#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 3.20 -1.81 0.03 5.02 -1.26 -4.99 118.16 118.36 2kr1 n LYS 2 Ca 0.00 -3.29 -0.41 0.00 -2.02 0.00 0.00 58.31 52.59 2kr1 n LYS 2 Cb 0.00 -3.32 -0.00 0.00 -0.02 0.00 0.00 35.03 31.68 2kr1 n LYS 2 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kr1 s ARG 3 N 3.20 4.11 0.26 1.97 3.52 -1.26 -4.76 118.95 126.00 2kr1 s ARG 3 Ca 0.49 2.57 -0.02 0.00 -0.13 0.00 0.00 55.73 58.64 2kr1 s ARG 3 Cb 0.05 -2.97 0.43 0.00 -1.56 0.00 0.00 34.95 30.90 2kr1 s ARG 3 CO 0.03 -0.53 1.86 0.00 -0.81 0.00 0.00 175.30 175.84 2kr1 h ALA 4 N 3.02 1.37 -0.28 6.12 0.00 -1.98 0.57 119.26 128.08 2kr1 h ALA 4 Ca -0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2kr1 h ALA 4 Cb 1.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kr1 h ALA 4 CO 0.64 0.34 0.14 0.00 0.00 0.00 0.00 179.25 180.37 2kr1 h ALA 5 N 1.47 0.36 0.00 0.00 0.00 -1.92 -1.71 119.26 117.45 2kr1 h ALA 5 Ca 0.44 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 2kr1 h ALA 5 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kr1 h ALA 5 CO -0.20 -0.08 -0.46 0.00 0.00 0.00 0.00 179.25 178.52 2kr1 h ALA 6 N 0.99 0.85 0.08 0.00 0.00 -1.60 -1.66 119.26 117.92 2kr1 h ALA 6 Ca 0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kr1 h ALA 6 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kr1 h ALA 6 CO -0.01 0.57 -0.04 -0.22 0.00 0.00 0.00 179.25 179.55 2kr1 h LYS 7 N 0.00 -0.10 0.00 0.00 1.63 0.20 -2.80 116.57 115.50 2kr1 h LYS 7 Ca -0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2kr1 h LYS 7 Cb 1.11 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2kr1 h LYS 7 CO 0.06 0.45 -0.14 0.45 -3.45 0.00 0.00 179.45 176.82 2kr1 h HIS 8 N -0.81 0.00 -0.71 1.91 3.86 -1.37 -1.56 115.15 116.46 2kr1 h HIS 8 Ca -0.01 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2kr1 h HIS 8 Cb 0.60 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 2kr1 h HIS 8 CO 0.13 0.14 0.46 1.25 0.86 0.00 0.00 177.93 180.77 2kr1 h LEU 9 N 0.00 0.77 -0.91 2.43 7.12 -1.29 0.11 115.31 123.55 2kr1 h LEU 9 Ca -0.00 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.90 2kr1 h LEU 9 Cb 0.63 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 2kr1 h LEU 9 CO 0.02 0.55 -0.22 0.40 -0.13 0.00 0.00 178.44 179.05 2kr1 h ILE 10 N 0.91 1.26 0.00 4.05 2.04 -1.03 -2.27 117.51 122.48 2kr1 h ILE 10 Ca 0.27 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 2kr1 h ILE 10 Cb -0.05 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2kr1 h ILE 10 CO -0.08 0.40 -0.26 -0.33 0.00 0.00 0.00 178.15 177.88 2kr1 h GLU 11 N 0.49 0.00 -0.21 2.37 3.07 -0.87 0.35 114.58 119.77 2kr1 h GLU 11 Ca 0.07 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 2kr1 h GLU 11 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2kr1 h GLU 11 CO 0.05 0.26 -0.40 0.00 -1.40 0.00 0.00 179.01 177.52 2kr1 h ARG 12 N 0.00 0.64 -0.06 2.33 2.47 -0.27 -0.16 114.38 119.33 2kr1 h ARG 12 Ca -0.00 -0.41 -0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2kr1 h ARG 12 Cb 0.62 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2kr1 h ARG 12 CO 0.03 1.02 0.02 1.88 0.56 0.00 0.00 179.97 183.49 2kr1 h TYR 13 N 0.34 0.10 -0.94 3.04 0.05 -1.33 -0.99 116.97 117.23 2kr1 h TYR 13 Ca 0.01 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.84 2kr1 h TYR 13 Cb 0.99 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.64 2kr1 h TYR 13 CO 0.09 0.26 0.61 -0.92 -1.05 0.00 0.00 178.16 177.15 2kr1 h TYR 14 N -0.09 1.11 -0.55 4.88 3.20 -0.91 0.18 116.97 124.79 2kr1 h TYR 14 Ca 0.02 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2kr1 h TYR 14 Cb 0.21 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 2kr1 h TYR 14 CO -0.01 0.59 0.18 1.25 -1.64 0.00 0.00 178.16 178.54 2kr1 h HIS 15 N 1.10 0.87 0.00 -3.82 2.76 -0.96 -1.25 115.15 113.85 2kr1 h HIS 15 Ca 0.40 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.43 2kr1 h HIS 15 Cb 0.16 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 2kr1 h HIS 15 CO -0.00 0.73 -0.27 0.37 -1.30 0.00 0.00 177.93 177.46 2kr1 h GLN 16 N 0.76 0.00 0.02 5.26 4.15 0.56 0.94 115.11 126.80 2kr1 h GLN 16 Ca 0.18 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.32 2kr1 h GLN 16 Cb 0.26 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2kr1 h GLN 16 CO -0.01 0.27 -1.55 -0.07 -1.93 0.00 0.00 178.83 175.55 2kr1 h LEU 17 N 0.00 0.07 0.00 -2.39 -0.00 -0.60 0.22 115.31 112.60 2kr1 h LEU 17 Ca -0.00 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.88 57.62 2kr1 h LEU 17 Cb 0.68 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.29 2kr1 h LEU 17 CO 0.04 1.10 -0.87 0.71 -0.00 0.00 0.00 178.44 179.42 2kr1 h THR 18 N 0.01 0.82 0.00 0.22 1.35 -1.13 -3.42 112.91 110.77 2kr1 h THR 18 Ca -0.23 -1.92 -0.19 0.00 -0.55 0.00 0.00 66.41 63.52 2kr1 h THR 18 Cb 1.96 1.86 -0.04 0.00 -1.73 0.00 0.00 68.15 70.20 2kr1 h THR 18 CO 0.10 0.28 -1.73 -0.62 -0.25 0.00 0.00 175.52 173.30 2kr1 n GLU 19 N -4.51 1.89 0.00 4.72 1.02 -0.23 -4.83 120.64 118.70 2kr1 n GLU 19 Ca -0.23 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 2kr1 n GLU 19 Cb 0.54 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 2kr1 n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kr1 n GLY 20 N 2.45 1.14 0.01 0.62 0.00 0.16 -3.72 105.19 105.85 2kr1 n GLY 20 Ca -0.19 -0.73 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 2.55 3.64 0.00 0.00 -1.26 -5.01 105.19 105.11 2kr1 n GLY 22 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2kr1 n GLY 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kr1 s ASN 23 N 0.00 6.35 0.21 1.61 3.84 -1.26 -4.90 114.94 120.79 2kr1 s ASN 23 Ca 0.00 1.99 0.02 0.00 0.21 0.00 0.00 52.86 55.08 2kr1 s ASN 23 Cb 0.00 -2.53 0.18 0.00 -0.55 0.00 0.00 41.25 38.35 2kr1 s ASN 23 CO 0.00 -1.23 1.52 1.05 -2.79 0.00 0.00 177.10 175.65 2kr1 h GLU 24 N 10.95 0.34 -1.95 0.43 9.09 -1.93 -3.28 114.58 128.23 2kr1 h GLU 24 Ca -0.39 -0.24 -0.38 0.00 0.05 0.00 0.00 59.36 58.40 2kr1 h GLU 24 Cb 1.18 0.04 -0.14 0.00 -1.65 0.00 0.00 28.75 28.18 2kr1 h GLU 24 CO 0.97 0.85 0.17 0.00 0.05 0.00 0.00 179.01 181.05 2kr1 n ALA 25 N -2.49 6.24 -2.79 1.06 0.00 -1.26 -4.31 120.51 116.95 2kr1 n ALA 25 Ca -0.03 -2.50 -0.36 0.00 0.00 0.00 0.00 53.44 50.55 2kr1 n ALA 25 Cb 0.63 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 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 4.37 1.43 -3.86 0.00 -2.24 -1.26 -4.76 114.28 107.95 2kr1 n THR 27 Ca -0.16 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 60.92 2kr1 n THR 27 Cb 0.52 -0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 67.63 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 0.75 4.81 0.49 3.42 3.84 -1.26 -4.99 114.94 121.98 2kr1 s ASN 28 Ca 0.09 -0.94 0.27 0.00 0.21 0.00 0.00 52.86 52.48 2kr1 s ASN 28 Cb 0.07 -1.76 1.18 0.00 -0.55 0.00 0.00 41.25 40.18 2kr1 s ASN 28 CO 0.01 -0.20 1.93 1.05 -2.79 0.00 0.00 177.10 177.11 2kr1 h GLU 29 N 8.10 0.00 -0.85 0.43 9.09 -1.86 -2.84 114.58 126.65 2kr1 h GLU 29 Ca -0.29 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.05 2kr1 h GLU 29 Cb 1.10 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.15 2kr1 h GLU 29 CO 0.58 0.16 0.10 1.19 0.05 0.00 0.00 179.01 181.09 2kr1 n PHE 30 N -3.41 1.21 -4.43 2.06 3.72 -1.26 -4.12 117.46 111.23 2kr1 n PHE 30 Ca -0.00 -0.61 -0.27 0.00 -0.05 0.00 0.00 57.45 56.51 2kr1 n PHE 30 Cb 0.35 -0.40 -0.17 0.00 -0.94 0.00 0.00 39.48 38.32 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 0.99 2.07 0.00 0.00 0.00 0.06 -3.21 121.76 121.66 2kr1 s ALA 32 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2kr1 s ALA 32 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2kr1 s ALA 32 CO -0.01 -1.90 0.00 0.45 0.00 0.00 0.00 175.76 174.30 2kr1 n SER 33 N -3.59 -0.49 -4.90 0.00 2.88 -1.24 -3.77 113.62 102.51 2kr1 n SER 33 Ca 0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.28 2kr1 n SER 33 Cb 0.54 -1.16 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 2kr1 n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kr1 n PRO 35 N 1.16 0.31 -0.49 0.00 -0.04 -1.26 -2.43 135.00 132.25 2kr1 n PRO 35 Ca -0.13 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2kr1 n PRO 35 Cb 0.53 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.28 1.46 -4.43 0.52 -2.24 -1.26 -4.96 114.28 102.09 2kr1 n THR 36 Ca 0.10 -1.12 -0.25 0.00 -2.27 0.00 0.00 64.05 60.51 2kr1 n THR 36 Cb 0.17 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.47 2.24 -0.28 4.78 5.36 -1.02 -4.59 117.98 123.00 2kr1 s PHE 37 Ca 0.49 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.08 2kr1 s PHE 37 Cb 0.29 -1.07 0.04 0.00 -0.34 0.00 0.00 43.02 41.94 2kr1 s PHE 37 CO 0.28 0.54 -0.03 -1.17 -1.46 0.00 0.00 175.22 173.38 2kr1 s LEU 38 N -2.93 3.60 0.33 6.12 2.96 -1.26 -4.93 118.68 122.57 2kr1 s LEU 38 Ca 0.23 -1.13 -0.28 0.00 -0.22 0.00 0.00 54.13 52.73 2kr1 s LEU 38 Cb -0.07 -1.68 -0.12 0.00 0.50 0.00 0.00 46.19 44.82 2kr1 s LEU 38 CO 0.11 -0.21 1.32 0.54 -1.32 0.00 0.00 176.35 176.80 2kr1 n ARG 39 N 4.63 2.18 -4.34 1.98 5.12 -1.26 -5.03 116.66 119.94 2kr1 n ARG 39 Ca -0.14 0.76 -0.17 0.00 -1.93 0.00 0.00 57.85 56.37 2kr1 n ARG 39 Cb 0.45 -2.37 -0.10 0.00 -1.16 0.00 0.00 32.46 29.27 2kr1 n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kr1 s MET 40 N -1.71 1.35 0.85 5.56 0.23 -1.26 -5.16 119.30 119.15 2kr1 s MET 40 Ca 0.57 -1.68 -0.11 0.00 -1.03 0.00 0.00 55.69 53.43 2kr1 s MET 40 Cb -0.57 -0.64 0.10 0.00 -1.53 0.00 0.00 34.83 32.19 2kr1 s MET 40 CO 0.61 -0.09 1.09 0.34 -2.03 0.00 0.00 175.02 174.94 2kr1 s ASP 41 N -3.31 3.81 0.23 -1.18 2.15 -1.26 -4.79 116.67 112.31 2kr1 s ASP 41 Ca 0.29 1.71 -0.08 0.00 0.43 0.00 0.00 52.55 54.90 2kr1 s ASP 41 Cb 0.06 -2.37 0.20 0.00 -0.30 0.00 0.00 42.92 40.51 2kr1 s ASP 41 CO 0.09 -2.46 1.88 -0.55 -0.17 0.00 0.00 175.17 173.96 2kr1 h ASN 42 N -1.42 1.06 -0.27 -0.34 7.08 -1.98 0.23 115.58 119.92 2kr1 h ASN 42 Ca -0.47 -0.06 -0.17 0.00 -3.08 0.00 0.00 56.30 52.52 2kr1 h ASN 42 Cb 1.26 -0.27 -0.00 0.00 -2.08 0.00 0.00 38.32 37.23 2kr1 h ASN 42 CO 0.52 0.81 -0.48 0.78 -2.08 0.00 0.00 177.43 176.98 2kr1 h ASN 43 N 1.21 0.92 0.21 6.14 2.35 -1.99 -1.53 115.58 122.89 2kr1 h ASN 43 Ca 0.32 -0.46 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 2kr1 h ASN 43 Cb -0.06 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2kr1 h ASN 43 CO -0.06 1.25 -0.29 0.00 -1.65 0.00 0.00 177.43 176.68 2kr1 h ALA 44 N 0.78 1.38 0.00 -0.83 0.00 -1.85 -1.74 119.26 117.00 2kr1 h ALA 44 Ca 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 2kr1 h ALA 44 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kr1 h ALA 44 CO 0.11 0.44 -0.67 0.00 0.00 0.00 0.00 179.25 179.14 2kr1 h ALA 45 N 1.58 0.78 -0.06 0.00 0.00 -0.35 -1.35 119.26 119.87 2kr1 h ALA 45 Ca 0.02 -0.61 -0.21 0.00 0.00 0.00 0.00 54.91 54.11 2kr1 h ALA 45 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kr1 h ALA 45 CO 0.04 0.83 -0.84 0.00 0.00 0.00 0.00 179.25 179.29 2kr1 h ALA 46 N 1.33 0.41 -0.05 0.00 0.00 -0.88 -0.34 119.26 119.72 2kr1 h ALA 46 Ca -0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2kr1 h ALA 46 Cb 1.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kr1 h ALA 46 CO 0.09 0.75 0.01 0.82 0.00 0.00 0.00 179.25 180.91 2kr1 h ILE 47 N 0.34 1.22 -0.23 0.00 1.08 -1.25 -2.39 117.51 116.28 2kr1 h ILE 47 Ca -0.06 -0.68 -0.10 0.00 -0.39 0.00 0.00 64.86 63.63 2kr1 h ILE 47 Cb 1.45 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 2kr1 h ILE 47 CO 0.15 0.19 -0.28 0.50 -0.69 0.00 0.00 178.15 178.02 2kr1 h LYS 48 N -0.17 0.45 -0.86 2.37 1.63 -1.30 -1.34 116.57 117.35 2kr1 h LYS 48 Ca 0.02 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2kr1 h LYS 48 Cb 0.29 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 2kr1 h LYS 48 CO 0.00 0.70 0.55 0.00 -3.45 0.00 0.00 179.45 177.25 2kr1 h ALA 49 N 1.30 1.09 -0.12 5.00 0.00 -1.04 -1.08 119.26 124.41 2kr1 h ALA 49 Ca 0.05 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2kr1 h ALA 49 Cb 0.70 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kr1 h ALA 49 CO 0.05 0.51 -0.72 1.25 0.00 0.00 0.00 179.25 180.34 2kr1 h LEU 50 N 1.17 0.65 0.54 0.00 7.12 -1.02 -0.46 115.31 123.30 2kr1 h LEU 50 Ca 0.31 -0.41 -0.03 0.00 0.13 0.00 0.00 57.88 57.88 2kr1 h LEU 50 Cb -0.11 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 39.84 2kr1 h LEU 50 CO -0.06 1.17 -0.27 -0.33 -0.13 0.00 0.00 178.44 178.82 2kr1 h GLU 51 N 0.38 -0.70 0.00 1.25 4.39 -1.03 -2.23 114.58 116.64 2kr1 h GLU 51 Ca -0.03 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2kr1 h GLU 51 Cb 1.31 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 2kr1 h GLU 51 CO 0.13 -0.47 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.22 2kr1 h LEU 52 N -0.73 0.00 0.33 1.33 3.38 -1.23 -2.76 115.31 115.64 2kr1 h LEU 52 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2kr1 h LEU 52 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kr1 h LEU 52 CO 0.11 0.23 -0.16 0.22 0.09 0.00 0.00 178.44 178.94 2kr1 h TYR 53 N 0.00 -0.41 0.00 1.13 3.20 -0.94 -0.67 116.97 119.28 2kr1 h TYR 53 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2kr1 h TYR 53 Cb 0.54 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2kr1 h TYR 53 CO 0.00 -0.10 -0.44 1.57 -1.64 0.00 0.00 178.16 177.55 2kr1 h LYS 54 N -0.73 0.00 0.00 1.82 2.10 -1.26 -2.30 116.57 116.20 2kr1 h LYS 54 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2kr1 h LYS 54 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2kr1 h LYS 54 CO 0.07 0.44 -0.68 0.44 -2.00 0.00 0.00 179.45 177.73 2kr1 n ILE 55 N -3.73 0.31 -3.14 0.07 -5.35 -1.05 -5.01 119.36 101.45 2kr1 n ILE 55 Ca -0.01 -0.25 -0.04 0.00 -0.27 0.00 0.00 62.75 62.18 2kr1 n ILE 55 Cb 0.51 -0.06 0.01 0.00 -1.74 0.00 0.00 39.64 38.37 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 -2.05 -7.43 -3.83 7.28 5.03 -0.53 -5.05 115.26 108.68 2kr1 n ASN 56 Ca 0.03 -0.24 -0.30 0.00 0.87 0.00 0.00 54.58 54.95 2kr1 n ASN 56 Cb 0.43 -5.07 0.22 0.00 -1.02 0.00 0.00 39.78 34.34 2kr1 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kr1 n ALA 57 N -2.09 -2.07 -2.19 5.41 0.00 -0.37 -5.00 120.51 114.20 2kr1 n ALA 57 Ca -0.03 -1.73 -0.43 0.00 0.00 0.00 0.00 53.44 51.25 2kr1 n ALA 57 Cb 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 2kr1 n ALA 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kr1 s LYS 58 N -5.84 3.99 -0.00 0.00 -2.85 -1.26 -5.03 119.74 108.75 2kr1 s LYS 58 Ca 0.75 1.74 -0.04 0.00 -1.00 0.00 0.00 55.97 57.42 2kr1 s LYS 58 Cb -0.03 -3.95 -0.04 0.00 -2.06 0.00 0.00 37.83 31.74 2kr1 s LYS 58 CO 0.54 -1.05 0.22 -0.51 0.10 0.00 0.00 175.35 174.65 2kr1 s LEU 59 N 4.49 4.37 0.01 2.77 1.43 -1.26 -4.98 118.68 125.51 2kr1 s LEU 59 Ca 0.67 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 2kr1 s LEU 59 Cb -0.25 -2.65 -0.23 0.00 0.03 0.00 0.00 46.19 43.09 2kr1 s LEU 59 CO 0.26 0.25 0.85 0.00 0.23 0.00 0.00 176.35 177.94 2kr1 s ASP 61 N -6.43 7.29 0.38 0.00 1.11 -1.26 -5.04 116.67 112.72 2kr1 s ASP 61 Ca -0.04 2.08 -0.27 0.00 0.18 0.00 0.00 52.55 54.49 2kr1 s ASP 61 Cb 0.08 -2.61 -0.10 0.00 1.07 0.00 0.00 42.92 41.37 2kr1 s ASP 61 CO 0.82 -0.11 1.38 -2.16 1.18 0.00 0.00 175.17 176.29 2kr1 s PRO 62 N -1.65 4.06 0.02 8.23 0.04 -1.26 -4.98 135.00 139.47 2kr1 s PRO 62 Ca 0.47 2.35 -0.30 0.00 0.04 0.00 0.00 61.00 63.55 2kr1 s PRO 62 Cb -0.27 -2.89 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 2kr1 s PRO 62 CO 0.34 -0.48 1.62 -1.01 0.04 0.00 0.00 177.00 177.51 2kr1 s HIS 63 N -1.18 2.30 -2.00 0.56 3.76 -1.26 -5.06 115.29 112.42 2kr1 s HIS 63 Ca 0.54 0.33 0.12 0.00 -0.15 0.00 0.00 55.06 55.89 2kr1 s HIS 63 Cb -0.42 -3.91 0.69 0.00 1.11 0.00 0.00 32.58 30.05 2kr1 s HIS 63 CO 0.56 -3.70 1.12 -2.30 -0.85 0.00 0.00 174.74 169.57