#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr1 n LYS 2 N 0.00 -1.36 0.12 3.17 3.00 -1.26 -4.58 118.16 117.24 2kr1 n LYS 2 Ca 0.00 1.41 0.05 0.00 -0.00 0.00 0.00 58.31 59.77 2kr1 n LYS 2 Cb 0.00 -5.32 0.49 0.00 0.00 0.00 0.00 35.03 30.20 2kr1 n LYS 2 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2kr1 h ARG 3 N 0.39 0.28 0.32 1.64 2.43 -2.05 0.06 114.38 117.46 2kr1 h ARG 3 Ca -0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2kr1 h ARG 3 Cb 1.05 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2kr1 h ARG 3 CO 0.31 0.24 -0.15 0.00 -1.51 0.00 0.00 179.97 178.85 2kr1 h ALA 4 N 1.81 -0.43 0.00 2.80 0.00 -1.99 -0.47 119.26 120.97 2kr1 h ALA 4 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2kr1 h ALA 4 Cb 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kr1 h ALA 4 CO -0.01 -0.53 -0.37 0.00 0.00 0.00 0.00 179.25 178.35 2kr1 h ALA 5 N -0.42 1.24 -0.40 0.00 0.00 -1.89 -1.84 119.26 115.94 2kr1 h ALA 5 Ca -0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2kr1 h ALA 5 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kr1 h ALA 5 CO 0.07 0.46 -0.34 0.00 0.00 0.00 0.00 179.25 179.45 2kr1 h ALA 6 N 1.63 0.63 -0.15 0.00 0.00 -1.00 -0.17 119.26 120.19 2kr1 h ALA 6 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2kr1 h ALA 6 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kr1 h ALA 6 CO 0.05 0.68 -0.46 -0.22 0.00 0.00 0.00 179.25 179.29 2kr1 h LYS 7 N 0.77 0.38 0.00 0.00 3.64 -0.84 -0.32 116.57 120.20 2kr1 h LYS 7 Ca 0.07 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 2kr1 h LYS 7 Cb 0.92 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2kr1 h LYS 7 CO 0.09 0.77 -0.33 1.25 -2.27 0.00 0.00 179.45 178.95 2kr1 h HIS 8 N 0.31 0.00 0.04 1.91 2.76 -1.22 -0.77 115.15 118.17 2kr1 h HIS 8 Ca 0.02 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.96 2kr1 h HIS 8 Cb 0.93 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2kr1 h HIS 8 CO 0.03 0.33 -1.00 1.25 -1.30 0.00 0.00 177.93 177.24 2kr1 h LEU 9 N 0.00 0.34 -1.03 0.26 7.12 -0.61 -1.49 115.31 119.88 2kr1 h LEU 9 Ca -0.00 -0.30 -0.04 0.00 0.13 0.00 0.00 57.88 57.67 2kr1 h LEU 9 Cb 0.94 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 2kr1 h LEU 9 CO 0.04 1.15 0.22 0.40 -0.13 0.00 0.00 178.44 180.12 2kr1 h ILE 10 N 0.11 1.23 0.00 4.05 2.04 -0.89 -2.48 117.51 121.58 2kr1 h ILE 10 Ca -0.07 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2kr1 h ILE 10 Cb 1.67 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2kr1 h ILE 10 CO 0.16 0.29 -0.34 -0.08 0.00 0.00 0.00 178.15 178.18 2kr1 h GLU 11 N 0.90 0.00 -0.40 2.37 4.57 -0.94 0.28 114.58 121.35 2kr1 h GLU 11 Ca 0.21 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2kr1 h GLU 11 Cb 0.21 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2kr1 h GLU 11 CO -0.01 0.34 0.11 0.00 -1.18 0.00 0.00 179.01 178.26 2kr1 h ARG 12 N 0.00 0.64 -0.02 1.92 2.47 -0.84 -0.24 114.38 118.31 2kr1 h ARG 12 Ca -0.00 -0.15 -0.16 0.00 -1.26 0.00 0.00 59.98 58.41 2kr1 h ARG 12 Cb 0.63 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2kr1 h ARG 12 CO 0.04 0.66 -0.72 1.88 0.56 0.00 0.00 179.97 182.39 2kr1 h TYR 13 N 0.51 0.14 -0.14 3.04 0.05 -1.15 -2.03 116.97 117.39 2kr1 h TYR 13 Ca 0.13 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.72 2kr1 h TYR 13 Cb 0.30 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2kr1 h TYR 13 CO 0.02 0.78 -0.40 -0.92 -1.05 0.00 0.00 178.16 176.59 2kr1 h TYR 14 N 0.07 0.67 -0.46 4.88 3.20 -0.37 -2.09 116.97 122.87 2kr1 h TYR 14 Ca -0.02 -0.27 -0.05 0.00 3.14 0.00 0.00 58.73 61.54 2kr1 h TYR 14 Cb 1.27 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 2kr1 h TYR 14 CO 0.01 1.01 0.07 1.25 -1.64 0.00 0.00 178.16 178.87 2kr1 h HIS 15 N 0.14 0.73 -0.05 -3.82 2.76 -1.10 -0.56 115.15 113.26 2kr1 h HIS 15 Ca -0.01 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 2kr1 h HIS 15 Cb 1.02 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 2kr1 h HIS 15 CO 0.10 0.65 -0.18 0.37 -1.30 0.00 0.00 177.93 177.57 2kr1 h GLN 16 N 0.68 0.08 0.00 5.26 4.15 -1.17 0.12 115.11 124.23 2kr1 h GLN 16 Ca 0.15 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 2kr1 h GLN 16 Cb 0.31 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2kr1 h GLN 16 CO 0.00 0.26 -0.66 -0.07 -1.93 0.00 0.00 178.83 176.44 2kr1 h LEU 17 N 0.08 0.00 0.07 -2.39 3.38 -0.95 -0.69 115.31 114.81 2kr1 h LEU 17 Ca 0.01 -0.59 -0.29 0.00 0.09 0.00 0.00 57.88 57.10 2kr1 h LEU 17 Cb 0.37 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.14 2kr1 h LEU 17 CO 0.02 1.18 -1.18 0.71 0.09 0.00 0.00 178.44 179.26 2kr1 h THR 18 N -1.00 1.29 0.00 0.22 1.35 -1.16 -3.33 112.91 110.28 2kr1 h THR 18 Ca -0.17 -2.41 -0.33 0.00 -0.55 0.00 0.00 66.41 62.95 2kr1 h THR 18 Cb 1.03 2.59 -0.06 0.00 -1.73 0.00 0.00 68.15 69.98 2kr1 h THR 18 CO -0.10 0.74 -2.24 -0.62 -0.25 0.00 0.00 175.52 173.05 2kr1 n GLU 19 N -3.80 0.53 0.00 4.72 -0.58 -0.35 -5.00 120.64 116.16 2kr1 n GLU 19 Ca -0.13 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2kr1 n GLU 19 Cb 0.95 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 2kr1 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kr1 n GLY 20 N 2.30 0.91 0.30 0.62 0.00 0.28 -4.50 105.19 105.11 2kr1 n GLY 20 Ca -0.39 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2kr1 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kr1 n GLY 22 N 0.00 2.16 3.59 0.00 0.00 -1.26 -4.96 105.19 104.72 2kr1 n GLY 22 Ca 0.00 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 2kr1 n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kr1 n ASN 23 N 1.19 3.14 0.22 1.61 3.02 -1.26 -4.86 115.26 118.32 2kr1 n ASN 23 Ca 0.00 0.52 0.17 0.00 -0.03 0.00 0.00 54.58 55.24 2kr1 n ASN 23 Cb 0.00 -1.44 0.85 0.00 -0.61 0.00 0.00 39.78 38.58 2kr1 n ASN 23 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2kr1 h GLU 24 N 12.53 0.00 -2.12 3.52 4.11 -1.93 -3.09 114.58 127.59 2kr1 h GLU 24 Ca -0.41 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.45 2kr1 h GLU 24 Cb 1.27 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.12 2kr1 h GLU 24 CO 0.97 0.00 -0.97 0.00 0.07 0.00 0.00 179.01 179.08 2kr1 n ALA 25 N -2.31 2.86 -1.81 1.06 0.00 -1.25 -4.79 120.51 114.26 2kr1 n ALA 25 Ca 0.01 -3.69 -0.38 0.00 0.00 0.00 0.00 53.44 49.37 2kr1 n ALA 25 Cb 0.30 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 2kr1 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kr1 n THR 27 N 1.02 4.36 -3.48 0.00 -2.24 -1.26 -4.30 114.28 108.39 2kr1 n THR 27 Ca -0.01 -5.73 -0.08 0.00 -2.27 0.00 0.00 64.05 55.96 2kr1 n THR 27 Cb 0.49 -1.62 -0.08 0.00 -2.10 0.00 0.00 70.33 67.02 2kr1 n THR 27 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2kr1 s ASN 28 N -2.39 -0.08 0.63 3.42 2.47 -1.26 -5.03 114.94 112.71 2kr1 s ASN 28 Ca 0.42 0.61 0.39 0.00 0.42 0.00 0.00 52.86 54.70 2kr1 s ASN 28 Cb 0.20 1.28 2.13 0.00 -1.45 0.00 0.00 41.25 43.42 2kr1 s ASN 28 CO -0.09 -0.27 2.29 1.05 -3.72 0.00 0.00 177.10 176.37 2kr1 h GLU 29 N 8.17 0.00 -1.00 0.43 4.11 -1.93 -2.48 114.58 121.88 2kr1 h GLU 29 Ca -0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.99 2kr1 h GLU 29 Cb 1.13 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 2kr1 h GLU 29 CO 0.20 0.01 0.33 1.19 0.07 0.00 0.00 179.01 180.81 2kr1 n PHE 30 N -3.32 1.55 -3.68 2.06 3.72 -1.26 -4.72 117.46 111.81 2kr1 n PHE 30 Ca -0.03 -1.17 -0.14 0.00 -0.05 0.00 0.00 57.45 56.07 2kr1 n PHE 30 Cb 0.10 -0.60 -0.08 0.00 -0.94 0.00 0.00 39.48 37.96 2kr1 n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kr1 s ALA 32 N -0.05 2.41 0.00 0.00 0.00 -0.27 -3.79 121.76 120.07 2kr1 s ALA 32 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2kr1 s ALA 32 Cb -0.03 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2kr1 s ALA 32 CO 0.02 -1.68 0.00 0.43 0.00 0.00 0.00 175.76 174.53 2kr1 n SER 33 N -3.36 -1.53 -4.83 0.00 7.64 -1.26 -3.85 113.62 106.43 2kr1 n SER 33 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.59 2kr1 n SER 33 Cb 0.58 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kr1 h PRO 35 N 4.82 0.00 0.00 0.00 0.11 -1.87 -2.91 132.00 132.15 2kr1 h PRO 35 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2kr1 h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kr1 h PRO 35 CO 0.59 0.11 -0.32 0.25 -0.21 0.00 0.00 178.00 178.42 2kr1 n THR 36 N -3.33 0.05 -3.10 -1.15 -2.24 -1.26 -4.91 114.28 98.34 2kr1 n THR 36 Ca -0.00 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 2kr1 n THR 36 Cb 0.32 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 2kr1 n THR 36 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kr1 s PHE 37 N -3.02 3.67 -0.03 4.78 5.36 -1.10 -4.98 117.98 122.66 2kr1 s PHE 37 Ca 0.12 1.39 0.07 0.00 -0.96 0.00 0.00 56.93 57.55 2kr1 s PHE 37 Cb 0.18 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 40.22 2kr1 s PHE 37 CO 0.64 0.35 -0.25 -1.17 -1.46 0.00 0.00 175.22 173.33 2kr1 s LEU 38 N -1.91 2.05 0.57 6.12 2.96 -1.26 -4.98 118.68 122.23 2kr1 s LEU 38 Ca 0.42 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.69 2kr1 s LEU 38 Cb -0.17 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2kr1 s LEU 38 CO 0.21 0.29 1.14 -0.13 -1.32 0.00 0.00 176.35 176.54 2kr1 s ARG 39 N -0.50 3.19 0.33 1.98 1.81 -1.26 -5.05 118.95 119.44 2kr1 s ARG 39 Ca 0.07 1.59 0.07 0.00 -1.72 0.00 0.00 55.73 55.74 2kr1 s ARG 39 Cb -0.10 -1.98 -0.03 0.00 -0.45 0.00 0.00 34.95 32.38 2kr1 s ARG 39 CO -0.00 -0.98 0.27 0.00 -0.68 0.00 0.00 175.30 173.91 2kr1 s MET 40 N -3.46 1.74 0.52 3.54 0.23 -1.26 -5.17 119.30 115.45 2kr1 s MET 40 Ca 0.72 -2.01 -0.13 0.00 -1.03 0.00 0.00 55.69 53.24 2kr1 s MET 40 Cb -0.24 0.31 -0.06 0.00 -1.53 0.00 0.00 34.83 33.31 2kr1 s MET 40 CO 0.31 -0.64 0.95 0.34 -2.03 0.00 0.00 175.02 173.95 2kr1 s ASP 41 N -3.37 6.48 0.35 -1.18 2.15 -1.26 -4.94 116.67 114.90 2kr1 s ASP 41 Ca 0.41 1.42 0.03 0.00 0.43 0.00 0.00 52.55 54.84 2kr1 s ASP 41 Cb 0.02 -2.45 0.65 0.00 -0.30 0.00 0.00 42.92 40.84 2kr1 s ASP 41 CO 0.27 -0.63 1.99 -0.55 -0.17 0.00 0.00 175.17 176.08 2kr1 h ASN 42 N 0.59 0.67 0.58 -0.34 -0.00 -2.02 -0.55 115.58 114.52 2kr1 h ASN 42 Ca -0.46 -0.04 -0.16 0.00 -0.00 0.00 0.00 56.30 55.64 2kr1 h ASN 42 Cb 1.19 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 39.32 2kr1 h ASN 42 CO 0.62 0.52 -0.73 0.78 -0.00 0.00 0.00 177.43 178.63 2kr1 h ASN 43 N 0.77 0.14 -0.17 6.14 4.21 -1.98 -1.01 115.58 123.67 2kr1 h ASN 43 Ca 0.20 -0.10 -0.10 0.00 1.21 0.00 0.00 56.30 57.51 2kr1 h ASN 43 Cb -0.02 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 2kr1 h ASN 43 CO -0.04 0.82 -0.23 0.00 -1.29 0.00 0.00 177.43 176.69 2kr1 h ALA 44 N 1.18 0.99 -0.06 -0.83 0.00 -1.76 -1.32 119.26 117.47 2kr1 h ALA 44 Ca -0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2kr1 h ALA 44 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2kr1 h ALA 44 CO 0.10 0.60 -0.52 0.00 0.00 0.00 0.00 179.25 179.43 2kr1 h ALA 45 N 1.19 1.02 -0.13 0.00 0.00 -0.97 -1.88 119.26 118.50 2kr1 h ALA 45 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2kr1 h ALA 45 Cb 0.70 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kr1 h ALA 45 CO 0.05 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 2kr1 h ALA 46 N 1.34 0.19 -0.12 0.00 0.00 -0.83 -0.73 119.26 119.11 2kr1 h ALA 46 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kr1 h ALA 46 Cb 0.96 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kr1 h ALA 46 CO 0.08 0.01 0.04 0.82 0.00 0.00 0.00 179.25 180.20 2kr1 h ILE 47 N -0.07 1.17 -0.12 0.00 1.08 -1.27 -2.65 117.51 115.65 2kr1 h ILE 47 Ca 0.03 -0.51 -0.08 0.00 -0.39 0.00 0.00 64.86 63.91 2kr1 h ILE 47 Cb 0.58 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 2kr1 h ILE 47 CO 0.02 0.15 -0.26 0.50 -0.69 0.00 0.00 178.15 177.87 2kr1 h LYS 48 N 0.01 0.22 -0.71 2.37 1.63 -1.40 -1.53 116.57 117.16 2kr1 h LYS 48 Ca 0.04 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2kr1 h LYS 48 Cb 0.20 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 2kr1 h LYS 48 CO -0.00 0.48 0.34 0.00 -3.45 0.00 0.00 179.45 176.82 2kr1 h ALA 49 N 1.53 1.26 -0.29 5.00 0.00 -0.95 0.77 119.26 126.58 2kr1 h ALA 49 Ca 0.03 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2kr1 h ALA 49 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kr1 h ALA 49 CO 0.04 0.57 -0.40 -0.07 0.00 0.00 0.00 179.25 179.39 2kr1 h LEU 50 N 1.01 0.74 -0.82 0.00 -0.00 -1.07 -0.45 115.31 114.72 2kr1 h LEU 50 Ca 0.25 -0.34 -0.04 0.00 -0.00 0.00 0.00 57.88 57.75 2kr1 h LEU 50 Cb 0.11 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 40.52 2kr1 h LEU 50 CO -0.03 1.05 0.35 -0.33 -0.00 0.00 0.00 178.44 179.48 2kr1 h GLU 51 N 0.57 1.21 -0.08 1.13 4.39 -0.62 -1.53 114.58 119.65 2kr1 h GLU 51 Ca 0.05 -0.21 -0.19 0.00 0.34 0.00 0.00 59.36 59.35 2kr1 h GLU 51 Cb 0.94 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2kr1 h GLU 51 CO 0.09 0.96 -0.73 -0.07 -1.16 0.00 0.00 179.01 178.10 2kr1 h LEU 52 N 1.19 0.51 -0.36 1.33 3.38 -0.77 -2.75 115.31 117.83 2kr1 h LEU 52 Ca 0.28 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2kr1 h LEU 52 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2kr1 h LEU 52 CO -0.03 1.08 -0.35 0.22 0.09 0.00 0.00 178.44 179.45 2kr1 h TYR 53 N 0.29 1.06 -0.09 1.13 3.20 -0.92 -0.29 116.97 121.35 2kr1 h TYR 53 Ca -0.03 -0.32 -0.20 0.00 3.14 0.00 0.00 58.73 61.33 2kr1 h TYR 53 Cb 1.31 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 2kr1 h TYR 53 CO 0.05 1.13 -0.76 1.57 -1.64 0.00 0.00 178.16 178.50 2kr1 h LYS 54 N 0.69 0.49 0.00 1.82 2.10 -1.30 -3.14 116.57 117.23 2kr1 h LYS 54 Ca 0.06 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2kr1 h LYS 54 Cb 0.94 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2kr1 h LYS 54 CO 0.09 1.05 -0.37 0.44 -2.00 0.00 0.00 179.45 178.65 2kr1 n ILE 55 N -3.85 0.21 -3.18 0.07 -5.35 -1.04 -4.98 119.36 101.23 2kr1 n ILE 55 Ca -0.05 -0.13 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 2kr1 n ILE 55 Cb 0.73 -0.15 0.03 0.00 -1.74 0.00 0.00 39.64 38.51 2kr1 n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kr1 n ASN 56 N -1.82 -7.19 -3.85 7.28 5.03 -0.48 -5.02 115.26 109.21 2kr1 n ASN 56 Ca 0.05 -0.38 -0.30 0.00 0.87 0.00 0.00 54.58 54.82 2kr1 n ASN 56 Cb 0.39 -5.12 0.23 0.00 -1.02 0.00 0.00 39.78 34.25 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kr1 s ALA 57 N -3.17 1.02 -0.70 5.41 0.00 -0.24 -4.89 121.76 119.19 2kr1 s ALA 57 Ca 0.20 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 2kr1 s ALA 57 Cb -0.03 -2.84 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 2kr1 s ALA 57 CO 0.75 -3.32 2.24 0.15 0.00 0.00 0.00 175.76 175.58 2kr1 s LYS 58 N -5.56 2.07 -0.34 0.00 1.02 -1.26 -4.92 119.74 110.75 2kr1 s LYS 58 Ca 0.72 0.63 -0.22 0.00 0.02 0.00 0.00 55.97 57.12 2kr1 s LYS 58 Cb -0.08 -4.72 0.00 0.00 -0.52 0.00 0.00 37.83 32.52 2kr1 s LYS 58 CO 0.55 -3.66 0.73 -1.17 -0.92 0.00 0.00 175.35 170.88 2kr1 s LEU 59 N 12.34 4.15 -1.32 3.17 2.96 -1.26 -4.96 118.68 133.75 2kr1 s LEU 59 Ca 0.86 0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 2kr1 s LEU 59 Cb -0.13 -2.96 0.10 0.00 0.50 0.00 0.00 46.19 43.70 2kr1 s LEU 59 CO 0.13 -0.64 1.84 0.00 -1.32 0.00 0.00 176.35 176.36 2kr1 s ASP 61 N 2.99 6.63 -0.15 0.00 -4.77 -1.26 -4.88 116.67 115.23 2kr1 s ASP 61 Ca 0.47 0.76 -0.29 0.00 -3.30 0.00 0.00 52.55 50.19 2kr1 s ASP 61 Cb 0.06 -2.17 -0.06 0.00 -1.09 0.00 0.00 42.92 39.67 2kr1 s ASP 61 CO 0.00 0.20 2.07 -2.84 0.70 0.00 0.00 175.17 175.30 2kr1 s PRO 62 N -1.83 3.51 -0.51 2.11 0.02 -1.26 -4.97 135.00 132.07 2kr1 s PRO 62 Ca 0.31 2.15 -0.21 0.00 0.02 0.00 0.00 61.00 63.27 2kr1 s PRO 62 Cb -0.14 -4.27 0.05 0.00 0.02 0.00 0.00 34.50 30.16 2kr1 s PRO 62 CO 0.17 -1.67 0.74 -1.01 -0.33 0.00 0.00 177.00 174.90 2kr1 s HIS 63 N 6.79 2.96 -2.29 6.54 3.76 -1.26 -5.31 115.29 126.48 2kr1 s HIS 63 Ca 0.93 -0.29 0.30 0.00 -0.15 0.00 0.00 55.06 55.85 2kr1 s HIS 63 Cb -0.35 -3.70 1.42 0.00 1.11 0.00 0.00 32.58 31.06 2kr1 s HIS 63 CO 0.36 -1.12 1.95 -0.35 -0.85 0.00 0.00 174.74 174.73