#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 2.81 3.56 3.17 0.00 -1.26 -5.08 105.19 108.39 2kj6 n GLY 2 Ca 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2kj6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kj6 s HIS 3 N 0.00 1.96 0.26 1.61 5.65 -1.26 -4.95 115.29 118.55 2kj6 s HIS 3 Ca 0.00 0.52 -0.30 0.00 0.25 0.00 0.00 55.06 55.54 2kj6 s HIS 3 Cb 0.00 -4.28 -0.09 0.00 -1.18 0.00 0.00 32.58 27.03 2kj6 s HIS 3 CO 0.00 -2.22 1.14 -3.38 -0.65 0.00 0.00 174.74 169.63 2kj6 s HIS 4 N 7.47 3.49 0.13 3.88 0.00 -1.26 -5.05 115.29 123.95 2kj6 s HIS 4 Ca 0.58 1.60 0.09 0.00 -3.00 0.00 0.00 55.06 54.33 2kj6 s HIS 4 Cb -0.12 -3.36 -0.04 0.00 -4.00 0.00 0.00 32.58 25.07 2kj6 s HIS 4 CO 0.21 -0.83 -0.23 -1.01 -1.00 0.00 0.00 174.74 171.88 2kj6 s HIS 5 N -0.84 2.01 0.08 0.38 4.02 -1.26 -5.09 115.29 114.59 2kj6 s HIS 5 Ca 0.47 -0.41 0.00 0.00 1.02 0.00 0.00 55.06 56.15 2kj6 s HIS 5 Cb -0.33 -1.07 0.00 0.00 -1.02 0.00 0.00 32.58 30.16 2kj6 s HIS 5 CO 0.41 0.29 0.00 0.72 1.02 0.00 0.00 174.74 177.18 2kj6 n HIS 6 N 0.88 -2.14 -3.57 1.40 -0.00 -1.26 -5.04 115.22 105.49 2kj6 n HIS 6 Ca -0.18 0.42 -0.06 0.00 -0.00 0.00 0.00 57.72 57.90 2kj6 n HIS 6 Cb 0.54 -0.67 -0.03 0.00 -0.00 0.00 0.00 29.99 29.83 2kj6 n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kj6 s HIS 7 N -0.67 -0.22 0.00 4.41 -3.43 -1.26 -5.20 115.29 108.91 2kj6 s HIS 7 Ca 0.00 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 2kj6 s HIS 7 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2kj6 s HIS 7 CO 0.00 -0.31 0.00 -2.39 -2.00 0.00 0.00 174.74 170.04 2kj6 n HIS 8 N 0.06 0.00 -0.44 0.38 1.44 -1.26 -5.07 115.22 110.33 2kj6 n HIS 8 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 2kj6 n HIS 8 Cb 0.59 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 2kj6 n HIS 8 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2kj6 n SER 9 N -0.34 -1.76 -0.42 4.39 7.64 -1.26 -4.86 113.62 117.02 2kj6 n SER 9 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2kj6 n SER 9 Cb 0.00 -0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 62.30 2kj6 n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kj6 n HIS 10 N 0.36 0.00 -2.43 1.43 8.25 -1.26 -4.94 115.22 116.63 2kj6 n HIS 10 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2kj6 n HIS 10 Cb 0.00 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 29.82 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kj6 n GLY 11 N -2.18 4.08 3.88 -1.41 0.00 -1.26 -4.98 105.19 103.32 2kj6 n GLY 11 Ca -0.05 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2kj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kj6 s ASP 12 N 2.17 6.57 -1.41 1.61 2.15 -1.26 -4.11 116.67 122.39 2kj6 s ASP 12 Ca 0.43 0.70 -0.01 0.00 0.43 0.00 0.00 52.55 54.10 2kj6 s ASP 12 Cb 0.06 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 2kj6 s ASP 12 CO -0.00 0.12 0.19 -0.67 -0.17 0.00 0.00 175.17 174.63 2kj6 n ASP 13 N 0.55 -5.19 -4.71 -0.34 2.03 -1.26 -4.93 116.55 102.70 2kj6 n ASP 13 Ca -0.06 -0.10 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 2kj6 n ASP 13 Cb 0.52 -4.18 -0.03 0.00 -0.72 0.00 0.00 41.12 36.71 2kj6 n ASP 13 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kj6 s SER 14 N -2.42 6.98 0.18 1.67 1.04 -1.26 -4.53 113.70 115.36 2kj6 s SER 14 Ca 0.09 2.10 -0.30 0.00 0.48 0.00 0.00 55.95 58.32 2kj6 s SER 14 Cb -0.04 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 2kj6 s SER 14 CO 0.12 -0.56 1.11 0.68 0.98 0.00 0.00 173.24 175.57 2kj6 s VAL 15 N 1.32 3.81 -0.48 5.02 -7.23 0.99 -4.77 120.40 119.04 2kj6 s VAL 15 Ca 0.61 1.56 -0.19 0.00 -1.81 0.00 0.00 61.98 62.15 2kj6 s VAL 15 Cb -0.31 -4.00 0.05 0.00 0.56 0.00 0.00 36.38 32.68 2kj6 s VAL 15 CO 0.29 0.27 0.60 -2.28 -0.31 0.00 0.00 175.10 173.67 2kj6 s HIS 16 N -0.24 3.07 0.22 2.82 2.46 -1.26 -2.20 115.29 120.16 2kj6 s HIS 16 Ca 0.50 -0.45 0.07 0.00 0.47 0.00 0.00 55.06 55.65 2kj6 s HIS 16 Cb -0.30 -3.42 -0.04 0.00 -0.13 0.00 0.00 32.58 28.69 2kj6 s HIS 16 CO 0.35 -0.96 0.12 -0.51 -2.47 0.00 0.00 174.74 171.27 2kj6 s LEU 17 N 2.59 3.64 -0.32 8.88 1.43 0.60 -0.55 118.68 134.95 2kj6 s LEU 17 Ca 0.16 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2kj6 s LEU 17 Cb -0.18 -2.21 0.10 0.00 0.03 0.00 0.00 46.19 43.93 2kj6 s LEU 17 CO 0.13 0.01 0.06 -1.00 0.23 0.00 0.00 176.35 175.79 2kj6 s HIS 18 N -2.00 2.76 -0.74 0.29 3.76 -0.51 -1.56 115.29 117.28 2kj6 s HIS 18 Ca 0.31 -2.36 -0.24 0.00 -0.15 0.00 0.00 55.06 52.62 2kj6 s HIS 18 Cb -0.08 -2.30 0.06 0.00 1.11 0.00 0.00 32.58 31.36 2kj6 s HIS 18 CO 0.23 -0.91 1.14 0.42 -0.85 0.00 0.00 174.74 174.77 2kj6 s ILE 19 N 1.25 4.08 -0.23 0.60 1.01 -0.63 -1.40 121.20 125.89 2kj6 s ILE 19 Ca 0.09 -0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 2kj6 s ILE 19 Cb -0.18 -4.82 -0.02 0.00 0.01 0.00 0.00 42.46 37.45 2kj6 s ILE 19 CO -0.16 -1.66 0.68 0.42 0.00 0.00 0.00 174.94 174.23 2kj6 s THR 20 N 4.69 4.96 -0.08 2.92 -4.23 -0.16 -0.76 115.64 122.98 2kj6 s THR 20 Ca 0.30 1.27 -0.18 0.00 -1.18 0.00 0.00 61.69 61.90 2kj6 s THR 20 Cb -0.11 -3.99 -0.05 0.00 1.34 0.00 0.00 72.50 69.70 2kj6 s THR 20 CO 0.09 0.03 0.50 -2.28 -0.54 0.00 0.00 174.62 172.42 2kj6 s HIS 21 N 2.37 3.58 -0.01 3.99 2.46 -1.04 -1.25 115.29 125.40 2kj6 s HIS 21 Ca 0.29 0.98 -0.08 0.00 0.47 0.00 0.00 55.06 56.72 2kj6 s HIS 21 Cb -0.16 -2.53 -0.30 0.00 -0.13 0.00 0.00 32.58 29.46 2kj6 s HIS 21 CO 0.09 0.28 0.83 0.00 -2.47 0.00 0.00 174.74 173.47 2kj6 h ALA 22 N 6.20 0.15 -0.31 1.58 0.00 -1.84 -2.98 119.26 122.05 2kj6 h ALA 22 Ca -0.43 -1.07 0.04 0.00 0.00 0.00 0.00 54.91 53.45 2kj6 h ALA 22 Cb 1.19 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2kj6 h ALA 22 CO 0.72 1.01 0.07 -0.97 0.00 0.00 0.00 179.25 180.08 2kj6 h ASN 23 N 0.10 0.03 -3.86 0.00 -0.73 -1.87 -3.32 115.58 105.93 2kj6 h ASN 23 Ca -0.28 0.05 -0.64 0.00 1.87 0.00 0.00 56.30 57.30 2kj6 h ASN 23 Cb 2.07 0.06 -0.40 0.00 0.27 0.00 0.00 38.32 40.32 2kj6 h ASN 23 CO 0.19 0.05 -0.69 -0.76 -0.37 0.00 0.00 177.43 175.85 2kj6 s LEU 24 N -10.35 4.27 0.57 0.34 1.02 -1.25 -4.96 118.68 108.33 2kj6 s LEU 24 Ca -0.13 -2.43 0.35 0.00 0.02 0.00 0.00 54.13 51.94 2kj6 s LEU 24 Cb 0.12 -1.53 1.63 0.00 0.02 0.00 0.00 46.19 46.42 2kj6 s LEU 24 CO 0.70 -0.33 2.09 0.50 0.02 0.00 0.00 176.35 179.33 2kj6 h LYS 25 N 7.22 0.00 0.00 1.70 3.64 -1.62 0.53 116.57 128.04 2kj6 h LYS 25 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kj6 h LYS 25 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2kj6 h LYS 25 CO 0.57 0.02 0.00 0.45 -2.27 0.00 0.00 179.45 178.22 2kj6 n SER 26 N -3.16 0.00 -4.24 4.20 2.88 -1.26 -4.38 113.62 107.67 2kj6 n SER 26 Ca -0.01 -0.19 -0.43 0.00 -1.33 0.00 0.00 58.87 56.92 2kj6 n SER 26 Cb 0.25 -0.25 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.49 3.58 -0.35 0.66 5.36 0.18 -5.01 117.98 119.90 2kj6 s PHE 27 Ca 0.27 -2.19 -0.07 0.00 -0.96 0.00 0.00 56.93 53.97 2kj6 s PHE 27 Cb 0.17 -3.57 0.04 0.00 -0.34 0.00 0.00 43.02 39.32 2kj6 s PHE 27 CO 0.38 -0.94 0.13 0.45 -1.46 0.00 0.00 175.22 173.78 2kj6 s SER 28 N 1.79 5.40 -0.68 6.13 0.15 -1.26 -2.50 113.70 122.72 2kj6 s SER 28 Ca 0.15 -1.15 -0.27 0.00 0.70 0.00 0.00 55.95 55.38 2kj6 s SER 28 Cb -0.16 -1.90 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 2kj6 s SER 28 CO -0.06 -0.35 1.44 0.00 1.20 0.00 0.00 173.24 175.47 2kj6 s ALA 29 N 1.42 2.62 -0.34 5.45 0.00 0.06 -4.87 121.76 126.09 2kj6 s ALA 29 Ca -0.01 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 2kj6 s ALA 29 Cb -0.20 -4.25 -0.01 0.00 0.00 0.00 0.00 23.12 18.67 2kj6 s ALA 29 CO 0.03 -3.39 1.62 0.34 0.00 0.00 0.00 175.76 174.36 2kj6 s ASP 30 N 4.89 6.14 0.20 0.00 2.15 -1.26 -1.61 116.67 127.18 2kj6 s ASP 30 Ca 0.45 1.17 0.10 0.00 0.43 0.00 0.00 52.55 54.70 2kj6 s ASP 30 Cb -0.09 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2kj6 s ASP 30 CO 0.18 -1.53 -0.16 0.00 -0.17 0.00 0.00 175.17 173.49 2kj6 s ALA 31 N 6.05 2.78 -0.15 3.66 0.00 -0.60 -5.00 121.76 128.51 2kj6 s ALA 31 Ca 0.71 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2kj6 s ALA 31 Cb -0.19 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.46 2kj6 s ALA 31 CO 0.33 0.42 0.31 -0.98 0.00 0.00 0.00 175.76 175.83 2kj6 s ARG 32 N -2.89 0.20 0.03 0.00 1.70 -1.25 -0.29 118.95 116.44 2kj6 s ARG 32 Ca 0.24 0.82 0.00 0.00 -0.47 0.00 0.00 55.73 56.33 2kj6 s ARG 32 Cb -0.08 0.06 -0.00 0.00 -0.57 0.00 0.00 34.95 34.36 2kj6 s ARG 32 CO 0.13 -0.27 0.01 1.19 -1.08 0.00 0.00 175.30 175.28 2kj6 n PHE 33 N 5.33 -0.01 -3.63 5.89 3.72 -0.93 -4.86 117.46 122.97 2kj6 n PHE 33 Ca -0.07 -0.19 -0.32 0.00 -0.05 0.00 0.00 57.45 56.82 2kj6 n PHE 33 Cb 0.50 0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 2kj6 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kj6 s SER 34 N -1.17 6.52 0.37 4.37 1.04 -1.26 -0.01 113.70 123.56 2kj6 s SER 34 Ca 0.02 0.65 0.26 0.00 0.48 0.00 0.00 55.95 57.36 2kj6 s SER 34 Cb 0.00 -2.12 1.33 0.00 0.10 0.00 0.00 66.02 65.33 2kj6 s SER 34 CO 0.01 0.04 1.80 -0.65 0.98 0.00 0.00 173.24 175.43 2kj6 h PRO 35 N 2.83 0.00 0.00 4.02 0.11 -1.93 -1.23 132.00 135.79 2kj6 h PRO 35 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kj6 h PRO 35 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kj6 h PRO 35 CO 0.72 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.55 2kj6 n GLN 36 N -2.44 0.23 -2.05 1.05 1.13 -1.26 -1.19 117.38 112.85 2kj6 n GLN 36 Ca -0.01 0.26 -0.42 0.00 -1.94 0.00 0.00 57.00 54.90 2kj6 n GLN 36 Cb 0.11 -1.81 -0.03 0.00 0.11 0.00 0.00 30.24 28.62 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 2kj6 s MET 37 N -3.16 4.24 0.39 -1.09 1.75 -0.47 -4.51 119.30 116.45 2kj6 s MET 37 Ca 0.09 2.19 0.08 0.00 -1.25 0.00 0.00 55.69 56.79 2kj6 s MET 37 Cb 0.12 -3.52 -0.02 0.00 2.84 0.00 0.00 34.83 34.24 2kj6 s MET 37 CO 0.53 -0.64 0.33 -1.54 -0.65 0.00 0.00 175.02 173.05 2kj6 s SER 38 N 2.00 5.08 0.27 1.11 1.04 -1.26 -3.62 113.70 118.32 2kj6 s SER 38 Ca 0.69 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 56.50 2kj6 s SER 38 Cb -0.37 -0.70 0.37 0.00 0.10 0.00 0.00 66.02 65.41 2kj6 s SER 38 CO 0.30 -0.53 1.64 0.58 0.98 0.00 0.00 173.24 176.21 2kj6 h VAL 39 N 1.14 1.34 -0.62 5.02 2.07 -1.30 -2.70 116.25 121.20 2kj6 h VAL 39 Ca -0.43 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 65.46 2kj6 h VAL 39 Cb 1.26 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 2kj6 h VAL 39 CO 0.58 0.51 0.32 -0.08 0.02 0.00 0.00 177.57 178.92 2kj6 h GLU 40 N 0.20 0.57 -0.33 1.57 4.81 -1.03 -1.80 114.58 118.57 2kj6 h GLU 40 Ca 0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2kj6 h GLU 40 Cb 0.93 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2kj6 h GLU 40 CO 0.08 0.37 0.20 0.00 -0.73 0.00 0.00 179.01 178.93 2kj6 h ALA 41 N 1.35 0.42 -0.31 2.92 0.00 -1.74 -1.99 119.26 119.91 2kj6 h ALA 41 Ca 0.29 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2kj6 h ALA 41 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kj6 h ALA 41 CO -0.20 -0.15 -0.52 -0.24 0.00 0.00 0.00 179.25 178.13 2kj6 h VAL 42 N 0.41 1.27 -0.46 0.00 3.04 -1.37 0.25 116.25 119.39 2kj6 h VAL 42 Ca 0.13 -1.70 0.02 0.00 -1.01 0.00 0.00 66.70 64.13 2kj6 h VAL 42 Cb -0.02 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 30.82 2kj6 h VAL 42 CO -0.05 0.56 0.28 0.11 -1.01 0.00 0.00 177.57 177.46 2kj6 h LYS 43 N 0.69 0.55 -0.17 4.17 1.57 -1.23 -1.34 116.57 120.81 2kj6 h LYS 43 Ca 0.02 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2kj6 h LYS 43 Cb 1.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2kj6 h LYS 43 CO 0.12 0.36 -0.56 1.49 -0.57 0.00 0.00 179.45 180.29 2kj6 h GLU 44 N 0.57 0.53 -0.16 3.15 4.81 -1.28 -2.47 114.58 119.72 2kj6 h GLU 44 Ca 0.18 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2kj6 h GLU 44 Cb -0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2kj6 h GLU 44 CO -0.07 0.95 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.62 2kj6 h LYS 45 N 0.40 0.32 0.00 1.92 3.64 -0.54 0.44 116.57 122.76 2kj6 h LYS 45 Ca 0.00 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 2kj6 h LYS 45 Cb 1.11 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2kj6 h LYS 45 CO 0.10 0.61 -0.73 -0.07 -2.27 0.00 0.00 179.45 177.09 2kj6 h LEU 46 N 0.28 0.00 -0.15 5.20 3.38 -1.21 -2.09 115.31 120.72 2kj6 h LEU 46 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2kj6 h LEU 46 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2kj6 h LEU 46 CO 0.05 0.73 -0.17 -0.25 0.09 0.00 0.00 178.44 178.90 2kj6 h TRP 47 N 0.00 0.45 0.00 1.13 7.01 -0.90 -2.38 115.95 121.26 2kj6 h TRP 47 Ca -0.01 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.85 2kj6 h TRP 47 Cb 1.45 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.41 2kj6 h TRP 47 CO 0.00 0.78 0.00 0.36 -2.79 0.00 0.00 178.44 176.79 2kj6 n LYS 48 N -4.53 0.22 -0.00 2.65 2.85 0.08 -3.42 118.16 116.01 2kj6 n LYS 48 Ca -0.06 0.05 -0.07 0.00 -1.05 0.00 0.00 58.31 57.18 2kj6 n LYS 48 Cb 0.38 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.20 2kj6 n LYS 48 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2kj6 h LYS 49 N 0.00 -0.11 0.00 -1.58 1.63 -1.18 -3.48 116.57 111.85 2kj6 h LYS 49 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2kj6 h LYS 49 Cb 0.32 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2kj6 h LYS 49 CO 0.00 0.27 0.00 0.00 -3.45 0.00 0.00 179.45 176.27 2kj6 n GLY 51 N -0.16 0.00 3.44 0.00 0.00 -1.22 -5.00 105.19 102.26 2kj6 n GLY 51 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2kj6 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kj6 s THR 52 N 0.00 5.04 -1.04 2.61 2.01 -0.91 -4.78 115.64 118.57 2kj6 s THR 52 Ca 0.00 -2.30 0.25 0.00 0.31 0.00 0.00 61.69 59.96 2kj6 s THR 52 Cb 0.00 -4.81 0.23 0.00 0.01 0.00 0.00 72.50 67.93 2kj6 s THR 52 CO 0.00 -1.51 1.82 -1.20 -0.69 0.00 0.00 174.62 173.04 2kj6 n SER 53 N 5.64 0.00 -2.53 3.53 7.64 -1.26 -2.79 113.62 123.84 2kj6 n SER 53 Ca 0.29 0.45 -0.06 0.00 1.01 0.00 0.00 58.87 60.57 2kj6 n SER 53 Cb 0.45 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 63.18 2kj6 n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2kj6 n VAL 54 N -1.48 -9.07 0.00 0.44 0.31 -1.26 -4.98 118.33 102.28 2kj6 n VAL 54 Ca 0.07 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.13 2kj6 n VAL 54 Cb 0.29 -6.54 0.00 0.00 -0.91 0.00 0.00 33.84 26.68 2kj6 n VAL 54 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2kj6 n ASN 55 N -0.30 0.00 -1.10 4.52 5.15 -1.26 -4.78 115.26 117.49 2kj6 n ASN 55 Ca 0.09 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.18 2kj6 n ASN 55 Cb 0.34 -0.15 0.26 0.00 -0.53 0.00 0.00 39.78 39.71 2kj6 n ASN 55 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kj6 n SER 56 N -1.89 3.26 -4.51 1.20 2.88 -1.26 -4.79 113.62 108.52 2kj6 n SER 56 Ca 0.00 -1.96 -0.42 0.00 -1.33 0.00 0.00 58.87 55.15 2kj6 n SER 56 Cb 0.00 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2kj6 s MET 57 N -1.38 3.39 0.03 -1.46 -2.45 -1.26 -4.87 119.30 111.29 2kj6 s MET 57 Ca 0.40 -1.01 -0.30 0.00 -1.25 0.00 0.00 55.69 53.52 2kj6 s MET 57 Cb 0.22 -4.73 -0.05 0.00 1.25 0.00 0.00 34.83 31.52 2kj6 s MET 57 CO 0.30 -2.00 1.19 0.00 1.05 0.00 0.00 175.02 175.56 2kj6 s ALA 58 N 4.39 3.41 -0.35 4.11 0.00 -1.26 -4.91 121.76 127.15 2kj6 s ALA 58 Ca 0.35 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 2kj6 s ALA 58 Cb -0.07 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.67 2kj6 s ALA 58 CO 0.00 -0.51 0.09 -0.51 0.00 0.00 0.00 175.76 174.83 2kj6 s LEU 59 N 1.37 4.55 -0.04 0.00 1.43 -1.26 -0.48 118.68 124.26 2kj6 s LEU 59 Ca 0.58 -1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 51.68 2kj6 s LEU 59 Cb -0.28 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2kj6 s LEU 59 CO 0.27 -0.39 1.01 -1.61 0.23 0.00 0.00 176.35 175.87 2kj6 s GLU 60 N 1.16 4.50 -0.60 1.70 2.02 -0.11 -4.82 118.70 122.54 2kj6 s GLU 60 Ca 0.02 1.44 -0.21 0.00 0.02 0.00 0.00 54.97 56.25 2kj6 s GLU 60 Cb -0.21 -3.49 0.08 0.00 0.10 0.00 0.00 34.13 30.61 2kj6 s GLU 60 CO -0.03 -0.17 0.81 -1.17 0.02 0.00 0.00 175.26 174.72 2kj6 s LEU 61 N 1.42 4.82 -0.13 1.80 2.96 -1.26 -0.68 118.68 127.61 2kj6 s LEU 61 Ca 0.51 -1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2kj6 s LEU 61 Cb -0.21 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2kj6 s LEU 61 CO 0.24 -1.21 0.15 -0.31 -1.32 0.00 0.00 176.35 173.91 2kj6 s TYR 62 N 3.31 3.58 -0.34 5.38 1.51 -0.37 -1.37 117.35 129.04 2kj6 s TYR 62 Ca 0.18 0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 56.73 2kj6 s TYR 62 Cb -0.19 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.67 2kj6 s TYR 62 CO 0.10 0.67 2.86 -0.40 -1.11 0.00 0.00 175.55 177.67 2kj6 n ASP 63 N 2.19 6.21 -2.33 2.29 5.75 -1.19 0.30 116.55 129.78 2kj6 n ASP 63 Ca -0.19 -3.04 -0.03 0.00 -0.01 0.00 0.00 54.79 51.52 2kj6 n ASP 63 Cb 0.54 -1.25 0.02 0.00 -1.03 0.00 0.00 41.12 39.40 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 1.15 -4.67 -1.67 -1.12 2.03 -1.15 -4.00 116.55 107.13 2kj6 n ASP 64 Ca 0.45 -0.18 -0.18 0.00 0.52 0.00 0.00 54.79 55.41 2kj6 n ASP 64 Cb 0.63 -3.04 -0.06 0.00 -0.72 0.00 0.00 41.12 37.92 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 -1.82 -4.72 -0.03 1.67 7.64 -1.26 -4.83 113.62 110.26 2kj6 n SER 65 Ca -0.02 0.37 -0.02 0.00 1.01 0.00 0.00 58.87 60.21 2kj6 n SER 65 Cb 0.53 -4.20 -0.01 0.00 -1.01 0.00 0.00 64.21 59.52 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 -0.43 -0.69 3.28 0.23 0.00 -1.26 -5.07 105.19 101.25 2kj6 n GLY 66 Ca -0.18 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 2kj6 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kj6 s SER 67 N -4.59 0.69 -0.85 1.61 1.04 -1.26 -5.02 113.70 105.32 2kj6 s SER 67 Ca -0.08 -1.48 -0.16 0.00 0.48 0.00 0.00 55.95 54.71 2kj6 s SER 67 Cb 0.01 0.48 0.18 0.00 0.10 0.00 0.00 66.02 66.79 2kj6 s SER 67 CO 0.12 -0.98 0.88 -0.54 0.98 0.00 0.00 173.24 173.70 2kj6 s LYS 68 N -3.82 3.57 -0.17 4.02 1.02 -1.26 -3.15 119.74 119.95 2kj6 s LYS 68 Ca 0.38 -2.17 -0.01 0.00 0.02 0.00 0.00 55.97 54.18 2kj6 s LYS 68 Cb 0.04 -4.58 0.07 0.00 -0.52 0.00 0.00 37.83 32.84 2kj6 s LYS 68 CO 0.18 -1.46 2.24 1.33 -0.92 0.00 0.00 175.35 176.71 2kj6 n VAL 69 N 4.56 2.54 -2.48 3.17 0.24 -0.47 -4.83 118.33 121.06 2kj6 n VAL 69 Ca 0.16 -1.30 -0.40 0.00 -2.04 0.00 0.00 64.34 60.76 2kj6 n VAL 69 Cb 0.47 -1.49 -0.01 0.00 -1.47 0.00 0.00 33.84 31.34 2kj6 n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kj6 s ALA 70 N -0.81 3.01 -0.25 2.33 0.00 -1.23 -4.79 121.76 120.02 2kj6 s ALA 70 Ca 0.25 -2.75 -0.02 0.00 0.00 0.00 0.00 51.96 49.43 2kj6 s ALA 70 Cb 0.17 -4.65 0.12 0.00 0.00 0.00 0.00 23.12 18.75 2kj6 s ALA 70 CO -0.02 -3.69 0.26 0.54 0.00 0.00 0.00 175.76 172.85 2kj6 s VAL 71 N 5.58 -0.36 -0.40 0.00 0.11 -1.26 -5.01 120.40 119.06 2kj6 s VAL 71 Ca 0.57 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2kj6 s VAL 71 Cb 0.03 -0.85 0.11 0.00 -1.53 0.00 0.00 36.38 34.14 2kj6 s VAL 71 CO 0.09 -0.36 0.13 -0.22 -3.33 0.00 0.00 175.10 171.40 2kj6 s LEU 72 N 2.34 4.67 -0.21 2.54 2.96 -1.26 -4.93 118.68 124.79 2kj6 s LEU 72 Ca 0.09 -2.42 -0.21 0.00 -0.22 0.00 0.00 54.13 51.36 2kj6 s LEU 72 Cb -0.15 -1.65 -0.19 0.00 0.50 0.00 0.00 46.19 44.71 2kj6 s LEU 72 CO -0.24 -0.34 0.20 0.28 -1.32 0.00 0.00 176.35 174.93 2kj6 h SER 73 N 7.29 0.00 -3.19 3.68 0.02 -2.01 -3.44 113.55 115.91 2kj6 h SER 73 Ca -0.06 -0.49 -0.75 0.00 -0.84 0.00 0.00 61.79 59.66 2kj6 h SER 73 Cb 0.98 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.27 2kj6 h SER 73 CO 0.58 1.47 -0.29 -1.81 -1.14 0.00 0.00 176.83 175.64 2kj6 s ASP 74 N -6.82 6.02 -0.01 3.07 1.01 -1.26 -4.83 116.67 113.86 2kj6 s ASP 74 Ca -0.28 -1.77 0.09 0.00 0.71 0.00 0.00 52.55 51.30 2kj6 s ASP 74 Cb 0.06 -2.14 -0.13 0.00 1.01 0.00 0.00 42.92 41.72 2kj6 s ASP 74 CO 0.58 -0.78 0.28 -0.90 0.21 0.00 0.00 175.17 174.56 2kj6 n ASP 75 N 5.13 1.94 0.15 0.27 5.75 -1.26 -4.33 116.55 124.21 2kj6 n ASP 75 Ca -0.12 -0.27 0.12 0.00 -0.01 0.00 0.00 54.79 54.52 2kj6 n ASP 75 Cb 0.41 1.27 0.17 0.00 -1.03 0.00 0.00 41.12 41.94 2kj6 n ASP 75 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2kj6 h SER 76 N 0.00 0.00 -3.38 -1.12 0.87 -1.94 0.19 113.55 108.17 2kj6 h SER 76 Ca 0.00 -0.03 -0.55 0.00 -1.23 0.00 0.00 61.79 59.99 2kj6 h SER 76 Cb 0.35 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 2kj6 h SER 76 CO 0.00 0.01 -0.02 -0.13 -0.53 0.00 0.00 176.83 176.16 2kj6 s ARG 77 N -3.22 4.10 -0.11 2.24 1.81 -1.26 -4.83 118.95 117.67 2kj6 s ARG 77 Ca 0.06 0.64 -0.29 0.00 -1.72 0.00 0.00 55.73 54.42 2kj6 s ARG 77 Cb 0.08 -2.97 -0.06 0.00 -0.45 0.00 0.00 34.95 31.56 2kj6 s ARG 77 CO 0.69 0.48 1.94 -2.14 -0.68 0.00 0.00 175.30 175.59 2kj6 s PRO 78 N -1.82 3.74 0.36 3.54 0.02 -1.26 -4.54 135.00 135.04 2kj6 s PRO 78 Ca 0.38 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.61 2kj6 s PRO 78 Cb -0.16 -4.19 0.70 0.00 0.02 0.00 0.00 34.50 30.87 2kj6 s PRO 78 CO 0.20 -1.40 2.00 -0.07 -0.33 0.00 0.00 177.00 177.40 2kj6 h LEU 79 N 12.27 0.67 -1.37 -5.54 -0.00 -1.67 -1.86 115.31 117.82 2kj6 h LEU 79 Ca -0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2kj6 h LEU 79 Cb 1.21 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2kj6 h LEU 79 CO 0.96 0.47 0.00 1.23 -0.00 0.00 0.00 178.44 181.10 2kj6 h GLY 80 N 0.78 0.00 1.83 0.83 0.00 -1.24 -0.39 103.07 104.89 2kj6 h GLY 80 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 2kj6 h GLY 80 CO -0.07 0.00 -0.49 -2.75 0.00 0.00 0.00 176.54 173.23 2kj6 h PHE 81 N 0.00 0.22 0.00 5.60 3.57 -1.47 -3.32 116.94 121.54 2kj6 h PHE 81 Ca 0.00 -0.07 -0.20 0.00 3.53 0.00 0.00 57.97 61.23 2kj6 h PHE 81 Cb 0.32 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2kj6 h PHE 81 CO 0.00 0.64 -1.23 0.34 -2.23 0.00 0.00 178.31 175.83 2kj6 n PHE 82 N -3.96 0.85 -3.67 0.41 7.35 -0.70 -4.99 117.46 112.76 2kj6 n PHE 82 Ca -0.02 0.37 -0.09 0.00 -0.76 0.00 0.00 57.45 56.96 2kj6 n PHE 82 Cb 0.53 -1.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.27 2kj6 n PHE 82 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2kj6 s SER 83 N -6.65 -0.70 -0.22 -2.13 0.01 -0.24 -5.12 113.70 98.66 2kj6 s SER 83 Ca -0.27 1.18 -0.32 0.00 1.31 0.00 0.00 55.95 57.85 2kj6 s SER 83 Cb 0.06 1.10 -0.09 0.00 0.21 0.00 0.00 66.02 67.30 2kj6 s SER 83 CO 0.49 -0.22 2.12 -2.65 0.41 0.00 0.00 173.24 173.40 2kj6 n PRO 84 N 4.38 1.76 -2.28 12.44 -0.02 -1.26 -3.75 135.00 146.28 2kj6 n PRO 84 Ca -0.21 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 2kj6 n PRO 84 Cb 0.56 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 31.17 2kj6 n PRO 84 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2kj6 s PHE 85 N 6.81 2.12 -0.17 6.00 -0.71 -1.26 -4.94 117.98 125.84 2kj6 s PHE 85 Ca 1.01 -0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 56.85 2kj6 s PHE 85 Cb -0.60 -4.34 -0.03 0.00 -1.21 0.00 0.00 43.02 36.84 2kj6 s PHE 85 CO 0.44 -1.86 -0.01 0.34 -1.34 0.00 0.00 175.22 172.78 2kj6 s ASP 86 N 6.59 4.97 0.00 1.98 -1.08 -1.26 -4.29 116.67 123.58 2kj6 s ASP 86 Ca 0.59 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 2kj6 s ASP 86 Cb -0.04 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.59 2kj6 s ASP 86 CO -0.03 0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.42 2kj6 n GLY 87 N 3.65 2.09 3.73 2.66 0.00 0.29 -4.91 105.19 112.71 2kj6 n GLY 87 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.25 2.86 -0.25 1.61 0.08 -1.26 -2.91 117.98 114.85 2kj6 s PHE 88 Ca 0.00 0.60 -0.06 0.00 0.12 0.00 0.00 56.93 57.59 2kj6 s PHE 88 Cb 0.00 -4.07 -0.01 0.00 -0.57 0.00 0.00 43.02 38.37 2kj6 s PHE 88 CO 0.00 -3.82 0.04 1.03 -0.10 0.00 0.00 175.22 172.38 2kj6 s ARG 89 N 0.36 3.43 -0.63 0.44 0.52 0.15 -1.43 118.95 121.79 2kj6 s ARG 89 Ca 0.68 -0.62 -0.24 0.00 -0.52 0.00 0.00 55.73 55.04 2kj6 s ARG 89 Cb -0.48 -3.26 0.05 0.00 0.52 0.00 0.00 34.95 31.78 2kj6 s ARG 89 CO 0.39 -0.26 1.03 -0.51 0.02 0.00 0.00 175.30 175.97 2kj6 s LEU 90 N 1.55 4.01 -0.60 2.53 1.43 -0.49 -1.24 118.68 125.87 2kj6 s LEU 90 Ca 0.05 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 2kj6 s LEU 90 Cb -0.15 -2.63 0.06 0.00 0.03 0.00 0.00 46.19 43.49 2kj6 s LEU 90 CO 0.02 -1.44 0.91 -2.28 0.23 0.00 0.00 176.35 173.78 2kj6 s HIS 91 N 4.37 2.77 -0.42 0.29 2.46 0.15 -0.99 115.29 123.92 2kj6 s HIS 91 Ca 0.29 -0.37 -0.29 0.00 0.47 0.00 0.00 55.06 55.16 2kj6 s HIS 91 Cb -0.13 -4.12 0.02 0.00 -0.13 0.00 0.00 32.58 28.22 2kj6 s HIS 91 CO 0.15 -1.46 1.26 0.42 -2.47 0.00 0.00 174.74 172.64 2kj6 s ILE 92 N 3.81 4.10 -0.51 0.89 1.01 -0.38 -0.93 121.20 129.19 2kj6 s ILE 92 Ca 0.24 1.15 -0.28 0.00 0.00 0.00 0.00 60.65 61.76 2kj6 s ILE 92 Cb -0.16 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 37.94 2kj6 s ILE 92 CO 0.13 -0.80 1.48 -0.63 0.00 0.00 0.00 174.94 175.13 2kj6 s ILE 93 N 4.76 3.75 -1.02 2.92 -1.09 0.37 -2.60 121.20 128.29 2kj6 s ILE 93 Ca 0.54 0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 59.44 2kj6 s ILE 93 Cb -0.11 -4.28 0.10 0.00 -1.58 0.00 0.00 42.46 36.59 2kj6 s ILE 93 CO 0.30 -0.99 1.33 -1.81 -1.23 0.00 0.00 174.94 172.54 2kj6 s ASP 94 N 4.76 6.64 0.00 3.58 1.01 -1.26 -4.26 116.67 127.14 2kj6 s ASP 94 Ca 0.58 -1.95 0.23 0.00 0.71 0.00 0.00 52.55 52.11 2kj6 s ASP 94 Cb -0.12 -2.48 0.50 0.00 1.01 0.00 0.00 42.92 41.83 2kj6 s ASP 94 CO 0.27 -1.21 1.43 0.00 0.21 0.00 0.00 175.17 175.88 2kj6 n LEU 95 N 7.49 2.92 -4.57 1.23 -0.00 -1.26 -4.80 117.00 118.00 2kj6 n LEU 95 Ca 0.31 -1.23 -0.38 0.00 -0.00 0.00 0.00 56.01 54.71 2kj6 n LEU 95 Cb 0.49 -0.19 -0.11 0.00 -0.00 0.00 0.00 43.42 43.61 2kj6 n LEU 95 CO 0.60 0.61 -0.18 -0.62 -0.00 0.00 0.00 177.39 177.80 2kj6 s ASP 96 N -1.55 5.90 0.00 1.45 2.15 -1.26 -5.19 116.67 118.17 2kj6 s ASP 96 Ca 0.36 -0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.41 2kj6 s ASP 96 Cb 0.21 -2.09 0.79 0.00 -0.30 0.00 0.00 42.92 41.52 2kj6 s ASP 96 CO 0.30 -0.06 1.21 -2.65 -0.17 0.00 0.00 175.17 173.80