#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 4.20 0.40 0.03 -0.14 -1.26 -4.91 119.74 118.05 2kr1 s LYS 2 Ca 0.00 2.37 0.22 0.00 -1.36 0.00 0.00 55.97 57.19 2kr1 s LYS 2 Cb 0.00 -3.48 0.63 0.00 -1.68 0.00 0.00 37.83 33.30 2kr1 s LYS 2 CO 0.00 -0.71 1.70 0.00 -0.76 0.00 0.00 175.35 175.58 2kr1 h ARG 3 N 7.94 0.00 -0.16 1.68 2.47 -2.04 -0.29 114.38 123.97 2kr1 h ARG 3 Ca -0.43 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.24 2kr1 h ARG 3 Cb 1.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2kr1 h ARG 3 CO 0.93 0.27 -0.09 0.00 0.56 0.00 0.00 179.97 181.64 2kr1 h ALA 4 N 1.73 0.22 -0.51 0.04 0.00 -1.99 -1.38 119.26 117.37 2kr1 h ALA 4 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2kr1 h ALA 4 Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2kr1 h ALA 4 CO 0.04 0.04 0.23 0.00 0.00 0.00 0.00 179.25 179.56 2kr1 h ALA 5 N 0.66 0.67 0.22 0.00 0.00 -1.89 -1.71 119.26 117.20 2kr1 h ALA 5 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2kr1 h ALA 5 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kr1 h ALA 5 CO 0.03 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.42 2kr1 h ALA 6 N 1.07 -0.29 -0.00 0.00 0.00 -1.10 -0.74 119.26 118.20 2kr1 h ALA 6 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kr1 h ALA 6 Cb 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kr1 h ALA 6 CO -0.02 -0.54 -0.07 -0.22 0.00 0.00 0.00 179.25 178.40 2kr1 h LYS 7 N -0.55 -0.12 0.00 0.00 1.63 -1.26 -2.29 116.57 113.97 2kr1 h LYS 7 Ca -0.03 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 2kr1 h LYS 7 Cb 0.41 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2kr1 h LYS 7 CO 0.05 -0.08 -0.41 0.45 -3.45 0.00 0.00 179.45 176.01 2kr1 h HIS 8 N -0.13 0.00 0.03 1.91 3.86 -1.35 -0.86 115.15 118.61 2kr1 h HIS 8 Ca 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2kr1 h HIS 8 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2kr1 h HIS 8 CO -0.14 0.41 -0.02 -0.07 0.86 0.00 0.00 177.93 178.98 2kr1 h LEU 9 N 0.00 -0.04 -0.87 2.43 -0.00 -0.86 0.46 115.31 116.44 2kr1 h LEU 9 Ca -0.00 -0.15 0.04 0.00 -0.00 0.00 0.00 57.88 57.76 2kr1 h LEU 9 Cb 0.83 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.45 2kr1 h LEU 9 CO 0.05 0.13 0.56 0.40 -0.00 0.00 0.00 178.44 179.58 2kr1 h ILE 10 N -0.20 1.13 -0.49 1.22 2.04 -1.26 -1.90 117.51 118.05 2kr1 h ILE 10 Ca -0.00 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 2kr1 h ILE 10 Cb 0.19 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2kr1 h ILE 10 CO 0.01 0.20 0.09 -0.08 0.00 0.00 0.00 178.15 178.36 2kr1 h GLU 11 N 1.08 0.76 -0.12 2.37 4.81 -0.89 -0.03 114.58 122.56 2kr1 h GLU 11 Ca 0.35 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.24 2kr1 h GLU 11 Cb 0.02 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2kr1 h GLU 11 CO -0.12 0.71 -0.68 0.00 -0.73 0.00 0.00 179.01 178.19 2kr1 h ARG 12 N 0.73 0.49 -0.37 1.92 3.08 -0.43 -0.14 114.38 119.66 2kr1 h ARG 12 Ca 0.16 -0.37 -0.16 0.00 0.07 0.00 0.00 59.98 59.68 2kr1 h ARG 12 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2kr1 h ARG 12 CO 0.00 0.99 -0.39 1.88 -1.07 0.00 0.00 179.97 181.39 2kr1 h TYR 13 N 0.35 1.07 -0.30 3.04 0.05 -1.11 -0.89 116.97 119.17 2kr1 h TYR 13 Ca -0.02 -0.32 -0.06 0.00 0.05 0.00 0.00 58.73 58.38 2kr1 h TYR 13 Cb 1.25 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 2kr1 h TYR 13 CO 0.05 1.13 -0.04 -0.92 -1.05 0.00 0.00 178.16 177.33 2kr1 h TYR 14 N 0.73 0.62 -0.30 4.88 3.20 -0.94 -1.43 116.97 123.73 2kr1 h TYR 14 Ca 0.06 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 2kr1 h TYR 14 Cb 0.97 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 2kr1 h TYR 14 CO 0.06 0.73 -0.08 1.25 -1.64 0.00 0.00 178.16 178.48 2kr1 h HIS 15 N 0.34 0.52 -0.20 -3.82 2.76 -1.05 -0.65 115.15 113.05 2kr1 h HIS 15 Ca 0.08 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 2kr1 h HIS 15 Cb 0.51 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2kr1 h HIS 15 CO 0.04 0.57 -0.25 0.37 -1.30 0.00 0.00 177.93 177.36 2kr1 h GLN 16 N 0.46 0.38 0.13 5.26 4.15 -0.91 0.82 115.11 125.40 2kr1 h GLN 16 Ca 0.09 -0.14 -0.30 0.00 0.77 0.00 0.00 58.65 59.08 2kr1 h GLN 16 Cb 0.43 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2kr1 h GLN 16 CO 0.02 0.61 -1.42 -0.07 -1.93 0.00 0.00 178.83 176.04 2kr1 h LEU 17 N 0.34 0.44 0.00 -2.39 3.38 -0.74 -0.77 115.31 115.57 2kr1 h LEU 17 Ca 0.05 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kr1 h LEU 17 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kr1 h LEU 17 CO 0.04 1.44 -0.26 0.71 0.09 0.00 0.00 178.44 180.47 2kr1 h THR 18 N 0.08 0.00 0.05 0.22 1.35 -1.12 -3.34 112.91 110.14 2kr1 h THR 18 Ca -0.21 -0.91 -0.34 0.00 -0.55 0.00 0.00 66.41 64.40 2kr1 h THR 18 Cb 2.01 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2kr1 h THR 18 CO 0.19 0.00 -1.99 -0.62 -0.25 0.00 0.00 175.52 172.85 2kr1 n GLU 19 N -4.46 0.70 0.00 4.72 -0.58 -0.49 -4.79 120.64 115.73 2kr1 n GLU 19 Ca -0.04 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2kr1 n GLU 19 Cb 0.13 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 1.84 1.23 0.11 0.62 0.00 0.16 -3.87 105.19 105.28 2kr1 n GLY 20 Ca -0.28 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.40 3.74 0.00 0.00 -1.25 -4.98 105.19 104.10 2kr1 n GLY 22 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 6.90 0.11 1.61 2.47 -1.26 -4.95 114.94 119.83 2kr1 s ASN 23 Ca 0.00 2.40 -0.03 0.00 0.42 0.00 0.00 52.86 55.65 2kr1 s ASN 23 Cb 0.00 -2.61 -0.17 0.00 -1.45 0.00 0.00 41.25 37.02 2kr1 s ASN 23 CO 0.00 -0.52 1.24 1.05 -3.72 0.00 0.00 177.10 175.16 2kr1 h GLU 24 N 5.28 0.30 -3.09 0.43 4.11 -1.94 -3.38 114.58 116.29 2kr1 h GLU 24 Ca -0.45 -0.40 -0.69 0.00 0.07 0.00 0.00 59.36 57.89 2kr1 h GLU 24 Cb 1.21 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2kr1 h GLU 24 CO 0.77 1.13 3.56 0.00 0.07 0.00 0.00 179.01 184.54 2kr1 n ALA 25 N -2.52 7.19 -3.58 1.06 0.00 -1.26 -4.63 120.51 116.77 2kr1 n ALA 25 Ca -0.07 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.39 2kr1 n ALA 25 Cb 0.92 -3.32 -0.17 0.00 0.00 0.00 0.00 19.45 16.88 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 3.97 2.78 -3.92 0.00 5.66 -1.26 -4.82 114.28 116.69 2kr1 n THR 27 Ca -0.20 -1.70 -0.29 0.00 -3.05 0.00 0.00 64.05 58.81 2kr1 n THR 27 Cb 0.52 -1.15 -0.16 0.00 -1.55 0.00 0.00 70.33 67.99 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 -0.24 3.26 0.44 1.09 3.84 -1.26 -5.01 114.94 117.06 2kr1 s ASN 28 Ca 0.36 -0.87 0.25 0.00 0.21 0.00 0.00 52.86 52.81 2kr1 s ASN 28 Cb 0.29 -1.04 0.56 0.00 -0.55 0.00 0.00 41.25 40.51 2kr1 s ASN 28 CO 0.01 -0.20 1.69 1.05 -2.79 0.00 0.00 177.10 176.86 2kr1 h GLU 29 N 8.05 0.00 -1.28 0.43 4.11 -1.88 -3.24 114.58 120.78 2kr1 h GLU 29 Ca -0.23 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 58.78 2kr1 h GLU 29 Cb 1.10 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.16 2kr1 h GLU 29 CO 0.42 0.00 0.54 1.19 0.07 0.00 0.00 179.01 181.23 2kr1 n PHE 30 N -3.02 2.08 -3.69 2.06 3.72 -1.26 -3.92 117.46 113.42 2kr1 n PHE 30 Ca 0.03 -2.13 -0.16 0.00 -0.05 0.00 0.00 57.45 55.15 2kr1 n PHE 30 Cb 0.48 -1.04 -0.15 0.00 -0.94 0.00 0.00 39.48 37.83 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 2.01 1.38 0.00 0.00 0.00 -0.30 -3.16 121.76 121.69 2kr1 s ALA 32 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2kr1 s ALA 32 Cb -0.12 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2kr1 s ALA 32 CO -0.06 -2.62 0.00 0.43 0.00 0.00 0.00 175.76 173.51 2kr1 n SER 33 N -4.11 -4.32 -4.58 0.00 7.64 -1.26 -3.85 113.62 103.15 2kr1 n SER 33 Ca 0.09 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.64 2kr1 n SER 33 Cb 0.53 -2.52 -0.11 0.00 -1.01 0.00 0.00 64.21 61.10 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 2.08 0.17 -0.19 0.00 -0.04 -1.26 -2.41 135.00 133.36 2kr1 n PRO 35 Ca -0.17 0.42 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2kr1 n PRO 35 Cb 0.53 -1.84 0.15 0.00 -0.04 0.00 0.00 33.50 32.30 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 -2.17 0.50 -4.66 0.52 -2.24 -1.26 -4.86 114.28 100.11 2kr1 n THR 36 Ca 0.02 -0.46 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 2kr1 n THR 36 Cb 0.21 0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.57 2.88 -0.16 4.78 5.36 -1.01 -4.58 117.98 123.67 2kr1 s PHE 37 Ca 0.22 -0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 55.58 2kr1 s PHE 37 Cb 0.12 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.93 2kr1 s PHE 37 CO 0.14 -0.06 0.54 -1.17 -1.46 0.00 0.00 175.22 173.22 2kr1 s LEU 38 N 0.11 4.20 0.63 6.12 0.20 -1.26 -4.97 118.68 123.71 2kr1 s LEU 38 Ca -0.04 0.79 -0.17 0.00 0.69 0.00 0.00 54.13 55.40 2kr1 s LEU 38 Cb -0.14 -2.77 -0.01 0.00 -0.43 0.00 0.00 46.19 42.83 2kr1 s LEU 38 CO 0.04 -0.14 1.16 -0.13 -0.29 0.00 0.00 176.35 176.99 2kr1 s ARG 39 N 1.31 2.82 0.29 1.98 3.00 -1.26 -5.05 118.95 122.04 2kr1 s ARG 39 Ca 0.27 1.62 0.04 0.00 0.00 0.00 0.00 55.73 57.66 2kr1 s ARG 39 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 34.95 32.83 2kr1 s ARG 39 CO 0.11 -1.28 0.22 0.00 0.00 0.00 0.00 175.30 174.35 2kr1 s MET 40 N -3.70 1.58 0.39 3.54 0.23 -1.26 -5.17 119.30 114.92 2kr1 s MET 40 Ca 0.72 -1.90 -0.02 0.00 -1.03 0.00 0.00 55.69 53.46 2kr1 s MET 40 Cb -0.25 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.26 2kr1 s MET 40 CO 0.37 -0.55 0.63 0.34 -2.03 0.00 0.00 175.02 173.78 2kr1 s ASP 41 N -3.32 6.30 0.33 -1.18 2.15 -1.26 -4.96 116.67 114.73 2kr1 s ASP 41 Ca 0.39 0.64 0.01 0.00 0.43 0.00 0.00 52.55 54.02 2kr1 s ASP 41 Cb 0.04 -2.12 0.56 0.00 -0.30 0.00 0.00 42.92 41.10 2kr1 s ASP 41 CO 0.22 -0.38 1.96 0.78 -0.17 0.00 0.00 175.17 177.57 2kr1 h ASN 42 N 0.65 0.75 -0.63 -0.34 -0.26 -2.02 0.34 115.58 114.08 2kr1 h ASN 42 Ca -0.49 -0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.12 2kr1 h ASN 42 Cb 1.21 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.26 2kr1 h ASN 42 CO 0.62 0.60 0.08 0.78 -1.06 0.00 0.00 177.43 178.45 2kr1 h ASN 43 N 0.86 1.01 -0.24 5.81 4.21 -1.99 -0.73 115.58 124.52 2kr1 h ASN 43 Ca 0.22 -0.27 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 2kr1 h ASN 43 Cb 0.01 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.92 2kr1 h ASN 43 CO -0.04 1.03 -0.09 0.00 -1.29 0.00 0.00 177.43 177.04 2kr1 h ALA 44 N 1.02 1.16 -0.14 -0.83 0.00 -1.73 -1.57 119.26 117.17 2kr1 h ALA 44 Ca 0.19 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2kr1 h ALA 44 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kr1 h ALA 44 CO 0.02 0.53 -0.50 0.00 0.00 0.00 0.00 179.25 179.30 2kr1 h ALA 45 N 1.33 0.87 -0.07 0.00 0.00 -0.74 -1.31 119.26 119.34 2kr1 h ALA 45 Ca 0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2kr1 h ALA 45 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kr1 h ALA 45 CO 0.03 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 2kr1 h ALA 46 N 1.16 0.09 0.03 0.00 0.00 -0.81 -0.96 119.26 118.78 2kr1 h ALA 46 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kr1 h ALA 46 Cb 0.99 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kr1 h ALA 46 CO 0.09 -0.16 -0.03 0.82 0.00 0.00 0.00 179.25 179.96 2kr1 h ILE 47 N -0.24 0.94 0.00 0.00 1.08 -1.29 -2.79 117.51 115.20 2kr1 h ILE 47 Ca 0.02 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.42 2kr1 h ILE 47 Cb 0.46 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2kr1 h ILE 47 CO 0.01 0.00 -0.30 0.50 -0.69 0.00 0.00 178.15 177.67 2kr1 h LYS 48 N -0.06 0.00 -0.54 2.37 1.63 -1.29 -1.77 116.57 116.91 2kr1 h LYS 48 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2kr1 h LYS 48 Cb 0.06 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 2kr1 h LYS 48 CO -0.01 0.30 0.25 0.00 -3.45 0.00 0.00 179.45 176.54 2kr1 h ALA 49 N 1.70 0.69 -0.06 5.00 0.00 -0.92 0.06 119.26 125.74 2kr1 h ALA 49 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2kr1 h ALA 49 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kr1 h ALA 49 CO 0.04 0.27 -0.50 -0.07 0.00 0.00 0.00 179.25 178.98 2kr1 h LEU 50 N 0.72 0.18 -0.28 0.00 -0.00 -1.20 -1.11 115.31 113.63 2kr1 h LEU 50 Ca 0.18 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.88 57.88 2kr1 h LEU 50 Cb 0.13 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2kr1 h LEU 50 CO -0.02 0.66 -0.19 -0.33 -0.00 0.00 0.00 178.44 178.55 2kr1 h GLU 51 N 0.13 0.62 0.00 1.13 4.39 -1.03 -2.04 114.58 117.79 2kr1 h GLU 51 Ca 0.00 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.33 2kr1 h GLU 51 Cb 0.94 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2kr1 h GLU 51 CO 0.07 0.88 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.37 2kr1 h LEU 52 N 0.36 0.00 0.10 1.33 3.38 -0.94 -2.64 115.31 116.90 2kr1 h LEU 52 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kr1 h LEU 52 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kr1 h LEU 52 CO 0.05 0.37 -0.05 0.22 0.09 0.00 0.00 178.44 179.12 2kr1 h TYR 53 N 0.00 -0.13 -0.00 1.13 3.20 -1.11 -0.73 116.97 119.32 2kr1 h TYR 53 Ca -0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2kr1 h TYR 53 Cb 0.78 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2kr1 h TYR 53 CO 0.00 0.25 -0.52 1.57 -1.64 0.00 0.00 178.16 177.82 2kr1 h LYS 54 N -0.54 0.01 0.00 1.82 2.10 -1.31 -2.53 116.57 116.13 2kr1 h LYS 54 Ca -0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kr1 h LYS 54 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2kr1 h LYS 54 CO 0.02 0.53 -0.70 0.44 -2.00 0.00 0.00 179.45 177.75 2kr1 n ILE 55 N -3.92 0.17 -3.30 0.07 -5.35 -1.00 -5.01 119.36 101.02 2kr1 n ILE 55 Ca -0.01 -0.16 -0.17 0.00 -0.27 0.00 0.00 62.75 62.14 2kr1 n ILE 55 Cb 0.54 0.12 0.06 0.00 -1.74 0.00 0.00 39.64 38.62 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 -1.84 -6.53 -4.41 7.28 3.02 -0.61 -5.01 115.26 107.16 2kr1 n ASN 56 Ca 0.04 -0.72 -0.29 0.00 -0.03 0.00 0.00 54.58 53.58 2kr1 n ASN 56 Cb 0.40 -4.94 0.18 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.37 1.34 0.15 5.41 0.00 -0.38 -4.98 121.76 119.92 2kr1 s ALA 57 Ca 0.43 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 2kr1 s ALA 57 Cb -0.07 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 19.97 2kr1 s ALA 57 CO 0.76 -2.78 1.81 0.36 0.00 0.00 0.00 175.76 175.90 2kr1 n LYS 58 N -4.13 2.78 -5.19 0.00 2.85 -1.26 -5.00 118.16 108.22 2kr1 n LYS 58 Ca 0.09 1.01 -0.31 0.00 -1.05 0.00 0.00 58.31 58.06 2kr1 n LYS 58 Cb 0.59 -2.89 -0.16 0.00 -0.65 0.00 0.00 35.03 31.91 2kr1 n LYS 58 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2kr1 s LEU 59 N 2.31 2.04 -0.97 -5.58 0.20 -1.26 -4.95 118.68 110.48 2kr1 s LEU 59 Ca 0.80 -0.49 -0.17 0.00 0.69 0.00 0.00 54.13 54.96 2kr1 s LEU 59 Cb -0.49 -1.31 0.15 0.00 -0.43 0.00 0.00 46.19 44.11 2kr1 s LEU 59 CO 0.36 0.21 1.13 0.00 -0.29 0.00 0.00 176.35 177.77 2kr1 s ASP 61 N 3.27 5.31 -0.39 0.00 -4.77 -1.26 -4.90 116.67 113.93 2kr1 s ASP 61 Ca 0.32 0.14 -0.28 0.00 -3.30 0.00 0.00 52.55 49.44 2kr1 s ASP 61 Cb -0.05 -1.05 -0.02 0.00 -1.09 0.00 0.00 42.92 40.70 2kr1 s ASP 61 CO -0.08 -1.14 1.85 -2.84 0.70 0.00 0.00 175.17 173.66 2kr1 s PRO 62 N -4.81 3.15 0.18 2.11 0.02 -1.26 -5.00 135.00 129.39 2kr1 s PRO 62 Ca 0.56 1.29 0.07 0.00 0.02 0.00 0.00 61.00 62.94 2kr1 s PRO 62 Cb -0.10 -4.25 -0.04 0.00 0.02 0.00 0.00 34.50 30.12 2kr1 s PRO 62 CO 0.40 -2.08 0.07 -3.38 -0.33 0.00 0.00 177.00 171.67 2kr1 s HIS 63 N 7.56 2.98 -2.00 6.54 -3.43 -1.26 -5.32 115.29 120.35 2kr1 s HIS 63 Ca 0.79 -0.09 0.10 0.00 -0.80 0.00 0.00 55.06 55.05 2kr1 s HIS 63 Cb -0.21 -1.42 0.59 0.00 -1.43 0.00 0.00 32.58 30.11 2kr1 s HIS 63 CO 0.31 0.53 1.03 -0.35 -2.00 0.00 0.00 174.74 174.26