#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 0.80 0.00 1.61 0.04 -1.26 -4.12 135.00 132.08 2kwl s PRO 2 Ca 0.00 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2kwl s PRO 2 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2kwl s PRO 2 CO 0.00 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2kwl n GLY 3 N -1.11 3.38 3.60 0.56 0.00 -1.26 -5.04 105.19 105.32 2kwl n GLY 3 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2kwl n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kwl s SER 4 N -1.03 6.20 -0.03 1.61 0.01 -1.26 -4.90 113.70 114.30 2kwl s SER 4 Ca 0.00 0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.50 2kwl s SER 4 Cb 0.00 -2.19 -0.06 0.00 0.21 0.00 0.00 66.02 63.98 2kwl s SER 4 CO 0.00 -0.17 0.04 0.23 0.41 0.00 0.00 173.24 173.75 2kwl n MET 5 N 5.28 2.34 0.00 12.44 2.81 -1.26 -4.69 117.12 134.05 2kwl n MET 5 Ca -0.10 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2kwl n MET 5 Cb 0.51 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 2kwl n MET 5 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kwl n ASP 6 N -2.00 1.95 -0.13 7.83 2.03 -1.26 -4.43 116.55 120.55 2kwl n ASP 6 Ca -0.05 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.22 2kwl n ASP 6 Cb 0.47 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.90 2kwl n ASP 6 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2kwl h ASN 7 N 0.00 -0.26 -0.00 1.67 -1.24 -1.90 0.35 115.58 114.20 2kwl h ASN 7 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2kwl h ASN 7 Cb 0.97 0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2kwl h ASN 7 CO 0.00 -0.09 0.00 -0.67 -1.29 0.00 0.00 177.43 175.38 2kwl n ASP 8 N -5.25 0.23 -0.00 1.15 -0.08 -1.26 -3.04 116.55 108.29 2kwl n ASP 8 Ca 0.03 -1.12 0.08 0.00 -1.51 0.00 0.00 54.79 52.28 2kwl n ASP 8 Cb 0.23 -0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.57 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2kwl n GLU 9 N -0.80 0.96 -0.03 -0.67 2.13 0.94 -4.46 120.64 118.71 2kwl n GLU 9 Ca 0.22 -0.07 -0.09 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 0.31 -0.13 6.31 2.04 -0.61 0.27 117.51 125.71 2kwl h ILE 10 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2kwl h ILE 10 Cb 0.59 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2kwl h ILE 10 CO 0.00 0.00 -0.20 2.19 0.00 0.00 0.00 178.15 180.14 2kwl h PHE 11 N -0.33 0.23 -0.10 1.37 -0.00 -1.80 -1.54 116.94 114.77 2kwl h PHE 11 Ca 0.12 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 58.04 2kwl h PHE 11 Cb 0.52 -0.06 -0.00 0.00 -0.00 0.00 0.00 35.95 36.40 2kwl h PHE 11 CO -0.42 0.41 0.00 1.03 -0.00 0.00 0.00 178.31 179.33 2kwl h SER 12 N 0.20 0.17 -0.33 -0.68 0.87 -1.35 0.23 113.55 112.66 2kwl h SER 12 Ca 0.04 -0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2kwl h SER 12 Cb 0.47 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2kwl h SER 12 CO 0.03 0.44 0.04 0.50 -0.53 0.00 0.00 176.83 177.31 2kwl h LYS 13 N -0.09 0.55 -0.34 2.24 1.63 -0.39 -1.01 116.57 119.16 2kwl h LYS 13 Ca 0.03 -0.16 -0.09 0.00 -0.85 0.00 0.00 60.65 59.58 2kwl h LYS 13 Cb 0.35 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2kwl h LYS 13 CO 0.00 0.65 -0.18 0.28 -3.45 0.00 0.00 179.45 176.76 2kwl h VAL 14 N 0.38 1.26 -0.25 2.00 2.07 -1.28 -3.06 116.25 117.37 2kwl h VAL 14 Ca 0.10 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 2kwl h VAL 14 Cb 0.37 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2kwl h VAL 14 CO 0.01 0.39 -0.09 -0.09 0.02 0.00 0.00 177.57 177.81 2kwl h ARG 15 N 0.56 0.51 -0.25 1.57 9.65 -0.38 -2.78 114.38 123.26 2kwl h ARG 15 Ca 0.09 -0.21 0.07 0.00 -1.10 0.00 0.00 59.98 58.84 2kwl h ARG 15 Cb 0.62 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2kwl h ARG 15 CO 0.04 0.74 0.33 1.03 2.80 0.00 0.00 179.97 184.92 2kwl h SER 16 N 0.24 0.00 0.24 -3.80 0.87 -1.08 0.41 113.55 110.43 2kwl h SER 16 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2kwl h SER 16 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2kwl h SER 16 CO 0.03 0.00 -0.11 0.40 -0.53 0.00 0.00 176.83 176.62 2kwl h ILE 17 N 0.00 0.78 0.00 2.23 2.04 -1.44 -3.27 117.51 117.84 2kwl h ILE 17 Ca 0.12 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 2kwl h ILE 17 Cb 0.77 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2kwl h ILE 17 CO -0.00 0.16 -0.72 0.16 0.00 0.00 0.00 178.15 177.75 2kwl h ILE 18 N -0.77 1.44 -1.05 -0.67 3.07 -1.36 -3.19 117.51 114.99 2kwl h ILE 18 Ca -0.03 -2.53 0.30 0.00 1.55 0.00 0.00 64.86 64.15 2kwl h ILE 18 Cb 0.51 2.39 -0.04 0.00 -0.27 0.00 0.00 36.82 39.41 2kwl h ILE 18 CO 0.05 0.71 0.76 0.77 -1.05 0.00 0.00 178.15 179.39 2kwl h SER 19 N 0.00 0.00 -0.46 2.16 4.64 -0.27 0.53 113.55 120.15 2kwl h SER 19 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2kwl h SER 19 Cb 1.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 2kwl h SER 19 CO 0.09 0.00 0.05 -0.08 -0.87 0.00 0.00 176.83 176.03 2kwl h GLU 20 N 0.00 0.78 0.00 4.77 4.81 -1.61 0.43 114.58 123.75 2kwl h GLU 20 Ca 0.50 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2kwl h GLU 20 Cb 2.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 2kwl h GLU 20 CO -0.01 0.80 -0.51 1.96 -0.73 0.00 0.00 179.01 180.53 2kwl h GLN 21 N 0.64 0.00 -0.14 1.92 1.08 -0.69 -3.35 115.11 114.56 2kwl h GLN 21 Ca 0.14 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2kwl h GLN 21 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2kwl h GLN 21 CO 0.01 0.69 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.47 2kwl h LEU 22 N -1.00 0.19 1.75 1.46 4.07 -0.26 -3.46 115.31 118.06 2kwl h LEU 22 Ca -0.12 -0.02 -0.42 0.00 0.08 0.00 0.00 57.88 57.40 2kwl h LEU 22 Cb 0.87 -0.05 -0.11 0.00 1.08 0.00 0.00 40.66 42.45 2kwl h LEU 22 CO -0.07 0.26 -0.44 -0.67 -1.08 0.00 0.00 178.44 176.44 2kwl n ASP 23 N -4.37 -5.64 -4.63 -0.43 2.03 0.15 -4.97 116.55 98.68 2kwl n ASP 23 Ca -0.01 0.30 -0.18 0.00 0.52 0.00 0.00 54.79 55.43 2kwl n ASP 23 Cb 0.19 -4.84 0.07 0.00 -0.72 0.00 0.00 41.12 35.82 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 -2.63 0.57 -4.02 -0.67 4.76 -1.25 -5.05 118.16 109.87 2kwl n LYS 24 Ca -0.22 -2.80 -0.33 0.00 -2.87 0.00 0.00 58.31 52.09 2kwl n LYS 24 Cb 0.68 -0.26 -0.06 0.00 -1.84 0.00 0.00 35.03 33.55 2kwl n LYS 24 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2kwl s LYS 25 N -4.44 3.19 0.38 1.97 0.00 -1.26 -4.84 119.74 114.74 2kwl s LYS 25 Ca 0.56 -0.46 0.27 0.00 0.00 0.00 0.00 55.97 56.35 2kwl s LYS 25 Cb -0.04 -2.93 1.29 0.00 0.00 0.00 0.00 37.83 36.15 2kwl s LYS 25 CO 0.36 0.64 1.83 1.05 0.00 0.00 0.00 175.35 179.23 2kwl h GLU 26 N 3.83 0.00 -0.28 1.78 -0.00 -1.99 -1.51 114.58 116.41 2kwl h GLU 26 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2kwl h GLU 26 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 2kwl h GLU 26 CO 0.66 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 176.20 2kwl n ASP 27 N -2.49 1.12 0.00 3.06 2.03 -1.26 -3.76 116.55 115.25 2kwl n ASP 27 Ca 0.00 -2.03 0.11 0.00 0.52 0.00 0.00 54.79 53.39 2kwl n ASP 27 Cb 0.16 -0.18 0.53 0.00 -0.72 0.00 0.00 41.12 40.91 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kwl n GLU 28 N 0.04 0.17 -1.51 -0.67 -0.58 -0.57 -4.80 120.64 112.73 2kwl n GLU 28 Ca 0.06 0.09 -0.48 0.00 -0.42 0.00 0.00 57.16 56.41 2kwl n GLU 28 Cb 0.20 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 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 -1.39 0.26 -3.58 -3.67 2.08 -1.25 -4.80 119.36 107.01 2kwl n ILE 29 Ca 0.08 -0.31 -0.07 0.00 0.56 0.00 0.00 62.75 63.02 2kwl n ILE 29 Cb 0.22 -1.94 -0.02 0.00 -0.75 0.00 0.00 39.64 37.16 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 7.42 0.00 -0.21 1.39 -1.32 -1.26 -4.96 115.64 116.70 2kwl s THR 30 Ca 1.06 -0.21 0.26 0.00 -1.21 0.00 0.00 61.69 61.59 2kwl s THR 30 Cb -0.69 -1.33 0.32 0.00 -1.51 0.00 0.00 72.50 69.30 2kwl s THR 30 CO 0.45 0.00 1.72 0.74 -2.21 0.00 0.00 174.62 175.32 2kwl h THR 31 N 2.00 0.12 -0.58 5.08 2.02 -1.97 -3.09 112.91 116.49 2kwl h THR 31 Ca -0.23 -0.97 -0.23 0.00 0.77 0.00 0.00 66.41 65.76 2kwl h THR 31 Cb 1.24 1.87 -0.14 0.00 -1.74 0.00 0.00 68.15 69.38 2kwl h THR 31 CO 0.29 0.06 0.29 0.47 0.37 0.00 0.00 175.52 177.00 2kwl n ASP 32 N -3.13 3.78 0.04 4.18 9.92 -1.26 -4.29 116.55 125.78 2kwl n ASP 32 Ca 0.03 -2.93 -0.00 0.00 -0.53 0.00 0.00 54.79 51.35 2kwl n ASP 32 Cb 0.47 -0.69 -0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kwl n SER 33 N -0.25 1.01 -1.34 -2.24 7.64 -1.17 -4.98 113.62 112.31 2kwl n SER 33 Ca 0.33 0.13 0.16 0.00 1.01 0.00 0.00 58.87 60.49 2kwl n SER 33 Cb 1.16 -0.31 -0.04 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 -2.31 0.21 1.43 1.74 -1.25 -1.53 116.66 111.48 2kwl n ARG 34 Ca -0.00 1.52 0.08 0.00 -0.77 0.00 0.00 57.85 58.68 2kwl n ARG 34 Cb 0.07 -2.82 0.46 0.00 -1.02 0.00 0.00 32.46 29.15 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 -1.06 0.00 0.04 -1.55 0.04 -1.90 0.71 116.94 113.22 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 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2kwl h PHE 35 CO 0.00 0.28 -0.02 -0.39 -0.60 0.00 0.00 178.31 177.58 2kwl h VAL 36 N 0.00 1.07 0.00 -0.55 -1.51 -1.68 -0.13 116.25 113.44 2kwl h VAL 36 Ca -0.00 -0.34 -0.03 0.00 -1.23 0.00 0.00 66.70 65.10 2kwl h VAL 36 Cb 0.69 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2kwl h VAL 36 CO 0.04 0.09 -0.33 -0.33 -1.23 0.00 0.00 177.57 175.80 2kwl h GLU 37 N -0.20 0.00 0.70 5.19 5.08 -1.22 -3.40 114.58 120.72 2kwl h GLU 37 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kwl h GLU 37 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kwl h GLU 37 CO 0.01 0.28 -0.50 0.22 -1.00 0.00 0.00 179.01 178.02 2kwl h ASP 38 N -1.00 -1.30 -2.81 1.42 1.82 -0.88 -3.44 116.42 110.23 2kwl h ASP 38 Ca -0.05 0.08 -0.46 0.00 -0.39 0.00 0.00 57.03 56.22 2kwl h ASP 38 Cb 0.48 0.40 0.09 0.00 0.68 0.00 0.00 39.33 40.98 2kwl h ASP 38 CO -0.03 -0.73 0.15 -0.76 -1.61 0.00 0.00 179.24 176.26 2kwl s LEU 39 N -10.07 2.96 -0.60 2.28 1.43 -0.06 -5.02 118.68 109.60 2kwl s LEU 39 Ca -0.19 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2kwl s LEU 39 Cb 0.03 -2.41 0.41 0.00 0.03 0.00 0.00 46.19 44.25 2kwl s LEU 39 CO 0.60 -1.81 1.64 -0.46 0.23 0.00 0.00 176.35 176.56 2kwl n ASN 40 N -2.90 6.37 -3.42 2.29 0.23 -1.24 -4.32 115.26 112.27 2kwl n ASN 40 Ca 0.12 -3.78 -0.05 0.00 -0.53 0.00 0.00 54.58 50.34 2kwl n ASN 40 Cb 0.60 -0.75 0.01 0.00 -2.08 0.00 0.00 39.78 37.55 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 -3.79 -1.33 0.21 -2.53 0.00 -1.25 -5.10 121.76 107.97 2kwl s ALA 41 Ca 0.54 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2kwl s ALA 41 Cb 0.44 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 24.25 2kwl s ALA 41 CO -0.17 -1.04 0.33 -0.51 0.00 0.00 0.00 175.76 174.37 2kwl s ASP 42 N -3.13 6.32 0.60 0.00 1.01 -1.26 -3.43 116.67 116.78 2kwl s ASP 42 Ca 0.16 0.10 0.28 0.00 0.71 0.00 0.00 52.55 53.81 2kwl s ASP 42 Cb -0.03 -1.87 1.46 0.00 1.01 0.00 0.00 42.92 43.48 2kwl s ASP 42 CO 0.06 -0.03 1.87 -1.28 0.21 0.00 0.00 175.17 176.00 2kwl h SER 43 N 1.51 0.00 -0.44 0.27 0.87 -1.97 -1.22 113.55 112.56 2kwl h SER 43 Ca -0.51 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.14 2kwl h SER 43 Cb 1.22 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.10 2kwl h SER 43 CO 0.64 0.00 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.78 2kwl h LEU 44 N 0.00 -0.36 0.00 2.23 3.38 -2.01 0.31 115.31 118.86 2kwl h LEU 44 Ca 0.20 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 2kwl h LEU 44 Cb 1.19 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2kwl h LEU 44 CO -0.00 -0.13 -0.40 0.44 0.09 0.00 0.00 178.44 178.44 2kwl h ASP 45 N 0.02 0.00 0.64 -0.43 3.32 -1.63 -3.23 116.42 115.11 2kwl h ASP 45 Ca 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 2kwl h ASP 45 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2kwl h ASP 45 CO -0.43 0.38 -0.56 0.40 -1.72 0.00 0.00 179.24 177.30 2kwl h ILE 46 N 0.00 1.33 -0.40 0.35 1.08 -0.89 -3.27 117.51 115.71 2kwl h ILE 46 Ca -0.01 -1.96 0.07 0.00 -0.39 0.00 0.00 64.86 62.58 2kwl h ILE 46 Cb 1.29 2.08 -0.09 0.00 -3.07 0.00 0.00 36.82 37.03 2kwl h ILE 46 CO 0.05 0.55 -0.39 0.22 -0.69 0.00 0.00 178.15 177.89 2kwl h TYR 47 N 0.00 -1.11 0.00 1.37 5.03 -0.47 0.30 116.97 122.10 2kwl h TYR 47 Ca -0.01 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 2kwl h TYR 47 Cb 1.03 0.54 -0.00 0.00 1.55 0.00 0.00 36.73 39.85 2kwl h TYR 47 CO 0.00 -0.42 -0.07 0.93 -1.32 0.00 0.00 178.16 177.28 2kwl h GLU 48 N -0.30 0.00 0.86 1.82 5.08 -1.76 0.27 114.58 120.54 2kwl h GLU 48 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2kwl h GLU 48 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 2kwl h GLU 48 CO -0.56 0.07 -0.41 1.25 -1.00 0.00 0.00 179.01 178.36 2kwl h LEU 49 N 0.00 -0.98 -0.77 1.33 5.85 -0.51 -1.13 115.31 119.10 2kwl h LEU 49 Ca -0.00 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2kwl h LEU 49 Cb 0.14 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2kwl h LEU 49 CO 0.01 -0.65 -0.58 0.17 -0.34 0.00 0.00 178.44 177.05 2kwl h LEU 50 N -1.26 0.12 0.07 2.25 8.10 -1.15 -1.77 115.31 121.68 2kwl h LEU 50 Ca -0.12 -0.07 -0.00 0.00 0.11 0.00 0.00 57.88 57.80 2kwl h LEU 50 Cb 0.88 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.07 2kwl h LEU 50 CO 0.19 0.67 -0.04 0.22 -4.11 0.00 0.00 178.44 175.38 2kwl h TYR 51 N 0.08 -0.10 0.00 0.17 3.20 -0.45 -0.97 116.97 118.90 2kwl h TYR 51 Ca -0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2kwl h TYR 51 Cb 1.05 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2kwl h TYR 51 CO 0.01 -0.06 -0.52 -0.07 -1.64 0.00 0.00 178.16 175.87 2kwl h LEU 52 N -0.10 0.00 0.09 2.82 4.07 -1.21 -3.08 115.31 117.89 2kwl h LEU 52 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kwl h LEU 52 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 2kwl h LEU 52 CO 0.01 0.52 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.78 2kwl h LEU 53 N 0.00 -0.10 -1.74 1.67 4.07 -0.97 -2.78 115.31 115.46 2kwl h LEU 53 Ca -0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 2kwl h LEU 53 Cb 1.14 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 2kwl h LEU 53 CO 0.07 0.14 -0.09 1.05 -1.08 0.00 0.00 178.44 178.52 2kwl h GLU 54 N -0.34 0.05 0.00 1.13 4.11 -1.23 -1.32 114.58 116.98 2kwl h GLU 54 Ca -0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 2kwl h GLU 54 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kwl h GLU 54 CO 0.02 0.15 -0.18 1.49 0.07 0.00 0.00 179.01 180.56 2kwl h GLU 55 N 0.05 0.00 0.00 1.06 4.81 -1.41 0.15 114.58 119.24 2kwl h GLU 55 Ca 0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2kwl h GLU 55 Cb 0.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kwl h GLU 55 CO 0.01 0.18 -0.17 0.00 -0.73 0.00 0.00 179.01 178.31 2kwl h ALA 56 N 1.82 0.91 -0.04 2.92 0.00 -0.98 -3.23 119.26 120.67 2kwl h ALA 56 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kwl h ALA 56 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kwl h ALA 56 CO 0.02 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.52 2kwl n PHE 57 N -3.06 0.03 -3.19 0.00 3.72 -0.78 -5.03 117.46 109.14 2kwl n PHE 57 Ca 0.03 -0.03 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2kwl n PHE 57 Cb 0.55 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.10 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 0.76 -7.02 -3.62 4.37 8.00 0.46 -5.03 116.55 114.47 2kwl n ASP 58 Ca 0.08 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 2kwl n ASP 58 Cb 0.34 -4.21 -0.07 0.00 -0.02 0.00 0.00 41.12 37.16 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 -2.70 -0.54 0.03 -2.24 1.47 -0.99 -5.04 116.67 106.65 2kwl s ASP 59 Ca 0.12 0.96 -0.30 0.00 1.18 0.00 0.00 52.55 54.51 2kwl s ASP 59 Cb -0.02 0.94 -0.04 0.00 -0.34 0.00 0.00 42.92 43.46 2kwl s ASP 59 CO 0.80 -0.25 1.07 -0.54 0.68 0.00 0.00 175.17 176.94 2kwl s LYS 60 N -0.03 4.51 -0.05 2.11 1.02 -1.26 -4.56 119.74 121.47 2kwl s LYS 60 Ca 0.00 1.57 -0.16 0.00 0.02 0.00 0.00 55.97 57.41 2kwl s LYS 60 Cb -0.04 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.76 2kwl s LYS 60 CO -0.02 -0.14 0.64 0.82 -0.92 0.00 0.00 175.35 175.73 2kwl h ILE 61 N 4.67 0.31 0.00 2.17 1.08 -1.95 0.31 117.51 124.09 2kwl h ILE 61 Ca -0.41 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.21 2kwl h ILE 61 Cb 1.22 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2kwl h ILE 61 CO 0.78 0.08 0.00 -0.81 -0.69 0.00 0.00 178.15 177.51 2kwl n PRO 62 N -5.02 0.30 -0.01 2.37 -0.04 -1.26 -0.20 135.00 131.14 2kwl n PRO 62 Ca -0.06 0.10 -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 32.16 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 -1.20 0.12 0.11 0.54 4.07 -1.22 -4.43 120.64 118.63 2kwl n GLU 63 Ca 0.08 0.05 -0.05 0.00 -0.06 0.00 0.00 57.16 57.18 2kwl n GLU 63 Cb 0.10 -0.57 -0.02 0.00 -0.06 0.00 0.00 31.44 30.89 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 -0.22 -0.29 -0.06 4.31 -1.24 -0.51 -3.27 115.58 114.30 2kwl h ASN 64 Ca 0.00 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.04 2kwl h ASN 64 Cb 0.22 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.34 2kwl h ASN 64 CO 0.00 0.06 0.08 -0.33 -1.29 0.00 0.00 177.43 175.95 2kwl h GLU 65 N -0.88 0.00 0.00 6.67 3.07 -0.90 0.49 114.58 123.03 2kwl h GLU 65 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2kwl h GLU 65 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2kwl h GLU 65 CO 0.06 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 2kwl n ALA 66 N -2.27 1.38 0.28 3.43 0.00 0.72 -1.96 120.51 122.09 2kwl n ALA 66 Ca -0.02 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2kwl n ALA 66 Cb 0.17 -1.23 0.80 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.04 0.00 7.08 -0.99 -3.29 115.58 118.34 2kwl h ASN 67 Ca 0.00 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.03 2kwl h ASN 67 Cb 0.17 0.00 -0.17 0.00 -2.08 0.00 0.00 38.32 36.24 2kwl h ASN 67 CO 0.00 0.00 -0.35 1.21 -2.08 0.00 0.00 177.43 176.21 2kwl n GLU 68 N -4.15 1.34 -3.63 4.14 4.07 -0.98 -5.14 120.64 116.29 2kwl n GLU 68 Ca -0.03 -1.52 -0.33 0.00 -0.06 0.00 0.00 57.16 55.22 2kwl n GLU 68 Cb 0.08 0.17 -0.05 0.00 -0.06 0.00 0.00 31.44 31.59 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2kwl s PHE 69 N -0.11 3.51 0.14 4.31 5.36 -0.83 -4.89 117.98 125.48 2kwl s PHE 69 Ca 0.14 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 2kwl s PHE 69 Cb 0.43 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 41.04 2kwl s PHE 69 CO -0.11 0.46 0.00 -1.91 -1.46 0.00 0.00 175.22 172.20 2kwl n GLU 70 N 0.40 0.00 -3.69 10.12 4.07 -1.26 -4.99 120.64 125.28 2kwl n GLU 70 Ca -0.05 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.89 2kwl n GLU 70 Cb 0.52 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.84 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 -2.78 0.00 -0.31 6.31 -2.24 -1.26 -5.02 114.28 108.98 2kwl n THR 71 Ca 0.00 -1.77 0.11 0.00 -2.27 0.00 0.00 64.05 60.13 2kwl n THR 71 Cb 0.00 0.77 0.28 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.65 0.60 -1.03 2.28 2.07 -1.90 0.56 116.25 120.48 2kwl h VAL 72 Ca -0.20 -0.18 0.26 0.00 0.82 0.00 0.00 66.70 67.40 2kwl h VAL 72 Cb 0.88 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 2kwl h VAL 72 CO 0.30 0.10 0.66 1.23 0.02 0.00 0.00 177.57 179.88 2kwl h GLY 73 N 0.53 1.33 0.85 2.17 0.00 -1.93 0.71 103.07 106.73 2kwl h GLY 73 Ca 0.53 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 2kwl h GLY 73 CO -0.45 -0.15 -0.11 -0.55 0.00 0.00 0.00 176.54 175.28 2kwl h ASP 74 N 0.43 0.51 -0.35 0.19 5.19 -1.22 -2.88 116.42 118.28 2kwl h ASP 74 Ca 0.60 -0.41 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 2kwl h ASP 74 Cb 1.45 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 2kwl h ASP 74 CO -0.33 0.81 0.09 0.58 -3.12 0.00 0.00 179.24 177.27 2kwl h VAL 75 N 0.22 1.20 0.56 -1.35 2.07 -0.89 0.15 116.25 118.21 2kwl h VAL 75 Ca 0.05 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2kwl h VAL 75 Cb 0.61 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2kwl h VAL 75 CO 0.03 0.26 -0.27 0.58 0.02 0.00 0.00 177.57 178.20 2kwl h VAL 76 N 0.63 0.45 0.00 2.57 2.07 -0.97 -1.22 116.25 119.77 2kwl h VAL 76 Ca 0.14 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2kwl h VAL 76 Cb 0.26 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2kwl h VAL 76 CO -0.00 0.01 -0.13 -0.55 0.02 0.00 0.00 177.57 176.91 2kwl h ASN 77 N -0.77 0.00 0.58 0.57 7.08 -1.41 -2.96 115.58 118.66 2kwl h ASN 77 Ca -0.08 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.11 2kwl h ASN 77 Cb 0.59 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.83 2kwl h ASN 77 CO 0.13 0.13 -0.28 -0.26 -2.08 0.00 0.00 177.43 175.07 2kwl h PHE 78 N 0.00 -0.72 -0.07 4.14 -1.00 -0.39 -2.91 116.94 115.99 2kwl h PHE 78 Ca -0.00 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.78 2kwl h PHE 78 Cb 0.73 0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 2kwl h PHE 78 CO 0.00 -0.45 0.07 0.82 -1.61 0.00 0.00 178.31 177.14 2kwl h ILE 79 N -1.11 0.58 0.25 -0.55 2.04 -1.29 0.18 117.51 117.60 2kwl h ILE 79 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2kwl h ILE 79 Cb 0.60 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2kwl h ILE 79 CO 0.13 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.27 2kwl h LYS 80 N 0.00 -0.32 0.00 2.37 1.57 -1.46 0.61 116.57 119.34 2kwl h LYS 80 Ca 0.03 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 2kwl h LYS 80 Cb 0.17 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2kwl h LYS 80 CO -0.00 -0.14 -0.80 1.57 -0.57 0.00 0.00 179.45 179.51 2kwl h LYS 81 N -0.43 0.00 0.00 3.15 2.10 -1.24 0.68 116.57 120.83 2kwl h LYS 81 Ca -0.03 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.52 2kwl h LYS 81 Cb 0.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.64 2kwl h LYS 81 CO 0.06 0.80 -0.45 0.00 -2.00 0.00 0.00 179.45 177.85 2kwl h ARG 82 N 0.00 0.00 0.00 0.07 3.08 -0.57 -3.23 114.38 113.73 2kwl h ARG 82 Ca -0.01 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.67 2kwl h ARG 82 Cb 1.62 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.60 2kwl h ARG 82 CO 0.10 0.45 -2.37 1.17 -1.07 0.00 0.00 179.97 178.26 2kwl n LYS 83 N -3.84 0.68 0.00 0.04 3.00 0.20 -5.04 118.16 113.20 2kwl n LYS 83 Ca -0.01 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.48 2kwl n LYS 83 Cb 0.50 -1.54 0.15 0.00 0.00 0.00 0.00 35.03 34.14 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81