#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj6 n GLY 2 N 0.00 -0.64 2.54 3.17 0.00 -1.26 -5.11 105.19 103.89 2kj6 n GLY 2 Ca 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 2kj6 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kj6 n HIS 3 N 4.75 -3.41 -3.19 1.61 -0.00 -1.26 -4.94 115.22 108.78 2kj6 n HIS 3 Ca 0.00 1.50 -0.45 0.00 -0.00 0.00 0.00 57.72 58.78 2kj6 n HIS 3 Cb 0.00 -3.66 -0.05 0.00 -0.00 0.00 0.00 29.99 26.28 2kj6 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 4 N -1.44 3.09 -0.72 1.57 5.65 -1.26 -5.00 115.29 117.18 2kj6 s HIS 4 Ca 0.01 -0.93 -0.17 0.00 0.25 0.00 0.00 55.06 54.22 2kj6 s HIS 4 Cb -0.00 -3.76 0.15 0.00 -1.18 0.00 0.00 32.58 27.78 2kj6 s HIS 4 CO 0.67 -1.12 0.77 -1.58 -0.65 0.00 0.00 174.74 172.82 2kj6 s HIS 5 N 2.34 3.32 -0.10 3.88 5.04 -1.26 -4.68 115.29 123.82 2kj6 s HIS 5 Ca 0.10 -1.44 0.12 0.00 -1.54 0.00 0.00 55.06 52.29 2kj6 s HIS 5 Cb -0.24 -3.96 0.25 0.00 0.04 0.00 0.00 32.58 28.67 2kj6 s HIS 5 CO 0.07 -1.18 1.17 1.58 -2.34 0.00 0.00 174.74 174.04 2kj6 n HIS 6 N 5.39 -0.28 -2.32 3.88 -0.00 -1.26 -5.09 115.22 115.55 2kj6 n HIS 6 Ca 0.03 -0.95 -0.43 0.00 0.46 0.00 0.00 57.72 56.84 2kj6 n HIS 6 Cb 0.45 0.48 -0.02 0.00 -0.12 0.00 0.00 29.99 30.77 2kj6 n HIS 6 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kj6 s HIS 7 N -0.42 2.44 -0.49 1.57 5.04 -1.26 -4.95 115.29 117.22 2kj6 s HIS 7 Ca 0.13 0.73 -0.24 0.00 -1.54 0.00 0.00 55.06 54.15 2kj6 s HIS 7 Cb 0.23 -4.04 0.03 0.00 0.04 0.00 0.00 32.58 28.84 2kj6 s HIS 7 CO -0.07 -2.11 0.86 -1.58 -2.34 0.00 0.00 174.74 169.50 2kj6 s HIS 8 N 4.96 2.91 -0.02 3.88 2.46 -1.26 -5.01 115.29 123.20 2kj6 s HIS 8 Ca 0.62 0.09 0.06 0.00 0.47 0.00 0.00 55.06 56.30 2kj6 s HIS 8 Cb -0.18 -3.87 -0.01 0.00 -0.13 0.00 0.00 32.58 28.39 2kj6 s HIS 8 CO 0.27 -1.15 -0.20 0.45 -2.47 0.00 0.00 174.74 171.65 2kj6 s SER 9 N 2.47 2.32 -0.36 9.88 0.15 -1.26 -5.11 113.70 121.79 2kj6 s SER 9 Ca 0.30 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.62 2kj6 s SER 9 Cb -0.12 -0.34 0.11 0.00 -1.71 0.00 0.00 66.02 63.95 2kj6 s SER 9 CO 0.21 0.23 0.10 -2.28 1.20 0.00 0.00 173.24 172.70 2kj6 s HIS 10 N -0.37 3.00 0.00 3.44 2.46 -1.26 -4.88 115.29 117.67 2kj6 s HIS 10 Ca 0.05 -2.64 0.00 0.00 0.47 0.00 0.00 55.06 52.95 2kj6 s HIS 10 Cb -0.08 -2.50 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 2kj6 s HIS 10 CO -0.00 -0.89 0.00 0.41 -2.47 0.00 0.00 174.74 171.79 2kj6 n GLY 11 N 4.22 0.39 2.65 1.59 0.00 -1.26 -5.00 105.19 107.78 2kj6 n GLY 11 Ca 0.03 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 2kj6 n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kj6 n ASP 12 N 0.00 2.27 -1.86 1.61 2.03 -1.26 -4.95 116.55 114.39 2kj6 n ASP 12 Ca 0.00 -2.57 -0.04 0.00 0.52 0.00 0.00 54.79 52.70 2kj6 n ASP 12 Cb 0.00 -0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 39.88 2kj6 n ASP 12 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kj6 n ASP 13 N -0.48 3.83 -3.38 1.67 9.92 -1.26 -4.59 116.55 122.26 2kj6 n ASP 13 Ca 0.15 -2.10 -0.17 0.00 -0.53 0.00 0.00 54.79 52.14 2kj6 n ASP 13 Cb 0.82 -0.91 -0.09 0.00 -0.64 0.00 0.00 41.12 40.31 2kj6 n ASP 13 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2kj6 s SER 14 N 2.12 1.46 0.43 -2.24 0.01 -1.16 -3.10 113.70 111.22 2kj6 s SER 14 Ca 0.21 -1.19 -0.24 0.00 1.31 0.00 0.00 55.95 56.04 2kj6 s SER 14 Cb 0.10 0.51 -0.08 0.00 0.21 0.00 0.00 66.02 66.76 2kj6 s SER 14 CO 0.00 -0.32 1.13 0.68 0.41 0.00 0.00 173.24 175.13 2kj6 s VAL 15 N 1.88 3.32 -0.92 3.43 -7.23 0.31 -4.83 120.40 116.35 2kj6 s VAL 15 Ca 0.13 1.02 -0.15 0.00 -1.81 0.00 0.00 61.98 61.17 2kj6 s VAL 15 Cb -0.15 -3.53 0.19 0.00 0.56 0.00 0.00 36.38 33.45 2kj6 s VAL 15 CO -0.18 0.02 0.98 -1.00 -0.31 0.00 0.00 175.10 174.61 2kj6 s HIS 16 N -1.55 3.60 -0.08 2.82 3.76 -1.26 -4.00 115.29 118.58 2kj6 s HIS 16 Ca 0.60 -1.90 0.01 0.00 -0.15 0.00 0.00 55.06 53.63 2kj6 s HIS 16 Cb -0.27 -4.01 -0.03 0.00 1.11 0.00 0.00 32.58 29.39 2kj6 s HIS 16 CO 0.33 -1.18 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.44 2kj6 s LEU 17 N 0.91 2.98 -0.30 0.89 1.43 -0.99 -1.50 118.68 122.10 2kj6 s LEU 17 Ca 0.26 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2kj6 s LEU 17 Cb -0.08 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2kj6 s LEU 17 CO -0.08 0.31 0.03 -1.00 0.23 0.00 0.00 176.35 175.84 2kj6 s HIS 18 N -0.52 3.22 -0.19 0.29 3.76 -1.07 -1.31 115.29 119.47 2kj6 s HIS 18 Ca 0.07 -1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 53.09 2kj6 s HIS 18 Cb -0.12 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 2kj6 s HIS 18 CO 0.02 -0.75 1.34 0.42 -0.85 0.00 0.00 174.74 174.92 2kj6 s ILE 19 N 1.33 4.12 -0.30 0.60 1.01 -0.71 -0.29 121.20 126.96 2kj6 s ILE 19 Ca -0.03 1.33 -0.00 0.00 0.00 0.00 0.00 60.65 61.95 2kj6 s ILE 19 Cb -0.19 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.38 2kj6 s ILE 19 CO -0.00 -0.23 -0.02 -0.89 0.00 0.00 0.00 174.94 173.80 2kj6 s THR 20 N 3.93 2.71 0.32 2.92 2.01 0.92 -4.30 115.64 124.14 2kj6 s THR 20 Ca 0.58 -1.55 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 2kj6 s THR 20 Cb -0.22 -2.61 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 2kj6 s THR 20 CO 0.19 -0.14 0.68 -2.28 -0.69 0.00 0.00 174.62 172.39 2kj6 s HIS 21 N 1.18 3.43 -0.17 4.92 2.46 -1.26 -0.32 115.29 125.53 2kj6 s HIS 21 Ca -0.05 1.02 -0.16 0.00 0.47 0.00 0.00 55.06 56.34 2kj6 s HIS 21 Cb -0.20 -2.39 -0.12 0.00 -0.13 0.00 0.00 32.58 29.74 2kj6 s HIS 21 CO -0.03 0.08 0.10 0.00 -2.47 0.00 0.00 174.74 172.43 2kj6 h ALA 22 N 1.95 0.11 0.04 1.58 0.00 -1.92 -3.36 119.26 117.66 2kj6 h ALA 22 Ca -0.47 -0.76 -0.23 0.00 0.00 0.00 0.00 54.91 53.45 2kj6 h ALA 22 Cb 1.18 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2kj6 h ALA 22 CO 0.66 0.49 -1.05 -0.91 0.00 0.00 0.00 179.25 178.44 2kj6 h ASN 23 N -1.00 0.18 -3.63 0.00 2.35 -1.87 -3.35 115.58 108.27 2kj6 h ASN 23 Ca -0.15 -0.18 -0.80 0.00 -0.55 0.00 0.00 56.30 54.62 2kj6 h ASN 23 Cb 0.85 -0.06 -0.27 0.00 0.05 0.00 0.00 38.32 38.89 2kj6 h ASN 23 CO -0.09 1.11 0.35 -0.76 -1.65 0.00 0.00 177.43 176.40 2kj6 s LEU 24 N -6.99 6.46 0.19 1.61 1.02 -1.26 -4.86 118.68 114.85 2kj6 s LEU 24 Ca -0.01 -3.30 0.25 0.00 0.02 0.00 0.00 54.13 51.08 2kj6 s LEU 24 Cb 0.09 -2.21 0.90 0.00 0.02 0.00 0.00 46.19 44.99 2kj6 s LEU 24 CO 0.84 -0.39 1.75 2.29 0.02 0.00 0.00 176.35 180.87 2kj6 n LYS 25 N 3.15 0.19 -0.80 1.70 2.85 -1.26 -2.13 118.16 121.87 2kj6 n LYS 25 Ca 0.21 0.27 -0.04 0.00 -1.05 0.00 0.00 58.31 57.69 2kj6 n LYS 25 Cb 0.42 -1.78 0.22 0.00 -0.65 0.00 0.00 35.03 33.24 2kj6 n LYS 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kj6 n SER 26 N -2.12 3.15 -4.55 -5.58 2.88 -1.26 -4.90 113.62 101.25 2kj6 n SER 26 Ca 0.04 -3.54 -0.41 0.00 -1.33 0.00 0.00 58.87 53.63 2kj6 n SER 26 Cb 0.33 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 2kj6 n SER 26 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2kj6 s PHE 27 N -3.14 2.61 -0.67 0.66 5.36 -0.90 -4.95 117.98 116.94 2kj6 s PHE 27 Ca 0.47 -0.93 -0.27 0.00 -0.96 0.00 0.00 56.93 55.23 2kj6 s PHE 27 Cb 0.41 -4.65 0.02 0.00 -0.34 0.00 0.00 43.02 38.46 2kj6 s PHE 27 CO 0.04 -1.88 1.33 -1.12 -1.46 0.00 0.00 175.22 172.13 2kj6 s SER 28 N 4.80 6.15 -0.05 6.13 0.01 -1.26 -4.63 113.70 124.85 2kj6 s SER 28 Ca 0.45 -0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 2kj6 s SER 28 Cb -0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2kj6 s SER 28 CO -0.09 -1.78 0.01 0.00 0.41 0.00 0.00 173.24 171.79 2kj6 s ALA 29 N 5.86 0.45 -0.05 1.44 0.00 -1.26 -5.11 121.76 123.09 2kj6 s ALA 29 Ca 0.42 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 2kj6 s ALA 29 Cb -0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 2kj6 s ALA 29 CO 0.19 -0.32 0.14 0.16 0.00 0.00 0.00 175.76 175.94 2kj6 s ASP 30 N 1.65 6.21 -0.36 0.00 -4.77 -1.26 -1.74 116.67 116.39 2kj6 s ASP 30 Ca -0.01 0.35 0.02 0.00 -3.30 0.00 0.00 52.55 49.61 2kj6 s ASP 30 Cb -0.13 -1.94 0.10 0.00 -1.09 0.00 0.00 42.92 39.87 2kj6 s ASP 30 CO -0.03 0.32 0.10 0.00 0.70 0.00 0.00 175.17 176.26 2kj6 s ALA 31 N -1.18 2.98 -0.31 2.11 0.00 -0.43 -4.91 121.76 120.03 2kj6 s ALA 31 Ca 0.22 -2.55 0.03 0.00 0.00 0.00 0.00 51.96 49.65 2kj6 s ALA 31 Cb -0.12 -2.11 0.09 0.00 0.00 0.00 0.00 23.12 20.98 2kj6 s ALA 31 CO 0.12 -1.73 0.01 -0.98 0.00 0.00 0.00 175.76 173.18 2kj6 s ARG 32 N 0.96 1.54 0.38 0.00 1.70 -1.26 -2.36 118.95 119.92 2kj6 s ARG 32 Ca 0.10 -1.56 0.04 0.00 -0.47 0.00 0.00 55.73 53.84 2kj6 s ARG 32 Cb -0.20 -2.91 -0.05 0.00 -0.57 0.00 0.00 34.95 31.22 2kj6 s ARG 32 CO -0.07 -0.83 0.06 -0.06 -1.08 0.00 0.00 175.30 173.32 2kj6 s PHE 33 N 1.09 1.99 0.42 5.89 0.08 -1.25 -4.77 117.98 121.43 2kj6 s PHE 33 Ca 0.05 -1.00 -0.25 0.00 0.12 0.00 0.00 56.93 55.85 2kj6 s PHE 33 Cb -0.19 -1.37 -0.08 0.00 -0.57 0.00 0.00 43.02 40.81 2kj6 s PHE 33 CO -0.09 0.02 1.24 -1.54 -0.10 0.00 0.00 175.22 174.75 2kj6 s SER 34 N -3.60 6.27 0.00 1.36 1.04 -1.18 -0.53 113.70 117.06 2kj6 s SER 34 Ca 0.29 2.51 0.08 0.00 0.48 0.00 0.00 55.95 59.31 2kj6 s SER 34 Cb 0.06 -2.62 0.46 0.00 0.10 0.00 0.00 66.02 64.02 2kj6 s SER 34 CO 0.14 -0.86 1.04 -0.81 0.98 0.00 0.00 173.24 173.73 2kj6 n PRO 35 N -0.07 0.19 0.00 4.02 -0.04 -1.26 -1.38 135.00 136.46 2kj6 n PRO 35 Ca 0.05 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2kj6 n PRO 35 Cb 0.45 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.90 2kj6 n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kj6 n GLN 36 N -1.14 0.34 -2.89 0.54 6.02 -1.26 0.11 117.38 119.10 2kj6 n GLN 36 Ca 0.05 -0.13 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 2kj6 n GLN 36 Cb 0.05 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2kj6 s MET 37 N -2.75 4.06 0.33 -1.09 1.75 -0.48 -4.47 119.30 116.65 2kj6 s MET 37 Ca 0.20 0.86 0.09 0.00 -1.25 0.00 0.00 55.69 55.60 2kj6 s MET 37 Cb 0.19 -2.29 -0.06 0.00 2.84 0.00 0.00 34.83 35.51 2kj6 s MET 37 CO 0.56 0.01 -0.10 -1.54 -0.65 0.00 0.00 175.02 173.29 2kj6 s SER 38 N -2.43 3.60 0.58 1.11 1.04 -1.26 -2.17 113.70 114.17 2kj6 s SER 38 Ca 0.58 -1.19 0.36 0.00 0.48 0.00 0.00 55.95 56.18 2kj6 s SER 38 Cb -0.10 -0.32 1.75 0.00 0.10 0.00 0.00 66.02 67.45 2kj6 s SER 38 CO 0.19 -0.20 2.14 1.62 0.98 0.00 0.00 173.24 177.96 2kj6 h VAL 39 N 2.07 0.15 -0.86 5.02 3.04 -1.84 -1.78 116.25 122.05 2kj6 h VAL 39 Ca -0.42 -0.36 0.14 0.00 -1.01 0.00 0.00 66.70 65.06 2kj6 h VAL 39 Cb 1.25 1.30 -0.07 0.00 -2.01 0.00 0.00 31.29 31.77 2kj6 h VAL 39 CO 0.69 0.03 0.56 -0.08 -1.01 0.00 0.00 177.57 177.76 2kj6 h GLU 40 N 0.00 0.63 -0.21 4.17 4.81 -1.88 -1.37 114.58 120.73 2kj6 h GLU 40 Ca -0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 2kj6 h GLU 40 Cb 0.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2kj6 h GLU 40 CO 0.00 0.42 -0.42 0.00 -0.73 0.00 0.00 179.01 178.28 2kj6 h ALA 41 N 1.61 0.88 0.00 2.92 0.00 -1.63 -1.91 119.26 121.12 2kj6 h ALA 41 Ca 0.43 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2kj6 h ALA 41 Cb 0.72 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kj6 h ALA 41 CO -0.19 0.64 -1.09 -0.24 0.00 0.00 0.00 179.25 178.38 2kj6 h VAL 42 N 0.41 1.28 0.36 0.00 3.04 -1.52 -2.38 116.25 117.44 2kj6 h VAL 42 Ca 0.03 -2.94 -0.02 0.00 -1.01 0.00 0.00 66.70 62.77 2kj6 h VAL 42 Cb 0.91 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.81 2kj6 h VAL 42 CO 0.08 0.73 -0.17 0.11 -1.01 0.00 0.00 177.57 177.30 2kj6 h LYS 43 N 0.00 -0.47 -0.49 4.17 1.79 -1.15 -1.76 116.57 118.67 2kj6 h LYS 43 Ca -0.08 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2kj6 h LYS 43 Cb 1.73 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.47 2kj6 h LYS 43 CO 0.10 -0.23 0.29 1.49 -1.08 0.00 0.00 179.45 180.01 2kj6 h GLU 44 N -0.61 0.65 0.32 3.15 4.81 -1.42 0.02 114.58 121.50 2kj6 h GLU 44 Ca -0.05 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2kj6 h GLU 44 Cb 0.45 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2kj6 h GLU 44 CO 0.08 0.47 -0.16 -0.22 -0.73 0.00 0.00 179.01 178.45 2kj6 h LYS 45 N 0.67 -0.42 0.00 1.92 3.64 -1.26 -2.72 116.57 118.40 2kj6 h LYS 45 Ca 0.18 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2kj6 h LYS 45 Cb -0.01 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kj6 h LYS 45 CO -0.03 -0.19 -0.45 -0.07 -2.27 0.00 0.00 179.45 176.43 2kj6 h LEU 46 N -0.57 0.00 0.05 5.20 3.38 -1.09 -2.31 115.31 119.96 2kj6 h LEU 46 Ca -0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kj6 h LEU 46 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2kj6 h LEU 46 CO 0.07 0.45 -0.23 -0.25 0.09 0.00 0.00 178.44 178.57 2kj6 h TRP 47 N 0.00 -0.62 -0.38 1.13 7.01 -0.85 0.86 115.95 123.10 2kj6 h TRP 47 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2kj6 h TRP 47 Cb 0.89 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 2kj6 h TRP 47 CO 0.00 -0.32 0.00 0.36 -2.79 0.00 0.00 178.44 175.69 2kj6 n LYS 48 N -5.36 1.90 -0.12 2.65 2.85 -1.04 -1.18 118.16 117.86 2kj6 n LYS 48 Ca -0.06 -1.39 -0.23 0.00 -1.05 0.00 0.00 58.31 55.58 2kj6 n LYS 48 Cb 0.27 -1.31 -0.08 0.00 -0.65 0.00 0.00 35.03 33.27 2kj6 n LYS 48 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2kj6 n LYS 49 N 0.63 0.55 -0.03 -1.58 4.81 -0.79 -4.72 118.16 117.03 2kj6 n LYS 49 Ca 0.13 0.24 0.07 0.00 -0.87 0.00 0.00 58.31 57.88 2kj6 n LYS 49 Cb 0.33 -1.44 -0.16 0.00 0.02 0.00 0.00 35.03 33.78 2kj6 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kj6 n GLY 51 N 1.38 -0.02 3.91 0.00 0.00 -0.32 -5.03 105.19 105.11 2kj6 n GLY 51 Ca -0.09 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2kj6 n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kj6 s THR 52 N -3.21 2.48 0.05 2.61 -1.32 -1.26 -5.08 115.64 109.91 2kj6 s THR 52 Ca 0.36 -1.29 -0.25 0.00 -1.21 0.00 0.00 61.69 59.30 2kj6 s THR 52 Cb -0.16 -2.77 -0.06 0.00 -1.51 0.00 0.00 72.50 68.00 2kj6 s THR 52 CO 0.47 0.00 0.75 -0.44 -2.21 0.00 0.00 174.62 173.19 2kj6 s SER 53 N -4.24 7.21 0.34 8.08 0.01 -1.26 -4.87 113.70 118.97 2kj6 s SER 53 Ca 0.48 1.44 0.15 0.00 1.31 0.00 0.00 55.95 59.33 2kj6 s SER 53 Cb -0.04 -2.46 0.58 0.00 0.21 0.00 0.00 66.02 64.31 2kj6 s SER 53 CO 0.29 0.04 1.70 -0.37 0.41 0.00 0.00 173.24 175.31 2kj6 h VAL 54 N 4.04 1.13 0.00 3.43 -1.51 -1.98 -2.62 116.25 118.74 2kj6 h VAL 54 Ca -0.44 -1.70 -0.08 0.00 -1.23 0.00 0.00 66.70 63.25 2kj6 h VAL 54 Cb 1.21 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 2kj6 h VAL 54 CO 0.70 0.45 -0.37 -1.13 -1.23 0.00 0.00 177.57 175.99 2kj6 h ASN 55 N 0.00 0.00 0.94 4.19 -1.24 -2.06 -2.12 115.58 115.29 2kj6 h ASN 55 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kj6 h ASN 55 Cb 0.93 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.98 2kj6 h ASN 55 CO 0.06 0.37 0.00 -1.20 -1.29 0.00 0.00 177.43 175.37 2kj6 n SER 56 N -3.64 0.00 -4.39 1.15 7.64 -0.99 -4.45 113.62 108.93 2kj6 n SER 56 Ca -0.01 0.45 -0.45 0.00 1.01 0.00 0.00 58.87 59.87 2kj6 n SER 56 Cb 0.48 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kj6 s MET 57 N -2.96 3.87 -0.46 1.43 -2.45 -0.80 -4.99 119.30 112.94 2kj6 s MET 57 Ca 0.15 -2.52 -0.23 0.00 -1.25 0.00 0.00 55.69 51.85 2kj6 s MET 57 Cb 0.19 -4.73 0.03 0.00 1.25 0.00 0.00 34.83 31.56 2kj6 s MET 57 CO 0.51 -1.51 0.77 0.00 1.05 0.00 0.00 175.02 175.84 2kj6 s ALA 58 N 0.74 3.29 -0.54 4.11 0.00 -1.26 -5.01 121.76 123.09 2kj6 s ALA 58 Ca 0.31 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 2kj6 s ALA 58 Cb -0.07 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.64 2kj6 s ALA 58 CO -0.07 -1.95 0.81 -0.51 0.00 0.00 0.00 175.76 174.04 2kj6 s LEU 59 N 3.24 4.50 -1.10 0.00 1.43 -1.26 -3.84 118.68 121.65 2kj6 s LEU 59 Ca 0.28 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 2kj6 s LEU 59 Cb -0.13 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.50 2kj6 s LEU 59 CO 0.21 -1.11 1.61 -1.61 0.23 0.00 0.00 176.35 175.68 2kj6 s GLU 60 N 3.39 3.56 -0.56 1.70 0.41 -0.36 -4.88 118.70 121.96 2kj6 s GLU 60 Ca 0.23 -1.31 -0.22 0.00 -0.41 0.00 0.00 54.97 53.26 2kj6 s GLU 60 Cb -0.16 -5.38 0.06 0.00 -1.78 0.00 0.00 34.13 26.87 2kj6 s GLU 60 CO 0.15 -2.42 0.84 -1.17 -0.49 0.00 0.00 175.26 172.17 2kj6 s LEU 61 N 5.52 4.48 0.09 1.80 2.96 -1.26 -2.11 118.68 130.17 2kj6 s LEU 61 Ca 0.52 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2kj6 s LEU 61 Cb 0.01 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2kj6 s LEU 61 CO -0.03 -1.17 0.18 -0.31 -1.32 0.00 0.00 176.35 173.70 2kj6 s TYR 62 N 3.53 3.38 -1.95 5.38 2.02 -1.14 -0.93 117.35 127.64 2kj6 s TYR 62 Ca 0.23 0.15 0.30 0.00 -0.37 0.00 0.00 57.07 57.38 2kj6 s TYR 62 Cb -0.16 -1.68 1.41 0.00 -0.40 0.00 0.00 41.96 41.14 2kj6 s TYR 62 CO 0.14 0.55 1.96 -0.40 -1.57 0.00 0.00 175.55 176.23 2kj6 n ASP 63 N 0.12 0.55 0.00 2.29 5.75 -0.98 -2.18 116.55 122.09 2kj6 n ASP 63 Ca -0.07 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 2kj6 n ASP 63 Cb 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2kj6 n ASP 63 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kj6 n ASP 64 N -0.71 0.00 -0.08 -1.12 2.03 -1.26 -4.81 116.55 110.59 2kj6 n ASP 64 Ca 0.19 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.32 2kj6 n ASP 64 Cb 0.24 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.51 2kj6 n ASP 64 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kj6 n SER 65 N 0.00 1.76 0.00 1.67 7.64 -1.26 -5.00 113.62 118.43 2kj6 n SER 65 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kj6 n SER 65 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj6 n GLY 66 N 2.09 0.27 3.74 0.23 0.00 -1.26 -5.13 105.19 105.13 2kj6 n GLY 66 Ca -0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 2kj6 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kj6 s SER 67 N 0.00 6.71 0.05 1.61 0.01 -1.26 -4.96 113.70 115.85 2kj6 s SER 67 Ca 0.00 0.84 -0.31 0.00 1.31 0.00 0.00 55.95 57.79 2kj6 s SER 67 Cb 0.00 -2.28 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 2kj6 s SER 67 CO 0.00 0.06 1.34 -1.59 0.41 0.00 0.00 173.24 173.46 2kj6 s LYS 68 N 0.31 4.34 -0.13 12.44 -2.85 -1.26 -2.32 119.74 130.26 2kj6 s LYS 68 Ca 0.25 1.94 0.15 0.00 -1.00 0.00 0.00 55.97 57.31 2kj6 s LYS 68 Cb -0.15 -3.41 0.40 0.00 -2.06 0.00 0.00 37.83 32.61 2kj6 s LYS 68 CO 0.11 -0.44 1.30 1.33 0.10 0.00 0.00 175.35 177.74 2kj6 n VAL 69 N 4.24 1.91 -1.60 1.79 0.24 -0.11 -4.83 118.33 119.98 2kj6 n VAL 69 Ca 0.11 -1.79 -0.40 0.00 -2.04 0.00 0.00 64.34 60.22 2kj6 n VAL 69 Cb 0.44 -0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 2kj6 n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kj6 n ALA 70 N -0.61 7.20 -3.82 2.33 0.00 -1.21 -4.74 120.51 119.66 2kj6 n ALA 70 Ca 0.17 -3.76 -0.33 0.00 0.00 0.00 0.00 53.44 49.52 2kj6 n ALA 70 Cb 0.72 -3.15 -0.11 0.00 0.00 0.00 0.00 19.45 16.91 2kj6 n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kj6 s VAL 71 N 0.92 3.27 -1.12 0.00 0.11 -1.26 -5.00 120.40 117.32 2kj6 s VAL 71 Ca 0.63 -3.41 -0.15 0.00 -2.93 0.00 0.00 61.98 56.12 2kj6 s VAL 71 Cb 0.18 -3.16 0.17 0.00 -1.53 0.00 0.00 36.38 32.04 2kj6 s VAL 71 CO -0.07 -0.90 1.32 -0.76 -3.33 0.00 0.00 175.10 171.36 2kj6 s LEU 72 N -0.53 5.20 0.04 2.54 2.01 -1.26 -4.67 118.68 122.01 2kj6 s LEU 72 Ca 0.19 -2.81 0.09 0.00 0.01 0.00 0.00 54.13 51.61 2kj6 s LEU 72 Cb -0.18 -2.38 -0.22 0.00 0.01 0.00 0.00 46.19 43.41 2kj6 s LEU 72 CO -0.05 -0.78 0.98 -1.28 1.01 0.00 0.00 176.35 176.22 2kj6 h SER 73 N 7.53 0.03 -0.73 2.29 0.87 -1.99 -3.32 113.55 118.23 2kj6 h SER 73 Ca 0.26 -0.05 -0.32 0.00 -1.23 0.00 0.00 61.79 60.46 2kj6 h SER 73 Cb 0.91 -0.01 -0.19 0.00 -0.44 0.00 0.00 62.40 62.67 2kj6 h SER 73 CO 1.18 1.04 0.34 0.47 -0.53 0.00 0.00 176.83 179.33 2kj6 n ASP 74 N -3.23 3.85 0.27 6.23 9.92 -1.26 -4.58 116.55 127.74 2kj6 n ASP 74 Ca -0.09 -3.48 0.11 0.00 -0.53 0.00 0.00 54.79 50.80 2kj6 n ASP 74 Cb 1.00 -0.75 0.73 0.00 -0.64 0.00 0.00 41.12 41.46 2kj6 n ASP 74 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2kj6 h ASP 75 N 1.59 0.00 -0.61 -2.24 2.03 -1.93 -0.13 116.42 115.13 2kj6 h ASP 75 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 2kj6 h ASP 75 Cb 2.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.86 2kj6 h ASP 75 CO 0.78 0.06 0.00 -1.54 -1.03 0.00 0.00 179.24 177.51 2kj6 n SER 76 N -4.08 4.48 -4.31 4.15 3.41 -1.26 -2.63 113.62 113.39 2kj6 n SER 76 Ca -0.03 -2.41 -0.17 0.00 -0.26 0.00 0.00 58.87 56.01 2kj6 n SER 76 Cb 0.14 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2kj6 s ARG 77 N -1.82 1.23 0.07 4.33 0.52 -0.06 -5.04 118.95 118.17 2kj6 s ARG 77 Ca 0.48 -1.55 -0.34 0.00 -0.52 0.00 0.00 55.73 53.80 2kj6 s ARG 77 Cb 0.31 -0.83 -0.13 0.00 0.52 0.00 0.00 34.95 34.82 2kj6 s ARG 77 CO 0.23 0.09 1.72 -2.30 0.02 0.00 0.00 175.30 175.06 2kj6 n PRO 78 N -0.32 2.24 -0.03 3.54 -0.02 -1.26 -4.43 135.00 134.72 2kj6 n PRO 78 Ca -0.08 0.81 0.03 0.00 -2.02 0.00 0.00 63.50 62.24 2kj6 n PRO 78 Cb 0.61 -2.63 0.38 0.00 -0.02 0.00 0.00 33.50 31.85 2kj6 n PRO 78 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kj6 h LEU 79 N 7.42 0.53 -0.67 2.45 5.85 -1.12 -1.53 115.31 128.23 2kj6 h LEU 79 Ca -0.46 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2kj6 h LEU 79 Cb 1.26 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2kj6 h LEU 79 CO 0.92 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 180.04 2kj6 n GLY 80 N -1.38 -1.33 0.16 3.75 0.00 0.12 -1.31 105.19 105.20 2kj6 n GLY 80 Ca 0.04 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2kj6 n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2kj6 h PHE 81 N 0.00 0.56 -0.02 1.61 3.57 -1.48 -3.23 116.94 117.95 2kj6 h PHE 81 Ca 0.00 -0.18 -0.25 0.00 3.53 0.00 0.00 57.97 61.07 2kj6 h PHE 81 Cb 0.41 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.05 2kj6 h PHE 81 CO 0.00 0.85 -0.98 0.35 -2.23 0.00 0.00 178.31 176.30 2kj6 h PHE 82 N 0.12 1.02 -4.94 0.41 3.57 -1.59 -3.50 116.94 112.04 2kj6 h PHE 82 Ca 0.03 -0.54 0.00 0.00 3.53 0.00 0.00 57.97 60.98 2kj6 h PHE 82 Cb 0.76 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2kj6 h PHE 82 CO 0.08 1.38 -0.85 0.43 -2.23 0.00 0.00 178.31 177.13 2kj6 n SER 83 N -3.89 -7.45 -2.08 0.41 7.64 -0.42 -5.05 113.62 102.77 2kj6 n SER 83 Ca -0.11 1.21 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2kj6 n SER 83 Cb 0.85 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 2kj6 n SER 83 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kj6 n PRO 84 N 0.53 0.15 0.12 1.43 -0.05 -1.26 -4.96 135.00 130.96 2kj6 n PRO 84 Ca 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.48 2kj6 n PRO 84 Cb 0.05 0.00 0.38 0.00 -0.05 0.00 0.00 33.50 33.88 2kj6 n PRO 84 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 175.50 175.80 2kj6 h PHE 85 N -0.86 0.23 -1.59 0.54 3.57 -2.00 -3.49 116.94 113.34 2kj6 h PHE 85 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2kj6 h PHE 85 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2kj6 h PHE 85 CO 0.00 0.38 -0.38 -3.47 -2.23 0.00 0.00 178.31 172.62 2kj6 n ASP 86 N -4.25 -4.73 -0.18 0.41 2.03 -1.26 -4.99 116.55 103.57 2kj6 n ASP 86 Ca -0.01 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2kj6 n ASP 86 Cb 0.29 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.30 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kj6 n GLY 87 N -0.32 0.78 3.95 0.27 0.00 -0.56 -5.01 105.19 104.30 2kj6 n GLY 87 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2kj6 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kj6 s PHE 88 N -1.94 3.11 -0.33 1.61 0.08 -1.22 -4.87 117.98 114.40 2kj6 s PHE 88 Ca 0.00 0.20 -0.17 0.00 0.12 0.00 0.00 56.93 57.08 2kj6 s PHE 88 Cb 0.00 -2.51 -0.01 0.00 -0.57 0.00 0.00 43.02 39.93 2kj6 s PHE 88 CO 0.00 -0.58 0.47 1.03 -0.10 0.00 0.00 175.22 176.04 2kj6 s ARG 89 N -4.68 3.68 -1.25 0.44 1.81 -0.93 -2.59 118.95 115.44 2kj6 s ARG 89 Ca 0.52 -0.16 -0.11 0.00 -1.72 0.00 0.00 55.73 54.26 2kj6 s ARG 89 Cb -0.10 -3.78 0.17 0.00 -0.45 0.00 0.00 34.95 30.79 2kj6 s ARG 89 CO 0.39 -0.56 1.67 1.28 -0.68 0.00 0.00 175.30 177.40 2kj6 n LEU 90 N 5.62 5.99 -4.55 2.53 4.77 0.60 -2.86 117.00 129.09 2kj6 n LEU 90 Ca -0.06 -4.56 -0.42 0.00 -0.03 0.00 0.00 56.01 50.94 2kj6 n LEU 90 Cb 0.49 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 2kj6 n LEU 90 CO 0.43 1.08 1.04 -2.28 -1.33 0.00 0.00 177.39 176.33 2kj6 s HIS 91 N 0.93 2.49 -0.16 -1.77 2.46 -0.90 -0.06 115.29 118.29 2kj6 s HIS 91 Ca 0.41 0.06 -0.22 0.00 0.47 0.00 0.00 55.06 55.78 2kj6 s HIS 91 Cb 0.04 -4.49 -0.03 0.00 -0.13 0.00 0.00 32.58 27.97 2kj6 s HIS 91 CO 0.00 -1.78 0.66 0.42 -2.47 0.00 0.00 174.74 171.58 2kj6 s ILE 92 N 5.08 5.02 -0.43 0.89 1.01 0.56 -1.23 121.20 132.10 2kj6 s ILE 92 Ca 0.36 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 62.01 2kj6 s ILE 92 Cb -0.09 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2kj6 s ILE 92 CO 0.18 0.15 1.22 -0.63 0.00 0.00 0.00 174.94 175.86 2kj6 s ILE 93 N 1.57 4.15 -0.89 2.92 -1.09 -1.25 -2.99 121.20 123.62 2kj6 s ILE 93 Ca 0.32 1.21 -0.22 0.00 -2.23 0.00 0.00 60.65 59.72 2kj6 s ILE 93 Cb -0.16 -4.44 0.07 0.00 -1.58 0.00 0.00 42.46 36.35 2kj6 s ILE 93 CO 0.12 -0.84 1.25 -1.81 -1.23 0.00 0.00 174.94 172.44 2kj6 s ASP 94 N 2.80 6.43 0.00 3.58 1.01 -1.26 -4.68 116.67 124.54 2kj6 s ASP 94 Ca 0.52 -1.39 0.00 0.00 0.71 0.00 0.00 52.55 52.39 2kj6 s ASP 94 Cb -0.10 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2kj6 s ASP 94 CO 0.29 -1.42 0.71 0.00 0.21 0.00 0.00 175.17 174.96 2kj6 n LEU 95 N 8.09 1.31 -4.63 1.23 -0.00 -1.26 -4.81 117.00 116.93 2kj6 n LEU 95 Ca 0.20 -1.31 -0.43 0.00 -0.00 0.00 0.00 56.01 54.47 2kj6 n LEU 95 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 2kj6 n LEU 95 CO 0.62 0.33 0.82 1.51 -0.00 0.00 0.00 177.39 180.67 2kj6 s ASP 96 N -0.49 6.83 0.00 1.45 -4.77 -1.26 -5.25 116.67 113.18 2kj6 s ASP 96 Ca 0.00 0.91 0.27 0.00 -3.30 0.00 0.00 52.55 50.43 2kj6 s ASP 96 Cb 0.00 -2.49 0.85 0.00 -1.09 0.00 0.00 42.92 40.19 2kj6 s ASP 96 CO 0.00 -0.78 1.63 -0.81 0.70 0.00 0.00 175.17 175.91