#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktb s ASN -1 N 0.00 4.62 0.00 6.43 0.02 -1.26 -5.25 114.94 119.50 3ktb s ASN -1 Ca 0.00 -0.58 0.00 0.00 -1.02 0.00 0.00 52.86 51.26 3ktb s ASN -1 Cb 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 41.25 40.37 3ktb s ASN -1 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.10 177.14 3ktb n ALA 0 N -0.74 0.00 -3.24 0.60 0.00 -1.26 -4.93 120.51 110.94 3ktb n ALA 0 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 3ktb n ALA 0 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 3ktb n ALA 0 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ktb s LYS 2 N 0.00 0.60 0.12 0.00 1.02 -0.38 -4.95 119.74 116.15 3ktb s LYS 2 Ca 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.71 3ktb s LYS 2 Cb 0.00 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.52 3ktb s LYS 2 CO 0.00 -0.15 1.09 0.21 -0.92 0.00 0.00 175.35 175.58 3ktb s LYS 3 N -0.87 4.57 -0.11 1.68 2.20 -1.26 -4.83 119.74 121.12 3ktb s LYS 3 Ca -0.09 1.65 0.03 0.00 -0.36 0.00 0.00 55.97 57.20 3ktb s LYS 3 Cb -0.04 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3ktb s LYS 3 CO 0.03 0.01 -0.22 0.42 -0.36 0.00 0.00 175.35 175.24 3ktb s ILE 4 N 0.22 1.92 -0.06 5.43 1.01 -1.26 -0.23 121.20 128.24 3ktb s ILE 4 Ca 0.51 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3ktb s ILE 4 Cb -0.28 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.53 3ktb s ILE 4 CO 0.32 0.53 -0.06 -0.70 0.00 0.00 0.00 174.94 175.02 3ktb s GLU 5 N 0.57 1.08 -0.14 2.79 2.12 -0.58 -3.03 118.70 121.51 3ktb s GLU 5 Ca -0.14 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.02 3ktb s GLU 5 Cb -0.17 -1.04 -0.01 0.00 0.26 0.00 0.00 34.13 33.17 3ktb s GLU 5 CO 0.04 -0.08 -0.16 0.42 -0.54 0.00 0.00 175.26 174.95 3ktb s ILE 6 N 0.98 2.72 -0.48 -3.70 1.01 0.10 -0.17 121.20 121.66 3ktb s ILE 6 Ca -0.10 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 3ktb s ILE 6 Cb -0.14 -2.13 0.10 0.00 0.01 0.00 0.00 42.46 40.29 3ktb s ILE 6 CO 0.00 0.52 0.38 -0.36 0.00 0.00 0.00 174.94 175.48 3ktb s PHE 7 N 0.62 3.31 0.79 3.97 0.08 0.14 -0.33 117.98 126.57 3ktb s PHE 7 Ca -0.09 -1.41 -0.11 0.00 0.12 0.00 0.00 56.93 55.44 3ktb s PHE 7 Cb -0.16 -3.38 0.07 0.00 -0.57 0.00 0.00 43.02 38.97 3ktb s PHE 7 CO 0.03 -0.92 1.09 -0.51 -0.10 0.00 0.00 175.22 174.80 3ktb s ASP 8 N 2.79 4.44 1.38 1.36 1.01 0.24 -1.66 116.67 126.23 3ktb s ASP 8 Ca 0.04 1.59 -0.21 0.00 0.71 0.00 0.00 52.55 54.68 3ktb s ASP 8 Cb -0.26 -2.33 0.35 0.00 1.01 0.00 0.00 42.92 41.70 3ktb s ASP 8 CO 0.03 -2.04 0.95 -2.84 0.21 0.00 0.00 175.17 171.47 3ktb s PRO 9 N -5.00 -2.59 0.65 8.23 0.02 -1.26 -3.56 135.00 131.50 3ktb s PRO 9 Ca 0.61 0.27 -0.15 0.00 0.02 0.00 0.00 61.00 61.75 3ktb s PRO 9 Cb -0.16 -1.41 -0.00 0.00 0.02 0.00 0.00 34.50 32.95 3ktb s PRO 9 CO 0.56 -4.68 1.11 0.00 -0.33 0.00 0.00 177.00 173.65 3ktb s ALA 10 N -2.31 2.50 -0.47 -1.55 0.00 -1.26 -3.20 121.76 115.48 3ktb s ALA 10 Ca 0.69 0.53 0.12 0.00 0.00 0.00 0.00 51.96 53.30 3ktb s ALA 10 Cb -0.16 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 3ktb s ALA 10 CO 0.59 -1.22 0.46 0.00 0.00 0.00 0.00 175.76 175.59 3ktb h PRO 14 N 2.77 0.00 -0.00 0.00 0.11 -2.00 -1.75 132.00 131.13 3ktb h PRO 14 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ktb h PRO 14 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ktb h PRO 14 CO 0.48 0.00 -0.83 0.25 -0.21 0.00 0.00 178.00 177.69 3ktb n THR 15 N -3.97 0.00 -0.83 -1.15 -2.24 -1.26 -4.92 114.28 99.91 3ktb n THR 15 Ca 0.03 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ktb n THR 15 Cb 0.37 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.43 0.56 2.36 3.38 0.00 -0.66 -4.90 105.19 107.36 3ktb n GLY 16 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 6.40 -4.22 0.99 4.77 -1.26 -4.84 117.00 118.85 3ktb n LEU 17 Ca 0.00 -3.89 -0.24 0.00 -0.03 0.00 0.00 56.01 51.85 3ktb n LEU 17 Cb 0.03 -1.21 -0.14 0.00 -2.33 0.00 0.00 43.42 39.77 3ktb n LEU 17 CO 0.00 1.65 -0.50 0.00 -1.33 0.00 0.00 177.39 177.20 3ktb n GLY 19 N 1.84 0.98 1.00 0.00 0.00 -1.26 -4.80 105.19 102.96 3ktb n GLY 19 Ca -0.17 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3ktb n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ktb n THR 20 N 0.00 0.00 -0.07 2.61 -2.24 -1.26 -4.86 114.28 108.45 3ktb n THR 20 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3ktb n THR 20 Cb 0.00 -1.47 -0.08 0.00 -2.10 0.00 0.00 70.33 66.68 3ktb n THR 20 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3ktb h ASN 21 N 0.00 -1.54 -2.96 3.42 -1.24 -1.98 -3.46 115.58 107.82 3ktb h ASN 21 Ca 0.00 0.19 -0.14 0.00 0.71 0.00 0.00 56.30 57.06 3ktb h ASN 21 Cb 0.98 0.62 0.05 0.00 0.73 0.00 0.00 38.32 40.71 3ktb h ASN 21 CO 0.00 -0.37 -0.26 -0.38 -1.29 0.00 0.00 177.43 175.13 3ktb n ILE 22 N -4.98 -1.44 -1.55 2.57 2.08 -1.26 -4.93 119.36 109.85 3ktb n ILE 22 Ca -0.04 -0.06 -0.57 0.00 0.56 0.00 0.00 62.75 62.65 3ktb n ILE 22 Cb 0.30 -2.72 -0.08 0.00 -0.75 0.00 0.00 39.64 36.39 3ktb n ILE 22 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3ktb n ASN 23 N -0.66 1.91 0.31 4.38 2.85 -1.26 -4.84 115.26 117.96 3ktb n ASN 23 Ca -0.03 0.82 0.18 0.00 -0.11 0.00 0.00 54.58 55.44 3ktb n ASN 23 Cb 0.53 -1.11 1.02 0.00 1.24 0.00 0.00 39.78 41.46 3ktb n ASN 23 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ktb h PRO 24 N 8.85 0.00 -0.41 1.20 0.11 -2.01 -0.95 132.00 138.79 3ktb h PRO 24 Ca -0.34 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.79 3ktb h PRO 24 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 3ktb h PRO 24 CO 1.00 0.00 0.23 0.93 -0.21 0.00 0.00 178.00 179.95 3ktb h GLU 25 N 0.00 0.45 -1.02 1.05 4.39 -2.03 0.98 114.58 118.39 3ktb h GLU 25 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ktb h GLU 25 Cb 0.04 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3ktb h GLU 25 CO -0.00 0.30 0.00 1.28 -1.16 0.00 0.00 179.01 179.43 3ktb n LEU 26 N -4.88 0.00 0.00 1.33 4.77 -0.36 -1.02 117.00 116.84 3ktb n LEU 26 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ktb n LEU 26 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ktb n LEU 26 CO 0.32 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.24 3ktb n ARG 28 N 0.72 0.00 -0.08 3.23 0.63 0.34 -1.47 116.66 120.03 3ktb n ARG 28 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3ktb n ARG 28 Cb 0.00 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.05 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 1.26 -0.71 5.15 6.09 -1.34 -1.49 117.51 126.47 3ktb h ILE 29 Ca 0.00 -1.18 -0.03 0.00 -1.37 0.00 0.00 64.86 62.28 3ktb h ILE 29 Cb 0.00 1.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.34 3ktb h ILE 29 CO 0.00 0.40 0.33 0.00 -3.07 0.00 0.00 178.15 175.81 3ktb h ALA 30 N 1.19 1.25 -0.40 0.18 0.00 -1.49 0.22 119.26 120.20 3ktb h ALA 30 Ca 0.11 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3ktb h ALA 30 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ktb h ALA 30 CO 0.04 0.57 -0.07 0.28 0.00 0.00 0.00 179.25 180.07 3ktb h VAL 31 N 1.00 1.27 -0.18 0.00 2.07 -1.70 -1.86 116.25 116.86 3ktb h VAL 31 Ca 0.24 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3ktb h VAL 31 Cb 0.12 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ktb h VAL 31 CO -0.03 0.39 0.07 0.58 0.02 0.00 0.00 177.57 178.60 3ktb h VAL 32 N 0.57 0.98 -0.90 2.57 2.07 -0.97 -0.97 116.25 119.59 3ktb h VAL 32 Ca 0.10 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3ktb h VAL 32 Cb 0.59 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3ktb h VAL 32 CO 0.04 0.03 0.60 0.40 0.02 0.00 0.00 177.57 178.65 3ktb h ILE 33 N 0.17 1.18 -0.23 4.57 2.04 -0.80 -1.08 117.51 123.36 3ktb h ILE 33 Ca 0.07 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.35 3ktb h ILE 33 Cb 0.03 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.02 3ktb h ILE 33 CO -0.07 0.21 -0.59 -0.08 0.00 0.00 0.00 178.15 177.63 3ktb h GLU 34 N 1.17 0.75 -0.83 2.37 4.57 -1.11 -1.24 114.58 120.25 3ktb h GLU 34 Ca 0.35 -0.50 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 3ktb h GLU 34 Cb -0.04 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3ktb h GLU 34 CO -0.09 1.12 0.39 0.77 -1.18 0.00 0.00 179.01 180.02 3ktb h SER 35 N 0.57 1.09 -0.51 1.04 0.02 -0.34 -1.53 113.55 113.88 3ktb h SER 35 Ca 0.00 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 3ktb h SER 35 Cb 1.18 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 3ktb h SER 35 CO 0.12 0.92 0.11 -0.07 -1.14 0.00 0.00 176.83 176.78 3ktb h LEU 36 N 1.19 0.78 -0.47 5.07 3.38 -1.08 -3.08 115.31 121.10 3ktb h LEU 36 Ca 0.29 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3ktb h LEU 36 Cb 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3ktb h LEU 36 CO -0.03 0.82 0.17 0.50 0.09 0.00 0.00 178.44 179.99 3ktb h LYS 37 N 0.71 0.34 -0.18 1.13 3.64 -0.75 0.18 116.57 121.64 3ktb h LYS 37 Ca 0.16 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3ktb h LYS 37 Cb 0.35 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3ktb h LYS 37 CO 0.00 0.23 0.23 0.87 -2.27 0.00 0.00 179.45 178.51 3ktb h LYS 38 N 0.35 0.00 -0.54 1.90 1.57 -1.21 0.22 116.57 118.86 3ktb h LYS 38 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ktb h LYS 38 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3ktb h LYS 38 CO -0.22 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.70 3ktb n GLN 39 N -3.62 3.73 -1.00 3.15 6.02 0.48 -4.93 117.38 121.21 3ktb n GLN 39 Ca 0.02 -2.85 -0.00 0.00 -0.01 0.00 0.00 57.00 54.15 3ktb n GLN 39 Cb 0.35 -1.89 -0.00 0.00 1.02 0.00 0.00 30.24 29.72 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 0.68 0.47 3.47 1.08 0.00 0.76 -5.01 105.19 106.64 3ktb n GLY 40 Ca 0.24 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.98 4.43 -0.33 -0.61 1.01 -0.32 -4.98 121.20 118.42 3ktb s ILE 41 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 3ktb s ILE 41 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3ktb s ILE 41 CO 0.00 0.33 0.20 -0.63 0.00 0.00 0.00 174.94 174.85 3ktb s ILE 42 N 1.58 5.01 -0.45 2.92 -1.09 -1.26 -2.42 121.20 125.49 3ktb s ILE 42 Ca 0.06 -0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 58.02 3ktb s ILE 42 Cb -0.15 -3.57 0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3ktb s ILE 42 CO 0.04 0.02 0.44 -0.69 -1.23 0.00 0.00 174.94 173.52 3ktb s VAL 43 N 1.68 5.12 0.11 2.92 1.01 -1.26 -4.71 120.40 125.27 3ktb s VAL 43 Ca 0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3ktb s VAL 43 Cb -0.17 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 3ktb s VAL 43 CO 0.09 -0.52 1.15 -0.89 0.00 0.00 0.00 175.10 174.93 3ktb s THR 44 N 2.00 3.97 0.07 3.92 2.01 -1.17 -4.91 115.64 121.53 3ktb s THR 44 Ca 0.09 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.70 3ktb s THR 44 Cb -0.20 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3ktb s THR 44 CO 0.11 0.19 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.91 3ktb s ARG 45 N 0.38 1.96 0.07 4.92 0.52 -1.26 -0.72 118.95 124.82 3ktb s ARG 45 Ca 0.54 -1.05 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 3ktb s ARG 45 Cb -0.29 -2.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 3ktb s ARG 45 CO 0.32 0.52 -0.20 -1.01 0.02 0.00 0.00 175.30 174.94 3ktb s HIS 46 N -1.00 1.77 -0.20 -0.53 3.76 0.55 -4.96 115.29 114.69 3ktb s HIS 46 Ca 0.16 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 3ktb s HIS 46 Cb -0.10 -1.02 -0.00 0.00 1.11 0.00 0.00 32.58 32.56 3ktb s HIS 46 CO 0.07 0.13 -0.08 1.21 -0.85 0.00 0.00 174.74 175.22 3ktb s ASN 47 N -1.45 4.07 0.27 1.40 2.47 -1.26 0.79 114.94 121.22 3ktb s ASN 47 Ca 0.07 -0.42 0.00 0.00 0.42 0.00 0.00 52.86 52.93 3ktb s ASN 47 Cb -0.09 -1.68 0.56 0.00 -1.45 0.00 0.00 41.25 38.59 3ktb s ASN 47 CO 0.03 0.01 1.77 0.25 -3.72 0.00 0.00 177.10 175.43 3ktb h LEU 48 N 7.88 0.58 -1.69 3.21 5.85 -1.60 0.14 115.31 129.69 3ktb h LEU 48 Ca -0.40 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3ktb h LEU 48 Cb 1.16 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3ktb h LEU 48 CO 0.60 0.24 0.24 -0.09 -0.34 0.00 0.00 178.44 179.10 3ktb h ARG 49 N 0.66 0.40 0.05 1.25 2.43 -1.89 -3.11 114.38 114.16 3ktb h ARG 49 Ca 0.48 -0.02 -0.38 0.00 -0.81 0.00 0.00 59.98 59.25 3ktb h ARG 49 Cb 0.68 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3ktb h ARG 49 CO -0.36 0.27 -2.30 -0.25 -1.51 0.00 0.00 179.97 175.82 3ktb n ASP 50 N -4.48 2.01 -3.44 -3.80 10.43 0.02 -4.68 116.55 112.61 3ktb n ASP 50 Ca 0.03 -0.01 -0.26 0.00 2.57 0.00 0.00 54.79 57.12 3ktb n ASP 50 Cb 0.13 -0.56 -0.08 0.00 1.84 0.00 0.00 41.12 42.44 3ktb n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3ktb n GLU 51 N -3.34 1.94 0.12 -1.24 1.02 0.28 -4.92 120.64 114.51 3ktb n GLU 51 Ca -0.40 -4.27 0.02 0.00 -0.02 0.00 0.00 57.16 52.48 3ktb n GLU 51 Cb 1.01 -2.01 0.36 0.00 -0.02 0.00 0.00 31.44 30.78 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 4.37 0.21 0.00 3.49 0.11 -1.76 -3.03 132.00 135.39 3ktb h PRO 52 Ca 0.17 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3ktb h PRO 52 Cb 0.73 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3ktb h PRO 52 CO 0.72 0.41 -0.20 0.37 -0.21 0.00 0.00 178.00 179.10 3ktb h GLN 53 N 0.19 0.00 0.00 1.05 4.15 -1.91 -2.15 115.11 116.45 3ktb h GLN 53 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 3ktb h GLN 53 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3ktb h GLN 53 CO 0.03 0.20 -0.45 -0.24 -1.93 0.00 0.00 178.83 176.44 3ktb h VAL 54 N 0.00 1.06 0.00 2.39 3.04 -1.96 -0.12 116.25 120.67 3ktb h VAL 54 Ca -0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 3ktb h VAL 54 Cb 0.56 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 3ktb h VAL 54 CO 0.03 0.44 0.00 -1.22 -1.01 0.00 0.00 177.57 175.81 3ktb n TYR 55 N -3.62 0.68 -0.08 3.17 4.01 -0.81 -2.08 117.16 118.43 3ktb n TYR 55 Ca -0.00 0.24 -0.07 0.00 -0.16 0.00 0.00 57.90 57.90 3ktb n TYR 55 Cb 0.54 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.66 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 -2.09 1.46 -0.22 -0.72 0.31 -0.97 -3.52 118.33 112.58 3ktb n VAL 56 Ca 0.04 0.17 0.20 0.00 -0.01 0.00 0.00 64.34 64.74 3ktb n VAL 56 Cb 0.30 -2.36 0.55 0.00 -0.91 0.00 0.00 33.84 31.42 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 -1.00 0.34 -3.02 4.52 4.64 -1.07 -3.35 113.55 114.61 3ktb h SER 57 Ca -0.01 0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.79 3ktb h SER 57 Cb 0.78 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.76 3ktb h SER 57 CO -0.01 0.14 0.96 0.21 -0.87 0.00 0.00 176.83 177.26 3ktb s ASN 58 N -5.68 6.38 0.28 4.97 3.84 -0.89 -4.90 114.94 118.95 3ktb s ASN 58 Ca -0.08 -0.05 -0.01 0.00 0.21 0.00 0.00 52.86 52.93 3ktb s ASN 58 Cb 0.22 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.78 3ktb s ASN 58 CO 0.78 -1.54 1.84 0.11 -2.79 0.00 0.00 177.10 175.50 3ktb h LYS 59 N 9.63 0.84 -0.22 0.43 1.79 -1.90 -1.05 116.57 126.09 3ktb h LYS 59 Ca -0.26 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.02 3ktb h LYS 59 Cb 1.06 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 3ktb h LYS 59 CO 1.20 0.74 0.03 1.15 -1.08 0.00 0.00 179.45 181.49 3ktb h THR 60 N 0.82 1.23 -0.30 -0.16 2.02 -1.91 -1.53 112.91 113.09 3ktb h THR 60 Ca 0.18 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 3ktb h THR 60 Cb 0.26 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3ktb h THR 60 CO -0.01 0.25 0.12 0.58 0.37 0.00 0.00 175.52 176.83 3ktb h VAL 61 N 0.17 1.18 0.09 3.16 2.07 -1.82 -2.59 116.25 118.50 3ktb h VAL 61 Ca 0.07 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3ktb h VAL 61 Cb 0.34 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3ktb h VAL 61 CO 0.01 0.19 -0.23 -1.13 0.02 0.00 0.00 177.57 176.43 3ktb h ASN 62 N 0.34 -0.65 -0.96 0.57 -0.73 -1.04 -2.14 115.58 110.97 3ktb h ASN 62 Ca 0.10 0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.37 3ktb h ASN 62 Cb 0.18 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.97 3ktb h ASN 62 CO -0.01 -0.31 0.63 0.44 -0.37 0.00 0.00 177.43 177.81 3ktb h ASP 63 N -0.41 1.07 -0.64 1.15 3.32 -1.25 -0.87 116.42 118.79 3ktb h ASP 63 Ca 0.04 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3ktb h ASP 63 Cb 0.44 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3ktb h ASP 63 CO -0.15 0.75 0.22 0.15 -1.72 0.00 0.00 179.24 178.49 3ktb h PHE 64 N 1.25 1.03 -0.32 4.55 3.57 -1.23 -1.96 116.94 123.84 3ktb h PHE 64 Ca 0.37 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 3ktb h PHE 64 Cb -0.06 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 3ktb h PHE 64 CO -0.01 0.82 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.61 3ktb h LEU 65 N 0.97 0.61 -0.35 0.59 3.38 -0.65 -1.92 115.31 117.95 3ktb h LEU 65 Ca 0.22 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ktb h LEU 65 Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3ktb h LEU 65 CO -0.01 0.82 0.13 1.56 0.09 0.00 0.00 178.44 181.03 3ktb h GLN 66 N 0.54 0.27 -0.54 1.13 1.08 -0.48 -0.30 115.11 116.81 3ktb h GLN 66 Ca 0.08 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3ktb h GLN 66 Cb 0.66 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3ktb h GLN 66 CO 0.05 0.18 0.00 1.63 -0.95 0.00 0.00 178.83 179.74 3ktb n LYS 67 N -5.01 2.42 0.00 1.46 5.02 -0.82 -4.25 118.16 116.99 3ktb n LYS 67 Ca 0.01 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 3ktb n LYS 67 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3ktb n LYS 67 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ktb n HIS 68 N 0.91 0.00 -0.20 2.13 8.25 -0.77 -5.05 115.22 120.49 3ktb n HIS 68 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3ktb n HIS 68 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.00 -3.42 0.13 -1.41 0.00 -0.12 -4.58 105.19 95.78 3ktb n GLY 69 Ca 0.00 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.23 3ktb n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktb n ALA 70 N 0.29 3.24 1.20 4.61 0.00 -1.26 -3.19 120.51 125.39 3ktb n ALA 70 Ca 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.17 3ktb n ALA 70 Cb 0.00 -1.15 0.57 0.00 0.00 0.00 0.00 19.45 18.88 3ktb n ALA 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ktb n ASP 71 N -1.05 0.00 0.04 0.00 8.00 -1.26 -2.06 116.55 120.22 3ktb n ASP 71 Ca 0.09 -0.54 0.12 0.00 0.71 0.00 0.00 54.79 55.17 3ktb n ASP 71 Cb 0.34 -0.03 0.31 0.00 -0.02 0.00 0.00 41.12 41.71 3ktb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ktb n ALA 72 N -1.03 2.86 -1.76 2.24 0.00 -1.19 -4.66 120.51 116.97 3ktb n ALA 72 Ca 0.14 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 3ktb n ALA 72 Cb 0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3ktb n ALA 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ktb s LEU 73 N -3.78 4.51 0.27 0.00 1.43 -0.88 -1.00 118.68 119.23 3ktb s LEU 73 Ca 0.09 2.29 -0.22 0.00 -1.03 0.00 0.00 54.13 55.26 3ktb s LEU 73 Cb 0.15 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 3ktb s LEU 73 CO 0.66 -0.20 0.82 -2.16 0.23 0.00 0.00 176.35 175.70 3ktb s PRO 74 N -1.55 4.37 -0.14 1.29 0.04 -1.26 -4.42 135.00 133.32 3ktb s PRO 74 Ca 0.46 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 3ktb s PRO 74 Cb -0.32 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3ktb s PRO 74 CO 0.41 0.32 -0.02 0.42 0.04 0.00 0.00 177.00 178.17 3ktb s ILE 75 N -1.61 4.06 -0.19 0.56 1.01 -0.66 -2.76 121.20 121.61 3ktb s ILE 75 Ca 0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 3ktb s ILE 75 Cb -0.17 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 3ktb s ILE 75 CO 0.21 0.51 -0.06 -0.89 0.00 0.00 0.00 174.94 174.72 3ktb s THR 76 N 0.08 3.44 -0.12 2.92 2.01 -0.44 0.27 115.64 123.80 3ktb s THR 76 Ca 0.01 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 3ktb s THR 76 Cb -0.13 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3ktb s THR 76 CO 0.02 0.46 0.21 -0.76 -0.69 0.00 0.00 174.62 173.86 3ktb s LEU 77 N 0.99 4.36 -0.18 4.42 1.43 0.76 -0.85 118.68 129.60 3ktb s LEU 77 Ca -0.00 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3ktb s LEU 77 Cb -0.15 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.89 3ktb s LEU 77 CO 0.00 0.31 -0.17 -0.69 0.23 0.00 0.00 176.35 176.04 3ktb s VAL 78 N -0.60 1.87 -1.61 -1.59 1.01 -0.25 -1.52 120.40 117.71 3ktb s VAL 78 Ca 0.16 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3ktb s VAL 78 Cb -0.13 -1.75 0.15 0.00 0.00 0.00 0.00 36.38 34.65 3ktb s VAL 78 CO 0.05 0.44 0.71 0.47 0.00 0.00 0.00 175.10 176.76 3ktb n ASP 79 N 4.66 -3.21 0.00 3.32 10.43 0.68 -2.12 116.55 130.31 3ktb n ASP 79 Ca -0.19 -0.90 0.00 0.00 2.57 0.00 0.00 54.79 56.28 3ktb n ASP 79 Cb 0.49 -2.64 0.00 0.00 1.84 0.00 0.00 41.12 40.81 3ktb n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ktb n GLY 80 N -1.30 1.80 3.60 0.44 0.00 -1.26 -5.01 105.19 103.46 3ktb n GLY 80 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3ktb n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ktb s GLU 81 N -0.77 2.42 0.02 1.61 2.02 -0.90 -4.95 118.70 118.15 3ktb s GLU 81 Ca 0.00 -0.83 -0.36 0.00 0.02 0.00 0.00 54.97 53.80 3ktb s GLU 81 Cb 0.00 -2.45 -0.15 0.00 0.10 0.00 0.00 34.13 31.64 3ktb s GLU 81 CO 0.00 0.56 1.59 -0.89 0.02 0.00 0.00 175.26 176.55 3ktb n ILE 82 N 1.15 0.16 0.00 -1.63 2.08 -1.26 -1.09 119.36 118.78 3ktb n ILE 82 Ca -0.14 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.14 3ktb n ILE 82 Cb 0.52 -1.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 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 4.09 1.99 -3.12 -1.39 0.00 -0.03 -4.84 120.51 117.21 3ktb n ALA 83 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 3ktb n ALA 83 Cb 0.23 0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.99 0.05 0.19 0.00 1.01 -1.17 -5.01 120.40 113.49 3ktb s VAL 84 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3ktb s VAL 84 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3ktb s VAL 84 CO 0.00 -0.24 0.18 -0.94 0.00 0.00 0.00 175.10 174.10 3ktb s SER 85 N -0.89 0.13 0.00 3.32 1.04 -1.26 -1.33 113.70 114.71 3ktb s SER 85 Ca -0.10 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3ktb s SER 85 Cb -0.05 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3ktb s SER 85 CO 0.01 -0.87 0.00 0.00 0.98 0.00 0.00 173.24 173.37 3ktb n GLN 86 N -0.25 0.00 -4.25 4.02 10.64 -0.17 -4.84 117.38 122.53 3ktb n GLN 86 Ca -0.01 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.01 3ktb n GLN 86 Cb 0.65 -0.86 -0.10 0.00 -0.86 0.00 0.00 30.24 29.06 3ktb n GLN 86 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3ktb s THR 87 N 0.00 1.23 0.28 -0.39 -4.23 -1.26 -4.18 115.64 107.09 3ktb s THR 87 Ca 0.00 -1.96 -0.28 0.00 -1.18 0.00 0.00 61.69 58.27 3ktb s THR 87 Cb 0.00 -1.75 -0.09 0.00 1.34 0.00 0.00 72.50 72.00 3ktb s THR 87 CO 0.00 -0.65 0.95 -0.31 -0.54 0.00 0.00 174.62 174.07 3ktb s TYR 88 N -2.97 3.82 0.26 3.99 2.02 -1.26 -4.76 117.35 118.45 3ktb s TYR 88 Ca 0.14 1.84 -0.29 0.00 -0.37 0.00 0.00 57.07 58.40 3ktb s TYR 88 Cb 0.00 -2.97 -0.14 0.00 -0.40 0.00 0.00 41.96 38.45 3ktb s TYR 88 CO 0.02 0.27 1.04 -2.30 -1.57 0.00 0.00 175.55 173.01 3ktb n PRO 89 N 1.01 1.30 -1.09 -1.71 -0.02 -1.26 -4.94 135.00 128.29 3ktb n PRO 89 Ca 0.00 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3ktb n PRO 89 Cb 0.48 -1.85 0.12 0.00 -0.02 0.00 0.00 33.50 32.23 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 -0.85 2.57 0.36 3.45 -4.23 -1.26 -4.93 115.64 110.75 3ktb s THR 90 Ca 0.62 0.21 0.04 0.00 -1.18 0.00 0.00 61.69 61.38 3ktb s THR 90 Cb -0.73 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 70.81 3ktb s THR 90 CO 0.58 -0.22 1.97 0.74 -0.54 0.00 0.00 174.62 177.15 3ktb h THR 91 N -1.19 1.16 -0.07 3.99 2.02 -1.98 -2.66 112.91 114.18 3ktb h THR 91 Ca -0.44 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.32 3ktb h THR 91 Cb 1.26 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 3ktb h THR 91 CO 0.47 0.18 -0.15 0.50 0.37 0.00 0.00 175.52 176.89 3ktb h LYS 92 N 0.64 -0.21 -0.61 6.66 3.64 -1.98 0.55 116.57 125.26 3ktb h LYS 92 Ca 0.16 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3ktb h LYS 92 Cb 0.07 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3ktb h LYS 92 CO -0.02 -0.14 0.00 1.04 -2.27 0.00 0.00 179.45 178.06 3ktb n GLN 93 N -5.29 0.00 0.00 1.90 6.02 -1.00 -0.68 117.38 118.33 3ktb n GLN 93 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3ktb n GLN 93 Cb 0.21 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3ktb n GLN 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ktb n SER 95 N 0.62 0.00 -0.00 1.08 2.88 0.18 0.36 113.62 118.74 3ktb n SER 95 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 3ktb n SER 95 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3ktb n SER 95 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3ktb h GLU 96 N 0.00 0.58 0.00 -1.46 5.08 -1.13 -0.95 114.58 116.69 3ktb h GLU 96 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3ktb h GLU 96 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ktb h GLU 96 CO 0.00 1.16 0.00 -1.49 -1.00 0.00 0.00 179.01 177.68 3ktb h TRP 97 N 0.19 0.00 0.00 4.33 6.55 -0.36 -3.26 115.95 123.40 3ktb h TRP 97 Ca -0.07 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.76 3ktb h TRP 97 Cb 1.36 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.66 3ktb h TRP 97 CO 0.12 0.00 -1.15 2.41 -1.05 0.00 0.00 178.44 178.76 3ktb n THR 98 N -2.35 0.06 -0.64 1.49 -1.04 -1.21 -1.25 114.28 109.33 3ktb n THR 98 Ca 0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3ktb n THR 98 Cb 0.24 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 3ktb n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ktb n GLY 99 N 2.48 1.59 3.76 3.41 0.00 -0.37 -4.90 105.19 111.15 3ktb n GLY 99 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.50 5.07 -0.93 1.61 1.01 -1.20 -5.02 120.40 117.45 3ktb s VAL 100 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 3ktb s VAL 100 Cb 0.00 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.59 3ktb s VAL 100 CO 0.00 0.40 1.37 0.21 0.00 0.00 0.00 175.10 177.08 3ktb s ASN 101 N 0.06 6.40 0.45 3.32 2.47 -1.26 -4.46 114.94 121.92 3ktb s ASN 101 Ca 0.27 -1.18 -0.18 0.00 0.42 0.00 0.00 52.86 52.20 3ktb s ASN 101 Cb -0.16 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 36.99 3ktb s ASN 101 CO 0.13 -1.58 0.93 -0.76 -3.72 0.00 0.00 177.10 172.10 3ktb s LEU 102 N 5.06 3.80 0.00 3.21 1.43 -1.26 -5.15 118.68 125.77 3ktb s LEU 102 Ca 0.42 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 3ktb s LEU 102 Cb -0.03 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.75 3ktb s LEU 102 CO -0.02 -0.45 0.00 0.47 0.23 0.00 0.00 176.35 176.58