#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl s PRO 2 N 0.00 4.37 0.00 1.61 0.04 -1.26 -3.87 135.00 135.89 2kwl s PRO 2 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2kwl s PRO 2 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2kwl s PRO 2 CO 0.00 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2kwl n GLY 3 N 2.86 1.43 0.12 0.56 0.00 -1.26 -5.01 105.19 103.90 2kwl n GLY 3 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2kwl n GLY 3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kwl h SER 4 N 0.16 -0.16 -5.51 1.61 0.02 -2.02 -3.47 113.55 104.18 2kwl h SER 4 Ca 0.00 -0.39 -0.41 0.00 -0.84 0.00 0.00 61.79 60.15 2kwl h SER 4 Cb 0.00 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 2kwl h SER 4 CO 0.00 0.38 -0.63 0.23 -1.14 0.00 0.00 176.83 175.67 2kwl n MET 5 N -4.92 -4.24 -2.28 3.45 2.81 -1.26 -4.96 117.12 105.72 2kwl n MET 5 Ca -0.08 0.59 -0.27 0.00 -1.81 0.00 0.00 57.70 56.13 2kwl n MET 5 Cb 0.27 -5.38 0.15 0.00 -0.71 0.00 0.00 33.22 27.55 2kwl n MET 5 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kwl s ASP 6 N -2.88 3.68 0.24 7.83 1.01 -1.26 -4.77 116.67 120.51 2kwl s ASP 6 Ca 0.46 -0.11 -0.05 0.00 0.71 0.00 0.00 52.55 53.56 2kwl s ASP 6 Cb -0.23 -0.07 0.39 0.00 1.01 0.00 0.00 42.92 44.02 2kwl s ASP 6 CO 0.57 -2.33 1.81 -1.13 0.21 0.00 0.00 175.17 174.29 2kwl h ASN 7 N -1.10 0.65 0.35 0.27 -1.24 -1.91 0.37 115.58 112.98 2kwl h ASN 7 Ca -0.40 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2kwl h ASN 7 Cb 1.25 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.22 2kwl h ASN 7 CO 0.37 0.37 0.00 -0.67 -1.29 0.00 0.00 177.43 176.22 2kwl n ASP 8 N -4.75 0.00 -0.01 1.15 2.03 -1.26 -2.83 116.55 110.88 2kwl n ASP 8 Ca 0.13 -0.34 0.09 0.00 0.52 0.00 0.00 54.79 55.19 2kwl n ASP 8 Cb 0.28 -0.20 -0.13 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.20 0.71 0.01 -0.67 4.07 0.11 -4.34 120.64 119.33 2kwl n GLU 9 Ca 0.15 -0.13 -0.11 0.00 -0.06 0.00 0.00 57.16 57.02 2kwl n GLU 9 Cb 0.18 -1.39 -0.04 0.00 -0.06 0.00 0.00 31.44 30.12 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 0.27 -0.07 6.31 2.04 -0.75 0.25 117.51 125.56 2kwl h ILE 10 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 2kwl h ILE 10 Cb 0.72 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2kwl h ILE 10 CO 0.00 0.00 -0.36 2.19 0.00 0.00 0.00 178.15 179.98 2kwl h PHE 11 N -0.42 0.17 0.03 1.37 -0.00 -1.80 -1.65 116.94 114.64 2kwl h PHE 11 Ca 0.09 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 58.02 2kwl h PHE 11 Cb 0.56 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 2kwl h PHE 11 CO -0.41 0.50 -0.01 1.03 -0.00 0.00 0.00 178.31 179.42 2kwl h SER 12 N 0.13 -0.03 -0.15 -0.68 0.87 -1.44 0.23 113.55 112.47 2kwl h SER 12 Ca 0.01 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2kwl h SER 12 Cb 0.71 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2kwl h SER 12 CO 0.05 0.18 -0.01 0.50 -0.53 0.00 0.00 176.83 177.02 2kwl h LYS 13 N -0.24 0.28 -0.41 2.24 3.11 -0.50 0.45 116.57 121.50 2kwl h LYS 13 Ca -0.00 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2kwl h LYS 13 Cb 0.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 2kwl h LYS 13 CO 0.01 0.52 0.26 0.28 -2.81 0.00 0.00 179.45 177.71 2kwl h VAL 14 N 0.01 1.12 -0.10 2.00 2.07 -1.30 -2.38 116.25 117.67 2kwl h VAL 14 Ca 0.04 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 2kwl h VAL 14 Cb 0.40 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2kwl h VAL 14 CO 0.01 0.12 -0.39 -0.09 0.02 0.00 0.00 177.57 177.24 2kwl h ARG 15 N 0.55 0.21 0.00 1.57 1.12 -0.52 -2.59 114.38 114.73 2kwl h ARG 15 Ca 0.15 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2kwl h ARG 15 Cb -0.03 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2kwl h ARG 15 CO -0.03 0.57 -0.08 1.03 -3.11 0.00 0.00 179.97 178.35 2kwl h SER 16 N 0.18 0.00 0.17 -3.80 0.87 -0.40 0.40 113.55 110.96 2kwl h SER 16 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2kwl h SER 16 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2kwl h SER 16 CO 0.06 0.08 -0.08 0.40 -0.53 0.00 0.00 176.83 176.76 2kwl h ILE 17 N 0.00 0.89 -0.00 2.23 2.04 -1.13 -3.27 117.51 118.26 2kwl h ILE 17 Ca -0.00 -1.07 -0.18 0.00 1.00 0.00 0.00 64.86 64.62 2kwl h ILE 17 Cb 0.26 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2kwl h ILE 17 CO 0.01 0.22 -0.81 0.16 0.00 0.00 0.00 178.15 177.73 2kwl h ILE 18 N -0.81 1.52 -0.90 -0.67 3.07 -1.56 -3.18 117.51 114.99 2kwl h ILE 18 Ca -0.02 -2.61 0.26 0.00 1.55 0.00 0.00 64.86 64.04 2kwl h ILE 18 Cb 0.53 2.42 -0.04 0.00 -0.27 0.00 0.00 36.82 39.46 2kwl h ILE 18 CO 0.04 0.75 0.64 -1.28 -1.05 0.00 0.00 178.15 177.25 2kwl h SER 19 N 0.05 0.03 -0.46 2.16 0.87 -0.30 0.46 113.55 116.37 2kwl h SER 19 Ca -0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2kwl h SER 19 Cb 1.41 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 2kwl h SER 19 CO 0.11 0.01 0.15 -0.08 -0.53 0.00 0.00 176.83 176.49 2kwl h GLU 20 N 0.03 0.71 0.00 2.24 4.57 -1.60 0.38 114.58 120.91 2kwl h GLU 20 Ca 0.43 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 2kwl h GLU 20 Cb 1.68 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.16 2kwl h GLU 20 CO -0.02 0.68 -0.43 0.37 -1.18 0.00 0.00 179.01 178.42 2kwl h GLN 21 N 0.60 0.00 0.00 1.92 5.75 -0.95 -3.33 115.11 119.10 2kwl h GLN 21 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2kwl h GLN 21 Cb 0.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2kwl h GLN 21 CO -0.01 0.61 0.00 -0.07 -2.65 0.00 0.00 178.83 176.71 2kwl h LEU 22 N -1.00 0.00 -0.67 -2.39 4.07 -0.32 -3.45 115.31 111.55 2kwl h LEU 22 Ca -0.10 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.40 2kwl h LEU 22 Cb 0.78 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.46 2kwl h LEU 22 CO -0.06 0.00 -0.73 0.47 -1.08 0.00 0.00 178.44 177.04 2kwl n ASP 23 N -2.40 -4.61 -4.26 -0.43 8.00 0.13 -4.96 116.55 108.02 2kwl n ASP 23 Ca -0.00 -0.72 -0.19 0.00 0.71 0.00 0.00 54.79 54.58 2kwl n ASP 23 Cb 0.13 -3.70 -0.11 0.00 -0.02 0.00 0.00 41.12 37.42 2kwl n ASP 23 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kwl s LYS 24 N -6.53 1.08 0.42 -1.24 -2.85 -1.15 -5.04 119.74 104.43 2kwl s LYS 24 Ca 0.62 -1.25 0.08 0.00 -1.00 0.00 0.00 55.97 54.42 2kwl s LYS 24 Cb -0.32 -1.05 -0.00 0.00 -2.06 0.00 0.00 37.83 34.40 2kwl s LYS 24 CO 0.77 0.21 0.48 0.15 0.10 0.00 0.00 175.35 177.06 2kwl s LYS 25 N -2.55 2.67 0.44 1.78 3.01 -1.26 -4.44 119.74 119.38 2kwl s LYS 25 Ca 0.09 -1.40 0.30 0.00 -1.01 0.00 0.00 55.97 53.95 2kwl s LYS 25 Cb -0.06 -2.56 1.50 0.00 -1.01 0.00 0.00 37.83 35.70 2kwl s LYS 25 CO 0.04 -0.25 1.92 1.05 0.51 0.00 0.00 175.35 178.62 2kwl h GLU 26 N 0.82 0.00 0.00 1.68 -0.00 -1.97 -2.30 114.58 112.81 2kwl h GLU 26 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2kwl h GLU 26 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2kwl h GLU 26 CO 0.51 0.00 0.11 0.22 -0.00 0.00 0.00 179.01 179.85 2kwl h ASP 27 N 0.00 0.00 1.40 3.06 1.82 -2.05 0.20 116.42 120.85 2kwl h ASP 27 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2kwl h ASP 27 Cb 0.18 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 2kwl h ASP 27 CO 0.00 0.00 -0.11 -0.33 -1.61 0.00 0.00 179.24 177.19 2kwl h GLU 28 N 0.00 0.00 -5.54 0.28 5.08 -1.82 -3.44 114.58 109.15 2kwl h GLU 28 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2kwl h GLU 28 Cb 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2kwl h GLU 28 CO 0.00 0.11 1.61 -0.89 -1.00 0.00 0.00 179.01 178.84 2kwl n ILE 29 N -3.17 0.02 -3.88 3.13 2.08 0.68 -4.75 119.36 113.46 2kwl n ILE 29 Ca 0.02 -0.40 -0.08 0.00 0.56 0.00 0.00 62.75 62.85 2kwl n ILE 29 Cb 0.46 -1.77 -0.03 0.00 -0.75 0.00 0.00 39.64 37.55 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 9.82 0.00 -1.17 1.39 -1.32 -1.26 -4.92 115.64 118.19 2kwl s THR 30 Ca 1.13 -1.09 0.29 0.00 -1.21 0.00 0.00 61.69 60.81 2kwl s THR 30 Cb -0.70 -2.01 0.33 0.00 -1.51 0.00 0.00 72.50 68.61 2kwl s THR 30 CO 0.40 -0.01 1.94 1.07 -2.21 0.00 0.00 174.62 175.81 2kwl n THR 31 N -0.42 0.00 -1.27 5.08 5.66 -1.26 -3.22 114.28 118.84 2kwl n THR 31 Ca -0.04 -0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.91 2kwl n THR 31 Cb 0.60 -0.44 0.22 0.00 -1.55 0.00 0.00 70.33 69.16 2kwl n THR 31 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kwl n ASP 32 N -1.40 3.24 0.01 1.09 8.00 -1.26 -4.60 116.55 121.63 2kwl n ASP 32 Ca 0.10 -3.53 -0.03 0.00 0.71 0.00 0.00 54.79 52.04 2kwl n ASP 32 Cb 0.30 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.89 0.84 -1.45 -2.24 7.64 -1.20 -4.99 113.62 111.34 2kwl n SER 33 Ca 0.36 0.12 0.20 0.00 1.01 0.00 0.00 58.87 60.55 2kwl n SER 33 Cb 1.15 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 64.01 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 -3.46 -2.91 0.15 1.43 1.74 -1.26 -1.51 116.66 110.85 2kwl n ARG 34 Ca -0.05 1.92 0.03 0.00 -0.77 0.00 0.00 57.85 58.98 2kwl n ARG 34 Cb 0.30 -3.55 0.40 0.00 -1.02 0.00 0.00 32.46 28.58 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 -1.34 0.15 -0.11 -1.55 0.04 -1.90 0.23 116.94 112.46 2kwl h PHE 35 Ca 0.03 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.80 2kwl h PHE 35 Cb 1.33 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 2kwl h PHE 35 CO -3.46 0.34 -0.00 -0.39 -0.60 0.00 0.00 178.31 174.20 2kwl h VAL 36 N 0.13 0.93 0.00 -0.55 -1.51 -1.69 0.19 116.25 113.74 2kwl h VAL 36 Ca 0.02 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.45 2kwl h VAL 36 Cb 0.44 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2kwl h VAL 36 CO 0.03 0.01 -0.30 -0.08 -1.23 0.00 0.00 177.57 176.00 2kwl h GLU 37 N 0.03 0.00 0.47 5.19 4.81 -1.09 -3.41 114.58 120.58 2kwl h GLU 37 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2kwl h GLU 37 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2kwl h GLU 37 CO -0.08 0.32 -0.27 0.22 -0.73 0.00 0.00 179.01 178.46 2kwl h ASP 38 N -1.00 -0.67 -3.85 1.04 1.82 -0.60 -3.44 116.42 109.72 2kwl h ASP 38 Ca -0.05 0.03 -0.45 0.00 -0.39 0.00 0.00 57.03 56.17 2kwl h ASP 38 Cb 0.49 0.19 0.14 0.00 0.68 0.00 0.00 39.33 40.83 2kwl h ASP 38 CO -0.03 -0.43 0.36 -0.76 -1.61 0.00 0.00 179.24 176.78 2kwl s LEU 39 N -7.34 2.72 -0.55 2.28 1.43 0.66 -5.00 118.68 112.88 2kwl s LEU 39 Ca -0.11 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2kwl s LEU 39 Cb 0.01 -2.49 0.42 0.00 0.03 0.00 0.00 46.19 44.17 2kwl s LEU 39 CO 0.33 -2.39 1.60 -3.20 0.23 0.00 0.00 176.35 172.92 2kwl n ASN 40 N -3.50 6.25 -3.06 2.29 5.15 -1.25 -4.37 115.26 116.78 2kwl n ASN 40 Ca 0.13 -3.77 -0.06 0.00 -0.60 0.00 0.00 54.58 50.28 2kwl n ASN 40 Cb 0.60 -0.71 0.03 0.00 -0.53 0.00 0.00 39.78 39.17 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 -3.76 -1.11 0.27 5.20 0.00 -1.25 -5.10 121.76 116.01 2kwl s ALA 41 Ca 0.54 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2kwl s ALA 41 Cb 0.44 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 24.24 2kwl s ALA 41 CO -0.13 -1.02 0.23 0.16 0.00 0.00 0.00 175.76 175.00 2kwl s ASP 42 N -3.26 5.51 0.59 0.00 1.47 -1.26 -3.39 116.67 116.33 2kwl s ASP 42 Ca 0.19 -0.29 0.29 0.00 1.18 0.00 0.00 52.55 53.92 2kwl s ASP 42 Cb -0.04 -1.32 1.44 0.00 -0.34 0.00 0.00 42.92 42.66 2kwl s ASP 42 CO 0.09 -0.12 1.85 0.28 0.68 0.00 0.00 175.17 177.94 2kwl h SER 43 N 1.40 0.00 -0.43 2.11 0.02 -1.97 -1.13 113.55 113.55 2kwl h SER 43 Ca -0.48 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.56 2kwl h SER 43 Cb 1.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 2kwl h SER 43 CO 0.60 0.00 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.10 2kwl h LEU 44 N 0.00 -0.45 0.08 5.07 3.38 -2.01 0.19 115.31 121.58 2kwl h LEU 44 Ca 0.23 0.13 -0.26 0.00 0.09 0.00 0.00 57.88 58.07 2kwl h LEU 44 Cb 1.30 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2kwl h LEU 44 CO -0.00 -0.16 -1.19 -0.78 0.09 0.00 0.00 178.44 176.40 2kwl h ASP 45 N -0.02 0.39 0.10 -0.43 1.82 -1.62 -3.24 116.42 113.42 2kwl h ASP 45 Ca 0.21 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2kwl h ASP 45 Cb 0.34 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 2kwl h ASP 45 CO -0.45 1.31 -0.05 0.40 -1.61 0.00 0.00 179.24 178.83 2kwl h ILE 46 N 0.08 0.70 -0.85 2.25 1.08 -1.03 -2.63 117.51 117.11 2kwl h ILE 46 Ca -0.12 -0.19 0.20 0.00 -0.39 0.00 0.00 64.86 64.36 2kwl h ILE 46 Cb 1.91 1.11 -0.12 0.00 -3.07 0.00 0.00 36.82 36.66 2kwl h ILE 46 CO 0.19 0.05 0.33 0.22 -0.69 0.00 0.00 178.15 178.25 2kwl h TYR 47 N 0.00 0.54 -0.11 1.37 5.03 -0.67 0.18 116.97 123.31 2kwl h TYR 47 Ca -0.00 0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.17 2kwl h TYR 47 Cb 0.11 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 2kwl h TYR 47 CO 0.00 -0.04 -0.67 0.93 -1.32 0.00 0.00 178.16 177.06 2kwl h GLU 48 N 0.38 0.46 0.74 1.82 3.07 -1.69 -1.73 114.58 117.63 2kwl h GLU 48 Ca 0.51 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 2kwl h GLU 48 Cb 0.92 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 2kwl h GLU 48 CO -0.51 0.97 -0.49 1.25 -1.40 0.00 0.00 179.01 178.83 2kwl h LEU 49 N 0.33 -1.25 -0.89 1.33 7.12 -0.75 0.32 115.31 121.52 2kwl h LEU 49 Ca -0.02 0.07 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 2kwl h LEU 49 Cb 1.23 0.37 -0.02 0.00 -0.53 0.00 0.00 40.66 41.71 2kwl h LEU 49 CO 0.12 -0.73 0.09 0.17 -0.13 0.00 0.00 178.44 177.96 2kwl h LEU 50 N -1.16 0.86 -1.43 2.25 8.10 -1.35 -2.02 115.31 120.57 2kwl h LEU 50 Ca -0.10 -0.19 -0.04 0.00 0.11 0.00 0.00 57.88 57.66 2kwl h LEU 50 Cb 0.94 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.92 2kwl h LEU 50 CO 0.08 0.87 -0.09 0.22 -4.11 0.00 0.00 178.44 175.41 2kwl h TYR 51 N 0.86 0.28 0.25 0.17 3.20 -1.13 0.67 116.97 121.26 2kwl h TYR 51 Ca 0.18 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2kwl h TYR 51 Cb 0.38 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2kwl h TYR 51 CO 0.02 0.36 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.72 2kwl h LEU 52 N 0.26 -0.28 -0.12 2.82 4.07 0.11 -2.89 115.31 119.27 2kwl h LEU 52 Ca 0.06 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.92 2kwl h LEU 52 Cb 0.32 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 2kwl h LEU 52 CO 0.02 0.21 -0.04 0.17 -1.08 0.00 0.00 178.44 177.72 2kwl h LEU 53 N -1.03 -0.14 -1.89 1.67 8.10 -1.36 -1.37 115.31 119.29 2kwl h LEU 53 Ca -0.03 0.04 0.18 0.00 0.11 0.00 0.00 57.88 58.18 2kwl h LEU 53 Cb 0.39 0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 40.66 2kwl h LEU 53 CO 0.06 -0.05 0.48 1.05 -4.11 0.00 0.00 178.44 175.86 2kwl h GLU 54 N -0.02 0.10 -0.12 0.17 4.11 -0.99 0.21 114.58 118.04 2kwl h GLU 54 Ca 0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.36 2kwl h GLU 54 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2kwl h GLU 54 CO -0.13 0.06 -0.47 1.49 0.07 0.00 0.00 179.01 180.04 2kwl h GLU 55 N 0.10 0.29 0.00 1.06 4.81 -1.03 -1.73 114.58 118.08 2kwl h GLU 55 Ca 0.33 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2kwl h GLU 55 Cb 1.16 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2kwl h GLU 55 CO -0.03 0.70 -0.03 0.00 -0.73 0.00 0.00 179.01 178.92 2kwl h ALA 56 N 1.28 0.99 -0.18 2.92 0.00 -0.29 -2.90 119.26 121.08 2kwl h ALA 56 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kwl h ALA 56 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kwl h ALA 56 CO 0.08 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.55 2kwl n PHE 57 N -3.12 0.21 -3.52 0.00 3.72 -0.96 -5.00 117.46 108.80 2kwl n PHE 57 Ca 0.02 -0.12 -0.20 0.00 -0.05 0.00 0.00 57.45 57.10 2kwl n PHE 57 Cb 0.42 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 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 1.24 -5.98 -3.64 4.37 9.92 -0.70 -5.01 116.55 116.75 2kwl n ASP 58 Ca 0.15 -0.71 -0.05 0.00 -0.53 0.00 0.00 54.79 53.65 2kwl n ASP 58 Cb 0.54 -3.52 -0.07 0.00 -0.64 0.00 0.00 41.12 37.43 2kwl n ASP 58 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kwl s ASP 59 N -3.19 -0.70 0.15 -2.24 -4.77 -0.92 -5.06 116.67 99.94 2kwl s ASP 59 Ca 0.20 1.13 -0.31 0.00 -3.30 0.00 0.00 52.55 50.27 2kwl s ASP 59 Cb -0.07 1.29 -0.08 0.00 -1.09 0.00 0.00 42.92 42.96 2kwl s ASP 59 CO 0.84 -0.18 1.38 -0.54 0.70 0.00 0.00 175.17 177.36 2kwl s LYS 60 N 1.45 4.33 -0.01 2.11 -0.14 -1.26 -4.55 119.74 121.67 2kwl s LYS 60 Ca -0.09 2.09 -0.22 0.00 -1.36 0.00 0.00 55.97 56.39 2kwl s LYS 60 Cb -0.04 -3.22 -0.14 0.00 -1.68 0.00 0.00 37.83 32.75 2kwl s LYS 60 CO -0.17 -0.39 0.99 0.82 -0.76 0.00 0.00 175.35 175.84 2kwl h ILE 61 N 4.07 0.38 0.00 2.17 1.08 -1.92 0.31 117.51 123.60 2kwl h ILE 61 Ca -0.43 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 2kwl h ILE 61 Cb 1.21 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2kwl h ILE 61 CO 0.84 0.08 0.00 -0.81 -0.69 0.00 0.00 178.15 177.56 2kwl n PRO 62 N -5.17 0.49 -0.01 2.37 -0.04 -1.26 0.32 135.00 131.70 2kwl n PRO 62 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2kwl n PRO 62 Cb 0.28 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.97 0.08 -0.03 0.54 2.13 -1.17 -4.47 120.64 116.75 2kwl n GLU 63 Ca 0.11 0.03 -0.01 0.00 0.66 0.00 0.00 57.16 57.96 2kwl n GLU 63 Cb 0.05 -0.48 -0.00 0.00 0.27 0.00 0.00 31.44 31.28 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2kwl h ASN 64 N -0.15 -0.03 -0.05 4.31 2.35 -1.02 -3.32 115.58 117.67 2kwl h ASN 64 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2kwl h ASN 64 Cb 0.15 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2kwl h ASN 64 CO 0.00 0.42 0.10 -0.33 -1.65 0.00 0.00 177.43 175.97 2kwl h GLU 65 N -0.92 0.00 0.00 0.81 5.08 -1.34 0.93 114.58 119.14 2kwl h GLU 65 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kwl h GLU 65 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2kwl h GLU 65 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 2kwl n ALA 66 N -2.18 1.50 0.26 3.43 0.00 0.15 -2.15 120.51 121.52 2kwl n ALA 66 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2kwl n ALA 66 Cb 0.19 -1.23 0.70 0.00 0.00 0.00 0.00 19.45 19.11 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 0.00 -0.17 0.00 7.08 -0.94 -3.29 115.58 118.26 2kwl h ASN 67 Ca 0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 2kwl h ASN 67 Cb 0.21 0.00 -0.22 0.00 -2.08 0.00 0.00 38.32 36.23 2kwl h ASN 67 CO 0.00 0.06 -0.53 -0.62 -2.08 0.00 0.00 177.43 174.26 2kwl n GLU 68 N -4.18 1.38 -3.72 4.14 1.02 -1.03 -5.13 120.64 113.13 2kwl n GLU 68 Ca -0.03 -1.96 -0.34 0.00 -0.02 0.00 0.00 57.16 54.81 2kwl n GLU 68 Cb 0.14 -0.21 -0.05 0.00 -0.02 0.00 0.00 31.44 31.30 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2kwl s PHE 69 N -0.89 3.56 0.18 -0.32 5.36 -0.92 -4.90 117.98 120.06 2kwl s PHE 69 Ca 0.17 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2kwl s PHE 69 Cb 0.41 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 2kwl s PHE 69 CO -0.09 0.57 0.00 -1.91 -1.46 0.00 0.00 175.22 172.33 2kwl n GLU 70 N 0.91 0.00 -3.55 10.12 4.07 -1.26 -5.00 120.64 125.93 2kwl n GLU 70 Ca -0.09 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.87 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 -2.89 0.00 -0.31 6.31 -2.24 -1.26 -4.99 114.28 108.91 2kwl n THR 71 Ca 0.00 -1.66 0.12 0.00 -2.27 0.00 0.00 64.05 60.23 2kwl n THR 71 Cb 0.00 0.78 0.29 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 1.68 0.59 -0.99 2.28 2.07 -1.84 0.06 116.25 120.11 2kwl h VAL 72 Ca -0.17 -0.18 0.24 0.00 0.82 0.00 0.00 66.70 67.41 2kwl h VAL 72 Cb 0.82 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.48 2kwl h VAL 72 CO 0.26 0.10 0.56 1.23 0.02 0.00 0.00 177.57 179.74 2kwl h GLY 73 N 0.54 1.86 0.78 2.17 0.00 -1.92 -0.78 103.07 105.72 2kwl h GLY 73 Ca 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2kwl h GLY 73 CO -0.45 -0.26 -0.07 -0.55 0.00 0.00 0.00 176.54 175.21 2kwl h ASP 74 N 0.54 -0.16 -0.75 0.19 5.19 -1.32 -2.94 116.42 117.17 2kwl h ASP 74 Ca 0.64 -0.18 0.12 0.00 -0.62 0.00 0.00 57.03 56.99 2kwl h ASP 74 Cb 1.22 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 40.69 2kwl h ASP 74 CO -0.49 0.09 0.34 0.58 -3.12 0.00 0.00 179.24 176.64 2kwl h VAL 75 N -0.42 0.75 0.23 -1.35 2.07 -1.14 0.29 116.25 116.68 2kwl h VAL 75 Ca -0.02 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2kwl h VAL 75 Cb 0.33 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2kwl h VAL 75 CO 0.03 0.10 -0.48 0.58 0.02 0.00 0.00 177.57 177.82 2kwl h VAL 76 N 0.53 0.06 0.00 2.57 2.07 -1.16 0.14 116.25 120.47 2kwl h VAL 76 Ca 0.39 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.90 2kwl h VAL 76 Cb 0.52 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2kwl h VAL 76 CO -0.34 0.00 -0.08 -0.55 0.02 0.00 0.00 177.57 176.62 2kwl h ASN 77 N -0.79 0.00 0.45 0.57 7.08 -1.28 -2.43 115.58 119.19 2kwl h ASN 77 Ca -0.01 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.19 2kwl h ASN 77 Cb 0.76 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.01 2kwl h ASN 77 CO -0.21 0.08 -0.22 -0.26 -2.08 0.00 0.00 177.43 174.75 2kwl h PHE 78 N 0.00 -0.56 0.00 4.14 -1.00 0.82 -2.94 116.94 117.39 2kwl h PHE 78 Ca -0.00 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2kwl h PHE 78 Cb 0.46 0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.20 2kwl h PHE 78 CO 0.00 -0.35 -0.02 0.82 -1.61 0.00 0.00 178.31 177.15 2kwl h ILE 79 N -1.04 0.27 0.22 -0.55 2.04 -0.78 0.61 117.51 118.28 2kwl h ILE 79 Ca -0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2kwl h ILE 79 Cb 0.47 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2kwl h ILE 79 CO 0.10 0.02 -0.11 0.11 0.00 0.00 0.00 178.15 178.27 2kwl h LYS 80 N 0.00 -0.29 0.00 2.37 1.57 -1.43 -3.15 116.57 115.65 2kwl h LYS 80 Ca -0.00 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2kwl h LYS 80 Cb 0.09 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2kwl h LYS 80 CO 0.00 -0.02 -0.38 1.57 -0.57 0.00 0.00 179.45 180.06 2kwl h LYS 81 N -0.55 0.00 -0.87 3.15 2.10 -1.29 0.11 116.57 119.21 2kwl h LYS 81 Ca -0.03 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.77 2kwl h LYS 81 Cb 0.41 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.67 2kwl h LYS 81 CO 0.05 0.37 0.56 -0.09 -2.00 0.00 0.00 179.45 178.35 2kwl h ARG 82 N 0.00 0.60 0.00 0.07 2.43 -0.85 -3.24 114.38 113.39 2kwl h ARG 82 Ca -0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2kwl h ARG 82 Cb 1.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2kwl h ARG 82 CO 0.05 0.40 -1.37 1.17 -1.51 0.00 0.00 179.97 178.70 2kwl n LYS 83 N -4.55 0.47 0.00 0.20 0.00 -1.20 -5.08 118.16 108.00 2kwl n LYS 83 Ca 0.17 0.03 0.06 0.00 0.00 0.00 0.00 58.31 58.57 2kwl n LYS 83 Cb 0.50 -1.13 0.05 0.00 0.00 0.00 0.00 35.03 34.45 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81