#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 2.61 0.00 3.17 1.02 -1.26 -4.96 119.74 120.31 2kr1 s LYS 2 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.09 2kr1 s LYS 2 Cb 0.00 -4.76 0.00 0.00 -0.52 0.00 0.00 37.83 32.55 2kr1 s LYS 2 CO 0.00 -3.07 0.00 0.54 -0.92 0.00 0.00 175.35 171.90 2kr1 n ARG 3 N 9.01 0.50 -0.15 1.68 1.74 -1.26 -4.69 116.66 123.48 2kr1 n ARG 3 Ca 0.31 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.32 2kr1 n ARG 3 Cb 0.49 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.95 2kr1 n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kr1 h ALA 4 N -1.86 0.59 -0.73 7.54 0.00 -1.98 -0.35 119.26 122.47 2kr1 h ALA 4 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kr1 h ALA 4 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2kr1 h ALA 4 CO 0.00 0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.63 2kr1 h ALA 5 N 1.16 1.20 -0.16 0.00 0.00 -1.94 0.25 119.26 119.77 2kr1 h ALA 5 Ca 0.17 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2kr1 h ALA 5 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2kr1 h ALA 5 CO -0.04 0.60 -0.51 0.00 0.00 0.00 0.00 179.25 179.31 2kr1 h ALA 6 N 1.31 0.28 0.00 0.00 0.00 -1.84 -0.72 119.26 118.30 2kr1 h ALA 6 Ca 0.25 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2kr1 h ALA 6 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kr1 h ALA 6 CO -0.03 0.46 -0.68 -0.22 0.00 0.00 0.00 179.25 178.78 2kr1 h LYS 7 N 0.30 0.00 -0.06 0.00 3.64 -0.95 -1.77 116.57 117.73 2kr1 h LYS 7 Ca -0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2kr1 h LYS 7 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2kr1 h LYS 7 CO 0.11 0.68 -0.63 0.45 -2.27 0.00 0.00 179.45 177.79 2kr1 h HIS 8 N 0.00 0.29 -0.29 1.91 3.86 -0.94 -0.62 115.15 119.35 2kr1 h HIS 8 Ca -0.01 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 2kr1 h HIS 8 Cb 1.21 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 2kr1 h HIS 8 CO 0.00 0.79 0.11 1.25 0.86 0.00 0.00 177.93 180.94 2kr1 h LEU 9 N 0.16 0.41 -1.11 2.43 7.12 -0.75 -0.08 115.31 123.48 2kr1 h LEU 9 Ca -0.01 -0.18 0.01 0.00 0.13 0.00 0.00 57.88 57.83 2kr1 h LEU 9 Cb 1.14 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 41.12 2kr1 h LEU 9 CO 0.10 0.47 0.60 0.40 -0.13 0.00 0.00 178.44 179.88 2kr1 h ILE 10 N 0.32 1.23 -0.14 4.05 2.04 -1.31 -2.23 117.51 121.47 2kr1 h ILE 10 Ca 0.10 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 2kr1 h ILE 10 Cb 0.20 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 2kr1 h ILE 10 CO -0.01 0.22 -0.18 -0.08 0.00 0.00 0.00 178.15 178.11 2kr1 h GLU 11 N 1.22 0.23 -0.17 2.37 4.57 -0.60 0.67 114.58 122.88 2kr1 h GLU 11 Ca 0.33 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.39 2kr1 h GLU 11 Cb -0.14 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2kr1 h GLU 11 CO -0.07 0.42 -0.11 0.00 -1.18 0.00 0.00 179.01 178.07 2kr1 h ARG 12 N 0.22 0.37 -0.57 1.92 2.47 -0.44 -0.72 114.38 117.63 2kr1 h ARG 12 Ca 0.04 -0.17 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 2kr1 h ARG 12 Cb 0.45 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 2kr1 h ARG 12 CO 0.03 0.70 0.11 1.88 0.56 0.00 0.00 179.97 183.25 2kr1 h TYR 13 N 0.03 0.94 -0.05 3.04 0.05 -1.21 0.62 116.97 120.39 2kr1 h TYR 13 Ca 0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2kr1 h TYR 13 Cb 0.61 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 2kr1 h TYR 13 CO 0.07 0.80 -0.00 -0.92 -1.05 0.00 0.00 178.16 177.05 2kr1 h TYR 14 N 0.85 0.10 -0.78 4.88 3.20 -0.82 -1.24 116.97 123.17 2kr1 h TYR 14 Ca 0.18 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2kr1 h TYR 14 Cb 0.36 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2kr1 h TYR 14 CO 0.02 0.40 0.51 1.25 -1.64 0.00 0.00 178.16 178.70 2kr1 h HIS 15 N -0.22 0.95 -0.53 -3.82 2.76 -1.08 -1.37 115.15 111.84 2kr1 h HIS 15 Ca 0.01 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2kr1 h HIS 15 Cb 0.36 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 2kr1 h HIS 15 CO 0.04 0.58 0.07 0.37 -1.30 0.00 0.00 177.93 177.68 2kr1 h GLN 16 N 1.01 0.90 0.01 5.26 4.15 -0.54 0.84 115.11 126.73 2kr1 h GLN 16 Ca 0.30 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2kr1 h GLN 16 Cb -0.04 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.55 2kr1 h GLN 16 CO -0.08 0.88 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.64 2kr1 h LEU 17 N 0.78 -0.01 0.25 -2.39 3.38 -1.05 0.18 115.31 116.45 2kr1 h LEU 17 Ca 0.16 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2kr1 h LEU 17 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kr1 h LEU 17 CO 0.01 0.77 -0.12 0.71 0.09 0.00 0.00 178.44 179.91 2kr1 h THR 18 N -0.79 0.00 0.01 0.22 1.35 -1.31 -3.35 112.91 109.05 2kr1 h THR 18 Ca -0.00 -0.68 -0.11 0.00 -0.55 0.00 0.00 66.41 65.08 2kr1 h THR 18 Cb 0.77 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 2kr1 h THR 18 CO 0.00 0.00 -0.56 -0.33 -0.25 0.00 0.00 175.52 174.38 2kr1 h GLU 19 N -1.01 0.03 0.00 4.72 4.39 -1.30 -3.46 114.58 117.95 2kr1 h GLU 19 Ca -0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2kr1 h GLU 19 Cb 0.26 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kr1 h GLU 19 CO 0.06 1.02 0.00 0.41 -1.16 0.00 0.00 179.01 179.34 2kr1 n GLY 20 N 1.56 0.78 0.00 -3.84 0.00 0.12 -4.67 105.19 99.15 2kr1 n GLY 20 Ca -0.19 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 3.61 0.00 0.00 -1.26 -5.00 105.19 104.70 2kr1 n GLY 22 Ca 0.00 -0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 2kr1 n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kr1 n ASN 23 N 1.18 3.20 -0.10 1.61 4.05 -1.26 -4.90 115.26 119.04 2kr1 n ASN 23 Ca 0.00 0.64 -0.11 0.00 0.45 0.00 0.00 54.58 55.56 2kr1 n ASN 23 Cb 0.00 -1.41 -0.04 0.00 1.23 0.00 0.00 39.78 39.56 2kr1 n ASN 23 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 2kr1 h GLU 24 N 11.61 0.52 -1.61 1.20 4.11 -1.95 -3.24 114.58 125.22 2kr1 h GLU 24 Ca -0.42 -0.18 -0.60 0.00 0.07 0.00 0.00 59.36 58.23 2kr1 h GLU 24 Cb 1.27 -0.04 -0.23 0.00 0.50 0.00 0.00 28.75 30.25 2kr1 h GLU 24 CO 0.97 0.69 0.75 0.00 0.07 0.00 0.00 179.01 181.48 2kr1 n ALA 25 N -2.37 6.21 -2.47 1.06 0.00 -1.26 -4.76 120.51 116.91 2kr1 n ALA 25 Ca -0.03 -3.25 -0.42 0.00 0.00 0.00 0.00 53.44 49.74 2kr1 n ALA 25 Cb 0.28 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 2kr1 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kr1 h THR 27 N 4.46 0.92 -2.49 0.00 1.35 -1.93 -3.41 112.91 111.81 2kr1 h THR 27 Ca -0.42 -2.64 -0.56 0.00 -0.55 0.00 0.00 66.41 62.24 2kr1 h THR 27 Cb 1.22 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 70.23 2kr1 h THR 27 CO 0.76 0.76 1.24 0.21 -0.25 0.00 0.00 175.52 178.25 2kr1 s ASN 28 N -6.78 6.16 0.56 5.36 3.84 -1.26 -4.89 114.94 117.92 2kr1 s ASN 28 Ca -0.12 1.91 0.33 0.00 0.21 0.00 0.00 52.86 55.19 2kr1 s ASN 28 Cb 0.07 -2.53 1.60 0.00 -0.55 0.00 0.00 41.25 39.84 2kr1 s ASN 28 CO 0.82 -1.39 2.09 1.05 -2.79 0.00 0.00 177.10 176.88 2kr1 h GLU 29 N 11.78 0.00 -0.94 0.43 9.09 -1.93 -2.35 114.58 130.66 2kr1 h GLU 29 Ca -0.39 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 58.86 2kr1 h GLU 29 Cb 1.19 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.20 2kr1 h GLU 29 CO 0.98 0.07 0.20 1.19 0.05 0.00 0.00 179.01 181.49 2kr1 n PHE 30 N -3.32 1.22 -3.84 2.06 3.72 -1.26 -4.14 117.46 111.89 2kr1 n PHE 30 Ca -0.01 -0.85 -0.12 0.00 -0.05 0.00 0.00 57.45 56.41 2kr1 n PHE 30 Cb 0.24 -0.47 -0.13 0.00 -0.94 0.00 0.00 39.48 38.17 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 0.06 2.61 -0.11 0.00 0.00 0.04 -3.32 121.76 121.04 2kr1 s ALA 32 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2kr1 s ALA 32 Cb -0.01 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2kr1 s ALA 32 CO -0.00 -1.29 0.00 0.45 0.00 0.00 0.00 175.76 174.92 2kr1 n SER 33 N -3.09 -4.30 -4.79 0.00 2.88 -1.26 -4.19 113.62 98.87 2kr1 n SER 33 Ca 0.08 0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.28 2kr1 n SER 33 Cb 0.53 -1.89 -0.07 0.00 -0.75 0.00 0.00 64.21 62.03 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kr1 h PRO 35 N 5.45 0.00 0.00 0.00 0.13 -1.91 -2.77 132.00 132.90 2kr1 h PRO 35 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kr1 h PRO 35 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kr1 h PRO 35 CO 0.61 0.32 -0.26 0.25 -0.23 0.00 0.00 178.00 178.69 2kr1 n THR 36 N -3.67 0.32 -2.42 1.56 -2.24 -1.26 -4.85 114.28 101.73 2kr1 n THR 36 Ca -0.01 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 2kr1 n THR 36 Cb 0.43 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.09 3.48 -0.24 4.78 5.36 -1.05 -4.97 117.98 122.25 2kr1 s PHE 37 Ca 0.10 1.51 -0.10 0.00 -0.96 0.00 0.00 56.93 57.48 2kr1 s PHE 37 Cb 0.15 -3.38 -0.05 0.00 -0.34 0.00 0.00 43.02 39.40 2kr1 s PHE 37 CO 0.63 -0.97 0.15 -0.51 -1.46 0.00 0.00 175.22 173.06 2kr1 s LEU 38 N -0.51 4.00 -0.89 6.12 1.43 -1.26 -4.97 118.68 122.60 2kr1 s LEU 38 Ca 0.50 0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.41 2kr1 s LEU 38 Cb -0.32 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2kr1 s LEU 38 CO 0.37 0.05 1.92 -0.13 0.23 0.00 0.00 176.35 178.79 2kr1 s ARG 39 N 1.17 2.60 0.61 1.70 1.81 -1.26 -4.97 118.95 120.61 2kr1 s ARG 39 Ca 0.07 -0.28 -0.12 0.00 -1.72 0.00 0.00 55.73 53.68 2kr1 s ARG 39 Cb -0.14 -5.04 -0.04 0.00 -0.45 0.00 0.00 34.95 29.28 2kr1 s ARG 39 CO 0.05 -3.30 1.03 0.00 -0.68 0.00 0.00 175.30 172.40 2kr1 s MET 40 N 6.93 3.53 0.90 3.54 0.23 -1.26 -5.10 119.30 128.08 2kr1 s MET 40 Ca 0.69 0.85 -0.13 0.00 -1.03 0.00 0.00 55.69 56.07 2kr1 s MET 40 Cb -0.07 -2.07 0.14 0.00 -1.53 0.00 0.00 34.83 31.30 2kr1 s MET 40 CO -0.00 -0.62 1.17 0.16 -2.03 0.00 0.00 175.02 173.70 2kr1 s ASP 41 N -3.84 3.59 0.35 -1.18 -4.77 -1.26 -4.83 116.67 104.74 2kr1 s ASP 41 Ca 0.57 0.82 0.03 0.00 -3.30 0.00 0.00 52.55 50.67 2kr1 s ASP 41 Cb -0.12 -1.30 0.64 0.00 -1.09 0.00 0.00 42.92 41.05 2kr1 s ASP 41 CO 0.49 -2.48 1.96 -0.55 0.70 0.00 0.00 175.17 175.29 2kr1 h ASN 42 N -1.45 0.62 -0.02 2.11 7.08 -1.98 -0.30 115.58 121.63 2kr1 h ASN 42 Ca -0.48 -0.06 -0.21 0.00 -3.08 0.00 0.00 56.30 52.47 2kr1 h ASN 42 Cb 1.32 -0.16 0.01 0.00 -2.08 0.00 0.00 38.32 37.41 2kr1 h ASN 42 CO 0.59 0.53 -0.78 0.78 -2.08 0.00 0.00 177.43 176.47 2kr1 h ASN 43 N 0.69 0.81 0.20 6.14 4.21 -1.99 -0.48 115.58 125.16 2kr1 h ASN 43 Ca 0.17 -0.53 -0.12 0.00 1.21 0.00 0.00 56.30 57.03 2kr1 h ASN 43 Cb 0.08 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.03 2kr1 h ASN 43 CO -0.02 1.32 -0.44 0.00 -1.29 0.00 0.00 177.43 176.99 2kr1 h ALA 44 N 0.66 1.02 0.00 -0.83 0.00 -1.86 -2.32 119.26 115.92 2kr1 h ALA 44 Ca -0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2kr1 h ALA 44 Cb 1.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2kr1 h ALA 44 CO 0.15 0.62 -0.43 0.00 0.00 0.00 0.00 179.25 179.60 2kr1 h ALA 45 N 1.29 0.92 -0.12 0.00 0.00 -0.89 -0.87 119.26 119.59 2kr1 h ALA 45 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2kr1 h ALA 45 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kr1 h ALA 45 CO 0.07 0.53 -0.26 0.00 0.00 0.00 0.00 179.25 179.59 2kr1 h ALA 46 N 1.57 0.19 -0.47 0.00 0.00 -0.84 -0.07 119.26 119.65 2kr1 h ALA 46 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2kr1 h ALA 46 Cb 1.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kr1 h ALA 46 CO 0.06 0.18 0.23 0.82 0.00 0.00 0.00 179.25 180.54 2kr1 h ILE 47 N -0.04 1.18 0.00 0.00 1.08 -1.37 -2.66 117.51 115.71 2kr1 h ILE 47 Ca 0.00 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.90 2kr1 h ILE 47 Cb 0.86 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2kr1 h ILE 47 CO 0.06 0.20 -0.26 0.50 -0.69 0.00 0.00 178.15 177.96 2kr1 h LYS 48 N 0.62 0.00 -0.63 2.37 1.63 -1.20 -2.10 116.57 117.26 2kr1 h LYS 48 Ca 0.16 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2kr1 h LYS 48 Cb 0.11 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2kr1 h LYS 48 CO -0.02 0.26 0.08 0.00 -3.45 0.00 0.00 179.45 176.31 2kr1 h ALA 49 N 1.74 0.95 -0.53 5.00 0.00 -0.70 0.24 119.26 125.96 2kr1 h ALA 49 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2kr1 h ALA 49 Cb 0.87 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2kr1 h ALA 49 CO 0.03 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.72 2kr1 h LEU 50 N 0.97 1.04 -0.27 0.00 -0.00 -1.15 -1.61 115.31 114.30 2kr1 h LEU 50 Ca 0.19 -0.36 -0.03 0.00 -0.00 0.00 0.00 57.88 57.68 2kr1 h LEU 50 Cb 0.46 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 2kr1 h LEU 50 CO 0.02 1.17 0.06 -0.33 -0.00 0.00 0.00 178.44 179.35 2kr1 h GLU 51 N 0.90 0.44 -0.03 1.13 4.39 -1.14 -1.79 114.58 118.49 2kr1 h GLU 51 Ca 0.13 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2kr1 h GLU 51 Cb 0.72 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2kr1 h GLU 51 CO 0.06 0.53 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.96 2kr1 h LEU 52 N 0.27 0.06 0.31 1.33 3.38 -0.99 -2.67 115.31 117.00 2kr1 h LEU 52 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kr1 h LEU 52 Cb 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kr1 h LEU 52 CO 0.00 0.47 -0.15 0.22 0.09 0.00 0.00 178.44 179.07 2kr1 h TYR 53 N 0.05 -0.39 0.00 1.13 3.20 -1.12 -0.83 116.97 119.02 2kr1 h TYR 53 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2kr1 h TYR 53 Cb 0.75 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2kr1 h TYR 53 CO 0.00 -0.12 -0.40 1.57 -1.64 0.00 0.00 178.16 177.58 2kr1 h LYS 54 N -0.62 0.00 -0.00 1.82 2.10 -1.22 -2.21 116.57 116.43 2kr1 h LYS 54 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2kr1 h LYS 54 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2kr1 h LYS 54 CO 0.07 0.40 -0.24 0.44 -2.00 0.00 0.00 179.45 178.12 2kr1 n ILE 55 N -3.97 0.00 -3.43 0.07 -5.35 -1.02 -4.97 119.36 100.69 2kr1 n ILE 55 Ca -0.02 -0.07 -0.21 0.00 -0.27 0.00 0.00 62.75 62.18 2kr1 n ILE 55 Cb 0.44 0.13 0.06 0.00 -1.74 0.00 0.00 39.64 38.53 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 -1.00 -6.14 -4.76 7.28 3.02 -0.83 -4.99 115.26 107.84 2kr1 n ASN 56 Ca 0.11 -0.82 -0.30 0.00 -0.03 0.00 0.00 54.58 53.54 2kr1 n ASN 56 Cb 0.32 -4.42 0.12 0.00 -0.61 0.00 0.00 39.78 35.19 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kr1 s ALA 57 N -3.40 1.85 -0.19 5.41 0.00 -0.34 -4.96 121.76 120.13 2kr1 s ALA 57 Ca 0.45 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 2kr1 s ALA 57 Cb -0.10 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2kr1 s ALA 57 CO 0.79 -2.09 2.02 -1.59 0.00 0.00 0.00 175.76 174.89 2kr1 s LYS 58 N -5.05 3.44 0.37 0.00 -2.85 -1.26 -5.00 119.74 109.39 2kr1 s LYS 58 Ca 0.62 1.98 -0.16 0.00 -1.00 0.00 0.00 55.97 57.42 2kr1 s LYS 58 Cb -0.16 -4.26 -0.09 0.00 -2.06 0.00 0.00 37.83 31.26 2kr1 s LYS 58 CO 0.56 -1.75 0.81 -0.51 0.10 0.00 0.00 175.35 174.56 2kr1 s LEU 59 N 6.95 3.97 -0.34 2.77 1.43 -1.26 -4.96 118.68 127.24 2kr1 s LEU 59 Ca 0.91 1.38 0.08 0.00 -1.03 0.00 0.00 54.13 55.46 2kr1 s LEU 59 Cb -0.32 -4.21 0.60 0.00 0.03 0.00 0.00 46.19 42.30 2kr1 s LEU 59 CO 0.35 -0.29 1.68 0.00 0.23 0.00 0.00 176.35 178.31 2kr1 s ASP 61 N -1.83 -0.49 0.41 0.00 -4.77 -1.26 -5.00 116.67 103.72 2kr1 s ASP 61 Ca 0.50 0.39 -0.27 0.00 -3.30 0.00 0.00 52.55 49.88 2kr1 s ASP 61 Cb 0.43 0.43 -0.09 0.00 -1.09 0.00 0.00 42.92 42.60 2kr1 s ASP 61 CO 0.06 -0.56 1.41 -2.84 0.70 0.00 0.00 175.17 173.94 2kr1 s PRO 62 N -1.82 3.94 0.36 2.11 0.02 -1.26 -5.01 135.00 133.35 2kr1 s PRO 62 Ca -0.03 2.39 -0.27 0.00 0.02 0.00 0.00 61.00 63.11 2kr1 s PRO 62 Cb -0.00 -2.81 -0.09 0.00 0.02 0.00 0.00 34.50 31.61 2kr1 s PRO 62 CO 0.01 -0.60 1.27 -1.01 -0.33 0.00 0.00 177.00 176.33 2kr1 s HIS 63 N -1.18 3.01 -2.00 6.54 3.76 -1.26 -5.14 115.29 119.02 2kr1 s HIS 63 Ca 0.56 1.46 0.19 0.00 -0.15 0.00 0.00 55.06 57.12 2kr1 s HIS 63 Cb -0.43 -3.60 1.14 0.00 1.11 0.00 0.00 32.58 30.80 2kr1 s HIS 63 CO 0.57 -1.75 1.53 -0.35 -0.85 0.00 0.00 174.74 173.89