#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 0.78 0.00 1.61 0.13 -1.99 -3.47 132.00 129.06 2kwl h PRO 2 Ca 0.00 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 2kwl n GLY 3 N 0.08 2.42 3.56 1.56 0.00 -1.26 -5.07 105.19 106.48 2kwl n GLY 3 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2kwl n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwl s SER 4 N -1.22 3.02 0.48 1.61 1.04 -1.26 -5.12 113.70 112.25 2kwl s SER 4 Ca 0.00 -1.64 -0.23 0.00 0.48 0.00 0.00 55.95 54.56 2kwl s SER 4 Cb 0.00 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.48 2kwl s SER 4 CO 0.00 -0.88 1.22 1.15 0.98 0.00 0.00 173.24 175.71 2kwl n MET 5 N -0.96 1.64 -3.60 4.02 -0.00 -1.26 -4.89 117.12 112.08 2kwl n MET 5 Ca -0.08 0.59 -0.03 0.00 -0.00 0.00 0.00 57.70 58.18 2kwl n MET 5 Cb 0.66 -2.36 -0.02 0.00 -0.00 0.00 0.00 33.22 31.49 2kwl n MET 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2kwl s ASP 6 N -0.77 -0.12 0.23 3.17 2.15 -1.26 -4.97 116.67 115.11 2kwl s ASP 6 Ca 0.66 -0.03 -0.06 0.00 0.43 0.00 0.00 52.55 53.56 2kwl s ASP 6 Cb -0.47 0.14 0.35 0.00 -0.30 0.00 0.00 42.92 42.64 2kwl s ASP 6 CO 0.54 -0.23 1.80 -0.55 -0.17 0.00 0.00 175.17 176.55 2kwl h ASN 7 N 2.00 0.58 0.46 -0.34 -1.07 -1.88 0.35 115.58 115.68 2kwl h ASN 7 Ca -0.13 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.29 2kwl h ASN 7 Cb 1.17 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 2kwl h ASN 7 CO 0.24 0.34 0.00 -0.67 0.07 0.00 0.00 177.43 177.40 2kwl n ASP 8 N -4.79 0.00 -0.05 6.14 2.03 -1.26 -2.54 116.55 116.08 2kwl n ASP 8 Ca 0.12 0.15 0.01 0.00 0.52 0.00 0.00 54.79 55.59 2kwl n ASP 8 Cb 0.26 -0.35 -0.16 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.35 0.67 0.16 -0.67 4.07 0.10 -3.74 120.64 119.89 2kwl n GLU 9 Ca 0.08 -0.10 -0.12 0.00 -0.06 0.00 0.00 57.16 56.96 2kwl n GLU 9 Cb 0.18 -1.53 -0.07 0.00 -0.06 0.00 0.00 31.44 29.96 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 0.52 0.00 6.31 2.04 -0.74 0.23 117.51 125.88 2kwl h ILE 10 Ca -0.26 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 2kwl h ILE 10 Cb 1.60 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2kwl h ILE 10 CO 0.01 0.11 -0.32 2.19 0.00 0.00 0.00 178.15 180.14 2kwl h PHE 11 N -0.92 0.00 0.03 1.37 -0.00 -1.79 -1.79 116.94 113.85 2kwl h PHE 11 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.92 2kwl h PHE 11 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.48 2kwl h PHE 11 CO 0.03 0.32 -0.02 1.03 -0.00 0.00 0.00 178.31 179.67 2kwl h SER 12 N 0.00 -0.04 0.10 -0.68 0.87 -1.64 -2.24 113.55 109.93 2kwl h SER 12 Ca -0.00 -0.68 0.01 0.00 -1.23 0.00 0.00 61.79 59.89 2kwl h SER 12 Cb 0.61 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2kwl h SER 12 CO 0.04 0.72 -0.13 0.50 -0.53 0.00 0.00 176.83 177.43 2kwl h LYS 13 N -0.86 -0.27 -0.82 2.24 3.64 -0.50 0.62 116.57 120.62 2kwl h LYS 13 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2kwl h LYS 13 Cb 0.71 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 2kwl h LYS 13 CO 0.01 -0.18 0.53 0.28 -2.27 0.00 0.00 179.45 177.81 2kwl h VAL 14 N -0.28 1.22 0.00 2.00 2.07 -1.46 -1.67 116.25 118.13 2kwl h VAL 14 Ca 0.01 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 2kwl h VAL 14 Cb 0.28 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2kwl h VAL 14 CO -0.06 0.22 -0.42 -0.09 0.02 0.00 0.00 177.57 177.24 2kwl h ARG 15 N 1.12 0.00 0.00 1.57 1.12 -0.93 -2.63 114.38 114.63 2kwl h ARG 15 Ca 0.30 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.17 2kwl h ARG 15 Cb -0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.86 2kwl h ARG 15 CO -0.06 0.42 -0.01 0.77 -3.11 0.00 0.00 179.97 177.98 2kwl h SER 16 N 0.00 0.00 0.07 -3.80 0.02 0.11 0.49 113.55 110.44 2kwl h SER 16 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kwl h SER 16 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2kwl h SER 16 CO 0.05 0.01 -0.03 0.40 -1.14 0.00 0.00 176.83 176.12 2kwl h ILE 17 N 0.00 0.91 -0.05 3.27 5.03 -1.48 -3.11 117.51 122.09 2kwl h ILE 17 Ca -0.00 -1.48 -0.11 0.00 -0.12 0.00 0.00 64.86 63.15 2kwl h ILE 17 Cb 0.02 1.66 -0.01 0.00 -3.03 0.00 0.00 36.82 35.45 2kwl h ILE 17 CO 0.00 0.28 -0.49 0.16 -0.68 0.00 0.00 178.15 177.43 2kwl h ILE 18 N -0.95 1.35 0.00 -0.67 3.07 -1.54 -2.85 117.51 115.92 2kwl h ILE 18 Ca -0.01 -1.69 -0.04 0.00 1.55 0.00 0.00 64.86 64.67 2kwl h ILE 18 Cb 0.53 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.93 2kwl h ILE 18 CO 0.02 0.49 -0.19 0.77 -1.05 0.00 0.00 178.15 178.19 2kwl h SER 19 N 0.10 0.00 -0.58 2.16 4.64 -0.13 0.36 113.55 120.09 2kwl h SER 19 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2kwl h SER 19 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 2kwl h SER 19 CO 0.07 0.19 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.12 2kwl h GLU 20 N 0.00 1.05 0.00 4.77 4.57 -1.42 0.44 114.58 123.98 2kwl h GLU 20 Ca -0.00 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.77 2kwl h GLU 20 Cb 0.34 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2kwl h GLU 20 CO 0.03 1.04 -0.48 0.37 -1.18 0.00 0.00 179.01 178.79 2kwl h GLN 21 N 0.94 0.00 0.00 1.92 5.75 -1.51 -3.35 115.11 118.86 2kwl h GLN 21 Ca 0.16 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 2kwl h GLN 21 Cb 0.59 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 2kwl h GLN 21 CO 0.04 0.52 -0.12 -0.07 -2.65 0.00 0.00 178.83 176.54 2kwl h LEU 22 N -1.00 0.00 1.17 -2.39 4.07 -0.41 -3.46 115.31 113.29 2kwl h LEU 22 Ca -0.10 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.53 2kwl h LEU 22 Cb 0.73 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.37 2kwl h LEU 22 CO -0.06 0.12 -0.33 -0.67 -1.08 0.00 0.00 178.44 176.42 2kwl n ASP 23 N -3.78 -4.95 -4.58 -0.43 2.03 0.15 -4.99 116.55 100.01 2kwl n ASP 23 Ca -0.02 0.30 -0.20 0.00 0.52 0.00 0.00 54.79 55.39 2kwl n ASP 23 Cb 0.23 -3.94 0.09 0.00 -0.72 0.00 0.00 41.12 36.79 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 -2.54 0.22 -3.86 -0.67 4.76 -1.22 -5.03 118.16 109.82 2kwl n LYS 24 Ca -0.17 -2.74 -0.21 0.00 -2.87 0.00 0.00 58.31 52.31 2kwl n LYS 24 Cb 0.57 -0.46 -0.03 0.00 -1.84 0.00 0.00 35.03 33.27 2kwl n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kwl s LYS 25 N -4.77 3.04 0.33 1.97 3.01 -1.26 -4.76 119.74 117.31 2kwl s LYS 25 Ca 0.61 -1.03 0.25 0.00 -1.01 0.00 0.00 55.97 54.78 2kwl s LYS 25 Cb -0.04 -2.68 1.17 0.00 -1.01 0.00 0.00 37.83 35.27 2kwl s LYS 25 CO 0.40 0.26 1.75 1.05 0.51 0.00 0.00 175.35 179.31 2kwl h GLU 26 N 1.22 0.00 -0.09 1.68 9.09 -1.98 -1.78 114.58 122.73 2kwl h GLU 26 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 2kwl h GLU 26 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2kwl h GLU 26 CO 0.58 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 176.17 2kwl n ASP 27 N -2.36 0.20 0.22 3.06 -0.08 -1.26 -3.50 116.55 112.83 2kwl n ASP 27 Ca 0.00 -2.00 0.11 0.00 -1.51 0.00 0.00 54.79 51.39 2kwl n ASP 27 Cb 0.15 -0.05 0.37 0.00 2.34 0.00 0.00 41.12 43.93 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2kwl h GLU 28 N 0.15 0.00 -5.62 -0.67 4.81 -1.73 -3.44 114.58 108.08 2kwl h GLU 28 Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 2kwl h GLU 28 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2kwl h GLU 28 CO 0.00 0.14 1.56 -0.89 -0.73 0.00 0.00 179.01 179.09 2kwl n ILE 29 N -3.20 0.05 -3.61 2.32 2.08 -1.23 -4.84 119.36 110.94 2kwl n ILE 29 Ca 0.02 -0.28 -0.09 0.00 0.56 0.00 0.00 62.75 62.95 2kwl n ILE 29 Cb 0.47 -1.46 -0.02 0.00 -0.75 0.00 0.00 39.64 37.88 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 8.80 0.00 -1.16 1.39 -1.32 -1.26 -4.94 115.64 117.15 2kwl s THR 30 Ca 1.16 -0.40 0.29 0.00 -1.21 0.00 0.00 61.69 61.53 2kwl s THR 30 Cb -0.88 -1.43 0.34 0.00 -1.51 0.00 0.00 72.50 69.02 2kwl s THR 30 CO 0.45 0.00 1.97 0.35 -2.21 0.00 0.00 174.62 175.18 2kwl n THR 31 N -0.40 0.00 -0.57 5.08 -2.24 -1.26 -3.16 114.28 111.73 2kwl n THR 31 Ca -0.11 -0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.71 2kwl n THR 31 Cb 0.62 -0.48 0.32 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.42 4.80 0.03 3.42 8.00 -1.26 -4.35 116.55 125.77 2kwl n ASP 32 Ca 0.10 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.79 2kwl n ASP 32 Cb 0.31 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kwl n SER 33 N 0.41 0.46 -0.97 -2.24 7.64 -1.19 -5.00 113.62 112.74 2kwl n SER 33 Ca 0.25 0.08 0.05 0.00 1.01 0.00 0.00 58.87 60.26 2kwl n SER 33 Cb 1.06 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 64.13 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 -3.21 -0.74 0.18 1.43 5.12 -1.25 -1.54 116.66 116.66 2kwl n ARG 34 Ca 0.00 0.49 0.03 0.00 -1.93 0.00 0.00 57.85 56.44 2kwl n ARG 34 Cb 0.24 -0.90 0.35 0.00 -1.16 0.00 0.00 32.46 30.98 2kwl n ARG 34 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2kwl h PHE 35 N -0.34 0.00 -0.18 -1.55 0.04 -1.90 0.79 116.94 113.80 2kwl h PHE 35 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kwl h PHE 35 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 2kwl h PHE 35 CO 0.00 0.40 0.10 -0.39 -0.60 0.00 0.00 178.31 177.82 2kwl h VAL 36 N 0.00 1.10 0.00 -0.55 -1.51 -1.67 0.30 116.25 113.92 2kwl h VAL 36 Ca -0.00 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2kwl h VAL 36 Cb 0.76 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kwl h VAL 36 CO 0.05 0.10 -0.25 -0.33 -1.23 0.00 0.00 177.57 175.91 2kwl h GLU 37 N 0.19 0.00 0.86 5.19 4.39 -1.20 -3.40 114.58 120.61 2kwl h GLU 37 Ca 0.06 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 2kwl h GLU 37 Cb 0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2kwl h GLU 37 CO -0.01 0.30 -0.41 0.22 -1.16 0.00 0.00 179.01 177.95 2kwl h ASP 38 N -1.00 -0.98 -2.56 1.42 1.82 -0.95 -3.45 116.42 110.73 2kwl h ASP 38 Ca -0.04 0.03 -0.46 0.00 -0.39 0.00 0.00 57.03 56.17 2kwl h ASP 38 Cb 0.45 0.25 0.11 0.00 0.68 0.00 0.00 39.33 40.83 2kwl h ASP 38 CO -0.02 -0.68 0.21 -0.76 -1.61 0.00 0.00 179.24 176.38 2kwl s LEU 39 N -9.95 2.88 -0.62 2.28 1.02 0.10 -5.02 118.68 109.38 2kwl s LEU 39 Ca -0.18 -0.27 0.03 0.00 0.02 0.00 0.00 54.13 53.72 2kwl s LEU 39 Cb 0.02 -1.90 0.38 0.00 0.02 0.00 0.00 46.19 44.71 2kwl s LEU 39 CO 0.59 -2.23 1.34 -3.20 0.02 0.00 0.00 176.35 172.87 2kwl n ASN 40 N -3.16 5.53 -3.16 2.29 5.15 -1.23 -4.32 115.26 116.36 2kwl n ASN 40 Ca 0.16 -3.74 0.01 0.00 -0.60 0.00 0.00 54.58 50.42 2kwl n ASN 40 Cb 0.60 -0.68 0.01 0.00 -0.53 0.00 0.00 39.78 39.18 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kwl n ALA 41 N -0.40 -2.69 -2.63 5.20 0.00 -1.25 -5.09 120.51 113.66 2kwl n ALA 41 Ca 0.41 -0.71 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 2kwl n ALA 41 Cb 0.47 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 2kwl n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kwl s ASP 42 N -3.19 5.32 0.58 0.00 1.11 -1.26 -3.24 116.67 115.99 2kwl s ASP 42 Ca 0.23 -0.42 0.29 0.00 0.18 0.00 0.00 52.55 52.82 2kwl s ASP 42 Cb -0.01 -1.11 1.42 0.00 1.07 0.00 0.00 42.92 44.29 2kwl s ASP 42 CO 0.01 -0.22 1.82 0.77 1.18 0.00 0.00 175.17 178.73 2kwl h SER 43 N 1.37 0.00 -0.45 0.27 4.64 -1.97 -0.92 113.55 116.49 2kwl h SER 43 Ca -0.46 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.95 2kwl h SER 43 Cb 1.25 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 2kwl h SER 43 CO 0.59 0.00 -0.11 0.17 -0.87 0.00 0.00 176.83 176.61 2kwl h LEU 44 N 0.00 -0.42 0.00 5.97 8.10 -2.01 0.19 115.31 127.13 2kwl h LEU 44 Ca 0.28 0.14 -0.04 0.00 0.11 0.00 0.00 57.88 58.37 2kwl h LEU 44 Cb 1.49 0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.98 2kwl h LEU 44 CO -0.00 -0.15 -0.22 -0.78 -4.11 0.00 0.00 178.44 173.18 2kwl h ASP 45 N -0.00 0.00 0.98 0.17 3.58 -1.57 -3.20 116.42 116.36 2kwl h ASP 45 Ca 0.22 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 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 -0.46 0.17 -0.34 0.40 -2.88 0.00 0.00 179.24 176.12 2kwl h ILE 46 N 0.00 0.76 -0.56 2.25 1.08 -0.77 -3.22 117.51 117.06 2kwl h ILE 46 Ca -0.00 -1.49 0.11 0.00 -0.39 0.00 0.00 64.86 63.09 2kwl h ILE 46 Cb 1.13 1.95 -0.11 0.00 -3.07 0.00 0.00 36.82 36.73 2kwl h ILE 46 CO 0.02 0.34 -0.13 0.22 -0.69 0.00 0.00 178.15 177.91 2kwl h TYR 47 N 0.00 -0.27 -0.09 1.37 5.03 -0.71 -0.44 116.97 121.86 2kwl h TYR 47 Ca -0.00 0.05 -0.19 0.00 2.58 0.00 0.00 58.73 61.17 2kwl h TYR 47 Cb 0.92 0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.41 2kwl h TYR 47 CO 0.00 -0.23 -0.73 0.93 -1.32 0.00 0.00 178.16 176.81 2kwl h GLU 48 N 0.01 0.46 0.15 1.82 3.07 -1.78 -1.96 114.58 116.35 2kwl h GLU 48 Ca 0.27 -0.37 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2kwl h GLU 48 Cb 0.42 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.36 2kwl h GLU 48 CO -0.57 1.01 -0.53 1.25 -1.40 0.00 0.00 179.01 178.77 2kwl h LEU 49 N 0.32 -1.57 -0.31 1.33 5.85 -1.13 0.28 115.31 120.07 2kwl h LEU 49 Ca -0.03 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2kwl h LEU 49 Cb 1.31 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 2kwl h LEU 49 CO 0.13 -0.56 -0.17 0.17 -0.34 0.00 0.00 178.44 177.66 2kwl h LEU 50 N -0.77 0.68 -0.76 2.25 8.10 -1.37 -1.51 115.31 121.92 2kwl h LEU 50 Ca -0.01 -0.42 0.14 0.00 0.11 0.00 0.00 57.88 57.70 2kwl h LEU 50 Cb 0.76 -0.19 -0.09 0.00 -0.44 0.00 0.00 40.66 40.70 2kwl h LEU 50 CO -0.27 0.95 0.33 0.22 -4.11 0.00 0.00 178.44 175.56 2kwl h TYR 51 N 0.41 0.57 0.00 0.17 3.20 -1.09 0.93 116.97 121.15 2kwl h TYR 51 Ca 0.07 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 2kwl h TYR 51 Cb 0.70 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2kwl h TYR 51 CO 0.06 0.10 -0.62 -0.07 -1.64 0.00 0.00 178.16 175.99 2kwl h LEU 52 N 0.49 0.00 0.17 2.82 4.07 -0.39 -3.05 115.31 119.41 2kwl h LEU 52 Ca 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.37 2kwl h LEU 52 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2kwl h LEU 52 CO -0.38 0.62 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.45 2kwl h LEU 53 N 0.00 -0.19 -1.52 1.67 4.07 0.18 -2.94 115.31 116.57 2kwl h LEU 53 Ca -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 2kwl h LEU 53 Cb 1.34 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 43.11 2kwl h LEU 53 CO 0.08 0.13 0.16 1.05 -1.08 0.00 0.00 178.44 178.78 2kwl h GLU 54 N -0.53 0.48 0.00 1.13 -0.00 -1.11 -0.80 114.58 113.74 2kwl h GLU 54 Ca -0.02 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.29 2kwl h GLU 54 Cb 0.41 -0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2kwl h GLU 54 CO 0.04 0.39 -0.00 1.49 -0.00 0.00 0.00 179.01 180.92 2kwl h GLU 55 N 0.49 0.00 0.00 1.06 4.81 -1.42 0.26 114.58 119.78 2kwl h GLU 55 Ca 0.12 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2kwl h GLU 55 Cb 0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2kwl h GLU 55 CO -0.02 0.00 -1.12 0.00 -0.73 0.00 0.00 179.01 177.15 2kwl n ALA 56 N -2.09 2.46 0.05 2.92 0.00 -0.33 -3.95 120.51 119.58 2kwl n ALA 56 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.20 2kwl n ALA 56 Cb 0.17 -1.07 0.13 0.00 0.00 0.00 0.00 19.45 18.69 2kwl n ALA 56 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2kwl n PHE 57 N -2.68 0.34 -3.22 0.00 3.72 -0.55 -5.03 117.46 110.04 2kwl n PHE 57 Ca -0.02 -0.33 -0.19 0.00 -0.05 0.00 0.00 57.45 56.87 2kwl n PHE 57 Cb 0.59 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.66 -6.73 -3.78 4.37 8.00 0.81 -5.02 116.55 114.85 2kwl n ASP 58 Ca 0.11 0.02 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 2kwl n ASP 58 Cb 0.40 -3.68 -0.02 0.00 -0.02 0.00 0.00 41.12 37.80 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 -2.35 -0.20 -0.18 -2.24 1.01 -0.99 -5.04 116.67 106.69 2kwl s ASP 59 Ca 0.22 -0.46 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 2kwl s ASP 59 Cb -0.04 0.55 -0.03 0.00 1.01 0.00 0.00 42.92 44.41 2kwl s ASP 59 CO 0.82 -1.02 0.02 -0.54 0.21 0.00 0.00 175.17 174.66 2kwl s LYS 60 N -3.45 3.81 -0.05 8.23 1.02 -1.26 -4.54 119.74 123.50 2kwl s LYS 60 Ca 0.12 -0.43 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 2kwl s LYS 60 Cb -0.03 -3.10 -0.11 0.00 -0.52 0.00 0.00 37.83 34.07 2kwl s LYS 60 CO 0.03 0.20 0.67 0.82 -0.92 0.00 0.00 175.35 176.16 2kwl h ILE 61 N 5.07 0.33 0.00 2.17 1.08 -1.95 0.36 117.51 124.57 2kwl h ILE 61 Ca -0.35 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2kwl h ILE 61 Cb 1.18 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2kwl h ILE 61 CO 0.66 0.09 0.00 -0.81 -0.69 0.00 0.00 178.15 177.39 2kwl n PRO 62 N -5.03 0.23 -0.01 2.37 -0.04 -1.26 -0.32 135.00 130.95 2kwl n PRO 62 Ca -0.07 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 2kwl n PRO 62 Cb 0.22 -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 -1.26 0.11 0.16 0.54 4.07 -1.22 -4.41 120.64 118.63 2kwl n GLU 63 Ca 0.07 0.04 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 2kwl n GLU 63 Cb 0.11 -0.54 -0.03 0.00 -0.06 0.00 0.00 31.44 30.92 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2kwl h ASN 64 N -0.20 -0.38 -0.62 4.31 -1.24 -0.41 -3.18 115.58 113.85 2kwl h ASN 64 Ca 0.00 0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.13 2kwl h ASN 64 Cb 0.20 0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 2kwl h ASN 64 CO 0.00 -0.06 0.42 -0.33 -1.29 0.00 0.00 177.43 176.16 2kwl h GLU 65 N -0.86 0.41 0.00 6.67 3.07 -0.89 0.20 114.58 123.17 2kwl h GLU 65 Ca -0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2kwl h GLU 65 Cb 0.34 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2kwl h GLU 65 CO 0.08 0.27 0.00 0.00 -1.40 0.00 0.00 179.01 177.96 2kwl h ALA 66 N 1.69 1.00 -0.35 3.43 0.00 -0.73 -1.07 119.26 123.23 2kwl h ALA 66 Ca 0.29 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.30 2kwl h ALA 66 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kwl h ALA 66 CO -0.08 0.00 0.27 -0.97 0.00 0.00 0.00 179.25 178.46 2kwl h ASN 67 N 0.00 0.00 0.00 0.00 -0.00 -0.57 -3.28 115.58 111.73 2kwl h ASN 67 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.12 2kwl h ASN 67 Cb 0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 38.29 2kwl h ASN 67 CO 0.00 0.00 -0.28 1.21 -0.00 0.00 0.00 177.43 178.36 2kwl n GLU 68 N -4.34 1.33 -3.13 6.67 4.07 -0.90 -5.14 120.64 119.21 2kwl n GLU 68 Ca 0.06 -1.28 -0.25 0.00 -0.06 0.00 0.00 57.16 55.62 2kwl n GLU 68 Cb 0.45 0.36 -0.01 0.00 -0.06 0.00 0.00 31.44 32.18 2kwl n GLU 68 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2kwl s PHE 69 N 0.14 3.51 0.03 4.31 0.40 -0.45 -4.93 117.98 120.98 2kwl s PHE 69 Ca 0.11 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.93 2kwl s PHE 69 Cb 0.44 -2.04 0.00 0.00 0.51 0.00 0.00 43.02 41.93 2kwl s PHE 69 CO -0.12 -0.02 0.00 -1.91 0.70 0.00 0.00 175.22 173.86 2kwl n GLU 70 N -1.95 0.00 -3.62 0.44 4.07 -1.26 -4.99 120.64 113.33 2kwl n GLU 70 Ca -0.03 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 2kwl n GLU 70 Cb 0.56 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.90 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 -2.35 0.00 -0.30 6.31 -2.24 -1.26 -5.05 114.28 109.40 2kwl n THR 71 Ca 0.00 -1.60 0.01 0.00 -2.27 0.00 0.00 64.05 60.19 2kwl n THR 71 Cb 0.00 0.92 0.14 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.84 1.00 -1.03 2.28 2.07 -1.89 -1.76 116.25 118.76 2kwl h VAL 72 Ca -0.21 -0.31 0.26 0.00 0.82 0.00 0.00 66.70 67.26 2kwl h VAL 72 Cb 0.97 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 2kwl h VAL 72 CO 0.30 0.16 0.65 1.23 0.02 0.00 0.00 177.57 179.93 2kwl h GLY 73 N 0.89 1.40 1.50 2.17 0.00 -1.93 0.34 103.07 107.44 2kwl h GLY 73 Ca 0.37 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.32 2kwl h GLY 73 CO -0.19 -0.16 -0.47 -0.55 0.00 0.00 0.00 176.54 175.17 2kwl h ASP 74 N 0.46 0.59 -0.09 0.19 5.19 -1.68 -2.90 116.42 118.17 2kwl h ASP 74 Ca 0.60 -0.28 -0.09 0.00 -0.62 0.00 0.00 57.03 56.65 2kwl h ASP 74 Cb 1.41 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2kwl h ASP 74 CO -0.34 0.97 -0.27 0.58 -3.12 0.00 0.00 179.24 177.05 2kwl h VAL 75 N 0.44 1.40 -0.29 -1.35 2.07 -0.39 -1.52 116.25 116.61 2kwl h VAL 75 Ca 0.03 -1.61 0.06 0.00 0.82 0.00 0.00 66.70 66.00 2kwl h VAL 75 Cb 0.98 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 2kwl h VAL 75 CO 0.09 0.47 -0.14 0.58 0.02 0.00 0.00 177.57 178.59 2kwl h VAL 76 N -0.10 0.57 0.00 2.57 2.07 -0.82 0.24 116.25 120.78 2kwl h VAL 76 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2kwl h VAL 76 Cb 0.89 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2kwl h VAL 76 CO 0.06 0.00 -0.16 -0.55 0.02 0.00 0.00 177.57 176.94 2kwl h ASN 77 N -0.09 0.00 0.10 0.57 7.08 -1.58 -3.18 115.58 118.47 2kwl h ASN 77 Ca 0.15 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.36 2kwl h ASN 77 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.56 2kwl h ASN 77 CO -0.35 0.16 -0.05 -0.26 -2.08 0.00 0.00 177.43 174.85 2kwl h PHE 78 N 0.00 -0.12 -0.55 4.14 -1.00 0.04 -3.20 116.94 116.26 2kwl h PHE 78 Ca -0.00 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.93 2kwl h PHE 78 Cb 0.75 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 2kwl h PHE 78 CO 0.00 0.40 0.42 0.82 -1.61 0.00 0.00 178.31 178.35 2kwl h ILE 79 N -0.77 0.63 -0.05 -0.55 2.04 -0.64 -1.01 117.51 117.15 2kwl h ILE 79 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2kwl h ILE 79 Cb 0.57 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2kwl h ILE 79 CO 0.02 0.00 -0.17 0.11 0.00 0.00 0.00 178.15 178.11 2kwl h LYS 80 N 0.00 -0.24 0.01 2.37 1.57 -1.54 -1.16 116.57 117.58 2kwl h LYS 80 Ca 0.26 0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 2kwl h LYS 80 Cb 1.11 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2kwl h LYS 80 CO -0.00 -0.16 -0.96 1.57 -0.57 0.00 0.00 179.45 179.33 2kwl h LYS 81 N -0.25 0.35 -1.00 3.15 2.10 -1.41 0.90 116.57 120.41 2kwl h LYS 81 Ca 0.07 -0.40 0.13 0.00 -2.00 0.00 0.00 60.65 58.45 2kwl h LYS 81 Cb 0.35 0.12 -0.09 0.00 -0.90 0.00 0.00 32.23 31.71 2kwl h LYS 81 CO -0.20 1.09 0.63 0.00 -2.00 0.00 0.00 179.45 178.97 2kwl h ARG 82 N 0.19 0.94 0.04 0.07 3.08 -0.90 -2.74 114.38 115.06 2kwl h ARG 82 Ca -0.08 -0.06 -0.35 0.00 0.07 0.00 0.00 59.98 59.56 2kwl h ARG 82 Cb 1.60 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 31.40 2kwl h ARG 82 CO 0.16 0.62 -2.08 1.63 -1.07 0.00 0.00 179.97 179.23 2kwl n LYS 83 N -4.64 0.69 0.00 0.04 4.76 -0.47 -5.08 118.16 113.47 2kwl n LYS 83 Ca 0.19 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2kwl n LYS 83 Cb 0.37 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44