#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 -1.76 2.75 3.03 0.00 -1.26 -4.93 105.19 103.02 2kj6 n GLY 2 Ca 0.00 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 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 0.16 -0.37 1.61 5.65 -1.26 -5.10 115.29 115.98 2kj6 s HIS 3 Ca 0.00 0.11 -0.29 0.00 0.25 0.00 0.00 55.06 55.14 2kj6 s HIS 3 Cb 0.00 -0.40 -0.00 0.00 -1.18 0.00 0.00 32.58 31.00 2kj6 s HIS 3 CO 0.00 -0.15 1.53 -1.01 -0.65 0.00 0.00 174.74 174.47 2kj6 s HIS 4 N 1.46 2.22 0.03 3.88 4.02 -1.26 -4.96 115.29 120.67 2kj6 s HIS 4 Ca -0.04 0.66 -0.30 0.00 1.02 0.00 0.00 55.06 56.39 2kj6 s HIS 4 Cb -0.13 -4.22 -0.07 0.00 -1.02 0.00 0.00 32.58 27.14 2kj6 s HIS 4 CO -0.03 -2.32 1.50 -1.58 1.02 0.00 0.00 174.74 173.33 2kj6 s HIS 5 N 5.80 2.69 0.03 1.40 5.65 -1.26 -4.95 115.29 124.65 2kj6 s HIS 5 Ca 0.67 0.63 -0.01 0.00 0.25 0.00 0.00 55.06 56.60 2kj6 s HIS 5 Cb -0.17 -3.78 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 2kj6 s HIS 5 CO 0.32 -2.99 0.06 -2.39 -0.65 0.00 0.00 174.74 169.09 2kj6 n HIS 6 N 5.45 -1.04 -2.73 3.88 -0.00 -1.26 -5.12 115.22 114.41 2kj6 n HIS 6 Ca 0.14 -0.15 -0.43 0.00 -0.00 0.00 0.00 57.72 57.28 2kj6 n HIS 6 Cb 0.42 0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 2kj6 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kj6 s HIS 7 N -8.02 3.24 0.07 -1.40 4.02 -1.26 -4.91 115.29 107.03 2kj6 s HIS 7 Ca 0.01 1.22 -0.16 0.00 1.02 0.00 0.00 55.06 57.16 2kj6 s HIS 7 Cb -0.00 -3.39 -0.16 0.00 -1.02 0.00 0.00 32.58 28.01 2kj6 s HIS 7 CO 0.01 -0.59 1.28 1.25 1.02 0.00 0.00 174.74 177.71 2kj6 h HIS 8 N 7.82 0.83 -1.74 1.40 -0.00 -2.00 -3.46 115.15 118.00 2kj6 h HIS 8 Ca -0.21 -0.34 0.06 0.00 -0.00 0.00 0.00 60.37 59.88 2kj6 h HIS 8 Cb 1.07 -0.14 -0.24 0.00 -0.00 0.00 0.00 27.41 28.10 2kj6 h HIS 8 CO 0.79 1.13 0.24 -1.54 -0.00 0.00 0.00 177.93 178.55 2kj6 s SER 9 N -6.76 -0.68 0.00 3.26 1.04 -1.26 -5.10 113.70 104.20 2kj6 s SER 9 Ca -0.12 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2kj6 s SER 9 Cb 0.07 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.44 2kj6 s SER 9 CO 0.85 -0.18 0.00 1.57 0.98 0.00 0.00 173.24 176.46 2kj6 n HIS 10 N 3.65 0.00 -3.61 5.02 -0.00 -1.26 -5.09 115.22 113.94 2kj6 n HIS 10 Ca -0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.34 2kj6 n HIS 10 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.57 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kj6 n GLY 11 N -0.09 -1.22 3.45 1.57 0.00 -1.26 -4.77 105.19 102.87 2kj6 n GLY 11 Ca 0.00 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.20 2kj6 n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kj6 n ASP 12 N -2.38 3.52 -3.28 1.61 9.92 -1.26 -4.30 116.55 120.38 2kj6 n ASP 12 Ca -0.19 -2.76 -0.27 0.00 -0.53 0.00 0.00 54.79 51.03 2kj6 n ASP 12 Cb 0.62 -1.64 0.03 0.00 -0.64 0.00 0.00 41.12 39.49 2kj6 n ASP 12 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kj6 n ASP 13 N 11.20 -6.38 -4.55 -2.24 8.00 -1.26 -4.00 116.55 117.32 2kj6 n ASP 13 Ca 0.47 0.06 -0.35 0.00 0.71 0.00 0.00 54.79 55.68 2kj6 n ASP 13 Cb 0.45 -3.02 -0.03 0.00 -0.02 0.00 0.00 41.12 38.50 2kj6 n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kj6 s SER 14 N -1.93 4.92 0.22 -2.24 1.04 -1.26 -4.04 113.70 110.41 2kj6 s SER 14 Ca 0.32 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 2kj6 s SER 14 Cb -0.05 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 2kj6 s SER 14 CO 0.84 -2.65 1.08 0.68 0.98 0.00 0.00 173.24 174.17 2kj6 s VAL 15 N 10.45 3.74 -0.65 5.02 -7.23 -0.82 -4.86 120.40 126.05 2kj6 s VAL 15 Ca 0.78 1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 62.41 2kj6 s VAL 15 Cb -0.13 -4.03 0.15 0.00 0.56 0.00 0.00 36.38 32.92 2kj6 s VAL 15 CO 0.20 0.33 0.65 -1.00 -0.31 0.00 0.00 175.10 174.98 2kj6 s HIS 16 N -0.71 3.31 -0.38 2.82 3.76 -1.26 -3.23 115.29 119.60 2kj6 s HIS 16 Ca 0.46 -1.40 -0.18 0.00 -0.15 0.00 0.00 55.06 53.80 2kj6 s HIS 16 Cb -0.30 -3.89 0.01 0.00 1.11 0.00 0.00 32.58 29.51 2kj6 s HIS 16 CO 0.37 -1.11 0.50 -0.51 -0.85 0.00 0.00 174.74 173.15 2kj6 s LEU 17 N 1.56 4.52 -0.30 0.89 1.43 0.58 -4.74 118.68 122.62 2kj6 s LEU 17 Ca 0.11 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.69 2kj6 s LEU 17 Cb -0.22 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2kj6 s LEU 17 CO 0.00 -0.55 0.81 -1.00 0.23 0.00 0.00 176.35 175.84 2kj6 s HIS 18 N 2.38 3.21 -0.16 0.29 3.76 -1.23 -0.77 115.29 122.77 2kj6 s HIS 18 Ca 0.17 0.88 -0.15 0.00 -0.15 0.00 0.00 55.06 55.81 2kj6 s HIS 18 Cb -0.16 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 2kj6 s HIS 18 CO 0.14 -0.55 0.36 0.42 -0.85 0.00 0.00 174.74 174.26 2kj6 s ILE 19 N 2.98 5.25 -0.09 0.60 -1.09 0.13 -1.66 121.20 127.32 2kj6 s ILE 19 Ca 0.33 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 2kj6 s ILE 19 Cb -0.14 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 2kj6 s ILE 19 CO 0.12 0.35 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.21 2kj6 s THR 20 N 0.66 0.93 -0.08 2.92 2.01 -0.64 -1.29 115.64 120.14 2kj6 s THR 20 Ca 0.20 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 2kj6 s THR 20 Cb -0.14 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2kj6 s THR 20 CO 0.06 0.34 0.25 -1.00 -0.69 0.00 0.00 174.62 173.58 2kj6 s HIS 21 N 1.34 3.62 0.37 4.92 3.76 -1.25 -0.79 115.29 127.26 2kj6 s HIS 21 Ca -0.03 0.70 0.33 0.00 -0.15 0.00 0.00 55.06 55.91 2kj6 s HIS 21 Cb -0.14 -2.12 1.61 0.00 1.11 0.00 0.00 32.58 33.04 2kj6 s HIS 21 CO -0.04 0.63 2.10 0.00 -0.85 0.00 0.00 174.74 176.58 2kj6 h ALA 22 N 5.15 1.13 0.00 -1.40 0.00 -1.84 -2.34 119.26 119.96 2kj6 h ALA 22 Ca -0.52 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2kj6 h ALA 22 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2kj6 h ALA 22 CO 0.62 0.09 -0.58 -0.97 0.00 0.00 0.00 179.25 178.41 2kj6 h ASN 23 N 0.00 0.00 -3.22 0.00 -0.73 -1.88 -3.43 115.58 106.32 2kj6 h ASN 23 Ca -0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.63 2kj6 h ASN 23 Cb 0.34 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 38.53 2kj6 h ASN 23 CO 0.01 0.58 -0.76 -0.76 -0.37 0.00 0.00 177.43 176.12 2kj6 s LEU 24 N -6.68 1.51 0.17 0.34 1.43 -0.88 -4.97 118.68 109.59 2kj6 s LEU 24 Ca 0.02 -1.11 0.23 0.00 -1.03 0.00 0.00 54.13 52.25 2kj6 s LEU 24 Cb 0.09 -0.69 0.90 0.00 0.03 0.00 0.00 46.19 46.52 2kj6 s LEU 24 CO 0.75 -0.34 1.71 2.29 0.23 0.00 0.00 176.35 180.99 2kj6 n LYS 25 N 4.99 0.15 0.00 1.70 2.85 -1.26 -1.51 118.16 125.08 2kj6 n LYS 25 Ca -0.07 0.28 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 2kj6 n LYS 25 Cb 0.45 -1.74 0.40 0.00 -0.65 0.00 0.00 35.03 33.49 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 -2.02 0.59 -4.50 -5.58 2.88 -1.26 -4.76 113.62 98.96 2kj6 n SER 26 Ca 0.04 -0.41 -0.42 0.00 -1.33 0.00 0.00 58.87 56.74 2kj6 n SER 26 Cb 0.29 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 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 -2.75 2.71 -0.51 0.66 5.36 -0.57 -4.89 117.98 118.00 2kj6 s PHE 27 Ca 0.19 -0.86 0.03 0.00 -0.96 0.00 0.00 56.93 55.33 2kj6 s PHE 27 Cb 0.19 -4.48 0.13 0.00 -0.34 0.00 0.00 43.02 38.52 2kj6 s PHE 27 CO 0.58 -1.76 0.27 -1.12 -1.46 0.00 0.00 175.22 171.73 2kj6 s SER 28 N 4.13 4.12 -0.00 6.13 0.01 -1.26 -3.74 113.70 123.09 2kj6 s SER 28 Ca 0.36 -2.95 -0.02 0.00 1.31 0.00 0.00 55.95 54.65 2kj6 s SER 28 Cb -0.06 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 2kj6 s SER 28 CO -0.03 -0.23 0.18 0.00 0.41 0.00 0.00 173.24 173.57 2kj6 s ALA 29 N -0.17 3.94 -0.30 1.44 0.00 -0.42 -4.90 121.76 121.37 2kj6 s ALA 29 Ca 0.18 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 2kj6 s ALA 29 Cb -0.24 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2kj6 s ALA 29 CO -0.01 0.75 0.16 0.34 0.00 0.00 0.00 175.76 177.01 2kj6 s ASP 30 N -1.98 5.68 -0.11 0.00 2.15 -1.26 0.19 116.67 121.35 2kj6 s ASP 30 Ca 0.28 -0.33 0.01 0.00 0.43 0.00 0.00 52.55 52.93 2kj6 s ASP 30 Cb -0.13 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.43 2kj6 s ASP 30 CO 0.19 -0.14 -0.13 0.00 -0.17 0.00 0.00 175.17 174.92 2kj6 s ALA 31 N 1.67 2.63 0.06 3.66 0.00 0.05 -4.96 121.76 124.86 2kj6 s ALA 31 Ca 0.06 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.16 2kj6 s ALA 31 Cb -0.17 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2kj6 s ALA 31 CO 0.08 0.33 -0.10 -0.98 0.00 0.00 0.00 175.76 175.09 2kj6 s ARG 32 N 0.06 2.27 0.36 0.00 1.70 -1.25 -0.30 118.95 121.78 2kj6 s ARG 32 Ca -0.05 -0.91 -0.15 0.00 -0.47 0.00 0.00 55.73 54.15 2kj6 s ARG 32 Cb -0.15 -2.36 0.06 0.00 -0.57 0.00 0.00 34.95 31.93 2kj6 s ARG 32 CO 0.04 0.54 0.77 0.34 -1.08 0.00 0.00 175.30 175.92 2kj6 n PHE 33 N 1.11 -2.22 -3.06 5.89 7.35 -1.20 -4.93 117.46 120.39 2kj6 n PHE 33 Ca -0.14 -1.72 -0.39 0.00 -0.76 0.00 0.00 57.45 54.43 2kj6 n PHE 33 Cb 0.52 0.86 -0.06 0.00 0.35 0.00 0.00 39.48 41.15 2kj6 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2kj6 s SER 34 N -3.00 7.30 0.44 -2.13 1.04 -1.26 -1.95 113.70 114.14 2kj6 s SER 34 Ca 0.16 1.54 0.30 0.00 0.48 0.00 0.00 55.95 58.43 2kj6 s SER 34 Cb -0.05 -2.46 1.36 0.00 0.10 0.00 0.00 66.02 64.98 2kj6 s SER 34 CO 0.11 0.23 1.91 -0.65 0.98 0.00 0.00 173.24 175.81 2kj6 h PRO 35 N 4.40 0.00 -0.73 4.02 0.11 -1.72 -2.79 132.00 135.29 2kj6 h PRO 35 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kj6 h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kj6 h PRO 35 CO 0.65 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.48 2kj6 n GLN 36 N -2.69 1.40 -2.52 1.05 6.02 -1.26 -0.98 117.38 118.39 2kj6 n GLN 36 Ca 0.00 -0.36 -0.38 0.00 -0.01 0.00 0.00 57.00 56.26 2kj6 n GLN 36 Cb 0.21 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.38 4.33 0.11 -1.09 1.75 -1.06 -4.66 119.30 117.30 2kj6 s MET 37 Ca 0.06 1.61 0.10 0.00 -1.25 0.00 0.00 55.69 56.22 2kj6 s MET 37 Cb 0.04 -2.77 -0.04 0.00 2.84 0.00 0.00 34.83 34.90 2kj6 s MET 37 CO 0.02 -0.02 -0.24 -1.12 -0.65 0.00 0.00 175.02 173.02 2kj6 s SER 38 N -1.32 3.46 0.37 1.11 0.01 -1.26 -3.00 113.70 113.07 2kj6 s SER 38 Ca 0.53 -0.67 0.10 0.00 1.31 0.00 0.00 55.95 57.22 2kj6 s SER 38 Cb -0.26 -0.33 0.71 0.00 0.21 0.00 0.00 66.02 66.36 2kj6 s SER 38 CO 0.32 0.19 1.85 0.58 0.41 0.00 0.00 173.24 176.60 2kj6 h VAL 39 N 3.85 1.23 -0.60 3.43 2.07 -0.75 -1.92 116.25 123.56 2kj6 h VAL 39 Ca -0.50 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.04 2kj6 h VAL 39 Cb 1.17 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 2kj6 h VAL 39 CO 0.42 0.32 0.23 -0.08 0.02 0.00 0.00 177.57 178.48 2kj6 h GLU 40 N 0.14 0.41 -0.66 1.57 4.81 -1.48 -2.04 114.58 117.34 2kj6 h GLU 40 Ca 0.02 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2kj6 h GLU 40 Cb 0.54 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2kj6 h GLU 40 CO 0.04 0.27 0.43 0.00 -0.73 0.00 0.00 179.01 179.02 2kj6 h ALA 41 N 1.40 0.83 -0.05 2.92 0.00 -1.62 0.42 119.26 123.17 2kj6 h ALA 41 Ca 0.30 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2kj6 h ALA 41 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kj6 h ALA 41 CO -0.28 0.26 -0.59 -0.24 0.00 0.00 0.00 179.25 178.40 2kj6 h VAL 42 N 0.89 1.40 -0.30 0.00 3.04 -1.41 -0.43 116.25 119.43 2kj6 h VAL 42 Ca 0.24 -1.97 -0.14 0.00 -1.01 0.00 0.00 66.70 63.81 2kj6 h VAL 42 Cb -0.10 2.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2kj6 h VAL 42 CO -0.05 0.58 -0.37 0.11 -1.01 0.00 0.00 177.57 176.82 2kj6 h LYS 43 N 0.12 0.79 -0.88 4.17 1.57 -0.76 0.74 116.57 122.33 2kj6 h LYS 43 Ca -0.00 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2kj6 h LYS 43 Cb 1.07 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2kj6 h LYS 43 CO 0.09 1.07 0.58 0.93 -0.57 0.00 0.00 179.45 181.55 2kj6 h GLU 44 N 0.55 1.14 0.08 3.15 5.08 -0.77 0.97 114.58 124.79 2kj6 h GLU 44 Ca 0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kj6 h GLU 44 Cb 0.96 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2kj6 h GLU 44 CO 0.09 0.75 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.59 2kj6 h LYS 45 N 1.17 -0.11 -0.71 2.33 3.64 -0.79 -1.68 116.57 120.42 2kj6 h LYS 45 Ca 0.33 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2kj6 h LYS 45 Cb -0.11 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2kj6 h LYS 45 CO -0.08 0.06 0.23 -0.07 -2.27 0.00 0.00 179.45 177.32 2kj6 h LEU 46 N -0.26 1.02 -0.49 5.20 3.38 -0.68 0.14 115.31 123.62 2kj6 h LEU 46 Ca -0.01 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2kj6 h LEU 46 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2kj6 h LEU 46 CO 0.02 0.95 0.23 -0.25 0.09 0.00 0.00 178.44 179.47 2kj6 h TRP 47 N 1.03 0.41 0.00 1.13 7.01 -0.67 0.21 115.95 125.08 2kj6 h TRP 47 Ca 0.23 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 61.06 2kj6 h TRP 47 Cb 0.28 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 2kj6 h TRP 47 CO 0.02 0.19 -0.90 0.87 -2.79 0.00 0.00 178.44 175.83 2kj6 h LYS 48 N 0.45 0.00 0.00 2.65 1.57 -1.11 -3.39 116.57 116.73 2kj6 h LYS 48 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2kj6 h LYS 48 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kj6 h LYS 48 CO -0.18 0.90 0.00 1.17 -0.57 0.00 0.00 179.45 180.77 2kj6 n LYS 49 N -3.45 0.00 0.17 3.15 3.00 0.47 -5.01 118.16 116.49 2kj6 n LYS 49 Ca -0.00 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2kj6 n LYS 49 Cb 0.86 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.95 2kj6 n LYS 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kj6 s GLY 51 N -3.11 0.72 0.09 0.00 0.00 -0.57 -4.69 107.32 99.76 2kj6 s GLY 51 Ca 0.00 -2.37 -0.15 0.00 0.00 0.00 0.00 44.72 42.21 2kj6 s GLY 51 CO 0.00 3.23 1.34 -0.84 0.00 0.00 0.00 173.10 176.83 2kj6 h THR 52 N 6.09 1.31 -3.70 0.90 2.02 -1.79 -3.18 112.91 114.55 2kj6 h THR 52 Ca 0.28 -1.71 -0.63 0.00 0.77 0.00 0.00 66.41 65.12 2kj6 h THR 52 Cb 0.92 1.83 -0.38 0.00 -1.74 0.00 0.00 68.15 68.78 2kj6 h THR 52 CO 1.31 0.54 -0.78 -0.94 0.37 0.00 0.00 175.52 176.02 2kj6 s SER 53 N -6.77 4.16 -0.81 4.18 1.04 -1.26 -4.80 113.70 109.43 2kj6 s SER 53 Ca -0.12 -1.37 -0.25 0.00 0.48 0.00 0.00 55.95 54.69 2kj6 s SER 53 Cb 0.08 -1.34 0.04 0.00 0.10 0.00 0.00 66.02 64.90 2kj6 s SER 53 CO 0.86 -0.24 1.29 0.68 0.98 0.00 0.00 173.24 176.81 2kj6 s VAL 54 N 1.25 3.86 -0.08 5.02 -7.23 -1.26 -4.76 120.40 117.20 2kj6 s VAL 54 Ca -0.05 -0.03 -0.10 0.00 -1.81 0.00 0.00 61.98 60.00 2kj6 s VAL 54 Cb -0.19 -4.93 -0.04 0.00 0.56 0.00 0.00 36.38 31.78 2kj6 s VAL 54 CO -0.07 -1.83 -0.20 -3.20 -0.31 0.00 0.00 175.10 169.49 2kj6 n ASN 55 N 9.01 1.52 -0.49 4.85 5.15 -1.26 -4.69 115.26 129.35 2kj6 n ASN 55 Ca 0.11 0.24 0.09 0.00 -0.60 0.00 0.00 54.58 54.42 2kj6 n ASN 55 Cb 0.49 -0.56 0.33 0.00 -0.53 0.00 0.00 39.78 39.52 2kj6 n ASN 55 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kj6 n SER 56 N -4.00 1.47 -3.73 1.20 7.64 -1.26 -4.57 113.62 110.37 2kj6 n SER 56 Ca -0.12 -1.75 -0.29 0.00 1.01 0.00 0.00 58.87 57.72 2kj6 n SER 56 Cb 0.37 -0.12 -0.16 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.76 0.70 -0.18 1.43 -2.45 -1.25 -1.31 119.30 114.48 2kj6 s MET 57 Ca 0.29 -0.81 -0.10 0.00 -1.25 0.00 0.00 55.69 53.82 2kj6 s MET 57 Cb 0.15 -1.99 -0.05 0.00 1.25 0.00 0.00 34.83 34.19 2kj6 s MET 57 CO 0.23 -0.85 0.16 0.00 1.05 0.00 0.00 175.02 175.60 2kj6 s ALA 58 N 1.73 3.71 -0.70 4.11 0.00 -0.41 -4.88 121.76 125.31 2kj6 s ALA 58 Ca 0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 2kj6 s ALA 58 Cb -0.17 -2.18 0.14 0.00 0.00 0.00 0.00 23.12 20.91 2kj6 s ALA 58 CO -0.20 0.23 0.77 -0.51 0.00 0.00 0.00 175.76 176.06 2kj6 s LEU 59 N 0.12 5.74 -0.35 0.00 1.43 -1.26 -0.74 118.68 123.62 2kj6 s LEU 59 Ca 0.11 -1.87 -0.20 0.00 -1.03 0.00 0.00 54.13 51.14 2kj6 s LEU 59 Cb -0.12 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2kj6 s LEU 59 CO 0.00 -0.95 0.61 -1.61 0.23 0.00 0.00 176.35 174.63 2kj6 s GLU 60 N 1.98 3.68 -0.39 1.70 0.41 -1.18 -4.96 118.70 119.94 2kj6 s GLU 60 Ca 0.16 0.02 -0.14 0.00 -0.41 0.00 0.00 54.97 54.60 2kj6 s GLU 60 Cb -0.18 -3.81 0.01 0.00 -1.78 0.00 0.00 34.13 28.37 2kj6 s GLU 60 CO -0.00 -0.71 0.28 -1.17 -0.49 0.00 0.00 175.26 173.17 2kj6 s LEU 61 N 2.64 4.92 0.17 1.80 2.96 -1.26 -1.34 118.68 128.58 2kj6 s LEU 61 Ca 0.23 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2kj6 s LEU 61 Cb -0.15 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 2kj6 s LEU 61 CO 0.14 -0.38 0.38 -0.31 -1.32 0.00 0.00 176.35 174.86 2kj6 s TYR 62 N 1.69 3.48 0.63 5.38 1.51 -0.23 -0.84 117.35 128.98 2kj6 s TYR 62 Ca 0.05 0.41 0.07 0.00 -1.01 0.00 0.00 57.07 56.60 2kj6 s TYR 62 Cb -0.18 -1.90 0.11 0.00 -0.11 0.00 0.00 41.96 39.88 2kj6 s TYR 62 CO 0.10 0.41 0.87 -0.40 -1.11 0.00 0.00 175.55 175.42 2kj6 n ASP 63 N -0.35 1.95 0.21 2.29 5.75 0.30 -1.33 116.55 125.37 2kj6 n ASP 63 Ca -0.04 -2.46 0.07 0.00 -0.01 0.00 0.00 54.79 52.35 2kj6 n ASP 63 Cb 0.53 -0.49 0.48 0.00 -1.03 0.00 0.00 41.12 40.60 2kj6 n ASP 63 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kj6 h ASP 64 N -0.09 0.00 0.02 -1.12 3.58 -1.81 -2.70 116.42 114.30 2kj6 h ASP 64 Ca -0.29 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.99 2kj6 h ASP 64 Cb 1.27 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 2kj6 h ASP 64 CO 0.39 0.28 -0.60 0.28 -2.88 0.00 0.00 179.24 176.71 2kj6 h SER 65 N 0.00 0.66 0.00 2.28 0.02 -1.95 -3.47 113.55 111.09 2kj6 h SER 65 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2kj6 h SER 65 Cb 0.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2kj6 h SER 65 CO 0.04 1.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.44 2kj6 n GLY 66 N 0.35 1.97 3.55 -3.77 0.00 -1.02 -5.14 105.19 101.13 2kj6 n GLY 66 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 4.22 -0.28 1.61 0.01 -1.26 -4.89 113.70 111.11 2kj6 s SER 67 Ca 0.00 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.52 2kj6 s SER 67 Cb 0.00 -0.73 0.01 0.00 0.21 0.00 0.00 66.02 65.51 2kj6 s SER 67 CO 0.00 0.17 0.97 -1.59 0.41 0.00 0.00 173.24 173.19 2kj6 s LYS 68 N -2.29 4.11 0.00 12.44 0.00 -1.26 -0.54 119.74 132.21 2kj6 s LYS 68 Ca 0.21 1.03 0.11 0.00 0.00 0.00 0.00 55.97 57.32 2kj6 s LYS 68 Cb -0.11 -3.69 0.32 0.00 0.00 0.00 0.00 37.83 34.35 2kj6 s LYS 68 CO 0.13 -0.72 1.27 1.33 0.00 0.00 0.00 175.35 177.36 2kj6 n VAL 69 N 5.55 0.99 -2.24 1.79 0.24 -0.02 -4.95 118.33 119.70 2kj6 n VAL 69 Ca 0.09 -1.00 -0.40 0.00 -2.04 0.00 0.00 64.34 60.99 2kj6 n VAL 69 Cb 0.47 0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.00 2.57 -0.06 2.33 0.00 -1.19 -4.95 121.76 119.46 2kj6 s ALA 70 Ca 0.25 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2kj6 s ALA 70 Cb 0.13 -4.19 0.03 0.00 0.00 0.00 0.00 23.12 19.09 2kj6 s ALA 70 CO 0.17 -3.31 0.05 0.54 0.00 0.00 0.00 175.76 173.21 2kj6 s VAL 71 N 7.25 0.01 -1.32 0.00 0.11 -1.26 -4.95 120.40 120.23 2kj6 s VAL 71 Ca 0.59 0.29 -0.14 0.00 -2.93 0.00 0.00 61.98 59.78 2kj6 s VAL 71 Cb -0.12 -0.29 0.10 0.00 -1.53 0.00 0.00 36.38 34.54 2kj6 s VAL 71 CO 0.23 0.15 1.84 0.18 -3.33 0.00 0.00 175.10 174.16 2kj6 n LEU 72 N 5.26 5.86 -0.01 2.54 7.99 -1.26 -4.29 117.00 133.09 2kj6 n LEU 72 Ca -0.04 -4.23 -0.02 0.00 -0.01 0.00 0.00 56.01 51.70 2kj6 n LEU 72 Cb 0.50 -1.65 -0.01 0.00 -0.11 0.00 0.00 43.42 42.15 2kj6 n LEU 72 CO 0.07 0.77 -0.58 -1.20 -1.51 0.00 0.00 177.39 174.95 2kj6 n SER 73 N 6.31 2.10 -4.02 -1.43 7.64 -1.26 -4.87 113.62 118.10 2kj6 n SER 73 Ca 0.45 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 60.02 2kj6 n SER 73 Cb 0.41 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 2kj6 n SER 73 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kj6 s ASP 74 N -4.70 5.26 0.03 6.43 1.01 -1.26 -4.85 116.67 118.59 2kj6 s ASP 74 Ca -0.03 -3.53 0.22 0.00 0.71 0.00 0.00 52.55 49.92 2kj6 s ASP 74 Cb 0.01 -1.78 -0.17 0.00 1.01 0.00 0.00 42.92 42.00 2kj6 s ASP 74 CO 0.05 -0.19 0.77 -0.90 0.21 0.00 0.00 175.17 175.11 2kj6 n ASP 75 N 2.51 0.43 -1.74 0.27 5.68 -1.26 -4.22 116.55 118.22 2kj6 n ASP 75 Ca 0.16 -0.13 0.06 0.00 -0.50 0.00 0.00 54.79 54.39 2kj6 n ASP 75 Cb 0.36 1.30 0.36 0.00 -1.14 0.00 0.00 41.12 42.00 2kj6 n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2kj6 n SER 76 N -2.15 5.20 -4.57 -1.12 7.64 -1.26 -0.12 113.62 117.24 2kj6 n SER 76 Ca -0.01 -2.82 -0.28 0.00 1.01 0.00 0.00 58.87 56.78 2kj6 n SER 76 Cb 0.50 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 62.94 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kj6 s ARG 77 N -2.55 2.06 -0.61 1.43 1.81 -1.26 -4.99 118.95 114.84 2kj6 s ARG 77 Ca 0.48 -1.19 -0.27 0.00 -1.72 0.00 0.00 55.73 53.04 2kj6 s ARG 77 Cb 0.37 -2.20 -0.01 0.00 -0.45 0.00 0.00 34.95 32.66 2kj6 s ARG 77 CO 0.14 0.46 1.69 -1.25 -0.68 0.00 0.00 175.30 175.66 2kj6 s PRO 78 N -2.60 2.87 0.40 3.54 0.04 -1.26 -4.24 135.00 133.75 2kj6 s PRO 78 Ca 0.23 0.50 0.10 0.00 0.04 0.00 0.00 61.00 61.88 2kj6 s PRO 78 Cb -0.10 -4.30 0.84 0.00 0.04 0.00 0.00 34.50 30.98 2kj6 s PRO 78 CO 0.14 -2.45 1.95 -0.07 0.04 0.00 0.00 177.00 176.61 2kj6 h LEU 79 N 15.16 0.20 -0.10 -3.56 3.38 -1.63 -1.93 115.31 126.84 2kj6 h LEU 79 Ca -0.27 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2kj6 h LEU 79 Cb 1.13 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2kj6 h LEU 79 CO 1.21 0.33 0.00 0.61 0.09 0.00 0.00 178.44 180.68 2kj6 n GLY 80 N -0.97 -0.68 0.09 0.83 0.00 -0.15 -2.20 105.19 102.11 2kj6 n GLY 80 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2kj6 n GLY 80 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kj6 n PHE 81 N -0.45 0.80 -0.01 1.61 7.35 -0.72 -4.18 117.46 121.86 2kj6 n PHE 81 Ca 0.00 0.25 -0.13 0.00 -0.76 0.00 0.00 57.45 56.81 2kj6 n PHE 81 Cb 0.02 -0.94 -0.10 0.00 0.35 0.00 0.00 39.48 38.81 2kj6 n PHE 81 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2kj6 h PHE 82 N 0.00 -0.03 -2.72 -5.13 3.57 -1.61 -3.47 116.94 107.56 2kj6 h PHE 82 Ca -0.07 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 2kj6 h PHE 82 Cb 1.23 0.01 -0.18 0.00 2.79 0.00 0.00 35.95 39.80 2kj6 h PHE 82 CO 0.00 0.53 -0.05 -1.54 -2.23 0.00 0.00 178.31 175.03 2kj6 s SER 83 N -5.74 -0.39 0.07 0.41 1.04 -1.25 -5.08 113.70 102.75 2kj6 s SER 83 Ca -0.16 0.24 -0.24 0.00 0.48 0.00 0.00 55.95 56.27 2kj6 s SER 83 Cb 0.01 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.46 2kj6 s SER 83 CO 0.65 -0.60 1.37 -0.65 0.98 0.00 0.00 173.24 174.99 2kj6 h PRO 84 N 3.19 -0.54 -0.24 4.02 0.11 -1.91 -3.39 132.00 133.23 2kj6 h PRO 84 Ca -0.30 0.04 0.21 0.00 0.11 0.00 0.00 66.00 66.06 2kj6 h PRO 84 Cb 1.18 0.12 -0.19 0.00 0.11 0.00 0.00 31.00 32.23 2kj6 h PRO 84 CO 0.41 -0.36 -0.02 -0.59 -0.21 0.00 0.00 178.00 177.23 2kj6 s PHE 85 N -4.88 -0.45 0.06 0.65 -0.71 -1.26 -4.83 117.98 106.56 2kj6 s PHE 85 Ca -0.11 0.24 -0.35 0.00 -1.04 0.00 0.00 56.93 55.66 2kj6 s PHE 85 Cb 0.04 0.08 -0.19 0.00 -1.21 0.00 0.00 43.02 41.74 2kj6 s PHE 85 CO 0.41 -0.27 1.54 -0.44 -1.34 0.00 0.00 175.22 175.12 2kj6 h ASP 86 N 7.04 -1.17 0.00 1.98 5.19 -1.98 -3.44 116.42 124.03 2kj6 h ASP 86 Ca -0.09 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.31 2kj6 h ASP 86 Cb 1.18 0.33 -0.09 0.00 0.18 0.00 0.00 39.33 40.93 2kj6 h ASP 86 CO -0.10 -0.74 0.23 0.61 -3.12 0.00 0.00 179.24 176.12 2kj6 n GLY 87 N -1.61 -1.34 3.56 2.75 0.00 -1.26 -4.65 105.19 102.63 2kj6 n GLY 87 Ca -0.15 0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 0.01 1.61 -0.32 1.61 0.08 -1.25 -3.12 117.98 116.59 2kj6 s PHE 88 Ca 0.08 0.86 -0.11 0.00 0.12 0.00 0.00 56.93 57.88 2kj6 s PHE 88 Cb 0.13 -4.04 -0.01 0.00 -0.57 0.00 0.00 43.02 38.53 2kj6 s PHE 88 CO -0.09 -2.41 0.20 1.03 -0.10 0.00 0.00 175.22 173.84 2kj6 s ARG 89 N 7.00 3.44 -0.74 0.44 1.81 -0.44 -3.51 118.95 126.94 2kj6 s ARG 89 Ca 0.72 -0.67 -0.19 0.00 -1.72 0.00 0.00 55.73 53.87 2kj6 s ARG 89 Cb -0.14 -3.69 0.12 0.00 -0.45 0.00 0.00 34.95 30.78 2kj6 s ARG 89 CO 0.23 -0.42 0.91 -0.51 -0.68 0.00 0.00 175.30 174.83 2kj6 s LEU 90 N 1.67 5.16 -0.91 2.53 1.43 -0.67 -1.07 118.68 126.82 2kj6 s LEU 90 Ca 0.05 -1.64 -0.21 0.00 -1.03 0.00 0.00 54.13 51.30 2kj6 s LEU 90 Cb -0.17 -2.35 0.10 0.00 0.03 0.00 0.00 46.19 43.79 2kj6 s LEU 90 CO 0.09 -1.13 1.20 -2.28 0.23 0.00 0.00 176.35 174.46 2kj6 s HIS 91 N 2.79 2.86 -0.49 0.29 2.46 -0.45 -1.63 115.29 121.13 2kj6 s HIS 91 Ca 0.22 -1.08 -0.28 0.00 0.47 0.00 0.00 55.06 54.39 2kj6 s HIS 91 Cb -0.15 -4.42 -0.01 0.00 -0.13 0.00 0.00 32.58 27.88 2kj6 s HIS 91 CO 0.01 -1.66 1.67 0.42 -2.47 0.00 0.00 174.74 172.71 2kj6 s ILE 92 N 3.63 3.57 -1.35 0.89 -1.09 0.03 -3.12 121.20 123.76 2kj6 s ILE 92 Ca 0.35 0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 59.10 2kj6 s ILE 92 Cb -0.05 -4.01 0.07 0.00 -1.58 0.00 0.00 42.46 36.88 2kj6 s ILE 92 CO -0.06 -0.81 1.90 -0.38 -1.23 0.00 0.00 174.94 174.36 2kj6 n ILE 93 N 7.17 3.80 -2.89 2.92 2.08 0.08 -2.96 119.36 129.56 2kj6 n ILE 93 Ca 0.19 -3.75 -0.43 0.00 0.56 0.00 0.00 62.75 59.31 2kj6 n ILE 93 Cb 0.49 -2.45 -0.03 0.00 -0.75 0.00 0.00 39.64 36.90 2kj6 n ILE 93 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kj6 s ASP 94 N 3.71 6.34 -0.04 4.38 2.15 -1.26 -1.29 116.67 130.66 2kj6 s ASP 94 Ca 0.51 -1.40 0.21 0.00 0.43 0.00 0.00 52.55 52.30 2kj6 s ASP 94 Cb 0.07 -2.41 -0.32 0.00 -0.30 0.00 0.00 42.92 39.97 2kj6 s ASP 94 CO 0.01 -1.29 0.45 -0.11 -0.17 0.00 0.00 175.17 174.06 2kj6 n LEU 95 N 7.25 0.03 -4.61 -1.34 -0.00 -0.43 -4.70 117.00 113.20 2kj6 n LEU 95 Ca 0.06 0.01 -0.43 0.00 -0.00 0.00 0.00 56.01 55.66 2kj6 n LEU 95 Cb 0.47 0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 2kj6 n LEU 95 CO 0.59 0.06 1.62 -0.62 -0.00 0.00 0.00 177.39 179.04 2kj6 s ASP 96 N -4.67 5.90 0.00 1.96 2.15 -1.19 -5.09 116.67 115.72 2kj6 s ASP 96 Ca -0.08 1.74 0.32 0.00 0.43 0.00 0.00 52.55 54.96 2kj6 s ASP 96 Cb 0.13 -2.52 1.88 0.00 -0.30 0.00 0.00 42.92 42.11 2kj6 s ASP 96 CO 0.90 -1.63 2.21 -0.81 -0.17 0.00 0.00 175.17 175.67