#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kr1 s LYS 2 N 0.00 3.68 -0.25 2.12 3.01 -1.26 -4.95 119.74 122.09 2kr1 s LYS 2 Ca 0.00 1.51 0.02 0.00 -1.01 0.00 0.00 55.97 56.49 2kr1 s LYS 2 Cb 0.00 -2.15 0.33 0.00 -1.01 0.00 0.00 37.83 35.01 2kr1 s LYS 2 CO 0.00 -0.56 1.56 0.54 0.51 0.00 0.00 175.35 177.40 2kr1 n ARG 3 N -0.93 1.69 -0.05 1.68 5.12 -1.26 -4.36 116.66 118.54 2kr1 n ARG 3 Ca 0.09 -1.59 -0.13 0.00 -1.93 0.00 0.00 57.85 54.29 2kr1 n ARG 3 Cb 0.51 -1.62 -0.07 0.00 -1.16 0.00 0.00 32.46 30.12 2kr1 n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kr1 h ALA 4 N 1.48 0.22 -0.33 7.54 0.00 -1.98 0.17 119.26 126.36 2kr1 h ALA 4 Ca 0.33 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2kr1 h ALA 4 Cb 1.82 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2kr1 h ALA 4 CO 0.62 0.12 -0.15 0.00 0.00 0.00 0.00 179.25 179.84 2kr1 h ALA 5 N 0.60 1.12 -0.21 0.00 0.00 -2.00 -1.23 119.26 117.54 2kr1 h ALA 5 Ca 0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2kr1 h ALA 5 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kr1 h ALA 5 CO 0.04 0.55 -0.44 0.00 0.00 0.00 0.00 179.25 179.40 2kr1 h ALA 6 N 1.31 0.84 -0.40 0.00 0.00 -1.84 -1.98 119.26 117.20 2kr1 h ALA 6 Ca 0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2kr1 h ALA 6 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kr1 h ALA 6 CO 0.04 0.65 -0.35 -0.22 0.00 0.00 0.00 179.25 179.37 2kr1 h LYS 7 N 0.42 0.92 -0.69 0.00 3.64 -0.32 -1.26 116.57 119.29 2kr1 h LYS 7 Ca 0.03 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 2kr1 h LYS 7 Cb 0.94 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2kr1 h LYS 7 CO 0.08 1.11 0.20 0.45 -2.27 0.00 0.00 179.45 179.03 2kr1 h HIS 8 N 0.76 1.12 -0.55 1.91 3.86 -1.21 -0.32 115.15 120.72 2kr1 h HIS 8 Ca 0.07 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 2kr1 h HIS 8 Cb 0.93 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 2kr1 h HIS 8 CO 0.06 0.90 0.20 1.25 0.86 0.00 0.00 177.93 181.20 2kr1 h LEU 9 N 1.01 0.77 -0.98 2.43 7.12 -1.09 -1.20 115.31 123.37 2kr1 h LEU 9 Ca 0.22 -0.19 -0.07 0.00 0.13 0.00 0.00 57.88 57.97 2kr1 h LEU 9 Cb 0.32 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.23 2kr1 h LEU 9 CO -0.00 0.75 -0.01 0.40 -0.13 0.00 0.00 178.44 179.45 2kr1 h ILE 10 N 0.75 1.23 -0.16 4.05 2.04 -1.16 -2.59 117.51 121.67 2kr1 h ILE 10 Ca 0.18 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 2kr1 h ILE 10 Cb 0.23 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2kr1 h ILE 10 CO -0.01 0.34 -0.14 -0.08 0.00 0.00 0.00 178.15 178.26 2kr1 h GLU 11 N 0.68 0.25 -0.05 2.37 4.57 -0.30 0.12 114.58 122.23 2kr1 h GLU 11 Ca 0.13 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 58.02 2kr1 h GLU 11 Cb 0.43 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2kr1 h GLU 11 CO 0.02 0.40 -0.92 0.00 -1.18 0.00 0.00 179.01 177.34 2kr1 h ARG 12 N 0.24 0.61 -0.59 1.92 3.08 -1.02 -0.58 114.38 118.03 2kr1 h ARG 12 Ca 0.05 -0.59 -0.07 0.00 0.07 0.00 0.00 59.98 59.43 2kr1 h ARG 12 Cb 0.40 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2kr1 h ARG 12 CO 0.02 1.21 0.10 1.88 -1.07 0.00 0.00 179.97 182.11 2kr1 h TYR 13 N 0.37 1.04 -0.52 3.04 0.05 -1.06 -1.39 116.97 118.49 2kr1 h TYR 13 Ca -0.09 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.45 2kr1 h TYR 13 Cb 1.55 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.98 2kr1 h TYR 13 CO 0.08 0.90 -0.09 -0.92 -1.05 0.00 0.00 178.16 177.08 2kr1 h TYR 14 N 0.88 1.06 -0.90 4.88 3.20 -0.75 -1.95 116.97 123.39 2kr1 h TYR 14 Ca 0.18 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2kr1 h TYR 14 Cb 0.42 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2kr1 h TYR 14 CO 0.03 0.99 0.59 1.25 -1.64 0.00 0.00 178.16 179.38 2kr1 h HIS 15 N 0.87 1.14 -0.56 -3.82 2.76 -1.01 -1.89 115.15 112.63 2kr1 h HIS 15 Ca 0.14 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2kr1 h HIS 15 Cb 0.63 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 2kr1 h HIS 15 CO 0.04 0.73 0.33 0.37 -1.30 0.00 0.00 177.93 178.09 2kr1 h GLN 16 N 1.22 0.76 -0.36 5.26 4.15 -0.58 0.15 115.11 125.72 2kr1 h GLN 16 Ca 0.33 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.54 2kr1 h GLN 16 Cb -0.13 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 2kr1 h GLN 16 CO -0.07 0.56 -0.30 -0.07 -1.93 0.00 0.00 178.83 177.02 2kr1 h LEU 17 N 0.75 0.79 0.00 -2.39 -0.00 -1.09 0.62 115.31 114.00 2kr1 h LEU 17 Ca 0.20 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2kr1 h LEU 17 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2kr1 h LEU 17 CO -0.04 1.04 -0.20 0.71 -0.00 0.00 0.00 178.44 179.95 2kr1 h THR 18 N 0.65 0.00 0.07 0.22 1.35 -1.16 -3.39 112.91 110.65 2kr1 h THR 18 Ca 0.07 -0.41 -0.18 0.00 -0.55 0.00 0.00 66.41 65.35 2kr1 h THR 18 Cb 0.83 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2kr1 h THR 18 CO 0.07 0.00 -0.90 -0.33 -0.25 0.00 0.00 175.52 174.11 2kr1 h GLU 19 N -0.41 0.16 0.00 4.72 4.39 -1.03 -3.46 114.58 118.95 2kr1 h GLU 19 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2kr1 h GLU 19 Cb 0.20 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2kr1 h GLU 19 CO 0.00 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 2kr1 n GLY 20 N 1.64 1.16 0.00 -3.84 0.00 0.15 -4.28 105.19 100.02 2kr1 n GLY 20 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 2.60 3.64 0.00 0.00 -1.26 -5.02 105.19 105.14 2kr1 n GLY 22 Ca 0.00 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 0.71 2.12 0.10 1.61 4.13 -1.26 -4.96 115.26 117.71 2kr1 n ASN 23 Ca 0.00 1.16 -0.08 0.00 1.68 0.00 0.00 54.58 57.34 2kr1 n ASN 23 Cb 0.00 -1.36 -0.05 0.00 -1.54 0.00 0.00 39.78 36.83 2kr1 n ASN 23 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2kr1 h GLU 24 N 3.29 -0.34 -4.93 3.52 4.57 -1.96 -3.42 114.58 115.32 2kr1 h GLU 24 Ca -0.44 0.02 -0.68 0.00 -1.18 0.00 0.00 59.36 57.09 2kr1 h GLU 24 Cb 1.31 0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 29.79 2kr1 h GLU 24 CO 0.69 -0.07 0.20 0.00 -1.18 0.00 0.00 179.01 178.65 2kr1 s ALA 25 N -3.64 3.34 -0.12 2.92 0.00 -1.26 -4.72 121.76 118.29 2kr1 s ALA 25 Ca -0.09 -2.02 -0.02 0.00 0.00 0.00 0.00 51.96 49.82 2kr1 s ALA 25 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.60 2kr1 s ALA 25 CO 0.30 -2.37 0.04 0.00 0.00 0.00 0.00 175.76 173.73 2kr1 n THR 27 N 5.17 5.14 -3.86 0.00 5.66 -1.26 -4.60 114.28 120.53 2kr1 n THR 27 Ca -0.07 -4.34 -0.25 0.00 -3.05 0.00 0.00 64.05 56.34 2kr1 n THR 27 Cb 0.49 -1.98 -0.17 0.00 -1.55 0.00 0.00 70.33 67.12 2kr1 n THR 27 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2kr1 s ASN 28 N 0.22 1.90 0.44 1.09 3.84 -1.26 -5.04 114.94 116.13 2kr1 s ASN 28 Ca 0.53 -0.20 0.21 0.00 0.21 0.00 0.00 52.86 53.61 2kr1 s ASN 28 Cb 0.21 -0.66 1.02 0.00 -0.55 0.00 0.00 41.25 41.26 2kr1 s ASN 28 CO -0.11 -0.15 1.90 1.05 -2.79 0.00 0.00 177.10 177.00 2kr1 h GLU 29 N 8.22 0.00 -0.45 0.43 4.11 -1.89 -2.79 114.58 122.21 2kr1 h GLU 29 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2kr1 h GLU 29 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kr1 h GLU 29 CO 0.34 0.25 0.00 1.19 0.07 0.00 0.00 179.01 180.87 2kr1 n PHE 30 N -3.74 0.59 -4.13 2.06 3.72 -1.26 -4.13 117.46 110.57 2kr1 n PHE 30 Ca -0.01 -0.29 -0.35 0.00 -0.05 0.00 0.00 57.45 56.74 2kr1 n PHE 30 Cb 0.36 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.23 2.76 -1.16 0.00 0.00 0.20 -3.30 121.76 120.04 2kr1 s ALA 32 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2kr1 s ALA 32 Cb -0.12 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2kr1 s ALA 32 CO 0.02 -1.05 0.00 0.43 0.00 0.00 0.00 175.76 175.15 2kr1 n SER 33 N -2.86 -4.96 -4.58 0.00 7.64 -1.26 -4.10 113.62 103.51 2kr1 n SER 33 Ca 0.07 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 59.91 2kr1 n SER 33 Cb 0.53 -3.42 -0.10 0.00 -1.01 0.00 0.00 64.21 60.21 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kr1 n PRO 35 N 1.28 0.00 -0.14 0.00 -0.04 -1.26 -2.47 135.00 132.36 2kr1 n PRO 35 Ca -0.15 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2kr1 n PRO 35 Cb 0.52 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 2kr1 n PRO 35 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kr1 n THR 36 N -1.50 0.38 -4.45 0.52 -2.24 -1.26 -4.89 114.28 100.83 2kr1 n THR 36 Ca 0.04 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 61.03 2kr1 n THR 36 Cb 0.19 0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.62 1.01 0.26 4.78 5.36 -1.03 -4.67 117.98 122.06 2kr1 s PHE 37 Ca 0.36 -0.23 0.06 0.00 -0.96 0.00 0.00 56.93 56.16 2kr1 s PHE 37 Cb 0.20 -0.69 -0.03 0.00 -0.34 0.00 0.00 43.02 42.17 2kr1 s PHE 37 CO 0.29 -0.07 0.30 -0.51 -1.46 0.00 0.00 175.22 173.77 2kr1 s LEU 38 N -0.00 4.06 0.04 6.12 2.01 -1.26 -4.74 118.68 124.90 2kr1 s LEU 38 Ca -0.00 -0.10 -0.31 0.00 0.01 0.00 0.00 54.13 53.73 2kr1 s LEU 38 Cb -0.07 -2.62 -0.06 0.00 0.01 0.00 0.00 46.19 43.45 2kr1 s LEU 38 CO 0.00 -0.10 1.41 -0.13 1.01 0.00 0.00 176.35 178.55 2kr1 s ARG 39 N -3.94 4.29 0.00 1.70 1.81 -1.26 -5.02 118.95 116.53 2kr1 s ARG 39 Ca 0.35 2.02 0.00 0.00 -1.72 0.00 0.00 55.73 56.37 2kr1 s ARG 39 Cb -0.08 -3.48 0.00 0.00 -0.45 0.00 0.00 34.95 30.94 2kr1 s ARG 39 CO 0.27 -0.54 0.00 0.00 -0.68 0.00 0.00 175.30 174.36 2kr1 n MET 40 N 4.95 1.52 -4.10 3.54 0.00 -1.26 -5.16 117.12 116.61 2kr1 n MET 40 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.61 2kr1 n MET 40 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.61 2kr1 n MET 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2kr1 s ASP 41 N -0.93 5.47 0.25 3.17 2.15 -1.26 -5.01 116.67 120.51 2kr1 s ASP 41 Ca 0.00 -0.28 -0.04 0.00 0.43 0.00 0.00 52.55 52.65 2kr1 s ASP 41 Cb 0.00 -1.35 0.34 0.00 -0.30 0.00 0.00 42.92 41.60 2kr1 s ASP 41 CO 0.00 -0.06 1.89 -0.55 -0.17 0.00 0.00 175.17 176.28 2kr1 h ASN 42 N 1.49 1.03 -0.27 -0.34 7.08 -2.01 -0.05 115.58 122.51 2kr1 h ASN 42 Ca -0.48 -0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 52.58 2kr1 h ASN 42 Cb 1.24 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 37.25 2kr1 h ASN 42 CO 0.61 0.69 -0.42 0.78 -2.08 0.00 0.00 177.43 177.00 2kr1 h ASN 43 N 1.19 0.89 -0.08 6.14 -0.26 -1.99 -2.52 115.58 118.94 2kr1 h ASN 43 Ca 0.40 -0.42 -0.08 0.00 -0.56 0.00 0.00 56.30 55.64 2kr1 h ASN 43 Cb 0.06 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 2kr1 h ASN 43 CO -0.14 1.19 -0.18 0.00 -1.06 0.00 0.00 177.43 177.24 2kr1 h ALA 44 N 0.85 1.22 -0.32 -0.83 0.00 -1.78 -1.33 119.26 117.06 2kr1 h ALA 44 Ca 0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2kr1 h ALA 44 Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kr1 h ALA 44 CO 0.10 0.51 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 2kr1 h ALA 45 N 1.40 0.75 -0.14 0.00 0.00 -0.94 -1.31 119.26 119.02 2kr1 h ALA 45 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2kr1 h ALA 45 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kr1 h ALA 45 CO 0.04 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.88 2kr1 h ALA 46 N 0.97 0.20 -0.02 0.00 0.00 -1.12 -1.39 119.26 117.90 2kr1 h ALA 46 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kr1 h ALA 46 Cb 0.90 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kr1 h ALA 46 CO 0.08 -0.01 0.01 0.82 0.00 0.00 0.00 179.25 180.15 2kr1 h ILE 47 N -0.04 1.08 0.00 0.00 1.08 -1.27 -2.80 117.51 115.56 2kr1 h ILE 47 Ca 0.03 -0.23 -0.07 0.00 -0.39 0.00 0.00 64.86 64.20 2kr1 h ILE 47 Cb 0.52 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2kr1 h ILE 47 CO 0.02 0.06 -0.33 0.50 -0.69 0.00 0.00 178.15 177.72 2kr1 h LYS 48 N -0.07 0.00 -0.38 2.37 1.63 -1.28 -0.34 116.57 118.50 2kr1 h LYS 48 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2kr1 h LYS 48 Cb 0.09 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2kr1 h LYS 48 CO -0.00 0.33 0.25 0.00 -3.45 0.00 0.00 179.45 176.57 2kr1 h ALA 49 N 1.67 0.48 -0.38 5.00 0.00 -1.10 -0.32 119.26 124.60 2kr1 h ALA 49 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2kr1 h ALA 49 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kr1 h ALA 49 CO 0.04 -0.07 -0.27 -0.07 0.00 0.00 0.00 179.25 178.88 2kr1 h LEU 50 N 0.51 0.83 0.52 0.00 -0.00 -1.12 -2.39 115.31 113.66 2kr1 h LEU 50 Ca 0.14 -0.32 -0.03 0.00 -0.00 0.00 0.00 57.88 57.67 2kr1 h LEU 50 Cb -0.05 -0.23 0.01 0.00 -0.00 0.00 0.00 40.66 40.38 2kr1 h LEU 50 CO -0.03 1.05 -0.25 -0.33 -0.00 0.00 0.00 178.44 178.88 2kr1 h GLU 51 N 0.69 -0.67 -0.20 1.13 4.39 -0.81 -2.19 114.58 116.91 2kr1 h GLU 51 Ca 0.08 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2kr1 h GLU 51 Cb 0.80 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2kr1 h GLU 51 CO 0.07 -0.45 0.04 -0.07 -1.16 0.00 0.00 179.01 177.44 2kr1 h LEU 52 N -0.71 0.25 0.52 1.33 3.38 -1.09 -0.99 115.31 118.01 2kr1 h LEU 52 Ca -0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2kr1 h LEU 52 Cb 0.54 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kr1 h LEU 52 CO 0.12 0.27 -0.25 0.22 0.09 0.00 0.00 178.44 178.89 2kr1 h TYR 53 N 0.28 -0.64 0.00 1.13 3.20 -1.34 -0.97 116.97 118.63 2kr1 h TYR 53 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2kr1 h TYR 53 Cb 0.13 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2kr1 h TYR 53 CO 0.00 -0.32 0.00 1.57 -1.64 0.00 0.00 178.16 177.77 2kr1 h LYS 54 N -0.91 0.00 0.00 1.82 2.10 -0.89 -2.60 116.57 116.09 2kr1 h LYS 54 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2kr1 h LYS 54 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2kr1 h LYS 54 CO 0.12 0.00 -1.03 0.44 -2.00 0.00 0.00 179.45 176.97 2kr1 n ILE 55 N -2.53 0.20 -2.87 0.07 -5.35 -0.42 -5.02 119.36 103.43 2kr1 n ILE 55 Ca 0.05 -0.27 -0.02 0.00 -0.27 0.00 0.00 62.75 62.23 2kr1 n ILE 55 Cb 0.43 0.15 0.01 0.00 -1.74 0.00 0.00 39.64 38.50 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 -2.02 -6.83 -4.54 7.28 5.03 -0.93 -5.06 115.26 108.19 2kr1 n ASN 56 Ca 0.02 -0.16 -0.26 0.00 0.87 0.00 0.00 54.58 55.05 2kr1 n ASN 56 Cb 0.45 -4.70 0.13 0.00 -1.02 0.00 0.00 39.78 34.64 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 -3.06 3.15 -0.60 5.41 0.00 -0.41 -5.00 121.76 121.24 2kr1 s ALA 57 Ca 0.07 -1.44 -0.27 0.00 0.00 0.00 0.00 51.96 50.33 2kr1 s ALA 57 Cb -0.01 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 2kr1 s ALA 57 CO 0.65 -1.74 1.87 -1.59 0.00 0.00 0.00 175.76 174.94 2kr1 s LYS 58 N -5.39 2.65 -0.03 0.00 -2.85 -1.26 -4.98 119.74 107.87 2kr1 s LYS 58 Ca 0.68 0.65 -0.26 0.00 -1.00 0.00 0.00 55.97 56.04 2kr1 s LYS 58 Cb -0.06 -4.38 -0.04 0.00 -2.06 0.00 0.00 37.83 31.29 2kr1 s LYS 58 CO 0.47 -2.71 0.80 -1.17 0.10 0.00 0.00 175.35 172.84 2kr1 s LEU 59 N 9.04 4.35 -0.16 2.77 2.96 -1.26 -4.89 118.68 131.49 2kr1 s LEU 59 Ca 0.68 1.38 0.14 0.00 -0.22 0.00 0.00 54.13 56.11 2kr1 s LEU 59 Cb -0.13 -3.26 -0.24 0.00 0.50 0.00 0.00 46.19 43.06 2kr1 s LEU 59 CO 0.21 -0.15 0.23 0.00 -1.32 0.00 0.00 176.35 175.32 2kr1 s ASP 61 N -5.81 6.89 -0.33 0.00 1.11 -1.26 -4.95 116.67 112.32 2kr1 s ASP 61 Ca -0.11 1.93 -0.28 0.00 0.18 0.00 0.00 52.55 54.27 2kr1 s ASP 61 Cb 0.07 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 2kr1 s ASP 61 CO 0.81 -0.75 2.30 -2.65 1.18 0.00 0.00 175.17 176.06 2kr1 n PRO 62 N 6.10 1.57 -2.29 8.23 -0.02 -1.26 -4.95 135.00 142.39 2kr1 n PRO 62 Ca 0.14 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 2kr1 n PRO 62 Cb 0.44 -3.26 -0.03 0.00 -0.02 0.00 0.00 33.50 30.64 2kr1 n PRO 62 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2kr1 s HIS 63 N 9.69 3.30 -1.91 6.00 -3.43 -1.26 -5.17 115.29 122.52 2kr1 s HIS 63 Ca 1.01 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 56.81 2kr1 s HIS 63 Cb -0.32 -3.49 0.00 0.00 -1.43 0.00 0.00 32.58 27.34 2kr1 s HIS 63 CO 0.33 -1.25 0.48 -2.30 -2.00 0.00 0.00 174.74 170.00