#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 -1.32 0.00 1.61 0.04 -1.26 -4.41 135.00 129.66 2kwl s PRO 2 Ca 0.00 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2kwl s PRO 2 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2kwl s PRO 2 CO 0.00 -3.77 0.00 0.41 0.04 0.00 0.00 177.00 173.68 2kwl n GLY 3 N -0.94 0.40 0.09 0.56 0.00 -1.26 -4.97 105.19 99.07 2kwl n GLY 3 Ca 0.14 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 1.95 1.91 -2.50 1.61 7.64 -1.26 -5.09 113.62 117.88 2kwl n SER 4 Ca 0.00 0.39 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 2kwl n SER 4 Cb 0.21 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 2kwl n SER 4 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kwl n MET 5 N -4.49 0.33 0.29 1.43 2.81 -1.26 -5.02 117.12 111.21 2kwl n MET 5 Ca -0.13 -2.21 0.18 0.00 -1.81 0.00 0.00 57.70 53.73 2kwl n MET 5 Cb 0.48 1.88 0.98 0.00 -0.71 0.00 0.00 33.22 35.84 2kwl n MET 5 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2kwl h ASP 6 N 1.40 0.00 -0.35 7.83 5.19 -1.97 -2.59 116.42 125.93 2kwl h ASP 6 Ca -0.17 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.32 2kwl h ASP 6 Cb 0.82 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.25 2kwl h ASP 6 CO 0.24 0.00 -0.24 0.78 -3.12 0.00 0.00 179.24 176.90 2kwl h ASN 7 N 0.00 -0.79 -0.37 6.45 4.21 -1.91 0.22 115.58 123.39 2kwl h ASN 7 Ca 0.03 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.70 2kwl h ASN 7 Cb 0.25 0.39 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2kwl h ASN 7 CO -0.00 -0.26 0.00 0.47 -1.29 0.00 0.00 177.43 176.35 2kwl n ASP 8 N -5.39 2.51 -0.03 5.81 8.00 -0.98 -3.72 116.55 122.74 2kwl n ASP 8 Ca 0.01 -2.14 0.03 0.00 0.71 0.00 0.00 54.79 53.40 2kwl n ASP 8 Cb 0.30 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.91 2kwl n ASP 8 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kwl n GLU 9 N 0.57 0.83 0.27 -1.24 2.13 0.63 -3.85 120.64 119.98 2kwl n GLU 9 Ca 0.14 -0.10 -0.15 0.00 0.66 0.00 0.00 57.16 57.70 2kwl n GLU 9 Cb 0.45 -1.42 -0.08 0.00 0.27 0.00 0.00 31.44 30.66 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 0.45 -0.05 6.31 2.04 -1.24 0.30 117.51 125.32 2kwl h ILE 10 Ca -0.16 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 2kwl h ILE 10 Cb 1.24 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2kwl h ILE 10 CO 0.01 0.04 -0.60 2.19 0.00 0.00 0.00 178.15 179.80 2kwl h PHE 11 N -0.86 0.24 -0.33 1.37 -0.00 -1.81 -1.86 116.94 113.69 2kwl h PHE 11 Ca -0.07 -0.09 -0.13 0.00 -0.00 0.00 0.00 57.97 57.68 2kwl h PHE 11 Cb 0.59 -0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.49 2kwl h PHE 11 CO -0.01 0.73 -0.31 1.03 -0.00 0.00 0.00 178.31 179.76 2kwl h SER 12 N 0.14 0.85 -0.16 -0.68 0.87 -1.65 0.73 113.55 113.64 2kwl h SER 12 Ca -0.01 -0.46 -0.07 0.00 -1.23 0.00 0.00 61.79 60.02 2kwl h SER 12 Cb 1.09 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2kwl h SER 12 CO 0.09 1.13 -0.19 0.50 -0.53 0.00 0.00 176.83 177.83 2kwl h LYS 13 N 0.57 0.41 -0.55 2.24 1.63 -0.36 -0.59 116.57 119.93 2kwl h LYS 13 Ca 0.06 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.53 2kwl h LYS 13 Cb 0.88 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 2kwl h LYS 13 CO 0.08 0.80 -0.05 0.28 -3.45 0.00 0.00 179.45 177.11 2kwl h VAL 14 N 0.04 1.27 -0.41 2.00 2.07 -1.36 -3.08 116.25 116.78 2kwl h VAL 14 Ca 0.02 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 2kwl h VAL 14 Cb 0.75 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2kwl h VAL 14 CO 0.05 0.42 -0.18 -0.09 0.02 0.00 0.00 177.57 177.79 2kwl h ARG 15 N 0.88 0.84 -0.29 1.57 9.65 -0.87 -2.76 114.38 123.40 2kwl h ARG 15 Ca 0.15 -0.36 0.08 0.00 -1.10 0.00 0.00 59.98 58.75 2kwl h ARG 15 Cb 0.60 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 2kwl h ARG 15 CO 0.04 0.99 0.37 1.03 2.80 0.00 0.00 179.97 185.20 2kwl h SER 16 N 0.65 0.00 0.26 -3.80 0.87 -1.01 0.40 113.55 110.92 2kwl h SER 16 Ca 0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2kwl h SER 16 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2kwl h SER 16 CO 0.06 0.00 -0.13 0.40 -0.53 0.00 0.00 176.83 176.63 2kwl h ILE 17 N 0.00 0.74 0.00 2.23 2.04 -1.45 -3.27 117.51 117.81 2kwl h ILE 17 Ca 0.14 -0.73 -0.16 0.00 1.00 0.00 0.00 64.86 65.11 2kwl h ILE 17 Cb 0.87 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2kwl h ILE 17 CO -0.00 0.14 -0.74 0.16 0.00 0.00 0.00 178.15 177.71 2kwl h ILE 18 N -0.77 1.46 -1.03 -0.67 3.07 -1.39 -3.19 117.51 114.99 2kwl h ILE 18 Ca -0.04 -2.60 0.30 0.00 1.55 0.00 0.00 64.86 64.07 2kwl h ILE 18 Cb 0.50 2.43 -0.04 0.00 -0.27 0.00 0.00 36.82 39.44 2kwl h ILE 18 CO 0.06 0.73 0.74 -1.28 -1.05 0.00 0.00 178.15 177.34 2kwl h SER 19 N 0.00 0.01 -0.51 2.16 0.87 -0.29 0.51 113.55 116.29 2kwl h SER 19 Ca -0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2kwl h SER 19 Cb 1.37 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 2kwl h SER 19 CO 0.10 0.00 0.03 -0.08 -0.53 0.00 0.00 176.83 176.35 2kwl h GLU 20 N 0.00 0.88 0.00 2.24 4.81 -1.60 0.43 114.58 121.34 2kwl h GLU 20 Ca 0.49 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2kwl h GLU 20 Cb 1.95 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 2kwl h GLU 20 CO -0.01 0.90 -0.51 0.37 -0.73 0.00 0.00 179.01 179.03 2kwl h GLN 21 N 0.75 0.00 -0.13 1.92 5.75 -0.66 -3.36 115.11 119.39 2kwl h GLN 21 Ca 0.15 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 2kwl h GLN 21 Cb 0.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 2kwl h GLN 21 CO 0.02 0.66 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.71 2kwl h LEU 22 N -1.00 0.17 2.53 -2.39 4.07 -0.31 -3.46 115.31 114.93 2kwl h LEU 22 Ca -0.12 -0.03 -0.38 0.00 0.08 0.00 0.00 57.88 57.44 2kwl h LEU 22 Cb 0.84 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.51 2kwl h LEU 22 CO -0.07 0.28 -0.47 -0.67 -1.08 0.00 0.00 178.44 176.43 2kwl n ASP 23 N -4.35 -5.42 -4.71 -0.43 -0.08 0.15 -4.99 116.55 96.73 2kwl n ASP 23 Ca -0.01 0.02 -0.19 0.00 -1.51 0.00 0.00 54.79 53.10 2kwl n ASP 23 Cb 0.21 -4.48 0.05 0.00 2.34 0.00 0.00 41.12 39.24 2kwl n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2kwl n LYS 24 N -2.78 0.65 -4.06 -0.67 5.02 -1.25 -5.05 118.16 110.03 2kwl n LYS 24 Ca -0.22 -2.95 -0.36 0.00 -2.02 0.00 0.00 58.31 52.76 2kwl n LYS 24 Cb 0.67 -0.12 -0.08 0.00 -0.02 0.00 0.00 35.03 35.48 2kwl n LYS 24 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kwl s LYS 25 N -4.38 3.45 0.39 1.97 3.01 -1.26 -4.85 119.74 118.08 2kwl s LYS 25 Ca 0.51 -0.27 0.28 0.00 -1.01 0.00 0.00 55.97 55.48 2kwl s LYS 25 Cb -0.04 -3.08 1.33 0.00 -1.01 0.00 0.00 37.83 35.03 2kwl s LYS 25 CO 0.33 0.61 1.84 1.05 0.51 0.00 0.00 175.35 179.69 2kwl h GLU 26 N 5.52 0.00 -0.26 1.68 9.09 -1.99 -1.45 114.58 127.17 2kwl h GLU 26 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2kwl h GLU 26 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 2kwl h GLU 26 CO 0.61 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 176.20 2kwl n ASP 27 N -2.52 1.04 0.00 3.06 2.03 -1.26 -3.76 116.55 115.14 2kwl n ASP 27 Ca -0.00 -2.03 0.12 0.00 0.52 0.00 0.00 54.79 53.40 2kwl n ASP 27 Cb 0.16 -0.17 0.63 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.00 0.45 -1.43 -0.67 1.02 -0.55 -4.82 120.64 114.64 2kwl n GLU 28 Ca 0.06 0.05 -0.50 0.00 -0.02 0.00 0.00 57.16 56.75 2kwl n GLU 28 Cb 0.18 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2kwl n GLU 28 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2kwl n ILE 29 N -1.21 0.12 -3.49 -3.67 2.08 -1.25 -4.83 119.36 107.11 2kwl n ILE 29 Ca 0.13 -0.25 -0.10 0.00 0.56 0.00 0.00 62.75 63.10 2kwl n ILE 29 Cb 0.16 -1.48 -0.02 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 7.76 0.00 -1.12 1.39 -1.32 -1.26 -4.95 115.64 116.13 2kwl s THR 30 Ca 1.13 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.86 2kwl s THR 30 Cb -0.92 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 69.35 2kwl s THR 30 CO 0.49 0.00 1.83 0.35 -2.21 0.00 0.00 174.62 175.08 2kwl n THR 31 N -0.20 0.24 -1.05 5.08 -2.24 -1.26 -2.94 114.28 111.92 2kwl n THR 31 Ca -0.11 0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 2kwl n THR 31 Cb 0.62 -0.63 0.31 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.44 4.88 0.02 3.42 2.03 -1.26 -4.42 116.55 119.78 2kwl n ASP 32 Ca 0.08 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.16 2kwl n ASP 32 Cb 0.27 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kwl n SER 33 N -0.14 0.37 -1.27 1.67 3.41 -1.15 -4.99 113.62 111.51 2kwl n SER 33 Ca 0.41 0.06 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 2kwl n SER 33 Cb 1.40 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 65.21 2kwl n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kwl n ARG 34 N -3.16 -2.20 0.21 4.33 1.74 -1.25 -1.31 116.66 115.02 2kwl n ARG 34 Ca 0.00 1.45 0.05 0.00 -0.77 0.00 0.00 57.85 58.58 2kwl n ARG 34 Cb 0.30 -2.68 0.46 0.00 -1.02 0.00 0.00 32.46 29.52 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 -1.01 0.00 0.02 -1.55 0.04 -1.90 0.31 116.94 112.85 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 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2kwl h PHE 35 CO 0.00 0.28 -0.01 -0.39 -0.60 0.00 0.00 178.31 177.60 2kwl h VAL 36 N 0.00 1.09 0.00 -0.55 -1.51 -1.69 -0.76 116.25 112.83 2kwl h VAL 36 Ca -0.00 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 2kwl h VAL 36 Cb 0.55 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2kwl h VAL 36 CO 0.04 0.08 -0.31 -0.08 -1.23 0.00 0.00 177.57 176.08 2kwl h GLU 37 N -0.16 0.00 0.41 5.19 4.57 -1.08 -3.41 114.58 120.10 2kwl h GLU 37 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2kwl h GLU 37 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2kwl h GLU 37 CO 0.00 0.18 -0.35 0.22 -1.18 0.00 0.00 179.01 177.89 2kwl h ASP 38 N -1.00 -0.94 -3.11 1.04 1.82 -0.42 -3.44 116.42 110.37 2kwl h ASP 38 Ca -0.03 0.07 -0.46 0.00 -0.39 0.00 0.00 57.03 56.22 2kwl h ASP 38 Cb 0.40 0.30 0.11 0.00 0.68 0.00 0.00 39.33 40.82 2kwl h ASP 38 CO -0.02 -0.48 0.23 -0.76 -1.61 0.00 0.00 179.24 176.60 2kwl s LEU 39 N -8.30 2.87 -0.56 2.28 1.43 -0.29 -5.01 118.68 111.09 2kwl s LEU 39 Ca -0.13 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2kwl s LEU 39 Cb 0.03 -2.36 0.42 0.00 0.03 0.00 0.00 46.19 44.30 2kwl s LEU 39 CO 0.41 -2.06 1.58 -0.46 0.23 0.00 0.00 176.35 176.05 2kwl n ASN 40 N -3.14 6.18 -3.73 2.29 6.94 -1.24 -4.32 115.26 118.25 2kwl n ASN 40 Ca 0.13 -3.77 -0.04 0.00 -0.02 0.00 0.00 54.58 50.87 2kwl n ASN 40 Cb 0.60 -0.71 -0.01 0.00 -2.36 0.00 0.00 39.78 37.30 2kwl n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kwl s ALA 41 N -3.76 -1.65 0.41 -2.53 0.00 -1.24 -5.10 121.76 107.89 2kwl s ALA 41 Ca 0.54 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2kwl s ALA 41 Cb 0.44 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 2kwl s ALA 41 CO -0.16 -1.00 0.61 -0.51 0.00 0.00 0.00 175.76 174.70 2kwl s ASP 42 N -2.88 5.92 0.58 0.00 1.11 -1.26 -3.54 116.67 116.59 2kwl s ASP 42 Ca 0.11 0.19 0.30 0.00 0.18 0.00 0.00 52.55 53.34 2kwl s ASP 42 Cb -0.02 -1.53 1.42 0.00 1.07 0.00 0.00 42.92 43.87 2kwl s ASP 42 CO 0.01 -0.58 1.80 0.77 1.18 0.00 0.00 175.17 178.35 2kwl h SER 43 N 0.56 0.00 -0.44 0.27 4.64 -1.97 -0.64 113.55 115.97 2kwl h SER 43 Ca -0.47 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.94 2kwl h SER 43 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 2kwl h SER 43 CO 0.57 0.00 -0.12 0.17 -0.87 0.00 0.00 176.83 176.58 2kwl h LEU 44 N 0.00 -0.44 0.00 5.97 8.10 -2.01 0.26 115.31 127.19 2kwl h LEU 44 Ca 0.34 0.14 0.00 0.00 0.11 0.00 0.00 57.88 58.46 2kwl h LEU 44 Cb 1.66 0.28 0.00 0.00 -0.44 0.00 0.00 40.66 42.17 2kwl h LEU 44 CO -0.00 -0.16 -0.02 -0.78 -4.11 0.00 0.00 178.44 173.36 2kwl h ASP 45 N -0.02 0.00 0.92 0.17 3.58 -1.51 -3.21 116.42 116.35 2kwl h ASP 45 Ca 0.21 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.49 2kwl h ASP 45 Cb 0.34 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 2kwl h ASP 45 CO -0.46 0.00 -0.78 0.40 -2.88 0.00 0.00 179.24 175.53 2kwl h ILE 46 N 0.00 1.47 -0.80 2.25 1.08 -0.65 -3.28 117.51 117.59 2kwl h ILE 46 Ca 0.00 -2.73 0.17 0.00 -0.39 0.00 0.00 64.86 61.91 2kwl h ILE 46 Cb 0.89 2.51 -0.11 0.00 -3.07 0.00 0.00 36.82 37.04 2kwl h ILE 46 CO 0.00 0.76 0.29 0.22 -0.69 0.00 0.00 178.15 178.73 2kwl h TYR 47 N 0.00 0.47 -0.31 1.37 5.03 -0.59 0.97 116.97 123.91 2kwl h TYR 47 Ca -0.01 0.04 -0.14 0.00 2.58 0.00 0.00 58.73 61.20 2kwl h TYR 47 Cb 1.44 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.63 2kwl h TYR 47 CO 0.00 -0.02 -0.37 0.93 -1.32 0.00 0.00 178.16 177.38 2kwl h GLU 48 N 0.37 0.73 0.61 1.82 5.08 -1.76 -0.69 114.58 120.73 2kwl h GLU 48 Ca 0.46 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2kwl h GLU 48 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2kwl h GLU 48 CO -0.48 0.98 -0.47 1.25 -1.00 0.00 0.00 179.01 179.28 2kwl h LEU 49 N 0.60 -1.25 -0.45 1.33 5.85 -0.93 -0.21 115.31 120.25 2kwl h LEU 49 Ca 0.06 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2kwl h LEU 49 Cb 0.91 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 2kwl h LEU 49 CO 0.08 -0.67 0.11 0.17 -0.34 0.00 0.00 178.44 177.79 2kwl h LEU 50 N -1.04 0.68 -0.40 2.25 8.10 -1.37 -1.83 115.31 121.69 2kwl h LEU 50 Ca -0.08 -0.23 0.08 0.00 0.11 0.00 0.00 57.88 57.77 2kwl h LEU 50 Cb 0.87 -0.18 -0.09 0.00 -0.44 0.00 0.00 40.66 40.82 2kwl h LEU 50 CO 0.02 0.73 -0.18 0.22 -4.11 0.00 0.00 178.44 175.12 2kwl h TYR 51 N 0.60 -0.43 0.00 0.17 3.20 -1.01 0.79 116.97 120.29 2kwl h TYR 51 Ca 0.14 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 2kwl h TYR 51 Cb 0.31 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2kwl h TYR 51 CO 0.02 -0.26 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.83 2kwl h LEU 52 N -0.10 0.00 -1.40 2.82 4.07 -0.94 -2.56 115.31 117.20 2kwl h LEU 52 Ca 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 2kwl h LEU 52 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2kwl h LEU 52 CO -0.47 0.38 -0.30 -0.07 -1.08 0.00 0.00 178.44 176.91 2kwl h LEU 53 N 0.00 0.00 -0.44 1.67 4.07 -0.03 -3.06 115.31 117.51 2kwl h LEU 53 Ca -0.00 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.05 2kwl h LEU 53 Cb 0.69 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.34 2kwl h LEU 53 CO 0.05 0.30 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.23 2kwl h GLU 54 N 0.00 -0.05 -0.12 1.13 5.08 -0.69 -0.53 114.58 119.40 2kwl h GLU 54 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2kwl h GLU 54 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2kwl h GLU 54 CO 0.04 -0.03 -0.53 1.49 -1.00 0.00 0.00 179.01 178.98 2kwl h GLU 55 N -0.05 0.34 0.00 2.33 4.81 -1.69 0.36 114.58 120.68 2kwl h GLU 55 Ca 0.21 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2kwl h GLU 55 Cb 0.38 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2kwl h GLU 55 CO -0.48 0.78 -0.00 0.00 -0.73 0.00 0.00 179.01 178.58 2kwl h ALA 56 N 1.18 1.26 0.00 2.92 0.00 -1.05 -2.01 119.26 121.56 2kwl h ALA 56 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kwl h ALA 56 Cb 1.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kwl h ALA 56 CO 0.09 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.53 2kwl n PHE 57 N -3.46 0.00 -3.67 0.00 3.72 -0.64 -5.03 117.46 108.38 2kwl n PHE 57 Ca -0.03 -0.17 -0.28 0.00 -0.05 0.00 0.00 57.45 56.92 2kwl n PHE 57 Cb 0.08 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 2kwl n PHE 57 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kwl n ASP 58 N -0.17 -4.24 -3.60 4.37 2.03 0.10 -4.99 116.55 110.06 2kwl n ASP 58 Ca 0.00 -0.96 -0.12 0.00 0.52 0.00 0.00 54.79 54.23 2kwl n ASP 58 Cb 0.14 -3.62 -0.06 0.00 -0.72 0.00 0.00 41.12 36.85 2kwl n ASP 58 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kwl s ASP 59 N -3.70 -0.53 0.21 1.67 1.01 0.17 -5.01 116.67 110.49 2kwl s ASP 59 Ca 0.35 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 54.14 2kwl s ASP 59 Cb -0.11 0.78 -0.09 0.00 1.01 0.00 0.00 42.92 44.51 2kwl s ASP 59 CO 0.85 -0.31 1.31 -0.54 0.21 0.00 0.00 175.17 176.68 2kwl s LYS 60 N -0.37 4.39 -0.05 8.23 -0.14 -1.26 -4.36 119.74 126.18 2kwl s LYS 60 Ca -0.02 2.07 -0.14 0.00 -1.36 0.00 0.00 55.97 56.52 2kwl s LYS 60 Cb -0.03 -3.18 -0.09 0.00 -1.68 0.00 0.00 37.83 32.85 2kwl s LYS 60 CO 0.01 -0.25 0.60 0.82 -0.76 0.00 0.00 175.35 175.76 2kwl h ILE 61 N 3.69 0.19 0.00 2.17 1.08 -1.92 0.30 117.51 123.02 2kwl h ILE 61 Ca -0.45 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 2kwl h ILE 61 Cb 1.22 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 2kwl h ILE 61 CO 0.76 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.46 2kwl n PRO 62 N -5.04 0.26 -0.01 2.37 -0.04 -1.26 -0.64 135.00 130.64 2kwl n PRO 62 Ca -0.06 0.12 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2kwl n PRO 62 Cb 0.20 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.23 0.12 0.15 0.54 2.13 -1.23 -4.40 120.64 116.72 2kwl n GLU 63 Ca 0.08 0.05 -0.07 0.00 0.66 0.00 0.00 57.16 57.88 2kwl n GLU 63 Cb 0.11 -0.56 -0.03 0.00 0.27 0.00 0.00 31.44 31.22 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2kwl h ASN 64 N -0.22 -0.38 -0.18 4.31 -1.24 -0.52 -3.25 115.58 114.11 2kwl h ASN 64 Ca 0.00 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.08 2kwl h ASN 64 Cb 0.22 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 2kwl h ASN 64 CO 0.00 -0.03 0.16 -0.33 -1.29 0.00 0.00 177.43 175.94 2kwl h GLU 65 N -0.93 0.00 0.00 6.67 3.07 -0.90 0.13 114.58 122.62 2kwl h GLU 65 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2kwl h GLU 65 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2kwl h GLU 65 CO 0.07 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.68 2kwl n ALA 66 N -2.43 1.37 0.34 3.43 0.00 0.19 -1.52 120.51 121.89 2kwl n ALA 66 Ca 0.01 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2kwl n ALA 66 Cb 0.29 -1.28 0.47 0.00 0.00 0.00 0.00 19.45 18.93 2kwl n ALA 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kwl n ASN 67 N -2.02 0.55 -2.37 0.00 2.04 0.44 -3.75 115.26 110.16 2kwl n ASN 67 Ca 0.01 0.66 -0.02 0.00 -0.44 0.00 0.00 54.58 54.80 2kwl n ASN 67 Cb 0.12 -0.77 0.09 0.00 -2.53 0.00 0.00 39.78 36.70 2kwl n ASN 67 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2kwl n GLU 68 N -2.14 1.00 -3.98 -3.83 4.07 -0.79 -5.15 120.64 109.83 2kwl n GLU 68 Ca 0.01 -0.90 -0.26 0.00 -0.06 0.00 0.00 57.16 55.95 2kwl n GLU 68 Cb 0.17 0.31 -0.04 0.00 -0.06 0.00 0.00 31.44 31.82 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 0.10 3.41 0.08 4.31 0.40 -0.58 -4.89 117.98 120.82 2kwl s PHE 69 Ca 0.07 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.48 2kwl s PHE 69 Cb 0.33 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 42.23 2kwl s PHE 69 CO -0.09 0.52 0.00 -1.91 0.70 0.00 0.00 175.22 174.43 2kwl n GLU 70 N -0.52 0.00 -3.64 0.44 4.07 -1.26 -4.98 120.64 114.74 2kwl n GLU 70 Ca -0.07 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.89 2kwl n GLU 70 Cb 0.54 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.88 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 -2.57 0.00 -0.36 6.31 -2.24 -1.26 -5.04 114.28 109.12 2kwl n THR 71 Ca 0.00 -1.68 0.05 0.00 -2.27 0.00 0.00 64.05 60.14 2kwl n THR 71 Cb 0.00 0.93 0.20 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.01 2.28 2.07 -1.88 -1.70 116.25 118.84 2kwl h VAL 72 Ca -0.20 -0.37 0.24 0.00 0.82 0.00 0.00 66.70 67.19 2kwl h VAL 72 Cb 0.96 -0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 2kwl h VAL 72 CO 0.28 0.19 0.61 1.23 0.02 0.00 0.00 177.57 179.91 2kwl h GLY 73 N 1.07 1.74 1.01 2.17 0.00 -1.93 0.11 103.07 107.24 2kwl h GLY 73 Ca 0.46 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2kwl h GLY 73 CO -0.22 -0.18 -0.07 -0.55 0.00 0.00 0.00 176.54 175.52 2kwl h ASP 74 N 0.59 0.84 -0.54 0.19 5.19 -1.65 -2.89 116.42 118.15 2kwl h ASP 74 Ca 0.62 -0.34 -0.08 0.00 -0.62 0.00 0.00 57.03 56.60 2kwl h ASP 74 Cb 1.20 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 2kwl h ASP 74 CO -0.42 0.99 0.02 0.58 -3.12 0.00 0.00 179.24 177.30 2kwl h VAL 75 N 0.68 1.26 0.03 -1.35 2.07 -0.84 -0.41 116.25 117.69 2kwl h VAL 75 Ca 0.12 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2kwl h VAL 75 Cb 0.60 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2kwl h VAL 75 CO 0.04 0.39 -0.13 0.58 0.02 0.00 0.00 177.57 178.47 2kwl h VAL 76 N 0.91 0.68 0.00 2.57 2.07 -0.87 0.21 116.25 121.81 2kwl h VAL 76 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 2kwl h VAL 76 Cb 0.50 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2kwl h VAL 76 CO 0.02 0.00 -0.17 -0.55 0.02 0.00 0.00 177.57 176.89 2kwl h ASN 77 N -0.24 0.00 0.12 0.57 7.08 -1.45 -2.44 115.58 119.22 2kwl h ASN 77 Ca 0.04 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.25 2kwl h ASN 77 Cb 0.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.52 2kwl h ASN 77 CO -0.11 0.17 -0.06 -0.26 -2.08 0.00 0.00 177.43 175.09 2kwl h PHE 78 N 0.00 -0.14 0.00 4.14 -1.00 -0.28 -1.86 116.94 117.80 2kwl h PHE 78 Ca -0.00 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2kwl h PHE 78 Cb 0.78 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.39 2kwl h PHE 78 CO 0.00 0.35 -0.02 0.82 -1.61 0.00 0.00 178.31 177.86 2kwl h ILE 79 N -0.82 0.05 0.02 -0.55 2.04 -0.65 -1.05 117.51 116.55 2kwl h ILE 79 Ca -0.02 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2kwl h ILE 79 Cb 0.56 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2kwl h ILE 79 CO 0.03 0.02 -0.01 0.11 0.00 0.00 0.00 178.15 178.29 2kwl h LYS 80 N 0.00 -0.03 -0.39 2.37 1.57 -1.45 -2.96 116.57 115.69 2kwl h LYS 80 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2kwl h LYS 80 Cb 0.41 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2kwl h LYS 80 CO 0.00 0.61 -0.08 1.57 -0.57 0.00 0.00 179.45 180.98 2kwl h LYS 81 N -0.96 0.66 0.00 3.15 5.09 -1.28 0.25 116.57 123.49 2kwl h LYS 81 Ca -0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 60.65 60.52 2kwl h LYS 81 Cb 0.65 -0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.91 2kwl h LYS 81 CO 0.01 0.74 -0.13 0.07 -2.09 0.00 0.00 179.45 178.04 2kwl h ARG 82 N 0.61 0.00 0.00 0.07 0.11 -1.31 -3.33 114.38 110.53 2kwl h ARG 82 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2kwl h ARG 82 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2kwl h ARG 82 CO 0.03 0.13 -0.30 1.17 0.10 0.00 0.00 179.97 181.10 2kwl n LYS 83 N -3.41 0.19 0.00 0.08 4.81 -0.85 -5.07 118.16 113.91 2kwl n LYS 83 Ca -0.01 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2kwl n LYS 83 Cb 0.31 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.39 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98