#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qke s ALA 2 N 0.00 -2.27 -0.73 3.04 0.00 -1.26 -5.12 121.76 115.41 2qke s ALA 2 Ca 0.00 2.24 -0.24 0.00 0.00 0.00 0.00 51.96 53.97 2qke s ALA 2 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.38 2qke s ALA 2 CO 0.00 -0.75 1.12 -1.25 0.00 0.00 0.00 175.76 174.88 2qke s PRO 3 N 2.29 3.21 0.00 0.00 0.04 -1.26 -4.88 135.00 134.40 2qke s PRO 3 Ca -0.06 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.25 2qke s PRO 3 Cb -0.08 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2qke s PRO 3 CO -0.18 -1.96 0.00 -0.11 0.04 0.00 0.00 177.00 174.79 2qke n LEU 4 N 8.27 0.00 -0.45 -3.56 7.94 -1.26 -5.12 117.00 122.82 2qke n LEU 4 Ca 0.03 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.99 2qke n LEU 4 Cb 0.47 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 2qke n LEU 4 CO 0.66 0.00 -0.12 -1.14 -1.11 0.00 0.00 177.39 175.67 2qke n ARG 5 N -0.09 -0.96 0.00 1.96 3.00 -1.26 -4.98 116.66 114.33 2qke n ARG 5 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 2qke n ARG 5 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.31 2qke n ARG 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qke n LYS 6 N -2.74 0.00 -5.01 -0.14 4.01 -1.26 -4.93 118.16 108.09 2qke n LYS 6 Ca -0.01 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.51 2qke n LYS 6 Cb 0.21 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.57 2qke n LYS 6 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2qke s THR 7 N 0.00 1.68 -0.14 -0.18 2.01 -0.31 -4.81 115.64 113.88 2qke s THR 7 Ca 0.00 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 2qke s THR 7 Cb 0.00 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2qke s THR 7 CO 0.00 0.47 0.98 -0.31 -0.69 0.00 0.00 174.62 175.07 2qke s TYR 8 N -0.08 3.47 -0.32 4.92 4.12 0.10 -1.90 117.35 127.66 2qke s TYR 8 Ca -0.03 1.51 -0.09 0.00 0.02 0.00 0.00 57.07 58.49 2qke s TYR 8 Cb -0.12 -3.17 0.01 0.00 -1.52 0.00 0.00 41.96 37.16 2qke s TYR 8 CO 0.02 -0.26 0.13 0.08 0.02 0.00 0.00 175.55 175.54 2qke s VAL 9 N 2.21 4.27 -0.41 0.71 1.01 0.20 -1.02 120.40 127.38 2qke s VAL 9 Ca 0.46 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 2qke s VAL 9 Cb -0.17 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.96 2qke s VAL 9 CO 0.15 -0.02 0.70 -0.22 0.00 0.00 0.00 175.10 175.71 2qke s LEU 10 N 1.54 4.31 -0.38 3.92 2.96 -0.35 -0.88 118.68 129.80 2qke s LEU 10 Ca 0.03 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.78 2qke s LEU 10 Cb -0.18 -2.85 0.03 0.00 0.50 0.00 0.00 46.19 43.69 2qke s LEU 10 CO 0.05 -0.76 0.21 -0.54 -1.32 0.00 0.00 176.35 173.98 2qke s LYS 11 N 2.97 2.82 -0.18 1.98 1.02 -0.87 -2.00 119.74 125.48 2qke s LYS 11 Ca 0.26 -1.08 -0.16 0.00 0.02 0.00 0.00 55.97 55.01 2qke s LYS 11 Cb -0.13 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 2qke s LYS 11 CO 0.19 -0.71 0.41 -0.51 -0.92 0.00 0.00 175.35 173.81 2qke s LEU 12 N 1.56 4.18 -0.45 3.17 1.02 -0.86 -1.91 118.68 125.39 2qke s LEU 12 Ca 0.02 0.57 -0.14 0.00 0.02 0.00 0.00 54.13 54.60 2qke s LEU 12 Cb -0.19 -2.54 0.07 0.00 0.02 0.00 0.00 46.19 43.55 2qke s LEU 12 CO 0.07 -0.05 0.35 -0.31 0.02 0.00 0.00 176.35 176.43 2qke s TYR 13 N 1.14 3.26 0.12 0.29 1.51 -0.66 -0.05 117.35 122.96 2qke s TYR 13 Ca 0.20 -1.04 0.05 0.00 -1.01 0.00 0.00 57.07 55.27 2qke s TYR 13 Cb -0.15 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.61 2qke s TYR 13 CO 0.08 -0.79 0.07 0.14 -1.11 0.00 0.00 175.55 173.94 2qke s VAL 14 N 1.59 4.30 -0.43 0.71 -7.23 0.78 -0.69 120.40 119.43 2qke s VAL 14 Ca 0.04 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 2qke s VAL 14 Cb -0.23 -3.12 0.13 0.00 0.56 0.00 0.00 36.38 33.72 2qke s VAL 14 CO 0.06 0.02 0.22 0.00 -0.31 0.00 0.00 175.10 175.09 2qke s ALA 15 N -1.52 2.24 0.00 1.32 0.00 0.30 -2.08 121.76 122.02 2qke s ALA 15 Ca 0.29 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.67 2qke s ALA 15 Cb -0.11 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2qke s ALA 15 CO 0.21 -2.01 0.00 0.41 0.00 0.00 0.00 175.76 174.37 2qke n GLY 16 N 3.65 2.02 2.62 0.00 0.00 -1.26 -4.42 105.19 107.79 2qke n GLY 16 Ca 0.07 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 2qke n GLY 16 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qke n ASN 17 N 0.00 -2.24 -4.41 1.61 0.23 -1.26 -4.94 115.26 104.24 2qke n ASN 17 Ca 0.00 -3.07 -0.29 0.00 -0.53 0.00 0.00 54.58 50.70 2qke n ASN 17 Cb 0.00 1.19 0.22 0.00 -2.08 0.00 0.00 39.78 39.10 2qke n ASN 17 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2qke s THR 18 N 0.31 1.89 0.19 5.53 -4.23 -1.26 -4.83 115.64 113.24 2qke s THR 18 Ca 0.32 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 2qke s THR 18 Cb 0.17 -2.36 0.10 0.00 1.34 0.00 0.00 72.50 71.75 2qke s THR 18 CO -0.19 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.14 2qke h PRO 19 N -2.32 1.13 -0.03 3.99 0.13 -2.00 -2.77 132.00 130.12 2qke h PRO 19 Ca -0.55 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.27 2qke h PRO 19 Cb 1.33 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qke h PRO 19 CO 0.51 1.02 -0.04 -0.91 -0.23 0.00 0.00 178.00 178.35 2qke h ASN 20 N 1.06 0.09 -0.99 1.44 2.35 -2.00 -2.93 115.58 114.60 2qke h ASN 20 Ca 0.21 -0.50 0.19 0.00 -0.55 0.00 0.00 56.30 55.64 2qke h ASN 20 Cb 0.44 -0.03 -0.18 0.00 0.05 0.00 0.00 38.32 38.60 2qke h ASN 20 CO 0.01 0.58 -0.28 -0.24 -1.65 0.00 0.00 177.43 175.85 2qke n SER 21 N -4.77 -0.43 -0.03 5.81 2.88 -1.17 0.50 113.62 116.40 2qke n SER 21 Ca -0.08 1.72 -0.04 0.00 -1.33 0.00 0.00 58.87 59.13 2qke n SER 21 Cb 0.29 -0.49 0.17 0.00 -0.75 0.00 0.00 64.21 63.43 2qke n SER 21 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2qke h VAL 22 N 0.00 1.26 0.36 2.46 2.07 -1.50 -2.56 116.25 118.35 2qke h VAL 22 Ca 0.44 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2qke h VAL 22 Cb 0.69 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2qke h VAL 22 CO -1.02 0.40 -0.18 -0.09 0.02 0.00 0.00 177.57 176.70 2qke h ARG 23 N 0.55 -0.47 -0.78 1.57 2.43 0.24 -2.67 114.38 115.25 2qke h ARG 23 Ca 0.09 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2qke h ARG 23 Cb 0.62 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 2qke h ARG 23 CO 0.04 -0.31 0.40 0.00 -1.51 0.00 0.00 179.97 178.59 2qke h ALA 24 N 0.15 1.24 0.00 2.80 0.00 -1.11 -1.34 119.26 120.99 2qke h ALA 24 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2qke h ALA 24 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qke h ALA 24 CO 0.08 0.60 -0.13 -0.07 0.00 0.00 0.00 179.25 179.73 2qke h LEU 25 N 1.09 0.00 0.07 0.00 3.38 -1.40 0.63 115.31 119.08 2qke h LEU 25 Ca 0.27 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.97 2qke h LEU 25 Cb 0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.84 2qke h LEU 25 CO -0.04 0.13 -1.09 0.50 0.09 0.00 0.00 178.44 178.02 2qke h LYS 26 N 0.00 0.62 0.63 1.13 3.11 -0.97 -2.75 116.57 118.35 2qke h LYS 26 Ca -0.00 -0.76 -0.03 0.00 -2.81 0.00 0.00 60.65 57.05 2qke h LYS 26 Cb 0.37 0.24 0.01 0.00 -1.00 0.00 0.00 32.23 31.84 2qke h LYS 26 CO 0.02 1.33 -0.30 1.15 -2.81 0.00 0.00 179.45 178.84 2qke h THR 27 N 0.26 0.17 -0.62 1.00 2.02 -0.11 0.10 112.91 115.73 2qke h THR 27 Ca -0.16 -0.34 0.11 0.00 0.77 0.00 0.00 66.41 66.80 2qke h THR 27 Cb 1.77 0.24 -0.12 0.00 -1.74 0.00 0.00 68.15 68.30 2qke h THR 27 CO 0.21 0.02 -0.32 0.25 0.37 0.00 0.00 175.52 176.06 2qke h LEU 28 N -1.13 -1.12 -0.58 2.58 5.85 0.08 0.68 115.31 121.67 2qke h LEU 28 Ca -0.09 0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2qke h LEU 28 Cb 0.69 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 2qke h LEU 28 CO 0.14 -0.30 0.34 -1.13 -0.34 0.00 0.00 178.44 177.15 2qke h ASN 29 N -0.14 0.53 -0.29 1.25 -0.73 -1.46 0.18 115.58 114.92 2qke h ASN 29 Ca 0.25 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.45 2qke h ASN 29 Cb 0.55 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 2qke h ASN 29 CO -0.70 0.37 0.15 -1.13 -0.37 0.00 0.00 177.43 175.75 2qke h ASN 30 N 0.66 0.24 -0.14 1.15 -1.24 0.18 0.07 115.58 116.50 2qke h ASN 30 Ca 0.24 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.30 2qke h ASN 30 Cb 0.07 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 2qke h ASN 30 CO -0.13 0.18 -0.10 0.40 -1.29 0.00 0.00 177.43 176.49 2qke h ILE 31 N 0.32 0.70 -0.47 2.57 2.04 0.15 -1.03 117.51 121.79 2qke h ILE 31 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 2qke h ILE 31 Cb 0.02 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2qke h ILE 31 CO -0.07 0.00 0.21 -0.07 0.00 0.00 0.00 178.15 178.22 2qke h LEU 32 N -0.11 0.59 0.26 1.44 3.38 -0.42 0.91 115.31 121.36 2qke h LEU 32 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qke h LEU 32 Cb 0.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2qke h LEU 32 CO -0.21 0.52 -0.13 -0.33 0.09 0.00 0.00 178.44 178.38 2qke h GLU 33 N 0.66 -0.34 0.00 1.13 4.39 -0.40 -2.01 114.58 118.01 2qke h GLU 33 Ca 0.16 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 2qke h GLU 33 Cb 0.09 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2qke h GLU 33 CO -0.02 0.01 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.42 2qke h LYS 34 N -0.84 0.00 0.00 2.33 3.11 -1.20 -3.32 116.57 116.66 2qke h LYS 34 Ca -0.04 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.57 2qke h LYS 34 Cb 0.51 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.71 2qke h LYS 34 CO 0.06 0.20 -1.82 0.39 -2.81 0.00 0.00 179.45 175.47 2qke n GLU 35 N -3.20 0.33 -2.86 1.90 1.02 0.31 -4.70 120.64 113.45 2qke n GLU 35 Ca 0.02 0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.89 2qke n GLU 35 Cb 0.55 -1.15 -0.00 0.00 -0.02 0.00 0.00 31.44 30.82 2qke n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qke n PHE 36 N -3.33 2.88 -1.47 -0.32 3.01 -0.76 -5.00 117.46 112.48 2qke n PHE 36 Ca -0.27 -2.91 -0.46 0.00 1.01 0.00 0.00 57.45 54.81 2qke n PHE 36 Cb 0.73 -1.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.07 2qke n PHE 36 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2qke n LYS 37 N 0.38 0.69 0.00 -1.08 5.02 -1.22 -3.27 118.16 118.68 2qke n LYS 37 Ca 0.37 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2qke n LYS 37 Cb 0.31 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 2qke n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qke n GLY 38 N 6.50 2.32 0.00 0.72 0.00 -1.26 -4.65 105.19 108.82 2qke n GLY 38 Ca 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2qke n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qke n VAL 39 N 0.00 0.00 -4.26 1.61 0.31 -1.21 -4.04 118.33 110.74 2qke n VAL 39 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2qke n VAL 39 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2qke n VAL 39 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2qke s TYR 40 N -1.94 2.81 0.03 3.52 1.51 -1.20 0.00 117.35 122.08 2qke s TYR 40 Ca 0.00 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2qke s TYR 40 Cb 0.00 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2qke s TYR 40 CO 0.00 0.42 -0.06 0.00 -1.11 0.00 0.00 175.55 174.81 2qke s ALA 41 N -1.19 0.40 0.20 3.71 0.00 -0.19 -4.84 121.76 119.84 2qke s ALA 41 Ca 0.21 -0.72 0.08 0.00 0.00 0.00 0.00 51.96 51.53 2qke s ALA 41 Cb -0.11 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2qke s ALA 41 CO 0.13 -0.09 0.03 -1.17 0.00 0.00 0.00 175.76 174.66 2qke s LEU 42 N -1.59 3.38 -0.29 0.00 2.96 -1.26 -1.21 118.68 120.66 2qke s LEU 42 Ca -0.12 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2qke s LEU 42 Cb -0.09 -1.99 0.20 0.00 0.50 0.00 0.00 46.19 44.80 2qke s LEU 42 CO -0.01 0.06 0.60 -0.75 -1.32 0.00 0.00 176.35 174.93 2qke s LYS 43 N -3.18 0.56 0.07 1.98 2.20 -0.85 -4.91 119.74 115.62 2qke s LYS 43 Ca 0.29 0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 56.42 2qke s LYS 43 Cb -0.09 0.37 -0.07 0.00 -1.51 0.00 0.00 37.83 36.54 2qke s LYS 43 CO 0.20 -0.87 0.61 0.08 -0.36 0.00 0.00 175.35 175.00 2qke s VAL 44 N 2.84 4.72 -0.12 4.02 1.01 -1.26 -2.04 120.40 129.57 2qke s VAL 44 Ca 0.14 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.46 2qke s VAL 44 Cb -0.12 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2qke s VAL 44 CO -0.24 0.52 -0.22 -0.63 0.00 0.00 0.00 175.10 174.53 2qke s ILE 45 N -0.89 2.12 -0.50 2.22 -1.09 0.93 -4.94 121.20 119.04 2qke s ILE 45 Ca 0.31 -0.98 -0.17 0.00 -2.23 0.00 0.00 60.65 57.58 2qke s ILE 45 Cb -0.20 -1.83 0.07 0.00 -1.58 0.00 0.00 42.46 38.92 2qke s ILE 45 CO 0.20 0.55 0.53 -0.62 -1.23 0.00 0.00 174.94 174.37 2qke s ASP 46 N 0.62 6.19 0.26 3.58 3.68 -1.26 -0.16 116.67 129.58 2qke s ASP 46 Ca -0.12 -1.20 0.25 0.00 2.13 0.00 0.00 52.55 53.61 2qke s ASP 46 Cb -0.16 -2.24 0.96 0.00 -1.45 0.00 0.00 42.92 40.02 2qke s ASP 46 CO 0.03 -0.82 1.74 1.33 0.13 0.00 0.00 175.17 177.58 2qke n VAL 47 N 5.42 0.77 -0.02 1.11 0.24 -0.89 -1.89 118.33 123.07 2qke n VAL 47 Ca -0.10 0.11 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 2qke n VAL 47 Cb 0.44 -1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 31.68 2qke n VAL 47 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2qke h LEU 48 N 0.00 -0.06 -0.85 1.34 -0.00 -1.92 -1.19 115.31 112.65 2qke h LEU 48 Ca 0.00 -0.58 0.11 0.00 -0.00 0.00 0.00 57.88 57.41 2qke h LEU 48 Cb 0.46 0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.05 2qke h LEU 48 CO 0.00 0.68 0.47 0.50 -0.00 0.00 0.00 178.44 180.09 2qke h LYS 49 N -0.91 0.73 -1.66 1.13 3.64 -1.93 -3.39 116.57 114.18 2qke h LYS 49 Ca -0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2qke h LYS 49 Cb 0.63 -0.17 -0.25 0.00 -0.41 0.00 0.00 32.23 32.04 2qke h LYS 49 CO 0.01 0.49 -0.34 1.21 -2.27 0.00 0.00 179.45 178.54 2qke s ASN 50 N -5.56 -0.61 -0.08 4.20 3.84 -0.79 -5.07 114.94 110.87 2qke s ASN 50 Ca -0.12 0.75 -0.21 0.00 0.21 0.00 0.00 52.86 53.49 2qke s ASN 50 Cb 0.20 1.69 -0.29 0.00 -0.55 0.00 0.00 41.25 42.30 2qke s ASN 50 CO 0.78 -0.27 0.75 -0.65 -2.79 0.00 0.00 177.10 174.93 2qke h PRO 51 N 8.09 0.24 -6.49 0.43 0.11 -1.43 -3.34 132.00 129.62 2qke h PRO 51 Ca -0.20 -0.41 -0.53 0.00 0.11 0.00 0.00 66.00 64.97 2qke h PRO 51 Cb 1.14 0.15 0.04 0.00 0.11 0.00 0.00 31.00 32.44 2qke h PRO 51 CO 0.22 1.20 1.14 1.04 -0.21 0.00 0.00 178.00 181.39 2qke n GLN 52 N -4.12 2.83 -2.68 1.05 3.00 -1.26 -4.96 117.38 111.24 2qke n GLN 52 Ca -0.18 1.03 -0.37 0.00 -0.01 0.00 0.00 57.00 57.48 2qke n GLN 52 Cb 0.81 -2.94 -0.05 0.00 0.00 0.00 0.00 30.24 28.05 2qke n GLN 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2qke s LEU 53 N 3.04 4.26 1.05 1.08 1.02 -1.26 -5.05 118.68 122.81 2qke s LEU 53 Ca 0.83 1.93 -0.16 0.00 0.02 0.00 0.00 54.13 56.75 2qke s LEU 53 Cb -0.47 -4.08 0.22 0.00 0.02 0.00 0.00 46.19 41.88 2qke s LEU 53 CO 0.38 -0.24 1.17 0.00 0.02 0.00 0.00 176.35 177.68 2qke s ALA 54 N -1.63 1.38 0.30 4.21 0.00 -1.26 -4.91 121.76 119.85 2qke s ALA 54 Ca 0.53 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 2qke s ALA 54 Cb -0.20 -2.91 0.43 0.00 0.00 0.00 0.00 23.12 20.44 2qke s ALA 54 CO 0.26 -2.88 1.95 0.93 0.00 0.00 0.00 175.76 176.02 2qke h GLU 55 N -1.99 1.07 -0.56 0.00 5.08 -2.06 -2.40 114.58 113.71 2qke h GLU 55 Ca -0.47 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2qke h GLU 55 Cb 1.29 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2qke h GLU 55 CO 0.44 0.73 0.00 0.39 -1.00 0.00 0.00 179.01 179.57 2qke n GLU 56 N -4.39 2.38 -4.10 2.33 1.02 -1.26 -4.90 120.64 111.71 2qke n GLU 56 Ca 0.09 -1.48 -0.31 0.00 -0.02 0.00 0.00 57.16 55.44 2qke n GLU 56 Cb 0.05 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.83 2qke n GLU 56 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qke s ASP 57 N -0.73 5.26 -0.03 1.62 1.11 -0.91 -5.11 116.67 117.89 2qke s ASP 57 Ca 0.27 -0.09 -0.26 0.00 0.18 0.00 0.00 52.55 52.65 2qke s ASP 57 Cb 0.17 -1.34 0.06 0.00 1.07 0.00 0.00 42.92 42.88 2qke s ASP 57 CO 0.13 0.18 0.58 -1.59 1.18 0.00 0.00 175.17 175.65 2qke s LYS 58 N -2.28 0.98 -0.09 8.23 -2.85 -1.26 -4.79 119.74 117.68 2qke s LYS 58 Ca 0.27 0.08 0.03 0.00 -1.00 0.00 0.00 55.97 55.35 2qke s LYS 58 Cb -0.12 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 2qke s LYS 58 CO 0.19 -0.31 -0.17 0.42 0.10 0.00 0.00 175.35 175.58 2qke s ILE 59 N -1.44 2.76 0.12 3.79 1.01 -1.26 -4.63 121.20 121.56 2qke s ILE 59 Ca -0.11 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.85 2qke s ILE 59 Cb -0.01 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2qke s ILE 59 CO 0.07 0.56 -0.23 -0.76 0.00 0.00 0.00 174.94 174.58 2qke s LEU 60 N -0.12 2.49 0.45 2.97 1.43 -0.04 -4.90 118.68 120.97 2qke s LEU 60 Ca -0.03 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 2qke s LEU 60 Cb -0.14 -1.37 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 2qke s LEU 60 CO 0.04 0.18 1.11 0.00 0.23 0.00 0.00 176.35 177.91 2qke n ALA 61 N 0.86 0.65 0.06 4.21 0.00 -1.26 -1.31 120.51 123.72 2qke n ALA 61 Ca -0.17 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2qke n ALA 61 Cb 0.53 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 2qke n ALA 61 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qke h THR 62 N 1.58 1.04 -1.14 0.00 2.02 -1.90 -3.14 112.91 111.36 2qke h THR 62 Ca -0.47 -0.71 0.37 0.00 0.77 0.00 0.00 66.41 66.38 2qke h THR 62 Cb 1.32 1.48 -0.13 0.00 -1.74 0.00 0.00 68.15 69.08 2qke h THR 62 CO 0.57 0.17 0.70 -0.65 0.37 0.00 0.00 175.52 176.68 2qke h PRO 63 N -0.50 0.19 0.00 6.66 0.11 -1.97 -1.16 132.00 135.33 2qke h PRO 63 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2qke h PRO 63 Cb 0.40 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2qke h PRO 63 CO 0.03 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.20 2qke n THR 64 N -4.85 0.00 -0.29 -1.15 -2.24 -1.19 -3.48 114.28 101.08 2qke n THR 64 Ca 0.34 1.07 -0.04 0.00 -2.27 0.00 0.00 64.05 63.14 2qke n THR 64 Cb 1.19 -2.00 0.07 0.00 -2.10 0.00 0.00 70.33 67.49 2qke n THR 64 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2qke h LEU 65 N 0.00 0.91 -1.94 3.22 4.07 -1.57 -2.68 115.31 117.32 2qke h LEU 65 Ca 0.00 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.02 2qke h LEU 65 Cb 0.00 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 2qke h LEU 65 CO 0.00 0.67 0.44 0.00 -1.08 0.00 0.00 178.44 178.47 2qke h ALA 66 N 1.28 1.94 -0.57 1.53 0.00 -1.37 -1.89 119.26 120.19 2qke h ALA 66 Ca 0.29 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2qke h ALA 66 Cb -0.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2qke h ALA 66 CO -0.06 -0.60 0.34 -0.22 0.00 0.00 0.00 179.25 178.71 2qke h LYS 67 N 0.00 0.64 0.00 0.00 1.63 -1.51 -2.81 116.57 114.53 2qke h LYS 67 Ca 0.15 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2qke h LYS 67 Cb 1.02 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2qke h LYS 67 CO -0.00 0.42 0.00 -0.39 -3.45 0.00 0.00 179.45 176.03 2qke h VAL 68 N 0.66 0.00 -4.26 2.00 -1.51 -1.54 -3.47 116.25 108.14 2qke h VAL 68 Ca 0.23 -0.58 -0.52 0.00 -1.23 0.00 0.00 66.70 64.60 2qke h VAL 68 Cb 0.05 1.57 0.15 0.00 -2.13 0.00 0.00 31.29 30.92 2qke h VAL 68 CO -0.11 0.00 0.31 -0.76 -1.23 0.00 0.00 177.57 175.78 2qke s LEU 69 N -4.95 3.09 0.17 4.19 1.43 -1.06 -4.98 118.68 116.57 2qke s LEU 69 Ca 0.09 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 2qke s LEU 69 Cb 0.10 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 2qke s LEU 69 CO 0.60 -2.31 1.53 -2.84 0.23 0.00 0.00 176.35 173.56 2qke s PRO 70 N -4.53 4.23 0.12 1.29 0.02 -1.26 -4.70 135.00 130.17 2qke s PRO 70 Ca 0.66 2.32 -0.22 0.00 0.02 0.00 0.00 61.00 63.78 2qke s PRO 70 Cb -0.21 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 2qke s PRO 70 CO 0.52 -0.56 1.13 -2.30 -0.33 0.00 0.00 177.00 175.46 2qke n PRO 71 N 3.75 -0.31 0.12 5.54 -0.02 -1.26 0.14 135.00 142.95 2qke n PRO 71 Ca 0.13 1.11 0.20 0.00 -2.02 0.00 0.00 63.50 62.91 2qke n PRO 71 Cb 0.39 -1.63 0.76 0.00 -0.02 0.00 0.00 33.50 33.00 2qke n PRO 71 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2qke h PRO 72 N 0.00 0.00 0.18 0.52 0.13 -2.01 -1.32 132.00 129.49 2qke h PRO 72 Ca 0.13 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.90 2qke h PRO 72 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 2qke h PRO 72 CO -0.69 0.00 -1.80 0.28 -0.23 0.00 0.00 178.00 175.56 2qke h VAL 73 N 0.00 0.88 -0.72 1.56 2.07 0.81 -3.33 116.25 117.52 2qke h VAL 73 Ca 0.17 -2.49 0.07 0.00 0.82 0.00 0.00 66.70 65.27 2qke h VAL 73 Cb 0.98 2.72 -0.05 0.00 -1.52 0.00 0.00 31.29 33.42 2qke h VAL 73 CO -0.00 0.87 0.47 0.03 0.02 0.00 0.00 177.57 178.96 2qke h ARG 74 N 0.10 0.72 0.22 1.57 3.08 -0.36 -2.18 114.38 117.53 2qke h ARG 74 Ca -0.36 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2qke h ARG 74 Cb 2.09 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.95 2qke h ARG 74 CO 0.16 0.48 -0.40 0.00 -1.07 0.00 0.00 179.97 179.14 2qke h ARG 75 N 0.74 -0.64 -0.07 0.04 2.47 -1.41 0.57 114.38 116.09 2qke h ARG 75 Ca 0.31 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2qke h ARG 75 Cb 0.27 0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2qke h ARG 75 CO -0.10 -0.43 0.02 0.82 0.56 0.00 0.00 179.97 180.84 2qke h ILE 76 N -0.66 1.03 0.01 2.04 1.08 -1.63 -1.14 117.51 118.24 2qke h ILE 76 Ca -0.02 -0.11 -0.20 0.00 -0.39 0.00 0.00 64.86 64.13 2qke h ILE 76 Cb 0.62 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2qke h ILE 76 CO -0.15 0.04 -0.89 0.40 -0.69 0.00 0.00 178.15 176.86 2qke h ILE 77 N 0.09 1.52 -0.26 -0.67 5.03 -0.95 -1.49 117.51 120.79 2qke h ILE 77 Ca 0.02 -2.71 -0.08 0.00 -0.12 0.00 0.00 64.86 61.97 2qke h ILE 77 Cb 0.03 2.52 -0.01 0.00 -3.03 0.00 0.00 36.82 36.33 2qke h ILE 77 CO -0.00 0.79 -0.16 1.23 -0.68 0.00 0.00 178.15 179.32 2qke h GLY 78 N 2.01 0.62 1.02 5.37 0.00 0.13 -2.87 103.07 109.34 2qke h GLY 78 Ca -0.04 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 2qke h GLY 78 CO 0.13 0.53 -0.13 -0.55 0.00 0.00 0.00 176.54 176.52 2qke h ASP 79 N 0.30 0.85 0.09 0.19 5.19 -1.28 -0.41 116.42 121.34 2qke h ASP 79 Ca 0.05 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2qke h ASP 79 Cb 0.69 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2qke h ASP 79 CO 0.05 1.03 0.00 0.18 -3.12 0.00 0.00 179.24 177.38 2qke n LEU 80 N -4.27 0.40 -0.09 1.55 4.77 -0.56 -2.66 117.00 116.13 2qke n LEU 80 Ca -0.01 0.67 -0.17 0.00 -0.03 0.00 0.00 56.01 56.48 2qke n LEU 80 Cb 0.39 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2qke n LEU 80 CO 0.44 -0.77 -0.95 -0.24 -1.33 0.00 0.00 177.39 174.54 2qke n SER 81 N -2.02 1.73 -3.61 -1.43 2.88 -0.78 -1.44 113.62 108.95 2qke n SER 81 Ca -0.01 0.29 -0.36 0.00 -1.33 0.00 0.00 58.87 57.47 2qke n SER 81 Cb 0.05 -0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 2qke n SER 81 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2qke n ASN 82 N -4.18 5.62 0.00 -3.46 3.02 -0.23 -3.12 115.26 112.91 2qke n ASN 82 Ca -0.30 -3.52 0.00 0.00 -0.03 0.00 0.00 54.58 50.73 2qke n ASN 82 Cb 0.64 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 2qke n ASN 82 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2qke n ARG 83 N 0.67 0.00 0.00 3.52 0.63 -1.20 -4.81 116.66 115.47 2qke n ARG 83 Ca 0.32 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 2qke n ARG 83 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 2qke n ARG 83 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2qke n GLU 84 N 0.00 5.69 -0.78 -0.14 -0.58 -1.09 -5.02 120.64 118.72 2qke n GLU 84 Ca 0.00 -0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.68 2qke n GLU 84 Cb 0.00 -0.48 -0.01 0.00 -0.57 0.00 0.00 31.44 30.38 2qke n GLU 84 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qke n LYS 85 N -0.82 -1.42 0.07 3.49 4.01 -1.18 -4.75 118.16 117.55 2qke n LYS 85 Ca 0.00 0.19 -0.04 0.00 -0.51 0.00 0.00 58.31 57.95 2qke n LYS 85 Cb 0.00 -3.84 -0.08 0.00 -0.51 0.00 0.00 35.03 30.60 2qke n LYS 85 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 2qke h VAL 86 N 0.00 1.22 -2.63 -0.18 -1.51 -1.75 -3.44 116.25 107.95 2qke h VAL 86 Ca -0.05 -2.83 -0.54 0.00 -1.23 0.00 0.00 66.70 62.05 2qke h VAL 86 Cb 0.25 2.58 -0.07 0.00 -2.13 0.00 0.00 31.29 31.91 2qke h VAL 86 CO 0.08 0.69 1.08 -0.22 -1.23 0.00 0.00 177.57 177.97 2qke s LEU 87 N -6.44 3.30 -0.00 4.19 2.96 -0.52 0.11 118.68 122.27 2qke s LEU 87 Ca 0.00 -0.05 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 2qke s LEU 87 Cb 0.09 -2.83 -0.09 0.00 0.50 0.00 0.00 46.19 43.86 2qke s LEU 87 CO 0.80 -1.78 0.82 0.40 -1.32 0.00 0.00 176.35 175.27 2qke h ILE 88 N 6.24 0.00 -1.13 6.68 2.04 -1.20 -3.43 117.51 126.70 2qke h ILE 88 Ca -0.27 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2qke h ILE 88 Cb 1.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2qke h ILE 88 CO 1.22 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.98 2qke n GLY 89 N -0.10 2.69 3.83 5.37 0.00 -1.21 -4.59 105.19 111.18 2qke n GLY 89 Ca -0.07 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 2qke n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qke s LEU 90 N 0.00 -0.08 0.10 0.99 2.34 -0.42 -1.65 118.68 119.96 2qke s LEU 90 Ca 0.00 -0.93 -0.07 0.00 0.06 0.00 0.00 54.13 53.19 2qke s LEU 90 Cb 0.00 2.75 -0.01 0.00 -0.56 0.00 0.00 46.19 48.37 2qke s LEU 90 CO 0.00 -1.52 0.16 -0.62 -1.06 0.00 0.00 176.35 173.31 2qke s ASP 91 N -3.03 0.18 -0.12 1.48 2.15 -0.80 -0.86 116.67 115.67 2qke s ASP 91 Ca 0.14 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.30 2qke s ASP 91 Cb -0.05 0.33 0.02 0.00 -0.30 0.00 0.00 42.92 42.92 2qke s ASP 91 CO 0.09 -0.75 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.02 2qke s LEU 92 N -2.92 1.44 0.21 -1.34 2.96 -1.26 -2.05 118.68 115.72 2qke s LEU 92 Ca 0.10 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2qke s LEU 92 Cb 0.05 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2qke s LEU 92 CO -0.07 -0.07 0.01 -0.76 -1.32 0.00 0.00 176.35 174.14 2qke s LEU 93 N 1.46 3.28 -0.48 -0.68 1.43 -0.06 -4.93 118.68 118.71 2qke s LEU 93 Ca 0.02 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 2qke s LEU 93 Cb -0.13 -1.88 0.26 0.00 0.03 0.00 0.00 46.19 44.46 2qke s LEU 93 CO -0.07 0.05 0.62 0.00 0.23 0.00 0.00 176.35 177.18 2qke n TYR 94 N -0.48 1.19 -0.13 0.29 9.36 -1.26 0.63 117.16 126.76 2qke n TYR 94 Ca -0.08 -3.79 0.00 0.00 3.32 0.00 0.00 57.90 57.34 2qke n TYR 94 Cb 0.57 -0.43 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 2qke n TYR 94 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 2qke n GLU 95 N 1.11 3.46 0.05 2.98 0.28 -0.80 -4.77 120.64 122.96 2qke n GLU 95 Ca 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 2qke n GLU 95 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 2qke n GLU 95 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2qke n GLU 96 N 0.00 0.00 -3.92 3.44 2.13 -1.26 -1.17 120.64 119.86 2qke n GLU 96 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2qke n GLU 96 Cb 0.00 -0.04 -0.06 0.00 0.27 0.00 0.00 31.44 31.61 2qke n GLU 96 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2qke s ILE 97 N -1.42 0.03 0.00 6.31 1.01 -1.26 -4.24 121.20 121.63 2qke s ILE 97 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.41 2qke s ILE 97 Cb 0.00 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2qke s ILE 97 CO 0.00 -0.14 0.24 0.61 0.00 0.00 0.00 174.94 175.65