#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 -0.25 0.14 -5.12 0.00 -1.26 -4.96 121.76 110.32 2qke s ALA 2 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 2qke s ALA 2 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.19 2qke s ALA 2 CO 0.00 -4.19 1.65 -1.00 0.00 0.00 0.00 175.76 172.22 2qke h PRO 3 N -3.07 0.75 -6.21 0.00 0.13 -2.08 -3.45 132.00 118.07 2qke h PRO 3 Ca -0.45 -0.18 -0.53 0.00 -0.87 0.00 0.00 66.00 63.97 2qke h PRO 3 Cb 1.32 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2qke h PRO 3 CO 0.32 0.73 -0.26 -0.51 -0.23 0.00 0.00 178.00 178.06 2qke s LEU 4 N -9.62 3.00 -0.39 1.56 1.02 -1.26 -5.08 118.68 107.90 2qke s LEU 4 Ca -0.13 -1.00 -0.00 0.00 0.02 0.00 0.00 54.13 53.02 2qke s LEU 4 Cb 0.11 -1.55 0.24 0.00 0.02 0.00 0.00 46.19 45.01 2qke s LEU 4 CO 0.79 -1.07 1.06 0.54 0.02 0.00 0.00 176.35 177.69 2qke n ARG 5 N -1.86 0.32 -4.39 1.70 5.12 -1.26 -5.02 116.66 111.27 2qke n ARG 5 Ca 0.05 -1.13 -0.34 0.00 -1.93 0.00 0.00 57.85 54.50 2qke n ARG 5 Cb 0.63 -0.58 -0.13 0.00 -1.16 0.00 0.00 32.46 31.21 2qke n ARG 5 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2qke s LYS 6 N 0.57 3.49 0.07 5.56 1.02 -1.26 -4.31 119.74 124.87 2qke s LYS 6 Ca 0.27 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 2qke s LYS 6 Cb 0.16 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2qke s LYS 6 CO -0.12 0.11 0.25 0.99 -0.92 0.00 0.00 175.35 175.66 2qke s THR 7 N 0.68 0.11 -1.03 2.17 2.01 -0.93 -4.95 115.64 113.69 2qke s THR 7 Ca -0.04 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 60.83 2qke s THR 7 Cb -0.15 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2qke s THR 7 CO 0.02 -0.49 1.88 -0.31 -0.69 0.00 0.00 174.62 175.03 2qke s TYR 8 N -3.20 1.98 0.17 4.92 1.51 -1.20 -2.37 117.35 119.15 2qke s TYR 8 Ca -0.00 0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.06 2qke s TYR 8 Cb 0.02 -4.13 -0.08 0.00 -0.11 0.00 0.00 41.96 37.65 2qke s TYR 8 CO -0.07 -1.59 1.33 0.08 -1.11 0.00 0.00 175.55 174.19 2qke s VAL 9 N 9.56 3.26 -0.47 0.71 1.01 0.28 -3.74 120.40 131.01 2qke s VAL 9 Ca 0.66 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 63.50 2qke s VAL 9 Cb -0.04 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2qke s VAL 9 CO 0.03 0.12 0.38 -0.22 0.00 0.00 0.00 175.10 175.41 2qke s LEU 10 N 0.32 5.63 -0.06 3.92 2.96 0.54 -1.69 118.68 130.31 2qke s LEU 10 Ca 0.59 -1.54 -0.19 0.00 -0.22 0.00 0.00 54.13 52.77 2qke s LEU 10 Cb -0.36 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2qke s LEU 10 CO 0.35 -0.67 0.54 -0.54 -1.32 0.00 0.00 176.35 174.72 2qke s LYS 11 N 1.54 4.30 -0.07 1.98 1.02 -0.56 -2.18 119.74 125.78 2qke s LYS 11 Ca 0.04 0.61 0.04 0.00 0.02 0.00 0.00 55.97 56.67 2qke s LYS 11 Cb -0.25 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 2qke s LYS 11 CO 0.04 0.28 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.06 2qke s LEU 12 N 0.17 2.51 -0.27 3.17 1.02 0.93 -1.98 118.68 124.23 2qke s LEU 12 Ca 0.29 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 54.09 2qke s LEU 12 Cb -0.17 -1.51 0.03 0.00 0.02 0.00 0.00 46.19 44.57 2qke s LEU 12 CO 0.14 0.27 -0.04 -0.31 0.02 0.00 0.00 176.35 176.43 2qke s TYR 13 N -0.28 3.13 0.11 0.29 1.51 -0.86 0.82 117.35 122.07 2qke s TYR 13 Ca 0.01 -1.61 0.10 0.00 -1.01 0.00 0.00 57.07 54.56 2qke s TYR 13 Cb -0.13 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 2qke s TYR 13 CO 0.03 -0.74 -0.25 0.14 -1.11 0.00 0.00 175.55 173.61 2qke s VAL 14 N 1.31 2.09 -0.39 0.71 -7.23 0.35 0.46 120.40 117.69 2qke s VAL 14 Ca -0.01 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 2qke s VAL 14 Cb -0.18 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.93 2qke s VAL 14 CO -0.03 0.10 0.32 0.00 -0.31 0.00 0.00 175.10 175.18 2qke s ALA 15 N -1.04 3.48 0.00 1.32 0.00 0.27 -0.78 121.76 125.00 2qke s ALA 15 Ca 0.12 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2qke s ALA 15 Cb -0.10 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2qke s ALA 15 CO 0.05 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2qke n GLY 16 N 5.12 -2.24 3.16 0.00 0.00 -1.26 -4.72 105.19 105.26 2qke n GLY 16 Ca -0.10 -1.52 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 2qke n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qke s ASN 17 N -2.58 -1.31 -0.03 1.61 2.20 -1.26 -4.94 114.94 108.63 2qke s ASN 17 Ca 0.00 -0.72 -0.25 0.00 -0.94 0.00 0.00 52.86 50.95 2qke s ASN 17 Cb 0.00 1.86 -0.04 0.00 -2.00 0.00 0.00 41.25 41.07 2qke s ASN 17 CO 0.00 -0.19 0.77 0.42 -2.94 0.00 0.00 177.10 175.16 2qke s THR 18 N 1.94 4.94 -0.73 0.54 -4.23 -1.26 -4.91 115.64 111.93 2qke s THR 18 Ca 0.15 1.61 -0.25 0.00 -1.18 0.00 0.00 61.69 62.02 2qke s THR 18 Cb -0.06 -4.11 -0.13 0.00 1.34 0.00 0.00 72.50 69.53 2qke s THR 18 CO -0.09 0.26 2.41 -0.81 -0.54 0.00 0.00 174.62 175.85 2qke n PRO 19 N 3.58 0.64 0.00 3.99 -0.04 -1.26 -0.01 135.00 141.90 2qke n PRO 19 Ca -0.00 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2qke n PRO 19 Cb 0.51 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 2qke n PRO 19 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2qke n ASN 20 N 17.36 0.00 0.08 3.54 5.15 -1.26 -4.86 115.26 135.27 2qke n ASN 20 Ca 0.46 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.33 2qke n ASN 20 Cb 0.44 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.63 2qke n ASN 20 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2qke h SER 21 N 0.00 0.30 0.13 1.20 4.64 -0.82 -2.20 113.55 116.80 2qke h SER 21 Ca 0.00 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 2qke h SER 21 Cb 0.00 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2qke h SER 21 CO 0.00 1.12 -0.25 0.58 -0.87 0.00 0.00 176.83 177.42 2qke h VAL 22 N 0.10 1.23 0.47 0.95 2.07 -1.85 0.35 116.25 119.57 2qke h VAL 22 Ca -0.07 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 2qke h VAL 22 Cb 1.67 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2qke h VAL 22 CO 0.15 0.32 -0.23 0.03 0.02 0.00 0.00 177.57 177.87 2qke h ARG 23 N 0.18 -0.61 -1.01 1.57 3.08 -1.81 -2.00 114.38 113.79 2qke h ARG 23 Ca 0.03 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.36 2qke h ARG 23 Cb 0.54 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.63 2qke h ARG 23 CO 0.04 -0.40 0.64 0.00 -1.07 0.00 0.00 179.97 179.17 2qke h ALA 24 N -1.39 2.09 -0.57 0.04 0.00 -1.23 0.57 119.26 118.77 2qke h ALA 24 Ca -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2qke h ALA 24 Cb 0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2qke h ALA 24 CO 0.11 -0.47 0.01 -0.07 0.00 0.00 0.00 179.25 178.82 2qke h LEU 25 N 0.48 0.98 -0.66 0.00 3.38 -0.29 0.22 115.31 119.42 2qke h LEU 25 Ca 0.58 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2qke h LEU 25 Cb 1.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2qke h LEU 25 CO -0.31 1.04 0.17 0.11 0.09 0.00 0.00 178.44 179.55 2qke h LYS 26 N 0.89 1.04 0.17 1.13 1.57 0.71 -1.10 116.57 120.98 2qke h LYS 26 Ca 0.16 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2qke h LYS 26 Cb 0.54 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2qke h LYS 26 CO 0.03 0.93 -0.13 1.15 -0.57 0.00 0.00 179.45 180.86 2qke h THR 27 N 0.97 0.00 -1.17 -0.16 2.02 0.21 -2.28 112.91 112.49 2qke h THR 27 Ca 0.21 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.72 2qke h THR 27 Cb 0.35 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.67 2qke h THR 27 CO 0.00 0.00 0.79 0.25 0.37 0.00 0.00 175.52 176.93 2qke h LEU 28 N -0.29 0.24 -2.20 2.58 5.85 -0.60 0.56 115.31 121.46 2qke h LEU 28 Ca -0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2qke h LEU 28 Cb 0.24 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2qke h LEU 28 CO 0.01 0.01 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.93 2qke h ASN 29 N 0.19 0.00 0.18 1.25 -0.00 -0.61 -2.80 115.58 113.79 2qke h ASN 29 Ca 0.64 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 56.59 2qke h ASN 29 Cb 2.04 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 40.30 2qke h ASN 29 CO -0.21 0.06 -2.10 -0.46 -0.00 0.00 0.00 177.43 174.71 2qke n ASN 30 N -3.81 1.10 0.28 1.15 0.23 0.19 -3.43 115.26 110.98 2qke n ASN 30 Ca -0.02 0.15 0.17 0.00 -0.53 0.00 0.00 54.58 54.34 2qke n ASN 30 Cb 0.15 -0.00 0.82 0.00 -2.08 0.00 0.00 39.78 38.67 2qke n ASN 30 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2qke h ILE 31 N 0.02 0.10 0.00 1.53 1.08 -1.17 0.64 117.51 119.71 2qke h ILE 31 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2qke h ILE 31 Cb 2.06 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 2qke h ILE 31 CO 0.04 0.00 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.20 2qke h LEU 32 N 0.00 0.00 -0.84 1.44 3.38 -1.64 -3.07 115.31 114.59 2qke h LEU 32 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qke h LEU 32 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2qke h LEU 32 CO -0.00 0.40 0.10 -0.62 0.09 0.00 0.00 178.44 178.40 2qke n GLU 33 N -3.58 0.08 0.00 1.13 1.02 -1.04 0.15 120.64 118.40 2qke n GLU 33 Ca -0.03 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2qke n GLU 33 Cb 0.12 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 2qke n GLU 33 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qke n LYS 34 N -1.94 0.00 0.29 3.49 4.81 0.19 -3.49 118.16 121.51 2qke n LYS 34 Ca -0.01 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.60 2qke n LYS 34 Cb 0.12 -0.31 0.84 0.00 0.02 0.00 0.00 35.03 35.69 2qke n LYS 34 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2qke h GLU 35 N 0.00 0.00 -1.09 1.64 5.08 -1.48 -3.22 114.58 115.51 2qke h GLU 35 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2qke h GLU 35 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 2qke h GLU 35 CO 0.00 0.06 -1.08 1.19 -1.00 0.00 0.00 179.01 178.18 2qke n PHE 36 N -3.32 1.71 -1.51 4.33 3.01 0.12 -5.06 117.46 116.75 2qke n PHE 36 Ca -0.01 -2.83 -0.42 0.00 1.01 0.00 0.00 57.45 55.20 2qke n PHE 36 Cb 0.22 -0.30 -0.07 0.00 -0.01 0.00 0.00 39.48 39.32 2qke n PHE 36 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2qke n LYS 37 N -0.19 0.85 0.00 -1.08 2.85 -1.14 -1.29 118.16 118.16 2qke n LYS 37 Ca 0.16 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2qke n LYS 37 Cb 0.78 -2.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.49 2qke n LYS 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qke n GLY 38 N 6.28 2.65 0.23 2.58 0.00 -1.26 -4.91 105.19 110.75 2qke n GLY 38 Ca 0.45 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2qke n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qke h VAL 39 N 0.00 1.30 -2.22 1.61 2.07 -1.56 -3.45 116.25 114.01 2qke h VAL 39 Ca 0.00 -1.74 -0.56 0.00 0.82 0.00 0.00 66.70 65.22 2qke h VAL 39 Cb 0.00 1.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.32 2qke h VAL 39 CO 0.00 0.55 -0.55 -0.31 0.02 0.00 0.00 177.57 177.28 2qke s TYR 40 N -4.08 1.90 -0.24 1.57 1.51 -1.20 -3.26 117.35 113.56 2qke s TYR 40 Ca -0.08 -1.08 -0.18 0.00 -1.01 0.00 0.00 57.07 54.71 2qke s TYR 40 Cb 0.11 -1.32 0.07 0.00 -0.11 0.00 0.00 41.96 40.71 2qke s TYR 40 CO 0.85 -0.06 0.61 0.00 -1.11 0.00 0.00 175.55 175.84 2qke s ALA 41 N -3.14 -1.56 0.44 3.71 0.00 -1.25 -4.83 121.76 115.14 2qke s ALA 41 Ca 0.25 1.90 -0.05 0.00 0.00 0.00 0.00 51.96 54.05 2qke s ALA 41 Cb 0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2qke s ALA 41 CO 0.13 -0.31 0.74 -1.17 0.00 0.00 0.00 175.76 175.15 2qke s LEU 42 N 0.82 3.74 -0.30 0.00 2.96 -1.26 -0.34 118.68 124.30 2qke s LEU 42 Ca -0.04 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 2qke s LEU 42 Cb -0.05 -3.81 0.18 0.00 0.50 0.00 0.00 46.19 43.01 2qke s LEU 42 CO -0.07 -0.49 0.72 -0.75 -1.32 0.00 0.00 176.35 174.45 2qke s LYS 43 N -4.46 0.47 -0.08 1.98 2.36 -0.93 -4.84 119.74 114.25 2qke s LYS 43 Ca 0.47 0.90 -0.06 0.00 -2.55 0.00 0.00 55.97 54.73 2qke s LYS 43 Cb -0.10 0.51 -0.04 0.00 -1.05 0.00 0.00 37.83 37.14 2qke s LYS 43 CO 0.41 -0.46 0.15 0.08 1.55 0.00 0.00 175.35 177.08 2qke s VAL 44 N 2.86 5.47 -0.19 4.02 1.01 -1.26 -0.05 120.40 132.25 2qke s VAL 44 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2qke s VAL 44 Cb -0.13 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.86 2qke s VAL 44 CO -0.18 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 174.78 2qke s ILE 45 N -1.12 1.10 -0.32 2.22 1.01 0.24 -4.90 121.20 119.43 2qke s ILE 45 Ca 0.19 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 2qke s ILE 45 Cb -0.12 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 2qke s ILE 45 CO 0.09 -0.02 0.72 -0.62 0.00 0.00 0.00 174.94 175.11 2qke s ASP 46 N 1.61 6.57 0.50 3.58 2.15 -1.26 -0.50 116.67 129.33 2qke s ASP 46 Ca -0.02 0.50 0.27 0.00 0.43 0.00 0.00 52.55 53.73 2qke s ASP 46 Cb -0.17 -2.37 1.30 0.00 -0.30 0.00 0.00 42.92 41.38 2qke s ASP 46 CO -0.07 -0.58 2.00 0.58 -0.17 0.00 0.00 175.17 176.92 2qke h VAL 47 N 5.61 0.55 -0.01 1.11 2.07 -1.15 -0.63 116.25 123.79 2qke h VAL 47 Ca -0.25 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 2qke h VAL 47 Cb 1.10 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2qke h VAL 47 CO 0.86 0.15 -0.47 -0.07 0.02 0.00 0.00 177.57 178.05 2qke h LEU 48 N 0.00 0.03 0.00 2.57 4.07 -1.91 -0.34 115.31 119.73 2qke h LEU 48 Ca -0.00 -0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 2qke h LEU 48 Cb 0.46 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 2qke h LEU 48 CO 0.02 0.50 -1.60 1.17 -1.08 0.00 0.00 178.44 177.45 2qke n LYS 49 N -3.98 0.63 -3.34 1.13 4.81 -0.99 -4.66 118.16 111.76 2qke n LYS 49 Ca -0.02 0.14 -0.26 0.00 -0.87 0.00 0.00 58.31 57.31 2qke n LYS 49 Cb 0.49 -1.74 -0.09 0.00 0.02 0.00 0.00 35.03 33.71 2qke n LYS 49 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2qke n ASN 50 N -2.80 -0.65 0.22 3.14 3.02 -0.28 -5.00 115.26 112.91 2qke n ASN 50 Ca -0.12 -2.42 -0.15 0.00 -0.03 0.00 0.00 54.58 51.87 2qke n ASN 50 Cb 0.85 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.52 2qke n ASN 50 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2qke h PRO 51 N 5.52 -0.53 -6.33 3.52 0.11 -1.32 -3.39 132.00 129.58 2qke h PRO 51 Ca 0.25 0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.86 2qke h PRO 51 Cb 0.92 0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.17 2qke h PRO 51 CO 0.35 -0.25 1.22 -0.65 -0.21 0.00 0.00 178.00 178.47 2qke s GLN 52 N -5.20 4.11 0.26 1.05 1.11 -1.26 -4.97 119.66 114.76 2qke s GLN 52 Ca -0.15 2.54 -0.22 0.00 0.01 0.00 0.00 55.36 57.54 2qke s GLN 52 Cb 0.03 -4.15 -0.09 0.00 -1.01 0.00 0.00 33.01 27.79 2qke s GLN 52 CO 0.57 -0.98 0.80 -0.51 0.01 0.00 0.00 175.29 175.18 2qke s LEU 53 N 4.53 4.33 0.13 2.90 1.02 -1.26 -5.06 118.68 125.27 2qke s LEU 53 Ca 0.87 1.55 -0.23 0.00 0.02 0.00 0.00 54.13 56.33 2qke s LEU 53 Cb -0.41 -3.75 -0.07 0.00 0.02 0.00 0.00 46.19 41.98 2qke s LEU 53 CO 0.40 -0.01 0.71 0.00 0.02 0.00 0.00 176.35 177.47 2qke s ALA 54 N -1.57 3.49 0.06 4.21 0.00 -1.26 -4.94 121.76 121.75 2qke s ALA 54 Ca 0.46 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 2qke s ALA 54 Cb -0.17 -2.86 0.07 0.00 0.00 0.00 0.00 23.12 20.16 2qke s ALA 54 CO 0.22 0.32 0.38 0.39 0.00 0.00 0.00 175.76 177.06 2qke n GLU 55 N 1.68 -0.05 0.24 0.00 1.02 -1.26 0.19 120.64 122.47 2qke n GLU 55 Ca -0.07 0.38 0.13 0.00 -0.02 0.00 0.00 57.16 57.57 2qke n GLU 55 Cb 0.49 -0.56 0.54 0.00 -0.02 0.00 0.00 31.44 31.89 2qke n GLU 55 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qke h GLU 56 N 0.00 0.00 -6.67 3.49 5.08 -2.05 -3.44 114.58 111.00 2qke h GLU 56 Ca 0.09 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.93 2qke h GLU 56 Cb 0.15 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.44 2qke h GLU 56 CO -0.24 0.13 0.70 -0.51 -1.00 0.00 0.00 179.01 178.08 2qke s ASP 57 N -6.01 6.82 0.00 1.42 1.01 0.51 -5.02 116.67 115.40 2qke s ASP 57 Ca 0.01 2.45 0.00 0.00 0.71 0.00 0.00 52.55 55.72 2qke s ASP 57 Cb 0.10 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 2qke s ASP 57 CO 0.60 -0.60 -0.02 -0.75 0.21 0.00 0.00 175.17 174.62 2qke s LYS 58 N 0.10 0.14 -0.24 8.23 2.20 -1.26 -4.77 119.74 124.13 2qke s LYS 58 Ca 0.59 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.09 2qke s LYS 58 Cb -0.38 -0.08 0.05 0.00 -1.51 0.00 0.00 37.83 35.91 2qke s LYS 58 CO 0.38 0.02 -0.13 0.42 -0.36 0.00 0.00 175.35 175.68 2qke s ILE 59 N -0.23 2.20 0.31 5.43 1.01 -1.26 -4.61 121.20 124.04 2qke s ILE 59 Ca -0.02 -1.43 0.07 0.00 0.00 0.00 0.00 60.65 59.27 2qke s ILE 59 Cb -0.02 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 2qke s ILE 59 CO -0.00 0.12 0.38 -0.76 0.00 0.00 0.00 174.94 174.67 2qke s LEU 60 N 1.16 3.91 -0.05 2.97 1.43 0.26 -4.87 118.68 123.49 2qke s LEU 60 Ca -0.05 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 2qke s LEU 60 Cb -0.18 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 2qke s LEU 60 CO -0.07 -0.32 1.51 0.00 0.23 0.00 0.00 176.35 177.71 2qke s ALA 61 N -2.18 3.62 0.17 4.21 0.00 -1.26 -1.20 121.76 125.13 2qke s ALA 61 Ca 0.41 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 2qke s ALA 61 Cb -0.08 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.52 2qke s ALA 61 CO 0.29 -1.20 1.17 2.41 0.00 0.00 0.00 175.76 178.43 2qke n THR 62 N 5.18 -0.41 -0.27 0.00 -1.04 -1.26 -1.51 114.28 114.98 2qke n THR 62 Ca 0.15 1.77 0.05 0.00 -2.04 0.00 0.00 64.05 63.99 2qke n THR 62 Cb 0.43 -2.33 0.16 0.00 -1.82 0.00 0.00 70.33 66.77 2qke n THR 62 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2qke h PRO 63 N 0.00 0.07 0.00 -2.82 0.11 -1.99 -1.18 132.00 126.19 2qke h PRO 63 Ca 0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2qke h PRO 63 Cb 0.44 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2qke h PRO 63 CO -0.75 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 177.34 2qke n THR 64 N -5.39 0.00 0.30 -1.15 -2.24 -0.57 -3.63 114.28 101.61 2qke n THR 64 Ca 0.14 1.41 0.18 0.00 -2.27 0.00 0.00 64.05 63.50 2qke n THR 64 Cb 0.48 -2.40 0.79 0.00 -2.10 0.00 0.00 70.33 67.10 2qke n THR 64 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qke h LEU 65 N 0.00 0.00 0.39 3.22 5.85 -1.63 -3.26 115.31 119.88 2qke h LEU 65 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2qke h LEU 65 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2qke h LEU 65 CO 0.00 0.00 -0.19 0.00 -0.34 0.00 0.00 178.44 177.91 2qke h ALA 66 N 2.04 -0.52 -1.18 1.25 0.00 -1.27 -3.15 119.26 116.43 2qke h ALA 66 Ca 0.00 -0.11 0.34 0.00 0.00 0.00 0.00 54.91 55.14 2qke h ALA 66 Cb 0.32 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2qke h ALA 66 CO 0.00 -0.79 1.21 0.87 0.00 0.00 0.00 179.25 180.54 2qke h LYS 67 N -0.52 0.00 -0.41 0.00 1.57 -1.67 1.02 116.57 116.55 2qke h LYS 67 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qke h LYS 67 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2qke h LYS 67 CO 0.09 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.30 2qke n VAL 68 N -3.42 0.55 -3.91 0.50 0.24 -1.19 -4.91 118.33 106.18 2qke n VAL 68 Ca 0.26 -0.59 -0.24 0.00 -2.04 0.00 0.00 64.34 61.73 2qke n VAL 68 Cb 1.57 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 34.29 2qke n VAL 68 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qke s LEU 69 N -1.13 4.31 0.34 1.34 1.43 0.35 -5.06 118.68 120.25 2qke s LEU 69 Ca 0.32 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 2qke s LEU 69 Cb 0.17 -2.93 -0.13 0.00 0.03 0.00 0.00 46.19 43.34 2qke s LEU 69 CO 0.23 -0.02 1.05 -2.65 0.23 0.00 0.00 176.35 175.19 2qke n PRO 70 N -0.97 1.49 -0.19 1.29 -0.02 -1.26 -4.64 135.00 130.71 2qke n PRO 70 Ca -0.08 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2qke n PRO 70 Cb 0.55 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 2qke n PRO 70 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qke h PRO 71 N 1.96 -0.22 -0.26 0.52 0.11 -1.96 0.23 132.00 132.37 2qke h PRO 71 Ca -0.42 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 2qke h PRO 71 Cb 1.33 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 2qke h PRO 71 CO 0.60 -0.15 -0.04 -1.00 -0.21 0.00 0.00 178.00 177.21 2qke h PRO 72 N -0.23 0.40 -0.35 1.05 0.13 -2.00 -2.68 132.00 128.33 2qke h PRO 72 Ca 0.19 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2qke h PRO 72 Cb 0.56 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2qke h PRO 72 CO -0.66 0.46 0.00 0.28 -0.23 0.00 0.00 178.00 177.85 2qke h VAL 73 N 0.38 1.26 -0.63 1.56 2.07 -1.44 -2.83 116.25 116.62 2qke h VAL 73 Ca 0.08 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.70 2qke h VAL 73 Cb 0.31 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2qke h VAL 73 CO 0.01 0.32 0.42 0.03 0.02 0.00 0.00 177.57 178.37 2qke h ARG 74 N 0.42 0.63 -0.52 1.57 3.08 -0.34 -1.13 114.38 118.07 2qke h ARG 74 Ca 0.10 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 2qke h ARG 74 Cb 0.45 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2qke h ARG 74 CO 0.02 0.41 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.19 2qke h ARG 75 N 0.65 0.96 -0.02 0.04 2.43 -1.25 -0.67 114.38 116.52 2qke h ARG 75 Ca 0.27 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qke h ARG 75 Cb 0.24 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2qke h ARG 75 CO -0.08 0.99 -0.00 0.82 -1.51 0.00 0.00 179.97 180.19 2qke h ILE 76 N 0.83 1.25 -0.91 1.20 1.08 -1.22 -2.09 117.51 117.66 2qke h ILE 76 Ca 0.14 -0.75 0.23 0.00 -0.39 0.00 0.00 64.86 64.09 2qke h ILE 76 Cb 0.59 1.72 -0.06 0.00 -3.07 0.00 0.00 36.82 36.01 2qke h ILE 76 CO 0.04 0.20 0.62 0.40 -0.69 0.00 0.00 178.15 178.72 2qke h ILE 77 N -0.27 0.61 -0.15 -0.67 1.08 -1.09 -0.75 117.51 116.28 2qke h ILE 77 Ca 0.01 -0.08 -0.12 0.00 -0.39 0.00 0.00 64.86 64.28 2qke h ILE 77 Cb 0.32 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2qke h ILE 77 CO 0.00 0.04 -0.38 1.23 -0.69 0.00 0.00 178.15 178.36 2qke h GLY 78 N 0.23 0.56 0.98 5.37 0.00 -0.65 -2.89 103.07 106.67 2qke h GLY 78 Ca 0.46 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2qke h GLY 78 CO -0.12 0.63 -0.29 -0.55 0.00 0.00 0.00 176.54 176.22 2qke h ASP 79 N 0.13 -0.69 -1.15 0.19 3.32 -0.52 -1.32 116.42 116.39 2qke h ASP 79 Ca -0.01 0.03 0.35 0.00 0.02 0.00 0.00 57.03 57.42 2qke h ASP 79 Cb 0.99 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.60 2qke h ASP 79 CO 0.08 -0.47 0.73 -0.07 -1.72 0.00 0.00 179.24 177.78 2qke h LEU 80 N -0.77 0.37 0.07 1.55 3.38 -1.31 1.69 115.31 120.28 2qke h LEU 80 Ca -0.07 0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 2qke h LEU 80 Cb 0.60 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2qke h LEU 80 CO 0.11 -0.07 -1.47 0.77 0.09 0.00 0.00 178.44 177.87 2qke h SER 81 N 0.24 0.23 0.43 -0.43 4.64 -1.31 -2.19 113.55 115.17 2qke h SER 81 Ca 0.72 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2qke h SER 81 Cb 2.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 2qke h SER 81 CO -0.41 1.62 -0.75 0.59 -0.87 0.00 0.00 176.83 177.01 2qke n ASN 82 N -4.02 0.63 0.00 4.97 3.02 -0.51 -4.14 115.26 115.21 2qke n ASN 82 Ca -0.29 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 2qke n ASN 82 Cb 0.84 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 2qke n ASN 82 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qke n ARG 83 N -1.68 0.00 0.00 3.52 1.74 0.57 -4.71 116.66 116.10 2qke n ARG 83 Ca 0.04 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 2qke n ARG 83 Cb 0.37 -0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.91 2qke n ARG 83 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2qke n GLU 84 N -2.42 0.13 -3.70 5.56 4.71 -0.89 -4.81 120.64 119.21 2qke n GLU 84 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 2qke n GLU 84 Cb 0.00 -1.43 -0.06 0.00 -1.01 0.00 0.00 31.44 28.94 2qke n GLU 84 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qke n LYS 85 N -0.93 -0.86 0.00 3.49 4.76 -1.13 -4.73 118.16 118.76 2qke n LYS 85 Ca 0.03 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2qke n LYS 85 Cb 0.01 -3.01 0.00 0.00 -1.84 0.00 0.00 35.03 30.19 2qke n LYS 85 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2qke n VAL 86 N -3.22 0.00 -2.52 -0.18 0.24 -0.84 -4.94 118.33 106.86 2qke n VAL 86 Ca -0.04 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 2qke n VAL 86 Cb 0.39 0.44 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 2qke n VAL 86 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qke s LEU 87 N -2.02 3.55 0.04 1.34 2.96 -1.08 -0.57 118.68 122.90 2qke s LEU 87 Ca 0.00 0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 54.13 2qke s LEU 87 Cb 0.00 -3.40 -0.14 0.00 0.50 0.00 0.00 46.19 43.15 2qke s LEU 87 CO 0.00 -1.40 1.36 0.40 -1.32 0.00 0.00 176.35 175.39 2qke h ILE 88 N 6.28 1.34 0.00 6.68 2.04 -0.34 -3.44 117.51 130.07 2qke h ILE 88 Ca -0.25 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.37 2qke h ILE 88 Cb 1.07 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2qke h ILE 88 CO 1.14 0.36 0.00 0.61 0.00 0.00 0.00 178.15 180.27 2qke n GLY 89 N 0.13 -1.10 2.23 5.37 0.00 -1.18 -4.67 105.19 105.97 2qke n GLY 89 Ca -0.06 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 2qke n GLY 89 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2qke n LEU 90 N 0.00 0.00 -3.53 0.99 -0.00 -0.34 -2.03 117.00 112.09 2qke n LEU 90 Ca 0.00 -1.79 -0.09 0.00 -0.00 0.00 0.00 56.01 54.13 2qke n LEU 90 Cb 0.00 1.86 -0.02 0.00 -0.00 0.00 0.00 43.42 45.26 2qke n LEU 90 CO 0.00 -0.46 0.54 -0.62 -0.00 0.00 0.00 177.39 176.85 2qke s ASP 91 N -2.38 -0.43 -0.24 1.45 2.15 -0.84 -0.57 116.67 115.82 2qke s ASP 91 Ca 0.16 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.03 2qke s ASP 91 Cb -0.01 0.53 0.07 0.00 -0.30 0.00 0.00 42.92 43.21 2qke s ASP 91 CO 0.12 -0.89 0.03 -0.22 -0.17 0.00 0.00 175.17 174.04 2qke s LEU 92 N -2.69 1.89 0.07 -1.34 2.96 -1.26 -1.49 118.68 116.81 2qke s LEU 92 Ca 0.05 -1.15 0.07 0.00 -0.22 0.00 0.00 54.13 52.88 2qke s LEU 92 Cb -0.02 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.80 2qke s LEU 92 CO -0.08 -0.32 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.68 2qke s LEU 93 N 1.65 2.23 -1.15 -0.68 1.43 -0.68 -4.94 118.68 116.54 2qke s LEU 93 Ca 0.01 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 2qke s LEU 93 Cb -0.18 -0.84 0.19 0.00 0.03 0.00 0.00 46.19 45.40 2qke s LEU 93 CO -0.12 0.08 1.32 -0.47 0.23 0.00 0.00 176.35 177.39 2qke s TYR 94 N -1.00 3.64 0.15 0.29 6.14 -1.26 0.99 117.35 126.29 2qke s TYR 94 Ca 0.05 -2.18 0.01 0.00 0.64 0.00 0.00 57.07 55.59 2qke s TYR 94 Cb -0.09 -4.20 0.01 0.00 0.42 0.00 0.00 41.96 38.10 2qke s TYR 94 CO 0.03 -1.30 0.07 0.39 0.64 0.00 0.00 175.55 175.38 2qke n GLU 95 N 5.06 1.41 0.43 4.97 1.02 -1.00 -4.73 120.64 127.80 2qke n GLU 95 Ca 0.32 -0.97 -0.17 0.00 -0.02 0.00 0.00 57.16 56.32 2qke n GLU 95 Cb 0.43 0.16 -0.08 0.00 -0.02 0.00 0.00 31.44 31.93 2qke n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qke h GLU 96 N 0.00 -1.06 -6.42 3.49 4.39 -1.88 -2.48 114.58 110.63 2qke h GLU 96 Ca -0.10 0.07 -0.37 0.00 0.34 0.00 0.00 59.36 59.30 2qke h GLU 96 Cb 0.35 0.24 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2qke h GLU 96 CO 0.17 -0.71 -0.97 1.51 -1.16 0.00 0.00 179.01 177.85 2qke n ILE 97 N -5.27 -4.92 0.00 3.13 0.13 -1.26 -4.41 119.36 106.77 2qke n ILE 97 Ca -0.14 0.06 0.00 0.00 -1.10 0.00 0.00 62.75 61.58 2qke n ILE 97 Cb 0.43 -3.93 0.00 0.00 -0.84 0.00 0.00 39.64 35.30 2qke n ILE 97 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qke n GLY 98 N -1.08 0.23 3.74 4.50 0.00 -1.26 -4.99 105.19 106.32 2qke n GLY 98 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2qke n GLY 98 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qke n ASP 99 N 0.00 3.38 -4.52 1.61 5.75 -1.26 -5.00 116.55 116.51 2qke n ASP 99 Ca 0.00 1.21 -0.31 0.00 -0.01 0.00 0.00 54.79 55.68 2qke n ASP 99 Cb 0.00 -1.56 0.18 0.00 -1.03 0.00 0.00 41.12 38.71 2qke n ASP 99 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2qke n GLN 100 N 0.68 -1.10 0.00 0.11 7.27 -1.26 -5.05 117.38 118.03 2qke n GLN 100 Ca 0.03 -0.28 0.00 0.00 0.07 0.00 0.00 57.00 56.83 2qke n GLN 100 Cb 0.37 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 30.88 2qke n GLN 100 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qke n ALA 101 N -4.35 0.00 -1.75 1.69 0.00 -1.26 -5.05 120.51 109.79 2qke n ALA 101 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2qke n ALA 101 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2qke n ALA 101 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qke n GLU 102 N 0.00 -0.39 -0.37 0.00 4.07 -1.26 -4.77 120.64 117.92 2qke n GLU 102 Ca 0.00 0.77 -0.18 0.00 -0.06 0.00 0.00 57.16 57.69 2qke n GLU 102 Cb 0.00 -2.25 -0.04 0.00 -0.06 0.00 0.00 31.44 29.10 2qke n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2qke n ASP 103 N -0.58 0.22 -4.69 4.31 2.03 -1.26 -4.73 116.55 111.85 2qke n ASP 103 Ca 0.02 0.20 -0.41 0.00 0.52 0.00 0.00 54.79 55.12 2qke n ASP 103 Cb 0.16 -0.26 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 2qke n ASP 103 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2qke s ASP 104 N 1.75 6.98 -0.02 1.67 -4.77 -1.26 -4.86 116.67 116.16 2qke s ASP 104 Ca 0.35 1.20 0.20 0.00 -3.30 0.00 0.00 52.55 51.00 2qke s ASP 104 Cb -0.44 -2.44 0.61 0.00 -1.09 0.00 0.00 42.92 39.55 2qke s ASP 104 CO 0.19 -0.28 1.51 -0.11 0.70 0.00 0.00 175.17 177.18 2qke n LEU 105 N 4.58 3.75 0.00 2.11 0.00 -1.26 -4.84 117.00 121.33 2qke n LEU 105 Ca 0.02 -1.88 0.00 0.00 0.00 0.00 0.00 56.01 54.15 2qke n LEU 105 Cb 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.45 2qke n LEU 105 CO 0.48 0.86 0.00 0.61 0.00 0.00 0.00 177.39 179.34 2qke n GLY 106 N 1.46 0.83 3.93 -3.96 0.00 -1.26 -4.61 105.19 101.58 2qke n GLY 106 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2qke n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2qke n LEU 107 N 0.00 -0.06 0.00 0.99 -0.00 -1.26 -5.30 117.00 111.36 2qke n LEU 107 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 56.01 55.26 2qke n LEU 107 Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 2qke n LEU 107 CO 0.00 0.47 0.00 1.21 -0.00 0.00 0.00 177.39 179.07