#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn2 n HIS 2 N 0.00 0.00 -0.21 1.61 -0.00 -1.26 -4.97 115.22 110.39 2kn2 n HIS 2 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2kn2 n HIS 2 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 2kn2 n HIS 2 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2kn2 h MET 3 N 0.00 0.85 0.00 -0.41 0.00 -2.01 -3.40 114.93 109.96 2kn2 h MET 3 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 59.70 59.58 2kn2 h MET 3 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 31.60 31.44 2kn2 h MET 3 CO 0.00 0.68 0.00 -3.47 0.00 0.00 0.00 176.91 174.12 2kn2 n ASP 4 N -4.54 0.00 -2.61 1.22 -0.08 -1.26 -3.63 116.55 105.66 2kn2 n ASP 4 Ca 0.04 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.95 2kn2 n ASP 4 Cb 0.11 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.52 2kn2 n ASP 4 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2kn2 n THR 5 N 0.00 0.00 -0.25 5.18 -1.04 -1.26 -4.59 114.28 112.32 2kn2 n THR 5 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 2kn2 n THR 5 Cb 0.00 -0.23 0.16 0.00 -1.82 0.00 0.00 70.33 68.43 2kn2 n THR 5 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2kn2 h ASP 6 N 2.59 0.43 -0.05 8.00 3.32 -1.99 -0.42 116.42 128.30 2kn2 h ASP 6 Ca -0.25 0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.90 2kn2 h ASP 6 Cb 0.76 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 2kn2 h ASP 6 CO 0.51 0.23 -0.53 0.00 -1.72 0.00 0.00 179.24 177.73 2kn2 h ALA 7 N 1.47 -0.92 0.62 3.45 0.00 -1.89 0.97 119.26 122.96 2kn2 h ALA 7 Ca 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2kn2 h ALA 7 Cb 0.46 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2kn2 h ALA 7 CO -0.31 -1.09 -0.38 0.93 0.00 0.00 0.00 179.25 178.40 2kn2 h GLU 8 N -0.62 -0.90 -0.65 0.00 4.39 -1.65 0.35 114.58 115.49 2kn2 h GLU 8 Ca 0.02 0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.90 2kn2 h GLU 8 Cb 0.69 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.42 2kn2 h GLU 8 CO -0.38 -0.60 -0.28 1.49 -1.16 0.00 0.00 179.01 178.08 2kn2 h GLU 9 N -0.93 -0.09 -0.23 2.33 4.81 -0.94 0.19 114.58 119.71 2kn2 h GLU 9 Ca -0.08 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2kn2 h GLU 9 Cb 0.74 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2kn2 h GLU 9 CO 0.09 -0.06 0.11 1.49 -0.73 0.00 0.00 179.01 179.90 2kn2 h GLU 10 N -0.10 0.22 -0.19 1.92 4.81 0.11 0.39 114.58 121.75 2kn2 h GLU 10 Ca 0.28 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 2kn2 h GLU 10 Cb 0.54 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2kn2 h GLU 10 CO -0.72 0.15 -0.11 1.25 -0.73 0.00 0.00 179.01 178.85 2kn2 h LEU 11 N 0.23 -0.37 0.13 1.64 5.85 0.19 0.95 115.31 123.94 2kn2 h LEU 11 Ca 0.10 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2kn2 h LEU 11 Cb 0.04 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2kn2 h LEU 11 CO -0.08 -0.15 -0.06 0.11 -0.34 0.00 0.00 178.44 177.92 2kn2 h LYS 12 N -0.10 -0.17 0.15 1.25 1.79 -0.43 0.29 116.57 119.34 2kn2 h LYS 12 Ca 0.11 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2kn2 h LYS 12 Cb 0.26 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2kn2 h LYS 12 CO -0.25 0.14 -0.16 0.93 -1.08 0.00 0.00 179.45 179.03 2kn2 h GLU 13 N -0.49 -0.33 -0.51 3.15 5.08 -0.01 -1.14 114.58 120.34 2kn2 h GLU 13 Ca -0.02 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2kn2 h GLU 13 Cb 0.39 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2kn2 h GLU 13 CO 0.03 -0.22 0.23 0.00 -1.00 0.00 0.00 179.01 178.05 2kn2 h ALA 14 N 0.48 0.65 -0.61 3.43 0.00 0.92 -0.10 119.26 124.03 2kn2 h ALA 14 Ca 0.01 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2kn2 h ALA 14 Cb 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2kn2 h ALA 14 CO -0.05 -0.15 0.26 0.35 0.00 0.00 0.00 179.25 179.67 2kn2 h PHE 15 N 0.44 0.47 -0.43 0.00 3.57 -0.51 0.47 116.94 120.94 2kn2 h PHE 15 Ca 0.24 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2kn2 h PHE 15 Cb 0.20 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2kn2 h PHE 15 CO -0.13 0.16 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.81 2kn2 h LYS 16 N 0.47 0.74 -0.25 1.11 3.64 -0.41 -1.19 116.57 120.69 2kn2 h LYS 16 Ca 0.30 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2kn2 h LYS 16 Cb 0.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2kn2 h LYS 16 CO -0.27 0.81 -0.41 0.28 -2.27 0.00 0.00 179.45 177.59 2kn2 h VAL 17 N 0.68 1.30 -0.22 2.00 2.07 0.40 -3.17 116.25 119.30 2kn2 h VAL 17 Ca 0.12 -1.58 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 2kn2 h VAL 17 Cb 0.54 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2kn2 h VAL 17 CO 0.03 0.50 -0.21 -0.26 0.02 0.00 0.00 177.57 177.65 2kn2 h PHE 18 N 0.48 0.65 -0.05 1.57 0.04 0.16 -3.34 116.94 116.46 2kn2 h PHE 18 Ca 0.04 -0.19 -0.69 0.00 2.80 0.00 0.00 57.97 59.92 2kn2 h PHE 18 Cb 0.92 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 2kn2 h PHE 18 CO 0.04 0.87 2.93 -0.25 -0.60 0.00 0.00 178.31 181.30 2kn2 n ASP 19 N -4.41 3.68 -0.17 2.17 8.00 -0.48 -4.70 116.55 120.65 2kn2 n ASP 19 Ca -0.05 -2.81 -0.04 0.00 0.71 0.00 0.00 54.79 52.60 2kn2 n ASP 19 Cb 0.41 -1.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.00 2kn2 n ASP 19 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2kn2 h LYS 20 N 6.45 0.50 0.00 -1.24 3.64 -1.76 0.32 116.57 124.48 2kn2 h LYS 20 Ca 0.53 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 2kn2 h LYS 20 Cb 0.66 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2kn2 h LYS 20 CO 1.87 0.33 -0.11 0.38 -2.27 0.00 0.00 179.45 179.65 2kn2 h ASP 21 N 0.51 0.00 -4.58 4.20 2.03 -1.94 -3.46 116.42 113.18 2kn2 h ASP 21 Ca 0.23 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.22 2kn2 h ASP 21 Cb 0.14 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 38.74 2kn2 h ASP 21 CO -0.16 0.11 -0.51 1.67 -1.03 0.00 0.00 179.24 179.32 2kn2 n GLN 22 N -3.37 -5.87 -0.04 4.15 7.27 0.10 -4.90 117.38 114.73 2kn2 n GLN 22 Ca -0.01 0.64 0.12 0.00 0.07 0.00 0.00 57.00 57.82 2kn2 n GLN 22 Cb 0.30 -5.08 0.19 0.00 2.41 0.00 0.00 30.24 28.06 2kn2 n GLN 22 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2kn2 n ASN 23 N -1.90 2.82 -0.72 1.69 6.94 -1.26 -4.93 115.26 117.89 2kn2 n ASN 23 Ca -0.00 -1.92 -0.09 0.00 -0.02 0.00 0.00 54.58 52.55 2kn2 n ASN 23 Cb 0.55 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.89 2kn2 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kn2 n GLY 24 N 1.35 0.97 3.04 4.83 0.00 -1.26 -4.99 105.19 109.12 2kn2 n GLY 24 Ca 0.16 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2kn2 n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kn2 s TYR 25 N -2.34 -0.76 0.24 1.61 1.51 -1.26 -4.42 117.35 111.92 2kn2 s TYR 25 Ca 0.00 1.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.83 2kn2 s TYR 25 Cb 0.00 0.10 -0.09 0.00 -0.11 0.00 0.00 41.96 41.86 2kn2 s TYR 25 CO 0.00 -0.60 0.94 0.42 -1.11 0.00 0.00 175.55 175.19 2kn2 s ILE 26 N 2.55 4.09 0.16 2.71 1.01 -0.73 -4.87 121.20 126.12 2kn2 s ILE 26 Ca 0.07 2.08 0.06 0.00 0.00 0.00 0.00 60.65 62.86 2kn2 s ILE 26 Cb -0.14 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2kn2 s ILE 26 CO -0.14 0.50 -0.14 -0.44 0.00 0.00 0.00 174.94 174.72 2kn2 s SER 27 N -1.15 2.23 0.33 3.58 0.01 -1.26 -1.03 113.70 116.40 2kn2 s SER 27 Ca 0.41 -0.93 0.11 0.00 1.31 0.00 0.00 55.95 56.84 2kn2 s SER 27 Cb -0.26 -0.09 0.97 0.00 0.21 0.00 0.00 66.02 66.86 2kn2 s SER 27 CO 0.32 -0.18 1.65 0.00 0.41 0.00 0.00 173.24 175.44 2kn2 h ALA 28 N 3.00 1.74 -0.28 1.44 0.00 -1.93 0.47 119.26 123.70 2kn2 h ALA 28 Ca -0.39 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kn2 h ALA 28 Cb 1.20 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2kn2 h ALA 28 CO 0.57 -0.55 0.17 0.66 0.00 0.00 0.00 179.25 180.10 2kn2 h SER 29 N 0.28 0.33 -0.24 0.00 4.64 -1.96 0.58 113.55 117.19 2kn2 h SER 29 Ca 0.68 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.88 2kn2 h SER 29 Cb 1.51 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2kn2 h SER 29 CO -0.63 0.29 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.18 2kn2 h GLU 30 N 0.35 0.49 -0.43 4.77 5.08 -0.67 -1.60 114.58 122.57 2kn2 h GLU 30 Ca 0.10 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2kn2 h GLU 30 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kn2 h GLU 30 CO -0.02 0.75 0.16 1.25 -1.00 0.00 0.00 179.01 180.15 2kn2 h LEU 31 N 0.21 0.60 -0.35 1.33 5.85 -0.17 -1.70 115.31 121.09 2kn2 h LEU 31 Ca 0.05 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2kn2 h LEU 31 Cb 0.60 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2kn2 h LEU 31 CO 0.03 0.62 0.22 -0.09 -0.34 0.00 0.00 178.44 178.88 2kn2 h ARG 32 N 0.55 0.46 -0.79 1.25 2.43 0.19 -0.53 114.38 117.95 2kn2 h ARG 32 Ca 0.14 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2kn2 h ARG 32 Cb 0.22 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2kn2 h ARG 32 CO -0.01 0.33 0.52 0.45 -1.51 0.00 0.00 179.97 179.76 2kn2 h HIS 33 N 0.46 0.99 -0.37 2.20 3.86 -1.10 -1.05 115.15 120.15 2kn2 h HIS 33 Ca 0.13 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2kn2 h HIS 33 Cb -0.02 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.10 2kn2 h HIS 33 CO -0.04 0.63 0.06 0.28 0.86 0.00 0.00 177.93 179.71 2kn2 h VAL 34 N 1.07 1.24 -0.90 2.45 2.07 -0.98 -0.78 116.25 120.42 2kn2 h VAL 34 Ca 0.29 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kn2 h VAL 34 Cb -0.12 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2kn2 h VAL 34 CO -0.06 0.29 0.58 0.24 0.02 0.00 0.00 177.57 178.63 2kn2 h MET 35 N 0.45 1.21 -0.40 1.57 2.07 -0.72 -1.97 114.93 117.13 2kn2 h MET 35 Ca 0.11 -0.09 -0.07 0.00 -2.07 0.00 0.00 59.70 57.58 2kn2 h MET 35 Cb 0.37 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 2kn2 h MET 35 CO 0.01 0.82 -0.02 0.82 1.07 0.00 0.00 176.91 179.61 2kn2 h ILE 36 N 1.23 1.26 -0.19 -1.22 1.08 -1.02 -2.40 117.51 116.26 2kn2 h ILE 36 Ca 0.33 -1.05 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 2kn2 h ILE 36 Cb -0.11 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2kn2 h ILE 36 CO -0.07 0.35 0.19 -1.13 -0.69 0.00 0.00 178.15 176.81 2kn2 h ASN 37 N 0.54 0.00 0.00 1.72 -1.24 -0.54 0.57 115.58 116.63 2kn2 h ASN 37 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2kn2 h ASN 37 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 2kn2 h ASN 37 CO 0.02 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.34 2kn2 n LEU 38 N -3.90 0.00 -0.69 0.34 4.77 -0.80 -4.83 117.00 111.89 2kn2 n LEU 38 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 2kn2 n LEU 38 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2kn2 n LEU 38 CO 0.29 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.88 2kn2 n GLY 39 N 0.57 0.63 3.48 -0.72 0.00 0.20 -5.02 105.19 104.32 2kn2 n GLY 39 Ca 0.09 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2kn2 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kn2 s GLU 40 N -3.28 3.02 -0.51 1.61 2.02 -1.15 -5.05 118.70 115.36 2kn2 s GLU 40 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 2kn2 s GLU 40 Cb 0.00 -2.60 0.13 0.00 0.10 0.00 0.00 34.13 31.77 2kn2 s GLU 40 CO 0.00 0.45 0.32 0.15 0.02 0.00 0.00 175.26 176.20 2kn2 s LYS 41 N -0.25 2.28 0.04 1.61 1.02 -1.26 -3.83 119.74 119.34 2kn2 s LYS 41 Ca 0.02 -2.13 0.01 0.00 0.02 0.00 0.00 55.97 53.89 2kn2 s LYS 41 Cb -0.13 -3.67 0.01 0.00 -0.52 0.00 0.00 37.83 33.51 2kn2 s LYS 41 CO 0.03 -1.13 0.04 1.28 -0.92 0.00 0.00 175.35 174.66 2kn2 n LEU 42 N 4.13 0.00 -4.59 3.17 4.77 -1.26 -5.13 117.00 118.09 2kn2 n LEU 42 Ca 0.02 -0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 2kn2 n LEU 42 Cb 0.40 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2kn2 n LEU 42 CO 0.34 -0.42 -0.39 0.42 -1.33 0.00 0.00 177.39 176.01 2kn2 s THR 43 N 0.38 3.57 0.47 -5.08 -4.23 -1.26 -5.00 115.64 104.49 2kn2 s THR 43 Ca 0.03 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 59.83 2kn2 s THR 43 Cb -0.00 -2.58 0.38 0.00 1.34 0.00 0.00 72.50 71.63 2kn2 s THR 43 CO 0.02 0.31 1.95 0.44 -0.54 0.00 0.00 174.62 176.80 2kn2 h ASP 44 N 4.26 0.22 -1.01 3.99 3.32 -2.00 0.63 116.42 125.83 2kn2 h ASP 44 Ca -0.48 0.01 0.07 0.00 0.02 0.00 0.00 57.03 56.65 2kn2 h ASP 44 Cb 1.17 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 2kn2 h ASP 44 CO 0.53 0.11 0.65 -0.33 -1.72 0.00 0.00 179.24 178.49 2kn2 h GLU 45 N 0.24 1.13 -0.75 3.56 3.07 -1.99 -0.68 114.58 119.15 2kn2 h GLU 45 Ca 0.33 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 2kn2 h GLU 45 Cb 0.96 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 2kn2 h GLU 45 CO -0.07 0.75 0.34 0.93 -1.40 0.00 0.00 179.01 179.56 2kn2 h GLU 46 N 1.17 1.09 -0.33 2.33 4.39 -1.28 -0.54 114.58 121.41 2kn2 h GLU 46 Ca 0.44 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 2kn2 h GLU 46 Cb 0.20 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kn2 h GLU 46 CO -0.18 0.85 0.06 0.28 -1.16 0.00 0.00 179.01 178.86 2kn2 h VAL 47 N 1.07 1.23 -0.37 3.13 2.07 -1.11 0.22 116.25 122.50 2kn2 h VAL 47 Ca 0.26 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2kn2 h VAL 47 Cb 0.14 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2kn2 h VAL 47 CO -0.03 0.27 0.18 -0.33 0.02 0.00 0.00 177.57 177.67 2kn2 h GLU 48 N 0.38 0.53 -0.19 1.57 4.39 -0.92 -1.08 114.58 119.25 2kn2 h GLU 48 Ca 0.10 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2kn2 h GLU 48 Cb 0.34 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2kn2 h GLU 48 CO 0.01 0.47 -0.12 1.96 -1.16 0.00 0.00 179.01 180.17 2kn2 h GLN 49 N 0.45 0.31 -0.20 2.33 4.20 -1.00 -0.92 115.11 120.28 2kn2 h GLN 49 Ca 0.13 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2kn2 h GLN 49 Cb 0.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2kn2 h GLN 49 CO -0.02 0.44 -0.05 1.98 -0.67 0.00 0.00 178.83 180.52 2kn2 h MET 50 N 0.29 0.39 -0.19 1.46 4.05 -0.40 -2.20 114.93 118.33 2kn2 h MET 50 Ca 0.06 -0.15 -0.05 0.00 -0.28 0.00 0.00 59.70 59.28 2kn2 h MET 50 Cb 0.40 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2kn2 h MET 50 CO 0.02 0.64 -0.07 0.82 0.23 0.00 0.00 176.91 178.55 2kn2 h ILE 51 N 0.11 1.30 -0.69 1.77 2.04 -0.96 -2.15 117.51 118.93 2kn2 h ILE 51 Ca 0.05 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2kn2 h ILE 51 Cb 0.49 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 2kn2 h ILE 51 CO 0.02 0.33 0.38 0.07 0.00 0.00 0.00 178.15 178.95 2kn2 h LYS 52 N 0.10 0.68 0.29 2.37 2.10 -1.21 1.14 116.57 122.02 2kn2 h LYS 52 Ca 0.05 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2kn2 h LYS 52 Cb 0.54 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2kn2 h LYS 52 CO 0.02 0.45 -0.14 0.93 -2.00 0.00 0.00 179.45 178.72 2kn2 h GLU 53 N 0.70 -0.37 -0.40 0.07 4.39 -1.31 -3.07 114.58 114.59 2kn2 h GLU 53 Ca 0.31 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 2kn2 h GLU 53 Cb 0.21 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2kn2 h GLU 53 CO -0.19 -0.22 0.01 0.00 -1.16 0.00 0.00 179.01 177.45 2kn2 h ALA 54 N 0.28 0.53 -2.32 3.43 0.00 -0.97 -3.42 119.26 116.80 2kn2 h ALA 54 Ca -0.04 -0.25 -0.55 0.00 0.00 0.00 0.00 54.91 54.07 2kn2 h ALA 54 Cb 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kn2 h ALA 54 CO 0.06 0.30 0.96 -0.51 0.00 0.00 0.00 179.25 180.07 2kn2 s ASP 55 N -6.18 6.75 0.00 0.00 1.01 0.39 -4.83 116.67 113.82 2kn2 s ASP 55 Ca -0.13 2.17 0.23 0.00 0.71 0.00 0.00 52.55 55.53 2kn2 s ASP 55 Cb 0.10 -2.55 0.15 0.00 1.01 0.00 0.00 42.92 41.63 2kn2 s ASP 55 CO 0.79 -0.83 1.17 0.18 0.21 0.00 0.00 175.17 176.69 2kn2 n LEU 56 N 6.22 0.73 -0.33 1.23 4.77 -1.26 -3.96 117.00 124.39 2kn2 n LEU 56 Ca 0.15 -0.23 0.03 0.00 -0.03 0.00 0.00 56.01 55.93 2kn2 n LEU 56 Cb 0.43 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2kn2 n LEU 56 CO 0.60 0.18 0.50 -0.90 -1.33 0.00 0.00 177.39 176.44 2kn2 n ASP 57 N -1.51 2.19 -4.00 -1.43 5.75 -1.26 -5.00 116.55 111.29 2kn2 n ASP 57 Ca 0.05 -1.75 -0.27 0.00 -0.01 0.00 0.00 54.79 52.81 2kn2 n ASP 57 Cb 0.34 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 2kn2 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kn2 n GLY 58 N 0.19 -0.24 0.10 6.12 0.00 -1.25 -4.86 105.19 105.25 2kn2 n GLY 58 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2kn2 n GLY 58 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2kn2 h ASP 59 N -1.81 0.00 0.00 1.61 3.04 -1.94 -3.48 116.42 113.84 2kn2 h ASP 59 Ca -0.63 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.16 2kn2 h ASP 59 Cb 1.38 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.67 2kn2 h ASP 59 CO 0.64 0.56 0.00 0.61 -2.04 0.00 0.00 179.24 179.01 2kn2 n GLY 60 N 1.38 0.76 2.94 7.15 0.00 -1.26 -5.08 105.19 111.09 2kn2 n GLY 60 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2kn2 n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kn2 s GLN 61 N -0.92 0.88 -0.18 1.61 -0.21 -1.26 -4.41 119.66 115.17 2kn2 s GLN 61 Ca 0.00 -0.20 -0.20 0.00 0.02 0.00 0.00 55.36 54.98 2kn2 s GLN 61 Cb 0.00 -0.84 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 2kn2 s GLN 61 CO 0.00 0.01 0.58 0.08 -2.12 0.00 0.00 175.29 173.84 2kn2 s VAL 62 N 0.54 5.07 0.55 1.09 1.01 -0.19 -4.78 120.40 123.69 2kn2 s VAL 62 Ca -0.08 1.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 2kn2 s VAL 62 Cb -0.11 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2kn2 s VAL 62 CO 0.01 0.17 0.85 0.21 0.00 0.00 0.00 175.10 176.33 2kn2 s ASN 63 N 1.10 5.72 0.23 3.32 2.47 -1.26 -1.78 114.94 124.73 2kn2 s ASN 63 Ca 0.27 0.67 -0.06 0.00 0.42 0.00 0.00 52.86 54.16 2kn2 s ASN 63 Cb -0.16 -1.75 0.36 0.00 -1.45 0.00 0.00 41.25 38.26 2kn2 s ASN 63 CO 0.11 -0.94 1.79 0.22 -3.72 0.00 0.00 177.10 174.55 2kn2 h TYR 64 N -0.03 0.71 -0.30 0.43 3.20 -1.98 0.94 116.97 119.94 2kn2 h TYR 64 Ca -0.46 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 2kn2 h TYR 64 Cb 1.25 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2kn2 h TYR 64 CO 0.48 0.26 0.16 0.93 -1.64 0.00 0.00 178.16 178.35 2kn2 h GLU 65 N 0.66 0.42 -0.60 1.82 5.08 -1.97 -1.00 114.58 118.99 2kn2 h GLU 65 Ca 0.37 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2kn2 h GLU 65 Cb 0.38 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2kn2 h GLU 65 CO -0.27 0.37 0.28 0.93 -1.00 0.00 0.00 179.01 179.33 2kn2 h GLU 66 N 0.36 0.85 -0.15 2.33 5.08 -1.67 -1.78 114.58 119.60 2kn2 h GLU 66 Ca 0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kn2 h GLU 66 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2kn2 h GLU 66 CO -0.02 0.67 0.04 0.35 -1.00 0.00 0.00 179.01 179.06 2kn2 h PHE 67 N 0.85 0.25 0.08 4.33 3.04 -0.39 -2.12 116.94 122.99 2kn2 h PHE 67 Ca 0.21 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 2kn2 h PHE 67 Cb 0.11 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.55 2kn2 h PHE 67 CO 0.01 0.38 -0.04 0.28 -2.02 0.00 0.00 178.31 176.92 2kn2 h VAL 68 N 0.06 0.00 -0.94 1.41 2.07 -0.84 0.35 116.25 118.36 2kn2 h VAL 68 Ca 0.05 -0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.84 2kn2 h VAL 68 Cb 0.25 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.85 2kn2 h VAL 68 CO -0.00 0.00 0.13 0.07 0.02 0.00 0.00 177.57 177.79 2kn2 h LYS 69 N -0.11 0.06 -0.54 1.57 2.10 -1.44 0.88 116.57 119.09 2kn2 h LYS 69 Ca -0.01 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 2kn2 h LYS 69 Cb 0.09 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 2kn2 h LYS 69 CO 0.02 0.04 0.03 0.52 -2.00 0.00 0.00 179.45 178.06 2kn2 h MET 70 N 0.07 0.94 -0.78 0.07 2.86 -1.27 0.16 114.93 116.97 2kn2 h MET 70 Ca 0.60 -0.29 0.11 0.00 -2.06 0.00 0.00 59.70 58.06 2kn2 h MET 70 Cb 1.27 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 2kn2 h MET 70 CO -0.82 0.94 0.51 1.98 1.06 0.00 0.00 176.91 180.58 2kn2 h MET 71 N 0.82 0.63 0.01 1.72 1.85 0.49 -2.52 114.93 117.93 2kn2 h MET 71 Ca 0.16 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 59.13 2kn2 h MET 71 Cb 0.50 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2kn2 h MET 71 CO 0.02 0.41 -0.43 0.52 -0.40 0.00 0.00 176.91 177.04 2kn2 h MET 72 N 0.64 0.02 -1.25 0.39 2.86 -0.87 -3.32 114.93 113.40 2kn2 h MET 72 Ca 0.37 -0.03 0.36 0.00 -2.06 0.00 0.00 59.70 58.34 2kn2 h MET 72 Cb 0.56 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.18 2kn2 h MET 72 CO -0.14 1.01 1.09 1.15 1.06 0.00 0.00 176.91 181.09 2kn2 h THR 73 N -0.96 0.14 -0.57 2.22 2.02 -0.39 0.97 112.91 116.34 2kn2 h THR 73 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kn2 h THR 73 Cb 1.13 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2kn2 h THR 73 CO -0.05 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.78 2kn2 h VAL 74 N 0.00 1.16 -2.07 3.16 2.07 -1.56 0.52 116.25 119.54 2kn2 h VAL 74 Ca 0.59 -0.33 -0.61 0.00 0.82 0.00 0.00 66.70 67.17 2kn2 h VAL 74 Cb 2.77 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 32.77 2kn2 h VAL 74 CO -0.01 0.16 1.02 -0.13 0.02 0.00 0.00 177.57 178.64 2kn2 s ARG 75 N -6.06 3.37 0.00 1.57 1.81 0.34 -1.74 118.95 118.24 2kn2 s ARG 75 Ca -0.13 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 2kn2 s ARG 75 Cb 0.13 -4.69 0.00 0.00 -0.45 0.00 0.00 34.95 29.94 2kn2 s ARG 75 CO 0.76 -2.01 0.00 0.41 -0.68 0.00 0.00 175.30 173.77 2kn2 n GLY 76 N 5.84 1.23 0.80 -3.53 0.00 -1.26 -4.86 105.19 103.41 2kn2 n GLY 76 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2kn2 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 77 N -1.54 1.77 2.76 -0.02 0.00 0.18 -5.09 105.19 103.25 2kn2 n GLY 77 Ca 0.00 -0.59 -0.49 0.00 0.00 0.00 0.00 46.02 44.94 2kn2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 78 N -0.14 0.01 0.00 -0.02 0.00 -0.71 -4.48 105.19 99.85 2kn2 n GLY 78 Ca 0.06 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.78 2kn2 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 79 N 2.33 1.89 0.00 -0.02 0.00 -1.26 -5.02 105.19 103.11 2kn2 n GLY 79 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2kn2 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 80 N 0.00 0.00 0.20 -0.02 0.00 -1.26 -4.67 105.19 99.44 2kn2 n GLY 80 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2kn2 n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kn2 h ASN 81 N 0.00 0.90 -0.11 1.61 2.35 -1.93 -2.11 115.58 116.29 2kn2 h ASN 81 Ca 0.00 -0.68 -0.04 0.00 -0.55 0.00 0.00 56.30 55.02 2kn2 h ASN 81 Cb 0.00 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 2kn2 h ASN 81 CO 0.00 1.48 -0.11 1.23 -1.65 0.00 0.00 177.43 178.39 2kn2 h GLY 82 N 0.51 0.29 0.98 2.83 0.00 -1.88 -2.10 103.07 103.69 2kn2 h GLY 82 Ca -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2kn2 h GLY 82 CO 0.19 0.27 0.27 1.49 0.00 0.00 0.00 176.54 178.76 2kn2 h TRP 83 N -0.13 0.74 -0.69 5.60 4.06 -1.92 0.15 115.95 123.75 2kn2 h TRP 83 Ca 0.02 -0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.97 2kn2 h TRP 83 Cb 0.62 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.51 2kn2 h TRP 83 CO 0.09 0.56 0.43 1.03 -3.56 0.00 0.00 178.44 176.99 2kn2 h SER 84 N 0.71 0.70 -0.41 -3.49 0.87 -1.39 0.13 113.55 110.67 2kn2 h SER 84 Ca 0.18 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2kn2 h SER 84 Cb 0.08 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2kn2 h SER 84 CO -0.03 0.48 -0.20 0.03 -0.53 0.00 0.00 176.83 176.58 2kn2 h ARG 85 N 0.83 0.91 -0.06 2.24 2.47 -0.92 0.31 114.38 120.16 2kn2 h ARG 85 Ca 0.28 -0.37 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 2kn2 h ARG 85 Cb 0.04 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2kn2 h ARG 85 CO -0.12 1.03 -0.22 1.25 0.56 0.00 0.00 179.97 182.47 2kn2 h LEU 86 N 0.79 0.10 0.00 3.04 6.46 0.07 -2.64 115.31 123.13 2kn2 h LEU 86 Ca 0.11 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2kn2 h LEU 86 Cb 0.75 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2kn2 h LEU 86 CO 0.06 0.33 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.88 2kn2 h ARG 87 N 0.10 0.00 -0.97 1.25 1.12 -0.42 -3.06 114.38 112.39 2kn2 h ARG 87 Ca 0.02 0.00 0.29 0.00 -1.11 0.00 0.00 59.98 59.17 2kn2 h ARG 87 Cb 0.46 0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 30.24 2kn2 h ARG 87 CO 0.03 0.00 0.09 -2.13 -3.11 0.00 0.00 179.97 174.85 2kn2 n ARG 88 N -4.56 -0.08 -3.64 0.20 0.63 0.11 -2.93 116.66 106.39 2kn2 n ARG 88 Ca -0.03 1.44 -0.29 0.00 -0.92 0.00 0.00 57.85 58.05 2kn2 n ARG 88 Cb 0.13 -2.33 -0.12 0.00 0.45 0.00 0.00 32.46 30.58 2kn2 n ARG 88 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2kn2 s LYS 89 N -5.91 1.21 0.44 -0.14 2.20 -1.00 -5.09 119.74 111.45 2kn2 s LYS 89 Ca -0.12 -2.02 0.01 0.00 -0.36 0.00 0.00 55.97 53.48 2kn2 s LYS 89 Cb 0.29 -2.13 -0.00 0.00 -1.51 0.00 0.00 37.83 34.48 2kn2 s LYS 89 CO 0.76 -1.21 0.65 0.12 -0.36 0.00 0.00 175.35 175.31 2kn2 s PHE 90 N 0.28 3.22 0.00 4.03 5.36 -1.15 -4.63 117.98 125.09 2kn2 s PHE 90 Ca 0.20 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2kn2 s PHE 90 Cb -0.18 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.22 2kn2 s PHE 90 CO -0.04 -0.31 0.07 -1.13 -1.46 0.00 0.00 175.22 172.35 2kn2 n SER 91 N -2.03 0.00 0.00 6.13 3.41 -1.26 -5.09 113.62 114.78 2kn2 n SER 91 Ca 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2kn2 n SER 91 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2kn2 n SER 91 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64