#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwl n PRO 2 N 0.00 -2.50 0.00 1.61 -0.04 -1.26 -4.82 135.00 127.99 2kwl n PRO 2 Ca 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 2kwl n PRO 2 Cb 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2kwl n PRO 2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kwl n GLY 3 N -2.55 2.83 3.79 0.55 0.00 -1.26 -4.91 105.19 103.64 2kwl n GLY 3 Ca 0.10 -0.33 -0.23 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 -0.82 -4.91 1.61 7.64 -1.26 -4.98 113.62 110.90 2kwl n SER 4 Ca 0.00 -0.89 -0.22 0.00 1.01 0.00 0.00 58.87 58.77 2kwl n SER 4 Cb 0.00 -3.69 -0.03 0.00 -1.01 0.00 0.00 64.21 59.48 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 -6.19 3.24 0.60 1.43 -1.94 -1.26 -4.99 119.30 110.19 2kwl s MET 5 Ca 0.00 -0.85 0.31 0.00 -1.71 0.00 0.00 55.69 53.44 2kwl s MET 5 Cb -0.00 -2.77 1.80 0.00 2.01 0.00 0.00 34.83 35.87 2kwl s MET 5 CO 0.84 0.43 2.19 -0.44 -0.01 0.00 0.00 175.02 178.03 2kwl h ASP 6 N 1.42 0.00 -0.39 3.03 5.19 -1.97 -2.54 116.42 121.17 2kwl h ASP 6 Ca -0.50 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 55.99 2kwl h ASP 6 Cb 1.23 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.65 2kwl h ASP 6 CO 0.62 0.00 -0.21 -1.13 -3.12 0.00 0.00 179.24 175.40 2kwl h ASN 7 N 0.00 -0.70 -0.41 6.45 -1.24 -1.94 0.20 115.58 117.94 2kwl h ASN 7 Ca 0.04 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2kwl h ASN 7 Cb 0.24 0.37 0.00 0.00 0.73 0.00 0.00 38.32 39.66 2kwl h ASN 7 CO -0.00 -0.24 0.00 -0.90 -1.29 0.00 0.00 177.43 175.00 2kwl n ASP 8 N -5.38 2.97 -0.04 1.15 5.75 -0.97 -3.80 116.55 116.23 2kwl n ASP 8 Ca 0.02 -2.21 0.02 0.00 -0.01 0.00 0.00 54.79 52.60 2kwl n ASP 8 Cb 0.29 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 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 0.65 0.90 0.17 0.11 4.07 0.58 -3.97 120.64 123.15 2kwl n GLU 9 Ca 0.16 -0.09 -0.13 0.00 -0.06 0.00 0.00 57.16 57.04 2kwl n GLU 9 Cb 0.55 -1.40 -0.08 0.00 -0.06 0.00 0.00 31.44 30.45 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 0.60 -0.06 6.31 2.04 -1.28 0.28 117.51 125.40 2kwl h ILE 10 Ca -0.18 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 2kwl h ILE 10 Cb 1.28 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2kwl h ILE 10 CO 0.01 0.11 -0.35 2.19 0.00 0.00 0.00 178.15 180.10 2kwl h PHE 11 N -0.84 0.13 -0.02 1.37 -0.00 -1.81 -1.75 116.94 114.03 2kwl h PHE 11 Ca -0.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.86 2kwl h PHE 11 Cb 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.45 2kwl h PHE 11 CO 0.03 0.46 -0.13 0.66 -0.00 0.00 0.00 178.31 179.32 2kwl h SER 12 N 0.10 0.15 0.24 -0.68 4.64 -1.68 -1.69 113.55 114.63 2kwl h SER 12 Ca 0.01 -0.69 -0.01 0.00 -0.47 0.00 0.00 61.79 60.63 2kwl h SER 12 Cb 0.68 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2kwl h SER 12 CO 0.05 0.82 -0.11 0.50 -0.87 0.00 0.00 176.83 177.21 2kwl h LYS 13 N -0.50 -0.31 -0.39 4.77 3.64 -0.38 -0.59 116.57 122.81 2kwl h LYS 13 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2kwl h LYS 13 Cb 0.82 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2kwl h LYS 13 CO 0.03 -0.19 0.15 0.28 -2.27 0.00 0.00 179.45 177.45 2kwl h VAL 14 N -0.33 1.15 -0.47 2.00 2.07 -1.43 -2.37 116.25 116.87 2kwl h VAL 14 Ca -0.03 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 2kwl h VAL 14 Cb 0.25 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2kwl h VAL 14 CO 0.05 0.19 -0.16 -0.09 0.02 0.00 0.00 177.57 177.58 2kwl h ARG 15 N 0.56 0.90 -0.26 1.57 9.65 -0.94 -2.65 114.38 123.22 2kwl h ARG 15 Ca 0.14 -0.34 0.07 0.00 -1.10 0.00 0.00 59.98 58.75 2kwl h ARG 15 Cb 0.12 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2kwl h ARG 15 CO -0.01 0.99 0.27 1.03 2.80 0.00 0.00 179.97 185.05 2kwl h SER 16 N 0.80 0.00 0.09 -3.80 0.87 -0.56 0.49 113.55 111.44 2kwl h SER 16 Ca 0.12 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kwl h SER 16 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2kwl h SER 16 CO 0.05 0.00 -0.04 0.40 -0.53 0.00 0.00 176.83 176.71 2kwl h ILE 17 N 0.00 0.70 0.00 2.23 5.03 -1.48 -3.33 117.51 120.66 2kwl h ILE 17 Ca 0.12 -1.32 -0.06 0.00 -0.12 0.00 0.00 64.86 63.47 2kwl h ILE 17 Cb 0.66 1.27 -0.01 0.00 -3.03 0.00 0.00 36.82 35.71 2kwl h ILE 17 CO -0.00 0.22 -0.30 0.16 -0.68 0.00 0.00 178.15 177.54 2kwl h ILE 18 N -0.97 1.14 -1.01 -0.67 3.07 -1.38 -2.75 117.51 114.95 2kwl h ILE 18 Ca -0.01 -1.06 0.29 0.00 1.55 0.00 0.00 64.86 65.63 2kwl h ILE 18 Cb 0.45 1.58 -0.04 0.00 -0.27 0.00 0.00 36.82 38.54 2kwl h ILE 18 CO 0.02 0.30 0.76 0.77 -1.05 0.00 0.00 178.15 178.95 2kwl h SER 19 N 0.00 0.00 -0.12 2.16 4.64 -0.15 0.57 113.55 120.65 2kwl h SER 19 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kwl h SER 19 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2kwl h SER 19 CO 0.04 0.00 0.06 -0.08 -0.87 0.00 0.00 176.83 175.98 2kwl h GLU 20 N 0.00 0.18 0.00 4.77 4.81 -1.63 0.46 114.58 123.17 2kwl h GLU 20 Ca 0.48 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.57 2kwl h GLU 20 Cb 2.01 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.34 2kwl h GLU 20 CO -0.01 0.25 -0.59 1.96 -0.73 0.00 0.00 179.01 179.90 2kwl h GLN 21 N 0.07 0.00 -0.17 1.92 7.50 -0.99 -3.35 115.11 120.09 2kwl h GLN 21 Ca 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.18 2kwl h GLN 21 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 2kwl h GLN 21 CO -0.00 0.97 0.03 -0.07 -1.50 0.00 0.00 178.83 178.26 2kwl h LEU 22 N -1.00 0.21 2.14 1.46 4.07 -0.11 -3.46 115.31 118.63 2kwl h LEU 22 Ca -0.16 -0.02 -0.26 0.00 0.08 0.00 0.00 57.88 57.52 2kwl h LEU 22 Cb 1.12 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 2kwl h LEU 22 CO -0.10 0.24 -0.34 -0.67 -1.08 0.00 0.00 178.44 176.48 2kwl n ASP 23 N -4.42 -3.72 -3.81 -0.43 2.03 0.16 -4.93 116.55 101.43 2kwl n ASP 23 Ca -0.00 0.10 -0.16 0.00 0.52 0.00 0.00 54.79 55.25 2kwl n ASP 23 Cb 0.15 -3.15 0.01 0.00 -0.72 0.00 0.00 41.12 37.40 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 -2.98 0.95 -4.03 -0.67 4.76 -1.26 -5.07 118.16 109.87 2kwl n LYS 24 Ca -0.11 -2.17 -0.33 0.00 -2.87 0.00 0.00 58.31 52.83 2kwl n LYS 24 Cb 0.59 0.19 -0.06 0.00 -1.84 0.00 0.00 35.03 33.91 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 -3.46 3.20 0.45 1.97 3.01 -1.26 -4.89 119.74 118.76 2kwl s LYS 25 Ca 0.22 -0.42 0.31 0.00 -1.01 0.00 0.00 55.97 55.07 2kwl s LYS 25 Cb -0.02 -2.95 1.46 0.00 -1.01 0.00 0.00 37.83 35.31 2kwl s LYS 25 CO 0.14 0.66 1.93 1.05 0.51 0.00 0.00 175.35 179.64 2kwl h GLU 26 N 4.02 0.00 -0.30 1.68 -0.00 -1.99 -1.38 114.58 116.61 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 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.94 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 -2.68 1.38 0.00 3.06 2.03 -1.26 -3.82 116.55 115.27 2kwl n ASP 27 Ca -0.00 -2.03 0.12 0.00 0.52 0.00 0.00 54.79 53.39 2kwl n ASP 27 Cb 0.18 -0.20 0.59 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.18 0.33 -1.48 -0.67 -0.58 -0.52 -4.81 120.64 113.09 2kwl n GLU 28 Ca 0.08 0.06 -0.50 0.00 -0.42 0.00 0.00 57.16 56.38 2kwl n GLU 28 Cb 0.23 -1.50 -0.07 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 -1.29 0.22 -3.56 -3.67 2.08 -1.25 -4.81 119.36 107.09 2kwl n ILE 29 Ca 0.11 -0.25 -0.07 0.00 0.56 0.00 0.00 62.75 63.10 2kwl n ILE 29 Cb 0.19 -1.69 -0.02 0.00 -0.75 0.00 0.00 39.64 37.37 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 7.00 0.00 -1.15 1.39 -1.32 -1.26 -4.96 115.64 115.34 2kwl s THR 30 Ca 1.08 -0.13 0.29 0.00 -1.21 0.00 0.00 61.69 61.72 2kwl s THR 30 Cb -0.83 -1.21 0.32 0.00 -1.51 0.00 0.00 72.50 69.27 2kwl s THR 30 CO 0.49 0.00 1.94 0.35 -2.21 0.00 0.00 174.62 175.19 2kwl n THR 31 N -0.28 0.00 -1.10 5.08 -2.24 -1.26 -3.19 114.28 111.29 2kwl n THR 31 Ca -0.08 -0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.66 2kwl n THR 31 Cb 0.61 -0.45 0.28 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.42 4.38 0.01 3.42 -0.08 -1.26 -4.47 116.55 117.13 2kwl n ASP 32 Ca 0.09 -3.28 0.00 0.00 -1.51 0.00 0.00 54.79 50.09 2kwl n ASP 32 Cb 0.31 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.06 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kwl n SER 33 N -0.37 0.19 -1.32 1.67 7.64 -1.19 -5.01 113.62 115.23 2kwl n SER 33 Ca 0.38 0.03 0.18 0.00 1.01 0.00 0.00 58.87 60.47 2kwl n SER 33 Cb 1.29 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 64.39 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 -3.07 -2.61 0.16 1.43 1.74 -1.25 -1.59 116.66 111.46 2kwl n ARG 34 Ca 0.00 1.72 0.01 0.00 -0.77 0.00 0.00 57.85 58.82 2kwl n ARG 34 Cb 0.39 -3.19 0.34 0.00 -1.02 0.00 0.00 32.46 28.98 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 -1.20 0.10 -0.11 -1.55 0.04 -1.90 0.18 116.94 112.50 2kwl h PHE 35 Ca 0.03 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2kwl h PHE 35 Cb 1.18 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 2kwl h PHE 35 CO 0.00 0.42 -0.01 -0.39 -0.60 0.00 0.00 178.31 177.74 2kwl h VAL 36 N 0.08 0.92 0.00 -0.55 -1.51 -1.70 0.19 116.25 113.68 2kwl h VAL 36 Ca 0.01 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 2kwl h VAL 36 Cb 0.64 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2kwl h VAL 36 CO 0.05 0.01 -0.35 -0.08 -1.23 0.00 0.00 177.57 175.97 2kwl h GLU 37 N 0.03 0.00 0.51 5.19 4.57 -1.19 -3.41 114.58 120.27 2kwl h GLU 37 Ca 0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2kwl h GLU 37 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2kwl h GLU 37 CO -0.09 0.34 -0.26 0.22 -1.18 0.00 0.00 179.01 178.04 2kwl h ASP 38 N -1.00 -0.62 -4.15 1.04 3.58 -0.67 -3.45 116.42 111.15 2kwl h ASP 38 Ca -0.05 0.02 -0.45 0.00 0.42 0.00 0.00 57.03 56.97 2kwl h ASP 38 Cb 0.53 0.17 0.15 0.00 1.72 0.00 0.00 39.33 41.90 2kwl h ASP 38 CO -0.03 -0.43 0.42 -0.76 -2.88 0.00 0.00 179.24 175.56 2kwl s LEU 39 N -7.17 2.65 -0.63 2.28 1.02 0.65 -4.95 118.68 112.54 2kwl s LEU 39 Ca -0.10 0.39 0.02 0.00 0.02 0.00 0.00 54.13 54.45 2kwl s LEU 39 Cb 0.01 -2.52 0.39 0.00 0.02 0.00 0.00 46.19 44.08 2kwl s LEU 39 CO 0.31 -2.56 1.51 -0.46 0.02 0.00 0.00 176.35 175.17 2kwl n ASN 40 N -3.68 5.95 -2.66 2.29 0.23 -1.24 -4.39 115.26 111.75 2kwl n ASN 40 Ca 0.14 -3.77 -0.02 0.00 -0.53 0.00 0.00 54.58 50.40 2kwl n ASN 40 Cb 0.60 -0.73 0.01 0.00 -2.08 0.00 0.00 39.78 37.58 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kwl n ALA 41 N -0.49 -1.96 -2.83 -2.53 0.00 -1.25 -5.10 120.51 106.34 2kwl n ALA 41 Ca 0.45 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 2kwl n ALA 41 Cb 0.47 0.39 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.76 5.79 0.51 0.00 1.01 -1.26 -3.40 116.67 116.57 2kwl s ASP 42 Ca 0.17 0.04 0.30 0.00 0.71 0.00 0.00 52.55 53.77 2kwl s ASP 42 Cb -0.02 -1.62 1.43 0.00 1.01 0.00 0.00 42.92 43.72 2kwl s ASP 42 CO 0.04 0.13 1.85 0.77 0.21 0.00 0.00 175.17 178.17 2kwl h SER 43 N 2.90 0.09 -0.69 0.27 4.64 -1.98 0.55 113.55 119.33 2kwl h SER 43 Ca -0.47 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 60.98 2kwl h SER 43 Cb 1.18 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 2kwl h SER 43 CO 0.68 0.02 0.26 0.17 -0.87 0.00 0.00 176.83 177.09 2kwl h LEU 44 N 0.08 0.24 0.00 5.97 8.10 -2.01 0.30 115.31 128.00 2kwl h LEU 44 Ca 0.49 0.09 -0.08 0.00 0.11 0.00 0.00 57.88 58.49 2kwl h LEU 44 Cb 1.80 0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 42.09 2kwl h LEU 44 CO -0.06 0.12 -0.42 0.44 -4.11 0.00 0.00 178.44 174.42 2kwl h ASP 45 N 0.42 0.00 0.76 0.17 3.32 -1.31 -3.24 116.42 116.55 2kwl h ASP 45 Ca 0.36 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 2kwl h ASP 45 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2kwl h ASP 45 CO -0.36 0.40 -0.70 0.40 -1.72 0.00 0.00 179.24 177.26 2kwl h ILE 46 N 0.00 1.46 -0.38 0.35 1.08 -0.56 -3.26 117.51 116.21 2kwl h ILE 46 Ca -0.01 -2.43 0.08 0.00 -0.39 0.00 0.00 64.86 62.12 2kwl h ILE 46 Cb 1.31 2.32 -0.08 0.00 -3.07 0.00 0.00 36.82 37.30 2kwl h ILE 46 CO 0.05 0.69 -0.21 0.22 -0.69 0.00 0.00 178.15 178.20 2kwl h TYR 47 N 0.00 -0.55 -0.41 1.37 5.03 -0.51 -0.03 116.97 121.87 2kwl h TYR 47 Ca -0.01 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 2kwl h TYR 47 Cb 1.27 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.83 2kwl h TYR 47 CO 0.00 -0.29 0.03 0.93 -1.32 0.00 0.00 178.16 177.51 2kwl h GLU 48 N -0.15 0.64 0.66 1.82 5.08 -1.74 0.16 114.58 121.03 2kwl h GLU 48 Ca 0.19 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2kwl h GLU 48 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kwl h GLU 48 CO -0.47 0.63 -0.49 1.25 -1.00 0.00 0.00 179.01 178.94 2kwl h LEU 49 N 0.61 -1.28 -0.58 1.33 5.85 -1.08 -0.95 115.31 119.21 2kwl h LEU 49 Ca 0.13 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 2kwl h LEU 49 Cb 0.34 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2kwl h LEU 49 CO 0.01 -0.70 -0.31 0.17 -0.34 0.00 0.00 178.44 177.27 2kwl h LEU 50 N -1.10 0.83 -0.38 2.25 8.10 -1.24 -1.75 115.31 122.02 2kwl h LEU 50 Ca -0.09 -0.34 0.08 0.00 0.11 0.00 0.00 57.88 57.64 2kwl h LEU 50 Cb 0.91 -0.23 -0.08 0.00 -0.44 0.00 0.00 40.66 40.82 2kwl h LEU 50 CO 0.03 1.07 -0.12 0.22 -4.11 0.00 0.00 178.44 175.54 2kwl h TYR 51 N 0.67 -0.26 0.00 0.17 3.20 -0.55 -0.28 116.97 119.92 2kwl h TYR 51 Ca 0.07 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 2kwl h TYR 51 Cb 0.85 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 2kwl h TYR 51 CO 0.05 -0.19 -0.63 -0.07 -1.64 0.00 0.00 178.16 175.68 2kwl h LEU 52 N -0.03 0.00 0.11 2.82 4.07 -1.14 -3.18 115.31 117.96 2kwl h LEU 52 Ca 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 2kwl h LEU 52 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2kwl h LEU 52 CO -0.41 0.63 -0.05 0.25 -1.08 0.00 0.00 178.44 177.77 2kwl h LEU 53 N 0.00 -0.13 -1.52 1.67 5.85 -0.23 -2.59 115.31 118.36 2kwl h LEU 53 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kwl h LEU 53 Cb 1.23 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2kwl h LEU 53 CO 0.08 -0.05 0.31 -0.33 -0.34 0.00 0.00 178.44 178.10 2kwl h GLU 54 N -0.19 0.63 0.00 1.25 4.39 -1.16 -0.59 114.58 118.91 2kwl h GLU 54 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kwl h GLU 54 Cb 0.15 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kwl h GLU 54 CO 0.03 0.42 0.00 1.49 -1.16 0.00 0.00 179.01 179.79 2kwl h GLU 55 N 0.65 0.00 0.00 2.33 4.81 -1.44 0.42 114.58 121.35 2kwl h GLU 55 Ca 0.17 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2kwl h GLU 55 Cb -0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2kwl h GLU 55 CO -0.04 0.00 -0.98 0.00 -0.73 0.00 0.00 179.01 177.27 2kwl h ALA 56 N 2.00 0.53 -0.01 2.92 0.00 -1.01 -3.33 119.26 120.36 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 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kwl h ALA 56 CO 0.00 0.06 -0.10 1.19 0.00 0.00 0.00 179.25 180.40 2kwl n PHE 57 N -2.71 0.00 -2.76 0.00 3.72 0.25 -5.04 117.46 110.91 2kwl n PHE 57 Ca -0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 2kwl n PHE 57 Cb 0.57 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.43 -7.44 -3.66 4.37 8.00 0.12 -5.06 116.55 113.32 2kwl n ASP 58 Ca 0.07 0.41 -0.06 0.00 0.71 0.00 0.00 54.79 55.92 2kwl n ASP 58 Cb 0.33 -5.02 -0.02 0.00 -0.02 0.00 0.00 41.12 36.39 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 -2.54 -0.28 -0.14 -2.24 1.01 -1.14 -5.04 116.67 106.31 2kwl s ASP 59 Ca 0.19 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.13 2kwl s ASP 59 Cb -0.05 0.50 -0.03 0.00 1.01 0.00 0.00 42.92 44.34 2kwl s ASP 59 CO 0.70 -0.89 0.02 -0.54 0.21 0.00 0.00 175.17 174.67 2kwl s LYS 60 N -3.37 3.50 -0.02 8.23 -0.14 -1.26 -4.53 119.74 122.15 2kwl s LYS 60 Ca 0.09 -0.39 -0.21 0.00 -1.36 0.00 0.00 55.97 54.09 2kwl s LYS 60 Cb -0.02 -2.99 -0.13 0.00 -1.68 0.00 0.00 37.83 33.02 2kwl s LYS 60 CO -0.02 0.46 0.91 0.82 -0.76 0.00 0.00 175.35 176.76 2kwl h ILE 61 N 4.61 0.27 0.00 2.17 1.08 -1.95 0.25 117.51 123.94 2kwl h ILE 61 Ca -0.42 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2kwl h ILE 61 Cb 1.19 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 2kwl h ILE 61 CO 0.62 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.33 2kwl n PRO 62 N -5.17 0.49 -0.00 2.37 -0.04 -1.26 0.45 135.00 131.83 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 0.27 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.99 0.06 0.17 0.54 0.00 -1.18 -4.47 120.64 114.76 2kwl n GLU 63 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 57.16 57.21 2kwl n GLU 63 Cb 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 31.44 31.07 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 -0.11 -0.42 0.67 4.31 -1.24 -0.60 -2.41 115.58 115.78 2kwl h ASN 64 Ca 0.00 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 56.92 2kwl h ASN 64 Cb 0.11 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2kwl h ASN 64 CO 0.00 0.03 -0.36 -0.33 -1.29 0.00 0.00 177.43 175.48 2kwl h GLU 65 N -1.08 -0.91 -0.71 6.67 3.07 -1.25 -2.22 114.58 118.15 2kwl h GLU 65 Ca -0.05 0.06 0.21 0.00 -0.50 0.00 0.00 59.36 59.08 2kwl h GLU 65 Cb 0.45 0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 2kwl h GLU 65 CO 0.08 -0.61 0.56 0.00 -1.40 0.00 0.00 179.01 177.64 2kwl h ALA 66 N -0.64 2.60 -0.07 3.43 0.00 -0.16 0.42 119.26 124.84 2kwl h ALA 66 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kwl h ALA 66 Cb 0.74 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kwl h ALA 66 CO 0.12 -0.93 0.25 -0.97 0.00 0.00 0.00 179.25 177.73 2kwl h ASN 67 N 0.00 0.00 0.00 0.00 -0.00 -0.86 -3.17 115.58 111.55 2kwl h ASN 67 Ca 0.34 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.49 2kwl h ASN 67 Cb 1.46 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.65 2kwl h ASN 67 CO -0.00 0.00 -0.23 1.21 -0.00 0.00 0.00 177.43 178.41 2kwl n GLU 68 N -3.15 1.13 -2.97 6.67 4.07 0.74 -5.10 120.64 122.03 2kwl n GLU 68 Ca -0.01 -1.07 -0.19 0.00 -0.06 0.00 0.00 57.16 55.83 2kwl n GLU 68 Cb 0.33 0.33 0.02 0.00 -0.06 0.00 0.00 31.44 32.05 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 2.94 0.15 4.31 5.36 0.11 -5.00 117.98 125.97 2kwl s PHE 69 Ca 0.09 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2kwl s PHE 69 Cb 0.37 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 2kwl s PHE 69 CO -0.11 -0.48 0.00 -1.91 -1.46 0.00 0.00 175.22 171.26 2kwl n GLU 70 N -2.00 0.00 -3.42 10.12 4.07 -1.26 -4.97 120.64 123.18 2kwl n GLU 70 Ca 0.06 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.04 2kwl n GLU 70 Cb 0.59 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.94 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 -2.68 0.00 -0.33 6.31 -2.24 -1.26 -5.03 114.28 109.05 2kwl n THR 71 Ca 0.00 -1.43 0.19 0.00 -2.27 0.00 0.00 64.05 60.55 2kwl n THR 71 Cb 0.00 0.83 0.44 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.76 0.58 -0.58 2.28 2.07 -1.91 -0.78 116.25 119.67 2kwl h VAL 72 Ca -0.20 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.26 2kwl h VAL 72 Cb 0.89 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 2kwl h VAL 72 CO 0.27 0.10 0.03 1.23 0.02 0.00 0.00 177.57 179.21 2kwl h GLY 73 N 0.52 0.65 1.00 2.17 0.00 -1.93 -0.84 103.07 104.63 2kwl h GLY 73 Ca 0.59 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.98 2kwl h GLY 73 CO -0.35 -0.17 0.43 -0.55 0.00 0.00 0.00 176.54 175.90 2kwl h ASP 74 N 0.15 0.79 -0.36 0.19 5.19 -1.53 -2.73 116.42 118.12 2kwl h ASP 74 Ca 0.30 -0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 2kwl h ASP 74 Cb 0.48 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.74 2kwl h ASP 74 CO -0.47 0.60 0.07 0.58 -3.12 0.00 0.00 179.24 176.89 2kwl h VAL 75 N 0.92 0.81 -0.15 -1.35 2.07 -1.11 0.25 116.25 117.70 2kwl h VAL 75 Ca 0.25 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.75 2kwl h VAL 75 Cb -0.07 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2kwl h VAL 75 CO -0.05 0.03 -0.17 0.58 0.02 0.00 0.00 177.57 177.98 2kwl h VAL 76 N 0.19 0.55 0.00 2.57 2.07 -1.04 0.17 116.25 120.75 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 0.20 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2kwl h VAL 76 CO -0.23 0.00 -0.10 0.78 0.02 0.00 0.00 177.57 178.03 2kwl h ASN 77 N -0.21 0.00 0.24 0.57 2.35 -1.22 -1.34 115.58 115.97 2kwl h ASN 77 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2kwl h ASN 77 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2kwl h ASN 77 CO -0.27 0.10 -0.11 -0.26 -1.65 0.00 0.00 177.43 175.24 2kwl h PHE 78 N 0.00 -0.30 0.00 1.19 -1.00 0.12 -2.96 116.94 113.99 2kwl h PHE 78 Ca -0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2kwl h PHE 78 Cb 0.52 0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 2kwl h PHE 78 CO 0.00 -0.18 -0.05 0.82 -1.61 0.00 0.00 178.31 177.28 2kwl h ILE 79 N -0.95 0.29 0.20 -0.55 2.04 -0.78 0.28 117.51 118.04 2kwl h ILE 79 Ca -0.03 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2kwl h ILE 79 Cb 0.25 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2kwl h ILE 79 CO 0.05 0.05 -0.10 0.11 0.00 0.00 0.00 178.15 178.27 2kwl h LYS 80 N 0.00 -0.26 0.07 2.37 1.57 -1.31 -2.83 116.57 116.18 2kwl h LYS 80 Ca -0.00 0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 2kwl h LYS 80 Cb 0.24 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2kwl h LYS 80 CO 0.01 0.08 -1.15 1.57 -0.57 0.00 0.00 179.45 179.38 2kwl h LYS 81 N -0.63 0.16 -0.86 3.15 5.09 -1.33 0.18 116.57 122.33 2kwl h LYS 81 Ca -0.03 -0.27 0.12 0.00 0.09 0.00 0.00 60.65 60.56 2kwl h LYS 81 Cb 0.46 0.10 -0.08 0.00 0.10 0.00 0.00 32.23 32.80 2kwl h LYS 81 CO 0.05 1.12 0.49 0.00 -2.09 0.00 0.00 179.45 179.02 2kwl h ARG 82 N 0.04 0.74 0.01 0.07 3.08 -0.51 -3.20 114.38 114.60 2kwl h ARG 82 Ca -0.09 -0.04 -0.42 0.00 0.07 0.00 0.00 59.98 59.50 2kwl h ARG 82 Cb 1.89 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.71 2kwl h ARG 82 CO 0.17 0.49 -2.42 1.17 -1.07 0.00 0.00 179.97 178.31 2kwl n LYS 83 N -4.77 0.62 0.00 0.04 4.81 -1.07 -5.06 118.16 112.73 2kwl n LYS 83 Ca 0.16 0.24 0.10 0.00 -0.87 0.00 0.00 58.31 57.94 2kwl n LYS 83 Cb 0.35 -1.53 0.59 0.00 0.02 0.00 0.00 35.03 34.47 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98