h LYS 37 N 1.11 0.96 0.00 1.13 3.64 -0.66 0.16 116.57 122.92 3ktb h LYS 37 Ca 0.30 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3ktb h LYS 37 Cb -0.12 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.48 3ktb h LYS 37 CO -0.07 0.64 0.04 0.87 -2.27 0.00 0.00 179.45 178.66 3ktb h LYS 38 N 0.99 0.00 -0.43 1.90 1.57 -0.53 -0.09 116.57 119.98 3ktb h LYS 38 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3ktb h LYS 38 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ktb h LYS 38 CO -0.15 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.77 3ktb n GLN 39 N -2.89 3.14 -1.35 3.15 6.02 -0.12 -4.93 117.38 120.40 3ktb n GLN 39 Ca -0.03 -2.54 -0.09 0.00 -0.01 0.00 0.00 57.00 54.34 3ktb n GLN 39 Cb 0.10 -1.62 -0.04 0.00 1.02 0.00 0.00 30.24 29.71 3ktb n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ktb n GLY 40 N 0.45 1.00 3.43 1.08 0.00 -0.05 -5.01 105.19 106.09 3ktb n GLY 40 Ca 0.19 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 3ktb n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ktb s ILE 41 N -2.35 4.39 -0.31 -0.61 1.01 0.38 -4.99 121.20 118.73 3ktb s ILE 41 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 3ktb s ILE 41 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 3ktb s ILE 41 CO 0.00 0.19 0.18 -0.63 0.00 0.00 0.00 174.94 174.68 3ktb s ILE 42 N 1.60 4.98 -0.39 2.92 -1.09 -1.26 -2.43 121.20 125.53 3ktb s ILE 42 Ca 0.05 -0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.17 3ktb s ILE 42 Cb -0.16 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 3ktb s ILE 42 CO 0.05 0.12 0.24 -0.69 -1.23 0.00 0.00 174.94 173.43 3ktb s VAL 43 N 1.69 4.85 0.17 2.92 1.01 -1.26 -4.75 120.40 125.03 3ktb s VAL 43 Ca 0.06 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 3ktb s VAL 43 Cb -0.17 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 3ktb s VAL 43 CO 0.09 -0.25 0.68 0.42 0.00 0.00 0.00 175.10 176.04 3ktb s THR 44 N 1.61 4.60 0.10 3.92 -4.23 -1.20 -4.92 115.64 115.51 3ktb s THR 44 Ca 0.03 1.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.89 3ktb s THR 44 Cb -0.19 -3.90 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 3ktb s THR 44 CO 0.08 0.34 -0.13 0.00 -0.54 0.00 0.00 174.62 174.36 3ktb s ARG 45 N -1.66 0.92 0.15 3.99 1.70 -1.26 -0.88 118.95 121.91 3ktb s ARG 45 Ca 0.38 -1.13 0.09 0.00 -0.47 0.00 0.00 55.73 54.60 3ktb s ARG 45 Cb -0.18 -0.79 -0.04 0.00 -0.57 0.00 0.00 34.95 33.37 3ktb s ARG 45 CO 0.21 0.15 -0.19 -1.01 -1.08 0.00 0.00 175.30 173.38 3ktb s HIS 46 N -1.94 1.85 -0.15 5.89 3.76 0.47 -4.96 115.29 120.21 3ktb s HIS 46 Ca 0.05 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3ktb s HIS 46 Cb -0.06 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.70 3ktb s HIS 46 CO 0.02 0.31 -0.19 1.21 -0.85 0.00 0.00 174.74 175.24 3ktb s ASN 47 N -2.48 2.96 0.48 1.40 3.84 -1.26 -0.32 114.94 119.55 3ktb s ASN 47 Ca 0.14 -0.58 0.18 0.00 0.21 0.00 0.00 52.86 52.81 3ktb s ASN 47 Cb -0.07 -1.37 1.19 0.00 -0.55 0.00 0.00 41.25 40.46 3ktb s ASN 47 CO 0.06 0.01 2.00 0.25 -2.79 0.00 0.00 177.10 176.64 3ktb h LEU 48 N 7.72 0.19 -0.79 3.21 5.85 -1.62 0.13 115.31 130.01 3ktb h LEU 48 Ca -0.39 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 3ktb h LEU 48 Cb 1.16 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3ktb h LEU 48 CO 0.58 0.11 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.39 3ktb h ARG 49 N 0.21 0.57 0.05 1.25 2.43 -1.90 -3.14 114.38 113.85 3ktb h ARG 49 Ca 0.24 -0.25 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 3ktb h ARG 49 Cb 0.67 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 3ktb h ARG 49 CO -0.04 0.81 -2.12 -0.25 -1.51 0.00 0.00 179.97 176.85 3ktb n ASP 50 N -4.08 1.53 -3.25 -3.80 8.00 -0.49 -4.65 116.55 109.81 3ktb n ASP 50 Ca -0.01 0.13 -0.25 0.00 0.71 0.00 0.00 54.79 55.37 3ktb n ASP 50 Cb 0.46 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3ktb n ASP 50 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ktb n GLU 51 N -3.23 2.07 -0.30 -1.24 1.02 0.34 -4.93 120.64 114.38 3ktb n GLU 51 Ca -0.33 -4.23 0.16 0.00 -0.02 0.00 0.00 57.16 52.74 3ktb n GLU 51 Cb 1.05 -1.94 0.41 0.00 -0.02 0.00 0.00 31.44 30.94 3ktb n GLU 51 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ktb h PRO 52 N 3.78 0.59 -0.56 3.49 0.11 -1.76 -2.73 132.00 134.92 3ktb h PRO 52 Ca 0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3ktb h PRO 52 Cb 0.71 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 3ktb h PRO 52 CO 0.71 0.39 0.27 -0.56 -0.21 0.00 0.00 178.00 178.60 3ktb h GLN 53 N 0.61 0.78 0.00 1.05 -0.00 -1.91 -1.17 115.11 114.47 3ktb h GLN 53 Ca 0.52 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.65 59.04 3ktb h GLN 53 Cb 1.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 28.32 3ktb h GLN 53 CO -0.27 0.60 -0.15 -0.24 -0.00 0.00 0.00 178.83 178.77 3ktb h VAL 54 N 0.78 0.48 0.00 1.86 3.04 -1.89 0.22 116.25 120.74 3ktb h VAL 54 Ca 0.20 -0.80 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3ktb h VAL 54 Cb 0.07 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3ktb h VAL 54 CO -0.03 0.15 0.00 -1.22 -1.01 0.00 0.00 177.57 175.46 3ktb n TYR 55 N -3.43 0.47 -0.13 3.17 4.01 -0.45 -1.91 117.16 118.89 3ktb n TYR 55 Ca -0.01 0.16 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 3ktb n TYR 55 Cb 0.33 -0.76 -0.09 0.00 -0.31 0.00 0.00 39.34 38.51 3ktb n TYR 55 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ktb n VAL 56 N -1.91 1.38 0.28 -0.72 0.31 -0.09 -3.58 118.33 114.00 3ktb n VAL 56 Ca 0.04 -0.39 0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3ktb n VAL 56 Cb 0.29 -1.74 0.77 0.00 -0.91 0.00 0.00 33.84 32.24 3ktb n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3ktb h SER 57 N -0.72 0.00 -3.38 4.52 4.64 -0.70 -3.39 113.55 114.53 3ktb h SER 57 Ca -0.62 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.08 3ktb h SER 57 Cb 1.61 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.58 3ktb h SER 57 CO -0.33 0.03 0.46 0.21 -0.87 0.00 0.00 176.83 176.34 3ktb s ASN 58 N -5.69 6.37 0.33 4.97 3.84 -0.80 -4.94 114.94 119.02 3ktb s ASN 58 Ca -0.00 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 52.81 3ktb s ASN 58 Cb 0.10 -2.41 0.59 0.00 -0.55 0.00 0.00 41.25 38.98 3ktb s ASN 58 CO 0.53 -1.09 1.91 0.50 -2.79 0.00 0.00 177.10 176.16 3ktb h LYS 59 N 9.16 0.65 -0.27 0.43 3.64 -1.91 0.13 116.57 128.41 3ktb h LYS 59 Ca -0.26 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3ktb h LYS 59 Cb 1.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3ktb h LYS 59 CO 1.03 0.58 0.15 1.15 -2.27 0.00 0.00 179.45 180.09 3ktb h THR 60 N 0.64 1.12 -0.31 1.00 2.02 -1.92 0.11 112.91 115.56 3ktb h THR 60 Ca 0.15 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 3ktb h THR 60 Cb 0.21 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3ktb h THR 60 CO -0.01 0.12 -0.28 0.58 0.37 0.00 0.00 175.52 176.30 3ktb h VAL 61 N 0.32 1.29 -0.06 3.16 2.07 -1.71 -2.33 116.25 119.01 3ktb h VAL 61 Ca 0.09 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.19 3ktb h VAL 61 Cb 0.05 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3ktb h VAL 61 CO -0.02 0.47 -0.09 -1.13 0.02 0.00 0.00 177.57 176.82 3ktb h ASN 62 N 0.51 -0.28 -0.31 0.57 -0.73 -0.58 0.56 115.58 115.32 3ktb h ASN 62 Ca 0.05 0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.20 3ktb h ASN 62 Cb 0.85 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 3ktb h ASN 62 CO 0.07 -0.13 -0.04 0.44 -0.37 0.00 0.00 177.43 177.40 3ktb h ASP 63 N -0.14 0.65 -0.51 1.15 3.32 -0.78 -0.27 116.42 119.85 3ktb h ASP 63 Ca 0.06 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 3ktb h ASP 63 Cb 0.21 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3ktb h ASP 63 CO -0.14 0.75 0.00 0.15 -1.72 0.00 0.00 179.24 178.29 3ktb h PHE 64 N 0.63 0.98 -0.30 4.55 3.57 -1.01 -2.61 116.94 122.76 3ktb h PHE 64 Ca 0.12 -0.17 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 3ktb h PHE 64 Cb 0.45 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3ktb h PHE 64 CO 0.02 0.91 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.72 3ktb h LEU 65 N 0.77 0.56 -1.05 0.59 3.38 -0.43 0.02 115.31 119.16 3ktb h LEU 65 Ca 0.15 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3ktb h LEU 65 Cb 0.52 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3ktb h LEU 65 CO 0.03 0.78 0.64 1.56 0.09 0.00 0.00 178.44 181.54 3ktb h GLN 66 N 0.50 1.17 0.17 1.13 1.08 -0.86 0.21 115.11 118.52 3ktb h GLN 66 Ca 0.08 -0.07 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 3ktb h GLN 66 Cb 0.65 -0.26 0.02 0.00 -0.05 0.00 0.00 27.48 27.83 3ktb h GLN 66 CO 0.05 0.78 -1.37 0.87 -0.95 0.00 0.00 178.83 178.20 3ktb h LYS 67 N 1.21 0.37 0.00 1.46 1.57 -1.07 -3.41 116.57 116.70 3ktb h LYS 67 Ca 0.40 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3ktb h LYS 67 Cb 0.05 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3ktb h LYS 67 CO -0.13 1.29 -0.63 0.72 -0.57 0.00 0.00 179.45 180.13 3ktb n HIS 68 N -3.59 0.00 0.00 -1.35 8.25 -0.05 -5.12 115.22 113.36 3ktb n HIS 68 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3ktb n HIS 68 Cb 1.06 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 32.13 3ktb n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ktb n GLY 69 N 1.64 -1.13 0.29 -1.41 0.00 0.72 -4.02 105.19 101.28 3ktb n GLY 69 Ca 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.57 3ktb n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktb h ALA 70 N 0.00 1.19 0.00 4.61 0.00 -1.96 -0.05 119.26 123.05 3ktb h ALA 70 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ktb h ALA 70 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ktb h ALA 70 CO 0.00 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 3ktb n ASP 71 N -3.41 0.33 0.15 0.00 8.00 -1.26 -1.19 116.55 119.16 3ktb n ASP 71 Ca -0.02 0.62 0.13 0.00 0.71 0.00 0.00 54.79 56.23 3ktb n ASP 71 Cb 0.17 -0.67 0.35 0.00 -0.02 0.00 0.00 41.12 40.95 3ktb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ktb h ALA 72 N 2.16 1.00 -2.66 2.24 0.00 -1.13 -3.45 119.26 117.42 3ktb h ALA 72 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3ktb h ALA 72 Cb 0.13 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.02 3ktb h ALA 72 CO 0.00 0.00 0.43 -0.51 0.00 0.00 0.00 179.25 179.17 3ktb s LEU 73 N -5.14 3.61 0.47 0.00 1.43 -0.33 -0.77 118.68 117.95 3ktb s LEU 73 Ca 0.09 2.23 -0.21 0.00 -1.03 0.00 0.00 54.13 55.20 3ktb s LEU 73 Cb 0.10 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.66 3ktb s LEU 73 CO 0.60 -1.51 1.08 -2.16 0.23 0.00 0.00 176.35 174.59 3ktb s PRO 74 N -3.51 3.78 -0.14 1.29 0.04 -1.26 -4.25 135.00 130.95 3ktb s PRO 74 Ca 0.73 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 3ktb s PRO 74 Cb -0.26 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 3ktb s PRO 74 CO 0.33 -0.48 -0.13 0.42 0.04 0.00 0.00 177.00 177.19 3ktb s ILE 75 N -1.78 3.03 -0.19 0.56 1.01 -0.16 -1.29 121.20 122.37 3ktb s ILE 75 Ca 0.66 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 3ktb s ILE 75 Cb -0.21 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3ktb s ILE 75 CO 0.26 0.52 -0.02 -0.89 0.00 0.00 0.00 174.94 174.81 3ktb s THR 76 N 0.49 3.84 -0.05 2.92 2.01 -0.15 -0.30 115.64 124.39 3ktb s THR 76 Ca -0.09 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 3ktb s THR 76 Cb -0.16 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 3ktb s THR 76 CO 0.04 0.44 0.29 -0.76 -0.69 0.00 0.00 174.62 173.95 3ktb s LEU 77 N 0.89 4.43 -0.14 4.42 1.43 0.52 -0.54 118.68 129.70 3ktb s LEU 77 Ca 0.00 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 3ktb s LEU 77 Cb -0.14 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.73 3ktb s LEU 77 CO 0.02 0.35 -0.14 -0.69 0.23 0.00 0.00 176.35 176.12 3ktb s VAL 78 N -1.01 1.55 -1.63 -1.59 1.01 0.16 -1.07 120.40 117.81 3ktb s VAL 78 Ca 0.20 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3ktb s VAL 78 Cb -0.15 -1.45 0.16 0.00 0.00 0.00 0.00 36.38 34.94 3ktb s VAL 78 CO 0.09 0.45 0.72 0.47 0.00 0.00 0.00 175.10 176.83 3ktb n ASP 79 N 4.67 -3.17 0.00 3.32 8.00 0.81 -1.37 116.55 128.82 3ktb n ASP 79 Ca -0.17 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3ktb n ASP 79 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 3ktb n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktb n GLY 80 N -1.29 1.33 3.86 0.44 0.00 -1.26 -5.02 105.19 103.24 3ktb n GLY 80 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3ktb n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ktb s GLU 81 N -0.14 3.58 0.16 1.61 2.56 -0.47 -4.93 118.70 121.07 3ktb s GLU 81 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 54.97 54.56 3ktb s GLU 81 Cb 0.00 -3.22 -0.13 0.00 2.00 0.00 0.00 34.13 32.78 3ktb s GLU 81 CO 0.00 0.71 1.66 -0.89 -0.56 0.00 0.00 175.26 176.18 3ktb n ILE 82 N 2.16 0.06 0.00 -3.70 2.08 -1.26 -0.67 119.36 118.03 3ktb n ILE 82 Ca -0.19 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.11 3ktb n ILE 82 Cb 0.54 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 3ktb n ILE 82 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ktb n ALA 83 N 3.93 1.77 -3.13 -1.39 0.00 0.30 -4.84 120.51 117.15 3ktb n ALA 83 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 3ktb n ALA 83 Cb 0.31 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 3ktb n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ktb s VAL 84 N -1.77 0.04 0.00 0.00 1.01 -1.11 -4.99 120.40 113.58 3ktb s VAL 84 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3ktb s VAL 84 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 3ktb s VAL 84 CO 0.00 -0.20 -0.00 -0.55 0.00 0.00 0.00 175.10 174.35 3ktb s SER 85 N -0.73 0.03 0.00 3.32 0.15 -1.26 -0.98 113.70 114.23 3ktb s SER 85 Ca -0.08 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3ktb s SER 85 Cb -0.05 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 3ktb s SER 85 CO 0.01 -0.04 0.00 1.67 1.20 0.00 0.00 173.24 176.09 3ktb n GLN 86 N 2.90 0.00 -4.47 5.44 7.27 0.05 -4.92 117.38 123.65 3ktb n GLN 86 Ca -0.13 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.70 3ktb n GLN 86 Cb 0.59 -0.20 -0.10 0.00 2.41 0.00 0.00 30.24 32.94 3ktb n GLN 86 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 3ktb s THR 87 N 0.00 2.22 0.41 1.69 -4.23 -1.26 -4.37 115.64 110.11 3ktb s THR 87 Ca 0.00 -2.29 -0.23 0.00 -1.18 0.00 0.00 61.69 57.99 3ktb s THR 87 Cb 0.00 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.35 3ktb s THR 87 CO 0.00 -0.35 1.00 -0.31 -0.54 0.00 0.00 174.62 174.41 3ktb s TYR 88 N -2.65 3.30 0.50 3.99 2.02 -1.26 -4.78 117.35 118.46 3ktb s TYR 88 Ca 0.30 1.64 -0.22 0.00 -0.37 0.00 0.00 57.07 58.42 3ktb s TYR 88 Cb -0.01 -2.99 -0.08 0.00 -0.40 0.00 0.00 41.96 38.48 3ktb s TYR 88 CO 0.14 -0.35 1.02 -2.30 -1.57 0.00 0.00 175.55 172.50 3ktb n PRO 89 N -0.33 1.24 -2.10 -1.71 -0.02 -1.26 -4.95 135.00 125.86 3ktb n PRO 89 Ca 0.06 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 3ktb n PRO 89 Cb 0.52 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3ktb n PRO 89 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ktb s THR 90 N -1.38 2.99 0.45 3.45 -4.23 -1.26 -4.91 115.64 110.75 3ktb s THR 90 Ca 0.68 0.59 0.15 0.00 -1.18 0.00 0.00 61.69 61.94 3ktb s THR 90 Cb -0.48 -3.21 0.33 0.00 1.34 0.00 0.00 72.50 70.47 3ktb s THR 90 CO 0.53 -0.15 2.00 0.74 -0.54 0.00 0.00 174.62 177.19 3ktb h THR 91 N 0.93 0.89 -0.68 3.99 2.02 -1.96 0.13 112.91 118.23 3ktb h THR 91 Ca -0.50 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3ktb h THR 91 Cb 1.27 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3ktb h THR 91 CO 0.56 0.06 0.39 0.50 0.37 0.00 0.00 175.52 177.39 3ktb h LYS 92 N 0.32 0.94 -1.29 6.66 3.64 -1.93 0.49 116.57 125.40 3ktb h LYS 92 Ca 0.24 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ktb h LYS 92 Cb 0.54 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3ktb h LYS 92 CO -0.06 0.69 0.00 1.04 -2.27 0.00 0.00 179.45 178.85 3ktb n GLN 93 N -4.53 0.16 0.00 1.90 6.02 0.03 -1.79 117.38 119.17 3ktb n GLN 93 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3ktb n GLN 93 Cb 0.08 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3ktb n GLN 93 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ktb n SER 95 N 0.76 0.00 -0.10 1.08 7.64 0.16 -0.86 113.62 122.30 3ktb n SER 95 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3ktb n SER 95 Cb 0.07 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 3ktb n SER 95 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3ktb h GLU 96 N 0.00 0.53 -0.50 1.43 5.08 -1.60 0.74 114.58 120.27 3ktb h GLU 96 Ca 0.00 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 3ktb h GLU 96 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ktb h GLU 96 CO 0.00 0.66 -0.01 -1.49 -1.00 0.00 0.00 179.01 177.17 3ktb h TRP 97 N 0.34 0.89 0.00 4.33 6.55 -1.27 -3.18 115.95 123.61 3ktb h TRP 97 Ca 0.09 -0.13 0.00 0.00 0.95 0.00 0.00 58.89 59.80 3ktb h TRP 97 Cb 0.42 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.47 3ktb h TRP 97 CO 0.03 0.82 -1.24 0.25 -1.05 0.00 0.00 178.44 177.26 3ktb n THR 98 N -4.20 0.11 -1.11 1.49 -2.24 -1.18 -1.13 114.28 106.02 3ktb n THR 98 Ca 0.02 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 3ktb n THR 98 Cb 0.31 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 3ktb n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktb n GLY 99 N 1.37 0.61 3.89 3.38 0.00 0.24 -4.91 105.19 109.76 3ktb n GLY 99 Ca 0.01 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 3ktb n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktb s VAL 100 N -1.90 5.06 -0.94 1.61 1.01 -1.12 -5.03 120.40 119.08 3ktb s VAL 100 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3ktb s VAL 100 Cb 0.00 -3.55 0.24 0.00 0.00 0.00 0.00 36.38 33.07 3ktb s VAL 100 CO 0.00 -0.01 0.88 0.20 0.00 0.00 0.00 175.10 176.17 3ktb s ASN 101 N -2.93 6.67 0.26 3.32 0.01 -1.26 -4.34 114.94 116.68 3ktb s ASN 101 Ca 0.33 -3.31 -0.29 0.00 -0.71 0.00 0.00 52.86 48.88 3ktb s ASN 101 Cb -0.11 -2.11 -0.09 0.00 0.41 0.00 0.00 41.25 39.34 3ktb s ASN 101 CO 0.26 -0.35 1.00 -0.76 -1.51 0.00 0.00 177.10 175.74 3ktb s LEU 102 N -0.78 4.58 0.00 0.60 1.43 -1.26 -5.14 118.68 118.11 3ktb s LEU 102 Ca 0.25 2.05 0.14 0.00 -1.03 0.00 0.00 54.13 55.55 3ktb s LEU 102 Cb -0.10 -3.67 0.86 0.00 0.03 0.00 0.00 46.19 43.31 3ktb s LEU 102 CO -0.09 0.02 1.28 0.47 0.23 0.00 0.00 176.35 178.26