#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 0.15 -0.11 1.61 0.13 -2.08 -3.48 132.00 128.23 2kwl h PRO 2 Ca 0.00 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2kwl h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2kwl h PRO 2 CO 0.00 0.60 -0.03 0.41 -0.23 0.00 0.00 178.00 178.75 2kwl n GLY 3 N 0.22 0.44 1.24 1.56 0.00 -1.26 -4.94 105.19 102.45 2kwl n GLY 3 Ca -0.07 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 2kwl n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kwl n SER 4 N 1.75 2.86 -2.21 1.61 3.41 -1.26 -5.01 113.62 114.76 2kwl n SER 4 Ca -0.02 -3.81 -0.09 0.00 -0.26 0.00 0.00 58.87 54.69 2kwl n SER 4 Cb 0.18 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 2kwl n SER 4 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2kwl n MET 5 N -1.07 0.38 -0.17 4.33 2.81 -1.26 -5.03 117.12 117.11 2kwl n MET 5 Ca 0.34 -1.73 0.06 0.00 -1.81 0.00 0.00 57.70 54.56 2kwl n MET 5 Cb 0.96 1.60 0.18 0.00 -0.71 0.00 0.00 33.22 35.25 2kwl n MET 5 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2kwl n ASP 6 N -1.92 1.90 -0.13 7.83 9.92 -1.26 -4.33 116.55 128.55 2kwl n ASP 6 Ca 0.01 -1.97 -0.04 0.00 -0.53 0.00 0.00 54.79 52.25 2kwl n ASP 6 Cb 0.35 -0.23 0.02 0.00 -0.64 0.00 0.00 41.12 40.62 2kwl n ASP 6 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 2kwl h ASN 7 N 2.11 -0.48 -0.41 -2.24 -1.24 -1.91 0.20 115.58 111.60 2kwl h ASN 7 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.15 2kwl h ASN 7 Cb 0.48 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2kwl h ASN 7 CO 0.00 -0.17 0.00 -0.90 -1.29 0.00 0.00 177.43 175.07 2kwl n ASP 8 N -5.34 3.22 -0.09 1.15 5.75 -1.26 -3.91 116.55 116.07 2kwl n ASP 8 Ca 0.03 -2.30 -0.10 0.00 -0.01 0.00 0.00 54.79 52.41 2kwl n ASP 8 Cb 0.25 -0.47 -0.12 0.00 -1.03 0.00 0.00 41.12 39.76 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2kwl n GLU 9 N 0.61 1.10 0.26 0.11 4.07 0.60 -3.93 120.64 123.46 2kwl n GLU 9 Ca 0.16 0.03 -0.15 0.00 -0.06 0.00 0.00 57.16 57.14 2kwl n GLU 9 Cb 0.62 -1.42 -0.08 0.00 -0.06 0.00 0.00 31.44 30.50 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2kwl h ILE 10 N 0.00 0.46 -0.26 6.31 2.04 -1.37 0.22 117.51 124.91 2kwl h ILE 10 Ca -0.45 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2kwl h ILE 10 Cb 1.93 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2kwl h ILE 10 CO -0.00 0.05 -0.10 2.19 0.00 0.00 0.00 178.15 180.29 2kwl h PHE 11 N -0.86 0.45 -0.10 1.37 -0.00 -1.82 -1.70 116.94 114.29 2kwl h PHE 11 Ca -0.07 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.97 57.81 2kwl h PHE 11 Cb 0.58 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.95 36.41 2kwl h PHE 11 CO -0.00 0.53 -0.08 1.03 -0.00 0.00 0.00 178.31 179.78 2kwl h SER 12 N 0.40 0.25 -0.64 -0.68 0.87 -1.66 -0.24 113.55 111.85 2kwl h SER 12 Ca 0.08 -0.46 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2kwl h SER 12 Cb 0.43 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 2kwl h SER 12 CO 0.02 0.66 0.31 0.50 -0.53 0.00 0.00 176.83 177.80 2kwl h LYS 13 N -0.15 0.96 -0.17 2.24 3.64 -0.42 0.77 116.57 123.43 2kwl h LYS 13 Ca 0.02 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2kwl h LYS 13 Cb 0.58 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2kwl h LYS 13 CO 0.02 0.75 -0.39 0.28 -2.27 0.00 0.00 179.45 177.84 2kwl h VAL 14 N 0.95 1.34 0.00 2.00 2.07 -1.28 -3.15 116.25 118.19 2kwl h VAL 14 Ca 0.23 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.03 2kwl h VAL 14 Cb 0.11 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kwl h VAL 14 CO -0.03 0.50 -0.36 -0.09 0.02 0.00 0.00 177.57 177.61 2kwl h ARG 15 N 0.22 0.00 -0.06 1.57 9.65 -0.79 -2.59 114.38 122.39 2kwl h ARG 15 Ca -0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2kwl h ARG 15 Cb 1.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2kwl h ARG 15 CO 0.09 0.36 0.08 1.03 2.80 0.00 0.00 179.97 184.32 2kwl h SER 16 N 0.00 0.00 0.06 -3.80 0.87 -0.80 0.52 113.55 110.40 2kwl h SER 16 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kwl h SER 16 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2kwl h SER 16 CO 0.05 0.00 -0.03 0.40 -0.53 0.00 0.00 176.83 176.72 2kwl h ILE 17 N 0.00 0.88 0.00 2.23 2.04 -1.55 -3.34 117.51 117.78 2kwl h ILE 17 Ca 0.03 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 2kwl h ILE 17 Cb 0.18 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2kwl h ILE 17 CO -0.00 0.28 -0.43 0.16 0.00 0.00 0.00 178.15 178.15 2kwl h ILE 18 N -0.96 1.23 -0.82 -0.67 3.07 -1.54 -2.92 117.51 114.90 2kwl h ILE 18 Ca -0.01 -1.52 0.24 0.00 1.55 0.00 0.00 64.86 65.12 2kwl h ILE 18 Cb 0.52 1.84 -0.03 0.00 -0.27 0.00 0.00 36.82 38.87 2kwl h ILE 18 CO 0.01 0.42 0.60 0.77 -1.05 0.00 0.00 178.15 178.91 2kwl h SER 19 N 0.00 0.00 -0.20 2.16 4.64 -0.07 0.39 113.55 120.47 2kwl h SER 19 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 2kwl h SER 19 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2kwl h SER 19 CO 0.06 0.00 -0.22 -0.08 -0.87 0.00 0.00 176.83 175.72 2kwl h GLU 20 N 0.00 0.65 0.00 4.77 4.57 -1.64 0.50 114.58 123.42 2kwl h GLU 20 Ca 0.39 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2kwl h GLU 20 Cb 1.59 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 2kwl h GLU 20 CO -0.00 0.82 -0.48 0.37 -1.18 0.00 0.00 179.01 178.53 2kwl h GLN 21 N 0.57 0.00 -0.10 1.92 5.75 -0.56 -3.37 115.11 119.33 2kwl h GLN 21 Ca 0.08 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2kwl h GLN 21 Cb 0.68 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2kwl h GLN 21 CO 0.05 0.43 -0.18 -0.07 -2.65 0.00 0.00 178.83 176.41 2kwl h LEU 22 N -1.00 0.16 1.78 -2.39 -0.00 -0.83 -3.46 115.31 109.57 2kwl h LEU 22 Ca -0.09 -0.03 -0.32 0.00 -0.00 0.00 0.00 57.88 57.44 2kwl h LEU 22 Cb 0.67 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.24 2kwl h LEU 22 CO -0.05 0.36 -0.37 -0.67 -0.00 0.00 0.00 178.44 177.70 2kwl n ASP 23 N -4.25 -4.80 -3.32 -0.43 2.03 0.17 -4.99 116.55 100.96 2kwl n ASP 23 Ca -0.01 0.12 -0.13 0.00 0.52 0.00 0.00 54.79 55.28 2kwl n ASP 23 Cb 0.29 -3.85 -0.01 0.00 -0.72 0.00 0.00 41.12 36.83 2kwl n ASP 23 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kwl n LYS 24 N -2.53 1.21 -4.06 -0.67 5.02 -1.24 -5.05 118.16 110.83 2kwl n LYS 24 Ca -0.18 -1.68 -0.33 0.00 -2.02 0.00 0.00 58.31 54.10 2kwl n LYS 24 Cb 0.60 0.27 -0.07 0.00 -0.02 0.00 0.00 35.03 35.82 2kwl n LYS 24 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2kwl s LYS 25 N -3.01 3.11 0.29 1.97 0.00 -1.26 -4.77 119.74 116.07 2kwl s LYS 25 Ca 0.10 -0.48 0.23 0.00 0.00 0.00 0.00 55.97 55.82 2kwl s LYS 25 Cb -0.01 -2.89 1.07 0.00 0.00 0.00 0.00 37.83 36.00 2kwl s LYS 25 CO 0.06 0.64 1.70 -0.85 0.00 0.00 0.00 175.35 176.91 2kwl n GLU 26 N 1.06 0.18 -0.01 1.78 0.28 -1.26 -1.80 120.64 120.87 2kwl n GLU 26 Ca -0.12 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 2kwl n GLU 26 Cb 0.53 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.48 2kwl n GLU 26 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kwl n ASP 27 N -2.27 0.16 -0.09 -1.84 8.00 -1.26 -3.52 116.55 115.73 2kwl n ASP 27 Ca 0.01 -2.00 0.09 0.00 0.71 0.00 0.00 54.79 53.60 2kwl n ASP 27 Cb 0.16 -0.06 0.50 0.00 -0.02 0.00 0.00 41.12 41.69 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl n GLU 28 N -0.42 1.11 -1.54 -1.24 -0.58 -0.75 -4.88 120.64 112.35 2kwl n GLU 28 Ca 0.00 -0.17 -0.55 0.00 -0.42 0.00 0.00 57.16 56.03 2kwl n GLU 28 Cb 0.04 -1.29 -0.08 0.00 -0.57 0.00 0.00 31.44 29.54 2kwl n GLU 28 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2kwl n ILE 29 N -0.60 0.23 -3.49 -3.67 2.08 -1.23 -4.86 119.36 107.81 2kwl n ILE 29 Ca 0.14 -0.14 -0.09 0.00 0.56 0.00 0.00 62.75 63.22 2kwl n ILE 29 Cb 0.10 -1.34 -0.02 0.00 -0.75 0.00 0.00 39.64 37.63 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 5.54 0.00 -1.10 1.39 -1.32 -1.26 -4.97 115.64 113.91 2kwl s THR 30 Ca 1.06 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.83 2kwl s THR 30 Cb -1.02 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 69.27 2kwl s THR 30 CO 0.58 0.00 1.95 0.35 -2.21 0.00 0.00 174.62 175.29 2kwl n THR 31 N -0.21 0.02 -0.97 5.08 -2.24 -1.26 -3.09 114.28 111.61 2kwl n THR 31 Ca -0.10 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2kwl n THR 31 Cb 0.62 -0.51 0.36 0.00 -2.10 0.00 0.00 70.33 68.70 2kwl n THR 31 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2kwl n ASP 32 N -1.45 5.26 -0.01 3.42 2.03 -1.26 -4.44 116.55 120.11 2kwl n ASP 32 Ca 0.09 -3.06 -0.04 0.00 0.52 0.00 0.00 54.79 52.30 2kwl n ASP 32 Cb 0.31 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kwl n SER 33 N 0.23 0.61 -1.47 1.67 7.64 -1.18 -4.99 113.62 116.14 2kwl n SER 33 Ca 0.32 0.09 0.19 0.00 1.01 0.00 0.00 58.87 60.49 2kwl n SER 33 Cb 1.25 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 64.17 2kwl n SER 33 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kwl n ARG 34 N -3.34 -3.07 0.27 1.43 1.74 -1.26 -1.27 116.66 111.18 2kwl n ARG 34 Ca -0.07 2.17 0.12 0.00 -0.77 0.00 0.00 57.85 59.30 2kwl n ARG 34 Cb 0.41 -3.70 0.78 0.00 -1.02 0.00 0.00 32.46 28.93 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 -1.38 0.00 -0.02 -1.55 0.04 -1.90 0.27 116.94 112.40 2kwl h PHE 35 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2kwl h PHE 35 Cb 1.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 2kwl h PHE 35 CO -1.69 0.00 0.01 -0.39 -0.60 0.00 0.00 178.31 175.64 2kwl h VAL 36 N 0.00 1.08 0.00 -0.55 -1.51 -1.68 0.20 116.25 113.78 2kwl h VAL 36 Ca 0.01 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.22 2kwl h VAL 36 Cb 0.02 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2kwl h VAL 36 CO -0.00 0.06 -0.34 -0.08 -1.23 0.00 0.00 177.57 175.98 2kwl h GLU 37 N -0.07 0.00 0.65 5.19 4.22 -0.68 -3.41 114.58 120.49 2kwl h GLU 37 Ca 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 2kwl h GLU 37 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2kwl h GLU 37 CO -0.00 0.26 -0.43 0.22 -2.18 0.00 0.00 179.01 176.88 2kwl h ASP 38 N -1.00 -1.11 -3.24 1.04 1.82 -0.55 -3.44 116.42 109.95 2kwl h ASP 38 Ca -0.05 0.07 -0.46 0.00 -0.39 0.00 0.00 57.03 56.20 2kwl h ASP 38 Cb 0.48 0.33 0.10 0.00 0.68 0.00 0.00 39.33 40.92 2kwl h ASP 38 CO -0.03 -0.64 0.23 -0.76 -1.61 0.00 0.00 179.24 176.42 2kwl s LEU 39 N -9.22 2.87 -0.46 2.28 1.43 0.06 -4.96 118.68 110.68 2kwl s LEU 39 Ca -0.16 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2kwl s LEU 39 Cb 0.03 -2.52 0.49 0.00 0.03 0.00 0.00 46.19 44.22 2kwl s LEU 39 CO 0.52 -1.95 1.66 -0.46 0.23 0.00 0.00 176.35 176.34 2kwl n ASN 40 N -3.08 5.41 -3.86 2.29 0.23 -1.24 -4.33 115.26 110.67 2kwl n ASN 40 Ca 0.12 -3.76 -0.08 0.00 -0.53 0.00 0.00 54.58 50.32 2kwl n ASN 40 Cb 0.60 -0.70 -0.03 0.00 -2.08 0.00 0.00 39.78 37.56 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kwl s ALA 41 N -3.59 -0.85 0.33 -2.53 0.00 -1.25 -5.09 121.76 108.77 2kwl s ALA 41 Ca 0.56 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2kwl s ALA 41 Cb 0.46 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.46 2kwl s ALA 41 CO 0.02 -0.92 0.54 -0.51 0.00 0.00 0.00 175.76 174.90 2kwl s ASP 42 N -2.93 6.33 0.59 0.00 1.01 -1.26 -3.57 116.67 116.83 2kwl s ASP 42 Ca 0.14 0.50 0.29 0.00 0.71 0.00 0.00 52.55 54.19 2kwl s ASP 42 Cb -0.03 -2.06 1.45 0.00 1.01 0.00 0.00 42.92 43.29 2kwl s ASP 42 CO 0.05 -0.27 1.86 0.77 0.21 0.00 0.00 175.17 177.79 2kwl h SER 43 N 0.99 0.00 -0.47 0.27 4.64 -1.97 -0.81 113.55 116.20 2kwl h SER 43 Ca -0.49 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.63 0.00 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.52 2kwl h LEU 44 N 0.00 -0.20 0.00 5.97 3.38 -2.01 0.31 115.31 122.76 2kwl h LEU 44 Ca 0.25 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 2kwl h LEU 44 Cb 1.34 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 2kwl h LEU 44 CO -0.00 -0.06 -0.74 -0.78 0.09 0.00 0.00 178.44 176.94 2kwl h ASP 45 N 0.11 0.00 0.62 -0.43 3.58 -1.55 -3.23 116.42 115.53 2kwl h ASP 45 Ca 0.24 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.61 2kwl h ASP 45 Cb 0.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2kwl h ASP 45 CO -0.39 0.73 -0.37 0.40 -2.88 0.00 0.00 179.24 176.72 2kwl h ILE 46 N 0.00 1.02 -0.27 2.25 1.08 -0.90 -3.07 117.51 117.62 2kwl h ILE 46 Ca -0.01 -1.41 0.07 0.00 -0.39 0.00 0.00 64.86 63.12 2kwl h ILE 46 Cb 1.56 1.82 -0.07 0.00 -3.07 0.00 0.00 36.82 37.06 2kwl h ILE 46 CO 0.09 0.37 -0.21 0.22 -0.69 0.00 0.00 178.15 177.93 2kwl h TYR 47 N 0.00 -0.56 -0.11 1.37 5.03 -0.46 -0.97 116.97 121.27 2kwl h TYR 47 Ca -0.00 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 2kwl h TYR 47 Cb 0.79 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.34 2kwl h TYR 47 CO 0.00 -0.29 -0.50 0.93 -1.32 0.00 0.00 178.16 176.98 2kwl h GLU 48 N -0.20 0.29 0.55 1.82 5.08 -1.74 -0.90 114.58 119.47 2kwl h GLU 48 Ca 0.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kwl h GLU 48 Cb 0.43 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2kwl h GLU 48 CO -0.39 0.72 -0.48 1.25 -1.00 0.00 0.00 179.01 179.11 2kwl h LEU 49 N 0.23 -1.31 -0.51 1.33 5.85 -1.15 -0.89 115.31 118.87 2kwl h LEU 49 Ca 0.01 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 2kwl h LEU 49 Cb 0.96 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2kwl h LEU 49 CO 0.08 -0.66 -0.39 0.17 -0.34 0.00 0.00 178.44 177.30 2kwl h LEU 50 N -1.01 0.84 -0.61 2.25 8.10 -1.28 -1.78 115.31 121.82 2kwl h LEU 50 Ca -0.07 -0.38 0.12 0.00 0.11 0.00 0.00 57.88 57.66 2kwl h LEU 50 Cb 0.86 -0.24 -0.09 0.00 -0.44 0.00 0.00 40.66 40.75 2kwl h LEU 50 CO -0.03 1.13 0.11 0.22 -4.11 0.00 0.00 178.44 175.76 2kwl h TYR 51 N 0.65 0.16 0.00 0.17 3.20 -1.01 0.15 116.97 120.28 2kwl h TYR 51 Ca 0.05 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.80 2kwl h TYR 51 Cb 0.95 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2kwl h TYR 51 CO 0.05 -0.06 -0.77 -0.07 -1.64 0.00 0.00 178.16 175.68 2kwl h LEU 52 N 0.23 0.00 -0.22 2.82 4.07 -1.13 -3.18 115.31 117.90 2kwl h LEU 52 Ca 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.26 2kwl h LEU 52 Cb 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2kwl h LEU 52 CO -0.43 0.77 0.06 0.25 -1.08 0.00 0.00 178.44 178.00 2kwl h LEU 53 N 0.00 0.33 -1.54 1.67 5.85 -0.17 -2.66 115.31 118.79 2kwl h LEU 53 Ca -0.01 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2kwl h LEU 53 Cb 1.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2kwl h LEU 53 CO 0.10 0.47 -0.18 1.05 -0.34 0.00 0.00 178.44 179.54 2kwl h GLU 54 N 0.17 0.07 -0.48 1.25 4.11 -0.87 -2.43 114.58 116.40 2kwl h GLU 54 Ca 0.07 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.41 2kwl h GLU 54 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2kwl h GLU 54 CO 0.00 0.25 -0.01 1.49 0.07 0.00 0.00 179.01 180.81 2kwl h GLU 55 N 0.06 0.81 0.00 1.06 4.81 -1.47 0.29 114.58 120.15 2kwl h GLU 55 Ca 0.01 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2kwl h GLU 55 Cb 0.36 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2kwl h GLU 55 CO 0.03 0.83 -0.01 0.00 -0.73 0.00 0.00 179.01 179.12 2kwl h ALA 56 N 1.23 1.01 -0.01 2.92 0.00 -1.11 -2.41 119.26 120.90 2kwl h ALA 56 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kwl h ALA 56 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kwl h ALA 56 CO 0.02 0.01 -0.34 1.19 0.00 0.00 0.00 179.25 180.14 2kwl n PHE 57 N -3.12 0.00 -2.97 0.00 3.72 -0.82 -5.04 117.46 109.23 2kwl n PHE 57 Ca -0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 2kwl n PHE 57 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 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 -0.44 -7.83 -3.60 4.37 8.00 0.95 -5.06 116.55 112.95 2kwl n ASP 58 Ca 0.05 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 2kwl n ASP 58 Cb 0.25 -5.32 -0.06 0.00 -0.02 0.00 0.00 41.12 35.97 2kwl n ASP 58 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kwl s ASP 59 N -2.85 -0.53 0.02 -2.24 1.01 -0.88 -5.02 116.67 106.19 2kwl s ASP 59 Ca 0.09 0.84 -0.30 0.00 0.71 0.00 0.00 52.55 53.89 2kwl s ASP 59 Cb -0.03 0.80 -0.04 0.00 1.01 0.00 0.00 42.92 44.66 2kwl s ASP 59 CO 0.75 -0.30 0.99 -0.54 0.21 0.00 0.00 175.17 176.28 2kwl s LYS 60 N -0.32 4.58 -0.06 8.23 1.02 -1.26 -4.51 119.74 127.42 2kwl s LYS 60 Ca -0.01 1.44 -0.13 0.00 0.02 0.00 0.00 55.97 57.29 2kwl s LYS 60 Cb -0.03 -3.44 -0.08 0.00 -0.52 0.00 0.00 37.83 33.76 2kwl s LYS 60 CO 0.00 -0.01 0.54 0.82 -0.92 0.00 0.00 175.35 175.78 2kwl h ILE 61 N 4.64 0.21 0.00 2.17 1.08 -1.95 0.32 117.51 123.98 2kwl h ILE 61 Ca -0.41 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2kwl h ILE 61 Cb 1.22 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2kwl h ILE 61 CO 0.75 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.45 2kwl n PRO 62 N -5.00 0.27 -0.01 2.37 -0.04 -1.26 0.30 135.00 131.64 2kwl n PRO 62 Ca -0.06 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.49 2kwl n PRO 62 Cb 0.18 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.22 0.14 0.06 0.54 0.00 -1.23 -4.44 120.64 114.48 2kwl n GLU 63 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 57.16 57.26 2kwl n GLU 63 Cb 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 31.44 30.90 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 -0.26 -0.19 -0.04 4.31 -1.24 -0.49 -3.29 115.58 114.38 2kwl h ASN 64 Ca 0.00 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.03 2kwl h ASN 64 Cb 0.26 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.35 2kwl h ASN 64 CO 0.00 0.14 0.08 -0.33 -1.29 0.00 0.00 177.43 176.02 2kwl h GLU 65 N -0.76 0.00 0.00 6.67 5.08 -0.75 0.80 114.58 125.61 2kwl h GLU 65 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kwl h GLU 65 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kwl h GLU 65 CO 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 2kwl n ALA 66 N -2.21 1.53 0.23 3.43 0.00 0.15 -2.32 120.51 121.32 2kwl n ALA 66 Ca -0.02 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2kwl n ALA 66 Cb 0.16 -1.24 0.64 0.00 0.00 0.00 0.00 19.45 19.01 2kwl n ALA 66 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2kwl h ASN 67 N 0.00 0.01 -0.22 0.00 -0.00 -0.93 -3.28 115.58 111.16 2kwl h ASN 67 Ca 0.00 -0.00 -0.22 0.00 -0.00 0.00 0.00 56.30 56.08 2kwl h ASN 67 Cb 0.23 -0.00 -0.23 0.00 -0.00 0.00 0.00 38.32 38.31 2kwl h ASN 67 CO 0.00 0.01 -0.59 -0.62 -0.00 0.00 0.00 177.43 176.23 2kwl n GLU 68 N -4.53 1.36 -3.87 4.14 -0.58 -1.07 -5.13 120.64 110.97 2kwl n GLU 68 Ca -0.02 -2.11 -0.33 0.00 -0.42 0.00 0.00 57.16 54.28 2kwl n GLU 68 Cb 0.13 -0.33 -0.05 0.00 -0.57 0.00 0.00 31.44 30.63 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2kwl s PHE 69 N -1.07 3.54 0.42 -0.32 5.36 -0.98 -4.88 117.98 120.06 2kwl s PHE 69 Ca 0.19 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.54 2kwl s PHE 69 Cb 0.41 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 2kwl s PHE 69 CO -0.08 0.61 0.00 -1.91 -1.46 0.00 0.00 175.22 172.38 2kwl n GLU 70 N 0.75 0.00 -3.73 10.12 4.07 -1.26 -4.99 120.64 125.60 2kwl n GLU 70 Ca -0.09 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.86 2kwl n GLU 70 Cb 0.52 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.85 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 -3.35 0.00 -0.32 6.31 -2.24 -1.26 -5.03 114.28 108.39 2kwl n THR 71 Ca 0.00 -1.83 0.10 0.00 -2.27 0.00 0.00 64.05 60.04 2kwl n THR 71 Cb 0.00 0.96 0.26 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.85 0.72 -1.01 2.28 2.07 -1.91 -0.56 116.25 119.70 2kwl h VAL 72 Ca -0.20 -0.24 0.23 0.00 0.82 0.00 0.00 66.70 67.32 2kwl h VAL 72 Cb 0.97 -0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 2kwl h VAL 72 CO 0.28 0.13 0.61 1.23 0.02 0.00 0.00 177.57 179.83 2kwl h GLY 73 N 0.69 1.83 1.04 2.17 0.00 -1.94 0.11 103.07 106.97 2kwl h GLY 73 Ca 0.51 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 2kwl h GLY 73 CO -0.37 -0.18 0.04 -0.55 0.00 0.00 0.00 176.54 175.47 2kwl h ASP 74 N 0.62 0.96 -0.72 0.19 5.19 -1.44 -2.87 116.42 118.35 2kwl h ASP 74 Ca 0.62 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 56.70 2kwl h ASP 74 Cb 1.15 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 2kwl h ASP 74 CO -0.44 1.01 0.26 0.58 -3.12 0.00 0.00 179.24 177.53 2kwl h VAL 75 N 0.87 1.25 0.29 -1.35 2.07 -0.78 0.93 116.25 119.55 2kwl h VAL 75 Ca 0.17 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2kwl h VAL 75 Cb 0.49 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2kwl h VAL 75 CO 0.02 0.33 -0.30 0.58 0.02 0.00 0.00 177.57 178.22 2kwl h VAL 76 N 1.04 0.37 0.00 2.57 2.07 -1.07 -0.22 116.25 121.01 2kwl h VAL 76 Ca 0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 2kwl h VAL 76 Cb 0.26 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2kwl h VAL 76 CO -0.01 0.00 -0.10 -0.55 0.02 0.00 0.00 177.57 176.92 2kwl h ASN 77 N -0.62 0.00 0.52 0.57 7.08 -1.45 -2.48 115.58 119.19 2kwl h ASN 77 Ca -0.01 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.18 2kwl h ASN 77 Cb 0.57 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.82 2kwl h ASN 77 CO -0.06 0.10 -0.25 -0.26 -2.08 0.00 0.00 177.43 174.88 2kwl h PHE 78 N 0.00 -0.65 0.00 4.14 -1.00 -0.07 -3.05 116.94 116.31 2kwl h PHE 78 Ca -0.00 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2kwl h PHE 78 Cb 0.62 0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.39 2kwl h PHE 78 CO 0.00 -0.40 -0.08 0.82 -1.61 0.00 0.00 178.31 177.03 2kwl h ILE 79 N -1.13 0.58 0.26 -0.55 2.04 -1.11 -0.44 117.51 117.17 2kwl h ILE 79 Ca -0.07 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2kwl h ILE 79 Cb 0.54 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2kwl h ILE 79 CO 0.12 0.08 -0.15 0.11 0.00 0.00 0.00 178.15 178.31 2kwl h LYS 80 N 0.00 -0.38 0.00 2.37 1.57 -1.44 0.78 116.57 119.47 2kwl h LYS 80 Ca -0.00 0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 2kwl h LYS 80 Cb 0.22 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2kwl h LYS 80 CO 0.01 -0.25 -0.97 1.57 -0.57 0.00 0.00 179.45 179.24 2kwl h LYS 81 N -0.39 0.00 -0.47 3.15 2.10 -1.39 0.13 116.57 119.69 2kwl h LYS 81 Ca -0.03 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 2kwl h LYS 81 Cb 0.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2kwl h LYS 81 CO 0.03 0.97 0.15 0.00 -2.00 0.00 0.00 179.45 178.60 2kwl h ARG 82 N 0.00 0.73 0.06 0.07 3.08 -0.94 -3.30 114.38 114.08 2kwl h ARG 82 Ca -0.01 -0.16 -0.28 0.00 0.07 0.00 0.00 59.98 59.60 2kwl h ARG 82 Cb 1.74 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.66 2kwl h ARG 82 CO 0.13 0.69 -1.54 -0.22 -1.07 0.00 0.00 179.97 177.96 2kwl h LYS 83 N 0.62 0.12 0.00 0.04 3.11 -0.92 -3.50 116.57 116.04 2kwl h LYS 83 Ca 0.15 -0.21 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2kwl h LYS 83 Cb 0.27 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2kwl h LYS 83 CO -0.00 1.10 0.00 0.41 -2.81 0.00 0.00 179.45 178.15