#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl h PRO 2 N 0.00 0.67 0.00 1.61 0.13 -2.05 -3.48 132.00 128.89 2kwl h PRO 2 Ca 0.00 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kwl h PRO 2 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2kwl h PRO 2 CO 0.00 0.96 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 2kwl n GLY 3 N 0.16 2.67 2.60 1.56 0.00 -1.26 -4.99 105.19 105.93 2kwl n GLY 3 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2kwl n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kwl n SER 4 N 0.00 7.38 -3.77 1.61 7.64 -1.26 -4.84 113.62 120.38 2kwl n SER 4 Ca 0.00 -3.28 -0.13 0.00 1.01 0.00 0.00 58.87 56.47 2kwl n SER 4 Cb 0.00 -1.33 -0.12 0.00 -1.01 0.00 0.00 64.21 61.76 2kwl n SER 4 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kwl s MET 5 N -1.80 0.30 0.26 1.43 -1.94 -1.26 -5.04 119.30 111.25 2kwl s MET 5 Ca 0.47 0.41 -0.04 0.00 -1.71 0.00 0.00 55.69 54.82 2kwl s MET 5 Cb 0.16 0.11 0.33 0.00 2.01 0.00 0.00 34.83 37.44 2kwl s MET 5 CO -0.08 -0.06 1.90 -0.44 -0.01 0.00 0.00 175.02 176.33 2kwl h ASP 6 N 5.99 1.07 -0.44 3.03 3.32 -1.96 -1.66 116.42 125.76 2kwl h ASP 6 Ca -0.28 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.84 2kwl h ASP 6 Cb 1.19 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 2kwl h ASP 6 CO 0.34 0.73 -0.01 0.78 -1.72 0.00 0.00 179.24 179.36 2kwl h ASN 7 N 1.24 -0.21 -0.01 6.45 2.35 -1.96 0.36 115.58 123.80 2kwl h ASN 7 Ca 0.40 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2kwl h ASN 7 Cb 0.02 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2kwl h ASN 7 CO -0.13 -0.07 0.00 -0.67 -1.65 0.00 0.00 177.43 174.91 2kwl n ASP 8 N -5.22 0.25 -0.00 5.81 2.03 -0.95 -3.05 116.55 115.42 2kwl n ASP 8 Ca 0.04 -1.14 0.08 0.00 0.52 0.00 0.00 54.79 54.30 2kwl n ASP 8 Cb 0.24 -0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.52 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2kwl n GLU 9 N -0.78 0.97 -0.03 -0.67 2.13 0.97 -4.51 120.64 118.73 2kwl n GLU 9 Ca 0.22 -0.07 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 2kwl n GLU 9 Cb 0.14 -1.36 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2kwl h ILE 10 N 0.00 0.29 -0.19 6.31 2.04 -0.68 0.30 117.51 125.58 2kwl h ILE 10 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2kwl h ILE 10 Cb 0.59 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2kwl h ILE 10 CO 0.00 0.00 -0.01 2.19 0.00 0.00 0.00 178.15 180.33 2kwl h PHE 11 N -0.35 0.28 -0.32 1.37 -0.00 -1.80 -1.60 116.94 114.53 2kwl h PHE 11 Ca 0.12 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.97 2kwl h PHE 11 Cb 0.53 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 36.38 2kwl h PHE 11 CO -0.43 0.31 -0.18 0.77 -0.00 0.00 0.00 178.31 178.78 2kwl h SER 12 N 0.28 0.70 0.09 -0.68 0.02 -1.30 0.01 113.55 112.68 2kwl h SER 12 Ca 0.07 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2kwl h SER 12 Cb 0.21 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2kwl h SER 12 CO 0.01 0.97 -0.05 0.50 -1.14 0.00 0.00 176.83 177.12 2kwl h LYS 13 N 0.44 -0.12 -0.28 3.45 3.64 -0.10 -1.14 116.57 122.46 2kwl h LYS 13 Ca 0.07 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2kwl h LYS 13 Cb 0.72 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2kwl h LYS 13 CO 0.05 0.17 0.01 -0.24 -2.27 0.00 0.00 179.45 177.17 2kwl h VAL 14 N -0.42 1.17 -0.23 2.00 3.04 -1.35 -2.70 116.25 117.77 2kwl h VAL 14 Ca -0.01 -0.66 -0.06 0.00 -1.01 0.00 0.00 66.70 64.95 2kwl h VAL 14 Cb 0.35 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2kwl h VAL 14 CO 0.02 0.23 -0.10 -0.09 -1.01 0.00 0.00 177.57 176.61 2kwl h ARG 15 N 0.42 0.48 0.00 4.17 9.65 -0.87 -2.79 114.38 125.43 2kwl h ARG 15 Ca 0.09 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 2kwl h ARG 15 Cb 0.27 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2kwl h ARG 15 CO 0.01 0.74 -0.03 1.03 2.80 0.00 0.00 179.97 184.52 2kwl h SER 16 N 0.19 0.00 0.13 -3.80 0.87 -0.94 0.43 113.55 110.44 2kwl h SER 16 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2kwl h SER 16 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2kwl h SER 16 CO 0.03 0.03 -0.06 0.40 -0.53 0.00 0.00 176.83 176.70 2kwl h ILE 17 N 0.00 0.94 -0.02 2.23 2.04 -1.23 -3.32 117.51 118.16 2kwl h ILE 17 Ca -0.00 -1.21 -0.15 0.00 1.00 0.00 0.00 64.86 64.49 2kwl h ILE 17 Cb 0.09 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2kwl h ILE 17 CO 0.00 0.25 -0.70 0.16 0.00 0.00 0.00 178.15 177.86 2kwl h ILE 18 N -0.84 1.47 -0.94 -0.67 3.07 -1.27 -3.12 117.51 115.20 2kwl h ILE 18 Ca -0.02 -2.30 0.27 0.00 1.55 0.00 0.00 64.86 64.36 2kwl h ILE 18 Cb 0.54 2.23 -0.04 0.00 -0.27 0.00 0.00 36.82 39.29 2kwl h ILE 18 CO 0.03 0.66 0.73 0.77 -1.05 0.00 0.00 178.15 179.29 2kwl h SER 19 N 0.06 0.00 0.40 2.16 4.64 -0.24 0.52 113.55 121.09 2kwl h SER 19 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2kwl h SER 19 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2kwl h SER 19 CO 0.10 0.00 -0.33 -0.08 -0.87 0.00 0.00 176.83 175.65 2kwl h GLU 20 N 0.00 -0.70 0.04 4.77 4.81 -1.63 0.52 114.58 122.38 2kwl h GLU 20 Ca 0.45 0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.55 2kwl h GLU 20 Cb 1.90 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.43 2kwl h GLU 20 CO -0.00 -0.47 -0.90 0.37 -0.73 0.00 0.00 179.01 177.28 2kwl h GLN 21 N -0.73 0.09 0.00 1.92 5.75 -1.39 -3.32 115.11 117.43 2kwl h GLN 21 Ca -0.03 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.31 2kwl h GLN 21 Cb 0.63 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.24 2kwl h GLN 21 CO -0.02 1.08 -0.01 -0.07 -2.65 0.00 0.00 178.83 177.16 2kwl h LEU 22 N -0.75 0.00 2.39 -2.39 4.07 -0.13 -3.45 115.31 115.06 2kwl h LEU 22 Ca -0.22 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.51 2kwl h LEU 22 Cb 1.37 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 2kwl h LEU 22 CO -0.04 0.01 -0.31 -0.67 -1.08 0.00 0.00 178.44 176.35 2kwl n ASP 23 N -3.27 -3.66 -4.88 -0.43 2.03 0.18 -4.94 116.55 101.58 2kwl n ASP 23 Ca -0.03 0.18 -0.21 0.00 0.52 0.00 0.00 54.79 55.26 2kwl n ASP 23 Cb 0.11 -3.12 -0.03 0.00 -0.72 0.00 0.00 41.12 37.37 2kwl n ASP 23 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kwl s LYS 24 N -5.09 2.74 0.19 -0.67 -0.14 -1.24 -5.05 119.74 110.48 2kwl s LYS 24 Ca 0.03 -1.31 0.05 0.00 -1.36 0.00 0.00 55.97 53.37 2kwl s LYS 24 Cb -0.01 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 2kwl s LYS 24 CO 0.03 0.00 0.24 0.15 -0.76 0.00 0.00 175.35 175.02 2kwl s LYS 25 N -4.07 3.18 0.38 1.68 3.01 -1.26 -4.65 119.74 118.01 2kwl s LYS 25 Ca 0.44 -0.80 0.27 0.00 -1.01 0.00 0.00 55.97 54.87 2kwl s LYS 25 Cb -0.06 -2.78 1.29 0.00 -1.01 0.00 0.00 37.83 35.27 2kwl s LYS 25 CO 0.28 0.47 1.82 1.05 0.51 0.00 0.00 175.35 179.48 2kwl h GLU 26 N 1.88 0.00 -0.05 1.68 -0.00 -1.98 -1.46 114.58 114.65 2kwl h GLU 26 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2kwl h GLU 26 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2kwl h GLU 26 CO 0.64 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 176.18 2kwl n ASP 27 N -2.48 0.34 0.10 3.06 -0.08 -1.26 -3.49 116.55 112.74 2kwl n ASP 27 Ca 0.00 -1.78 0.12 0.00 -1.51 0.00 0.00 54.79 51.63 2kwl n ASP 27 Cb 0.16 -0.03 0.45 0.00 2.34 0.00 0.00 41.12 44.03 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kwl n GLU 28 N -0.42 0.21 -1.53 -0.67 4.71 -0.55 -4.76 120.64 117.62 2kwl n GLU 28 Ca 0.07 0.29 -0.43 0.00 -0.01 0.00 0.00 57.16 57.09 2kwl n GLU 28 Cb 0.08 -1.80 -0.05 0.00 -1.01 0.00 0.00 31.44 28.66 2kwl n GLU 28 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2kwl n ILE 29 N -2.17 0.13 -3.57 -3.67 2.08 -1.23 -4.76 119.36 106.17 2kwl n ILE 29 Ca 0.04 -0.48 -0.07 0.00 0.56 0.00 0.00 62.75 62.80 2kwl n ILE 29 Cb 0.33 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 36.98 2kwl n ILE 29 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2kwl s THR 30 N 9.44 0.00 -1.12 1.39 -1.32 -1.26 -4.93 115.64 117.84 2kwl s THR 30 Ca 1.05 -0.18 0.29 0.00 -1.21 0.00 0.00 61.69 61.65 2kwl s THR 30 Cb -0.50 -1.28 0.32 0.00 -1.51 0.00 0.00 72.50 69.52 2kwl s THR 30 CO 0.37 0.00 1.96 0.35 -2.21 0.00 0.00 174.62 175.09 2kwl n THR 31 N -0.30 0.02 -1.17 5.08 -2.24 -1.26 -3.16 114.28 111.24 2kwl n THR 31 Ca -0.08 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 2kwl n THR 31 Cb 0.61 -0.51 0.25 0.00 -2.10 0.00 0.00 70.33 68.58 2kwl n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kwl n ASP 32 N -1.44 3.97 0.02 3.42 8.00 -1.26 -4.50 116.55 124.76 2kwl n ASP 32 Ca 0.09 -3.41 0.00 0.00 0.71 0.00 0.00 54.79 52.18 2kwl n ASP 32 Cb 0.31 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2kwl n SER 33 N -0.64 0.23 -1.36 -2.24 3.41 -1.19 -5.00 113.62 106.83 2kwl n SER 33 Ca 0.41 0.06 0.16 0.00 -0.26 0.00 0.00 58.87 59.24 2kwl n SER 33 Cb 1.32 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 65.18 2kwl n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kwl n ARG 34 N -3.06 -2.35 0.20 4.33 1.74 -1.25 -1.46 116.66 114.81 2kwl n ARG 34 Ca 0.00 1.55 0.04 0.00 -0.77 0.00 0.00 57.85 58.66 2kwl n ARG 34 Cb 0.28 -2.87 0.41 0.00 -1.02 0.00 0.00 32.46 29.27 2kwl n ARG 34 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2kwl h PHE 35 N -1.08 0.00 0.12 -1.55 0.04 -1.90 0.25 116.94 112.82 2kwl h PHE 35 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2kwl h PHE 35 Cb 1.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 2kwl h PHE 35 CO 0.00 0.30 -0.08 -0.39 -0.60 0.00 0.00 178.31 177.55 2kwl h VAL 36 N 0.00 0.83 0.00 -0.55 -1.51 -1.69 0.86 116.25 114.20 2kwl h VAL 36 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2kwl h VAL 36 Cb 0.55 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2kwl h VAL 36 CO 0.04 0.00 -0.34 -0.33 -1.23 0.00 0.00 177.57 175.71 2kwl h GLU 37 N -0.19 0.00 0.58 5.19 5.08 -1.14 -3.41 114.58 120.69 2kwl h GLU 37 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kwl h GLU 37 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kwl h GLU 37 CO 0.01 0.26 -0.46 0.22 -1.00 0.00 0.00 179.01 178.04 2kwl h ASP 38 N -1.00 -1.22 -2.68 1.42 3.58 -0.53 -3.44 116.42 112.54 2kwl h ASP 38 Ca -0.04 0.09 -0.46 0.00 0.42 0.00 0.00 57.03 57.03 2kwl h ASP 38 Cb 0.47 0.38 0.10 0.00 1.72 0.00 0.00 39.33 42.01 2kwl h ASP 38 CO -0.03 -0.65 0.19 -0.76 -2.88 0.00 0.00 179.24 175.11 2kwl s LEU 39 N -9.55 2.91 -0.38 2.28 1.43 0.30 -4.95 118.68 110.72 2kwl s LEU 39 Ca -0.17 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 2kwl s LEU 39 Cb 0.03 -2.10 0.50 0.00 0.03 0.00 0.00 46.19 44.65 2kwl s LEU 39 CO 0.55 -2.07 1.55 -3.20 0.23 0.00 0.00 176.35 173.40 2kwl n ASN 40 N -3.07 4.19 -3.76 2.29 5.15 -1.24 -4.34 115.26 114.47 2kwl n ASN 40 Ca 0.15 -3.77 -0.10 0.00 -0.60 0.00 0.00 54.58 50.26 2kwl n ASN 40 Cb 0.60 -0.65 -0.05 0.00 -0.53 0.00 0.00 39.78 39.16 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kwl s ALA 41 N -3.46 -0.69 0.40 5.20 0.00 -1.25 -5.09 121.76 116.87 2kwl s ALA 41 Ca 0.51 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 2kwl s ALA 41 Cb 0.43 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2kwl s ALA 41 CO 0.01 -0.71 0.66 -0.51 0.00 0.00 0.00 175.76 175.22 2kwl s ASP 42 N -2.87 6.33 0.57 0.00 1.01 -1.26 -3.65 116.67 116.79 2kwl s ASP 42 Ca 0.09 0.75 0.30 0.00 0.71 0.00 0.00 52.55 54.40 2kwl s ASP 42 Cb 0.01 -2.16 1.44 0.00 1.01 0.00 0.00 42.92 43.22 2kwl s ASP 42 CO -0.05 -0.40 1.84 0.77 0.21 0.00 0.00 175.17 177.54 2kwl h SER 43 N 0.74 0.00 -0.45 0.27 4.64 -1.97 -0.67 113.55 116.11 2kwl h SER 43 Ca -0.48 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.93 2kwl h SER 43 Cb 1.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 2kwl h SER 43 CO 0.62 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.46 2kwl h LEU 44 N 0.00 -0.30 0.00 5.97 3.38 -2.01 0.33 115.31 122.68 2kwl h LEU 44 Ca 0.32 0.12 -0.15 0.00 0.09 0.00 0.00 57.88 58.26 2kwl h LEU 44 Cb 1.53 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2kwl h LEU 44 CO -0.00 -0.10 -0.72 -0.78 0.09 0.00 0.00 178.44 176.92 2kwl h ASP 45 N 0.05 0.00 0.71 -0.43 3.58 -1.52 -3.22 116.42 115.59 2kwl h ASP 45 Ca 0.22 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 2kwl h ASP 45 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2kwl h ASP 45 CO -0.42 0.71 -0.31 0.40 -2.88 0.00 0.00 179.24 176.74 2kwl h ILE 46 N 0.00 0.84 -0.31 2.25 1.08 -0.83 -3.21 117.51 117.33 2kwl h ILE 46 Ca -0.01 -1.28 0.07 0.00 -0.39 0.00 0.00 64.86 63.25 2kwl h ILE 46 Cb 1.55 1.78 -0.08 0.00 -3.07 0.00 0.00 36.82 37.00 2kwl h ILE 46 CO 0.09 0.31 -0.28 0.22 -0.69 0.00 0.00 178.15 177.80 2kwl h TYR 47 N 0.00 -0.75 -0.46 1.37 5.03 -0.41 -0.75 116.97 121.01 2kwl h TYR 47 Ca -0.00 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.27 2kwl h TYR 47 Cb 0.75 0.38 -0.02 0.00 1.55 0.00 0.00 36.73 39.39 2kwl h TYR 47 CO 0.00 -0.35 -0.06 0.93 -1.32 0.00 0.00 178.16 177.36 2kwl h GLU 48 N -0.25 0.79 0.35 1.82 5.08 -1.76 0.64 114.58 121.25 2kwl h GLU 48 Ca 0.15 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2kwl h GLU 48 Cb 0.50 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2kwl h GLU 48 CO -0.45 0.83 -0.52 1.25 -1.00 0.00 0.00 179.01 179.12 2kwl h LEU 49 N 0.72 -1.47 -0.48 1.33 5.85 -1.21 0.12 115.31 120.18 2kwl h LEU 49 Ca 0.13 0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 2kwl h LEU 49 Cb 0.52 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2kwl h LEU 49 CO 0.03 -0.63 -0.40 0.17 -0.34 0.00 0.00 178.44 177.27 2kwl h LEU 50 N -0.91 0.87 -0.32 2.25 8.10 -1.22 -1.56 115.31 122.52 2kwl h LEU 50 Ca -0.04 -0.40 0.06 0.00 0.11 0.00 0.00 57.88 57.62 2kwl h LEU 50 Cb 0.83 -0.24 -0.06 0.00 -0.44 0.00 0.00 40.66 40.75 2kwl h LEU 50 CO -0.15 1.16 -0.07 0.22 -4.11 0.00 0.00 178.44 175.49 2kwl h TYR 51 N 0.66 -0.15 0.00 0.17 3.20 -0.61 0.19 116.97 120.43 2kwl h TYR 51 Ca 0.05 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2kwl h TYR 51 Cb 0.96 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2kwl h TYR 51 CO 0.05 -0.13 -0.53 -0.07 -1.64 0.00 0.00 178.16 175.84 2kwl h LEU 52 N 0.01 0.00 -0.08 2.82 4.07 -0.75 -3.01 115.31 118.38 2kwl h LEU 52 Ca 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 2kwl h LEU 52 Cb 0.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 2kwl h LEU 52 CO -0.32 0.53 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.49 2kwl h LEU 53 N 0.00 0.15 -1.56 1.67 4.07 -0.19 -2.97 115.31 116.48 2kwl h LEU 53 Ca -0.01 -0.37 -0.03 0.00 0.08 0.00 0.00 57.88 57.55 2kwl h LEU 53 Cb 1.14 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 2kwl h LEU 53 CO 0.07 0.48 -0.08 1.05 -1.08 0.00 0.00 178.44 178.88 2kwl h GLU 54 N -0.19 0.17 0.00 1.13 4.11 -0.72 -1.71 114.58 117.38 2kwl h GLU 54 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 2kwl h GLU 54 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kwl h GLU 54 CO 0.01 0.27 -0.19 1.49 0.07 0.00 0.00 179.01 180.66 2kwl h GLU 55 N 0.17 0.00 0.00 1.06 4.81 -1.39 -0.12 114.58 119.11 2kwl h GLU 55 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2kwl h GLU 55 Cb 0.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2kwl h GLU 55 CO 0.01 0.19 -0.02 0.00 -0.73 0.00 0.00 179.01 178.46 2kwl h ALA 56 N 1.81 0.99 -0.21 2.92 0.00 -1.16 -3.14 119.26 120.46 2kwl h ALA 56 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kwl h ALA 56 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kwl h ALA 56 CO 0.02 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.50 2kwl n PHE 57 N -3.11 0.27 -3.40 0.00 3.72 -0.67 -5.02 117.46 109.25 2kwl n PHE 57 Ca 0.03 -0.23 -0.12 0.00 -0.05 0.00 0.00 57.45 57.09 2kwl n PHE 57 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2kwl n PHE 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kwl n ASP 58 N 0.81 -6.43 -3.62 4.37 8.00 -0.14 -5.02 116.55 114.52 2kwl n ASP 58 Ca 0.11 -0.48 -0.11 0.00 0.71 0.00 0.00 54.79 55.02 2kwl n ASP 58 Cb 0.41 -3.61 -0.07 0.00 -0.02 0.00 0.00 41.12 37.83 2kwl n ASP 58 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kwl s ASP 59 N -2.98 -0.55 0.13 -2.24 1.47 -0.99 -5.05 116.67 106.46 2kwl s ASP 59 Ca 0.01 1.00 -0.30 0.00 1.18 0.00 0.00 52.55 54.43 2kwl s ASP 59 Cb -0.00 0.99 -0.06 0.00 -0.34 0.00 0.00 42.92 43.51 2kwl s ASP 59 CO 0.82 -0.23 1.00 -0.54 0.68 0.00 0.00 175.17 176.90 2kwl s LYS 60 N 0.05 4.66 -0.05 2.11 3.01 -1.26 -4.49 119.74 123.78 2kwl s LYS 60 Ca 0.01 1.53 -0.16 0.00 -1.01 0.00 0.00 55.97 56.34 2kwl s LYS 60 Cb -0.04 -3.35 -0.10 0.00 -1.01 0.00 0.00 37.83 33.33 2kwl s LYS 60 CO -0.02 0.16 0.66 0.82 0.51 0.00 0.00 175.35 177.48 2kwl h ILE 61 N 3.97 0.27 0.00 2.17 1.08 -1.95 0.29 117.51 123.35 2kwl h ILE 61 Ca -0.43 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 2kwl h ILE 61 Cb 1.21 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2kwl h ILE 61 CO 0.72 0.07 0.00 -0.81 -0.69 0.00 0.00 178.15 177.44 2kwl n PRO 62 N -5.04 0.28 -0.01 2.37 -0.04 -1.26 -0.07 135.00 131.23 2kwl n PRO 62 Ca -0.07 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2kwl n PRO 62 Cb 0.21 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 2kwl n PRO 62 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kwl n GLU 63 N -1.21 0.13 0.14 0.54 0.00 -1.22 -4.40 120.64 114.61 2kwl n GLU 63 Ca 0.08 0.05 -0.06 0.00 0.00 0.00 0.00 57.16 57.23 2kwl n GLU 63 Cb 0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 31.44 30.92 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2kwl h ASN 64 N -0.24 -0.35 -0.70 4.31 -1.24 -0.53 -3.29 115.58 113.54 2kwl h ASN 64 Ca 0.00 0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.10 2kwl h ASN 64 Cb 0.24 0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 2kwl h ASN 64 CO 0.00 0.00 0.46 -0.33 -1.29 0.00 0.00 177.43 176.28 2kwl h GLU 65 N -0.91 0.64 -0.21 6.67 3.07 -1.01 -0.18 114.58 122.66 2kwl h GLU 65 Ca -0.04 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 2kwl h GLU 65 Cb 0.31 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2kwl h GLU 65 CO 0.07 0.43 0.36 0.00 -1.40 0.00 0.00 179.01 178.47 2kwl h ALA 66 N 1.63 1.73 0.00 3.43 0.00 -0.57 0.31 119.26 125.80 2kwl h ALA 66 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kwl h ALA 66 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kwl h ALA 66 CO -0.11 -0.47 0.00 -2.95 0.00 0.00 0.00 179.25 175.72 2kwl h ASN 67 N 0.00 0.00 0.00 0.00 -0.00 -1.09 -3.23 115.58 111.27 2kwl h ASN 67 Ca 0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.25 2kwl h ASN 67 Cb 0.83 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.01 2kwl h ASN 67 CO -0.00 0.00 -0.25 1.21 -0.00 0.00 0.00 177.43 178.39 2kwl n GLU 68 N -2.52 1.02 -4.01 4.14 2.13 0.83 -5.14 120.64 117.09 2kwl n GLU 68 Ca -0.01 -1.07 -0.30 0.00 0.66 0.00 0.00 57.16 56.44 2kwl n GLU 68 Cb 0.10 0.41 -0.05 0.00 0.27 0.00 0.00 31.44 32.16 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2kwl s PHE 69 N 0.10 3.29 0.18 4.31 5.36 0.28 -4.88 117.98 126.62 2kwl s PHE 69 Ca 0.07 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2kwl s PHE 69 Cb 0.34 -1.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 2kwl s PHE 69 CO -0.10 0.54 0.00 -1.91 -1.46 0.00 0.00 175.22 172.29 2kwl n GLU 70 N 0.22 0.00 -3.55 10.12 4.07 -1.26 -4.94 120.64 125.30 2kwl n GLU 70 Ca -0.07 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.90 2kwl n GLU 70 Cb 0.52 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.86 2kwl n GLU 70 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2kwl n THR 71 N -2.87 0.00 -0.28 6.31 -2.24 -1.26 -5.03 114.28 108.91 2kwl n THR 71 Ca 0.00 -1.59 0.05 0.00 -2.27 0.00 0.00 64.05 60.25 2kwl n THR 71 Cb 0.00 0.89 0.20 0.00 -2.10 0.00 0.00 70.33 69.31 2kwl n THR 71 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kwl h VAL 72 N 1.80 0.74 -1.03 2.28 2.07 -1.91 -0.33 116.25 119.87 2kwl h VAL 72 Ca -0.20 -0.20 0.27 0.00 0.82 0.00 0.00 66.70 67.39 2kwl h VAL 72 Cb 0.92 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2kwl h VAL 72 CO 0.28 0.11 0.68 1.23 0.02 0.00 0.00 177.57 179.89 2kwl h GLY 73 N 0.59 0.95 0.97 2.17 0.00 -1.92 0.14 103.07 105.96 2kwl h GLY 73 Ca 0.43 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 2kwl h GLY 73 CO -0.35 -0.09 -0.15 -0.55 0.00 0.00 0.00 176.54 175.40 2kwl h ASP 74 N 0.32 0.75 -0.55 0.19 5.19 -1.39 -2.89 116.42 118.04 2kwl h ASP 74 Ca 0.57 -0.40 -0.06 0.00 -0.62 0.00 0.00 57.03 56.52 2kwl h ASP 74 Cb 1.57 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 2kwl h ASP 74 CO -0.23 0.98 0.10 0.58 -3.12 0.00 0.00 179.24 177.55 2kwl h VAL 75 N 0.52 1.25 0.09 -1.35 2.07 -0.76 -0.81 116.25 117.26 2kwl h VAL 75 Ca 0.08 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2kwl h VAL 75 Cb 0.68 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2kwl h VAL 75 CO 0.05 0.34 -0.29 0.58 0.02 0.00 0.00 177.57 178.27 2kwl h VAL 76 N 0.79 0.38 0.00 2.57 2.07 -1.15 0.17 116.25 121.08 2kwl h VAL 76 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2kwl h VAL 76 Cb 0.39 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2kwl h VAL 76 CO 0.01 0.00 -0.10 -0.55 0.02 0.00 0.00 177.57 176.95 2kwl h ASN 77 N -0.49 0.00 0.32 0.57 7.08 -1.48 -2.41 115.58 119.18 2kwl h ASN 77 Ca 0.04 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.24 2kwl h ASN 77 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 2kwl h ASN 77 CO -0.18 0.10 -0.16 -0.26 -2.08 0.00 0.00 177.43 174.85 2kwl h PHE 78 N 0.00 -0.40 0.00 4.14 -1.00 0.07 -3.09 116.94 116.66 2kwl h PHE 78 Ca -0.00 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2kwl h PHE 78 Cb 0.53 0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 2kwl h PHE 78 CO 0.00 -0.25 -0.00 0.82 -1.61 0.00 0.00 178.31 177.27 2kwl h ILE 79 N -1.02 0.18 0.21 -0.55 2.04 -0.74 0.01 117.51 117.64 2kwl h ILE 79 Ca -0.04 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2kwl h ILE 79 Cb 0.33 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2kwl h ILE 79 CO 0.07 0.00 -0.10 0.11 0.00 0.00 0.00 178.15 178.24 2kwl h LYS 80 N 0.00 -0.27 0.00 2.37 1.57 -1.46 -2.00 116.57 116.79 2kwl h LYS 80 Ca -0.00 0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2kwl h LYS 80 Cb 0.02 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2kwl h LYS 80 CO 0.00 0.03 -0.86 1.57 -0.57 0.00 0.00 179.45 179.62 2kwl h LYS 81 N -0.57 0.00 -0.43 3.15 2.10 -1.37 0.99 116.57 120.44 2kwl h LYS 81 Ca -0.03 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2kwl h LYS 81 Cb 0.42 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 2kwl h LYS 81 CO 0.05 0.86 0.24 0.00 -2.00 0.00 0.00 179.45 178.60 2kwl h ARG 82 N 0.00 0.59 0.07 0.07 3.08 -1.01 -3.16 114.38 114.03 2kwl h ARG 82 Ca -0.01 -0.07 -0.31 0.00 0.07 0.00 0.00 59.98 59.66 2kwl h ARG 82 Cb 1.53 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 2kwl h ARG 82 CO 0.11 0.47 -1.72 0.87 -1.07 0.00 0.00 179.97 178.63 2kwl h LYS 83 N 0.55 0.15 0.00 0.04 1.57 -1.41 -3.51 116.57 113.96 2kwl h LYS 83 Ca 0.15 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kwl h LYS 83 Cb 0.05 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2kwl h LYS 83 CO -0.02 0.89 0.00 0.41 -0.57 0.00 0.00 179.45 180.16