#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 2.55 0.00 1.61 0.04 -1.26 -2.64 135.00 135.29 2kwl s PRO 2 Ca 0.00 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2kwl s PRO 2 Cb 0.00 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.44 2kwl s PRO 2 CO 0.00 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 173.95 2kwl n GLY 3 N 6.64 2.31 0.42 0.56 0.00 -1.26 -4.94 105.19 108.91 2kwl n GLY 3 Ca 0.41 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.67 2kwl n GLY 3 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kwl h SER 4 N 0.39 0.05 -4.59 1.61 0.87 -2.02 -3.42 113.55 106.44 2kwl h SER 4 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 2kwl h SER 4 Cb 0.00 -0.01 -0.21 0.00 -0.44 0.00 0.00 62.40 61.74 2kwl h SER 4 CO 0.00 0.02 -0.18 0.00 -0.53 0.00 0.00 176.83 176.15 2kwl s MET 5 N -5.05 0.67 -0.23 2.24 0.23 -1.26 -5.03 119.30 110.87 2kwl s MET 5 Ca -0.05 0.17 0.10 0.00 -1.03 0.00 0.00 55.69 54.88 2kwl s MET 5 Cb 0.21 0.31 0.66 0.00 -1.53 0.00 0.00 34.83 34.48 2kwl s MET 5 CO 0.75 -0.16 1.59 -0.25 -2.03 0.00 0.00 175.02 174.92 2kwl n ASP 6 N 1.78 4.72 -0.34 -1.18 8.00 -1.26 -4.51 116.55 123.76 2kwl n ASP 6 Ca -0.18 -2.89 0.10 0.00 0.71 0.00 0.00 54.79 52.54 2kwl n ASP 6 Cb 0.56 -0.68 0.28 0.00 -0.02 0.00 0.00 41.12 41.26 2kwl n ASP 6 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2kwl h ASN 7 N 2.86 0.76 -0.26 -2.24 4.21 -1.88 -0.57 115.58 118.46 2kwl h ASN 7 Ca 0.10 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.70 2kwl h ASN 7 Cb 1.90 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 39.05 2kwl h ASN 7 CO 0.51 0.31 0.00 0.47 -1.29 0.00 0.00 177.43 177.43 2kwl n ASP 8 N -4.76 3.13 -0.04 5.81 9.92 -1.26 -4.47 116.55 124.88 2kwl n ASP 8 Ca 0.21 -2.41 0.01 0.00 -0.53 0.00 0.00 54.79 52.07 2kwl n ASP 8 Cb 0.49 -0.33 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 2kwl n ASP 8 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kwl n GLU 9 N -0.04 0.92 0.19 -1.24 -0.58 -0.33 -3.92 120.64 115.63 2kwl n GLU 9 Ca 0.14 -0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.66 2kwl n GLU 9 Cb 0.58 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.96 2kwl n GLU 9 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2kwl h ILE 10 N 0.00 0.51 -0.04 -3.67 2.04 -1.48 0.22 117.51 115.08 2kwl h ILE 10 Ca -0.20 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 2kwl h ILE 10 Cb 1.34 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2kwl h ILE 10 CO 0.01 0.09 -0.38 2.19 0.00 0.00 0.00 178.15 180.06 2kwl h PHE 11 N -0.90 0.09 -0.06 1.37 -0.00 -1.83 -1.77 116.94 113.84 2kwl h PHE 11 Ca -0.05 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.97 57.82 2kwl h PHE 11 Cb 0.54 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.48 2kwl h PHE 11 CO 0.02 0.45 -0.27 1.03 -0.00 0.00 0.00 178.31 179.54 2kwl h SER 12 N 0.07 0.34 -0.33 -0.68 0.87 -1.67 -2.37 113.55 109.78 2kwl h SER 12 Ca 0.01 -0.65 -0.01 0.00 -1.23 0.00 0.00 61.79 59.90 2kwl h SER 12 Cb 0.70 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2kwl h SER 12 CO 0.05 0.93 0.15 0.50 -0.53 0.00 0.00 176.83 177.93 2kwl h LYS 13 N -0.23 0.48 -0.30 2.24 3.64 -0.49 0.83 116.57 122.73 2kwl h LYS 13 Ca -0.02 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2kwl h LYS 13 Cb 0.92 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2kwl h LYS 13 CO 0.06 0.45 0.19 0.28 -2.27 0.00 0.00 179.45 178.16 2kwl h VAL 14 N 0.39 1.06 0.00 2.00 2.07 -1.40 -2.19 116.25 118.17 2kwl h VAL 14 Ca 0.11 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2kwl h VAL 14 Cb 0.14 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2kwl h VAL 14 CO -0.01 0.07 -0.38 -0.09 0.02 0.00 0.00 177.57 177.18 2kwl h ARG 15 N 0.38 0.00 0.00 1.57 2.43 -1.29 -2.56 114.38 114.92 2kwl h ARG 15 Ca 0.11 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2kwl h ARG 15 Cb -0.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2kwl h ARG 15 CO -0.04 0.38 -0.08 1.03 -1.51 0.00 0.00 179.97 179.75 2kwl h SER 16 N 0.00 0.00 0.06 -3.80 0.87 -0.19 0.48 113.55 110.98 2kwl h SER 16 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kwl h SER 16 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2kwl h SER 16 CO 0.05 0.08 -0.03 0.40 -0.53 0.00 0.00 176.83 176.80 2kwl h ILE 17 N 0.00 0.95 0.00 2.23 2.04 -1.24 -3.33 117.51 118.15 2kwl h ILE 17 Ca -0.00 -1.51 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 2kwl h ILE 17 Cb 0.19 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2kwl h ILE 17 CO 0.01 0.29 -0.43 0.16 0.00 0.00 0.00 178.15 178.18 2kwl h ILE 18 N -0.94 1.27 -0.95 -0.67 3.07 -1.50 -2.93 117.51 114.86 2kwl h ILE 18 Ca -0.01 -1.51 0.28 0.00 1.55 0.00 0.00 64.86 65.17 2kwl h ILE 18 Cb 0.55 1.82 -0.04 0.00 -0.27 0.00 0.00 36.82 38.88 2kwl h ILE 18 CO 0.01 0.42 0.77 -1.28 -1.05 0.00 0.00 178.15 177.03 2kwl h SER 19 N 0.00 0.00 0.42 2.16 0.87 -0.14 0.49 113.55 117.34 2kwl h SER 19 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2kwl h SER 19 Cb 0.79 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2kwl h SER 19 CO 0.06 0.00 -0.32 -0.08 -0.53 0.00 0.00 176.83 175.96 2kwl h GLU 20 N 0.00 -0.70 0.07 2.24 4.57 -1.66 0.62 114.58 119.72 2kwl h GLU 20 Ca 0.45 0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 58.47 2kwl h GLU 20 Cb 1.98 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.73 2kwl h GLU 20 CO -0.00 -0.47 -1.09 1.96 -1.18 0.00 0.00 179.01 178.23 2kwl h GLN 21 N -0.73 0.15 -0.09 1.92 1.08 -1.34 -3.34 115.11 112.77 2kwl h GLN 21 Ca -0.04 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 2kwl h GLN 21 Cb 0.62 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2kwl h GLN 21 CO -0.00 1.13 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.93 2kwl h LEU 22 N -0.57 0.10 2.10 1.46 4.07 -0.18 -3.45 115.31 118.84 2kwl h LEU 22 Ca -0.25 -0.01 -0.32 0.00 0.08 0.00 0.00 57.88 57.38 2kwl h LEU 22 Cb 1.53 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 43.18 2kwl h LEU 22 CO -0.00 0.14 -0.37 -0.67 -1.08 0.00 0.00 178.44 176.46 2kwl n ASP 23 N -4.45 -4.56 -4.95 -0.43 2.03 0.22 -4.95 116.55 99.46 2kwl n ASP 23 Ca -0.02 0.21 -0.19 0.00 0.52 0.00 0.00 54.79 55.32 2kwl n ASP 23 Cb 0.14 -3.94 -0.01 0.00 -0.72 0.00 0.00 41.12 36.59 2kwl n ASP 23 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kwl s LYS 24 N -4.41 2.69 -0.15 -0.67 -0.14 -1.25 -5.06 119.74 110.75 2kwl s LYS 24 Ca 0.00 -1.38 -0.07 0.00 -1.36 0.00 0.00 55.97 53.17 2kwl s LYS 24 Cb 0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 2kwl s LYS 24 CO 0.00 -0.24 0.08 0.15 -0.76 0.00 0.00 175.35 174.58 2kwl s LYS 25 N -4.26 3.66 0.45 1.68 3.01 -1.26 -4.75 119.74 118.28 2kwl s LYS 25 Ca 0.52 -0.28 0.31 0.00 -1.01 0.00 0.00 55.97 55.51 2kwl s LYS 25 Cb -0.07 -3.15 1.60 0.00 -1.01 0.00 0.00 37.83 35.20 2kwl s LYS 25 CO 0.31 0.51 1.94 1.05 0.51 0.00 0.00 175.35 179.66 2kwl h GLU 26 N 5.89 0.00 -0.27 1.68 -0.00 -1.96 -0.32 114.58 119.60 2kwl h GLU 26 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 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 -2.60 1.08 -0.13 3.06 2.03 -1.26 -3.70 116.55 115.03 2kwl n ASP 27 Ca -0.01 -2.03 0.11 0.00 0.52 0.00 0.00 54.79 53.38 2kwl n ASP 27 Cb 0.09 -0.17 0.58 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.02 1.17 -1.44 -0.67 -0.58 -0.13 -4.88 120.64 114.14 2kwl n GLU 28 Ca 0.06 -0.26 -0.52 0.00 -0.42 0.00 0.00 57.16 56.02 2kwl n GLU 28 Cb 0.19 -1.36 -0.08 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.56 0.18 -3.50 -3.67 2.08 -1.24 -4.84 119.36 107.80 2kwl n ILE 29 Ca 0.16 -0.21 -0.09 0.00 0.56 0.00 0.00 62.75 63.18 2kwl n ILE 29 Cb 0.14 -1.47 -0.02 0.00 -0.75 0.00 0.00 39.64 37.54 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 6.82 0.00 -1.15 1.39 -1.32 -1.26 -4.96 115.64 115.17 2kwl s THR 30 Ca 1.10 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.87 2kwl s THR 30 Cb -0.96 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 69.37 2kwl s THR 30 CO 0.52 0.00 1.96 1.07 -2.21 0.00 0.00 174.62 175.97 2kwl n THR 31 N -0.25 0.02 -0.79 5.08 5.66 -1.26 -3.06 114.28 119.67 2kwl n THR 31 Ca -0.09 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.98 2kwl n THR 31 Cb 0.62 -0.51 0.39 0.00 -1.55 0.00 0.00 70.33 69.28 2kwl n THR 31 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2kwl n ASP 32 N -1.43 5.48 0.03 1.09 2.03 -1.26 -4.42 116.55 118.07 2kwl n ASP 32 Ca 0.09 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.55 2kwl n ASP 32 Cb 0.30 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 2kwl n ASP 32 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kwl n SER 33 N 0.64 0.52 -1.12 1.67 7.64 -1.17 -4.99 113.62 116.81 2kwl n SER 33 Ca 0.27 0.07 0.08 0.00 1.01 0.00 0.00 58.87 60.29 2kwl n SER 33 Cb 1.14 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 64.17 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 -3.23 -1.13 0.12 1.43 1.74 -1.25 -1.44 116.66 112.90 2kwl n ARG 34 Ca 0.00 0.74 -0.01 0.00 -0.77 0.00 0.00 57.85 57.82 2kwl n ARG 34 Cb 0.25 -1.38 0.26 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.52 0.18 -0.26 -1.55 0.04 -1.90 0.60 116.94 113.53 2kwl h PHE 35 Ca 0.01 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.76 2kwl h PHE 35 Cb 0.51 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 2kwl h PHE 35 CO 0.00 0.54 0.08 -0.39 -0.60 0.00 0.00 178.31 177.94 2kwl h VAL 36 N 0.13 0.92 0.00 -0.55 -1.51 -1.68 0.34 116.25 113.91 2kwl h VAL 36 Ca 0.01 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.39 2kwl h VAL 36 Cb 0.77 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2kwl h VAL 36 CO 0.06 0.04 -0.26 -0.08 -1.23 0.00 0.00 177.57 176.10 2kwl h GLU 37 N 0.19 0.00 0.43 5.19 4.57 -1.17 -3.41 114.58 120.38 2kwl h GLU 37 Ca 0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2kwl h GLU 37 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2kwl h GLU 37 CO -0.13 0.29 -0.21 0.22 -1.18 0.00 0.00 179.01 178.00 2kwl h ASP 38 N -1.00 -0.49 -4.13 1.04 3.58 -0.95 -3.45 116.42 111.01 2kwl h ASP 38 Ca -0.04 0.02 -0.45 0.00 0.42 0.00 0.00 57.03 56.98 2kwl h ASP 38 Cb 0.45 0.13 0.14 0.00 1.72 0.00 0.00 39.33 41.77 2kwl h ASP 38 CO -0.02 -0.33 0.29 -0.22 -2.88 0.00 0.00 179.24 176.07 2kwl s LEU 39 N -6.74 1.92 -0.41 2.28 2.96 0.12 -4.98 118.68 113.85 2kwl s LEU 39 Ca -0.09 0.87 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 2kwl s LEU 39 Cb 0.01 -3.10 0.58 0.00 0.50 0.00 0.00 46.19 44.17 2kwl s LEU 39 CO 0.26 -2.75 1.73 -0.46 -1.32 0.00 0.00 176.35 173.80 2kwl n ASN 40 N -3.89 3.68 -2.09 3.68 0.23 -1.25 -4.40 115.26 111.22 2kwl n ASN 40 Ca 0.08 -3.71 -0.07 0.00 -0.53 0.00 0.00 54.58 50.35 2kwl n ASN 40 Cb 0.59 -0.76 -0.01 0.00 -2.08 0.00 0.00 39.78 37.53 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 -1.10 -0.48 -2.78 -2.53 0.00 -1.26 -5.10 120.51 107.27 2kwl n ALA 41 Ca 0.49 -0.85 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 2kwl n ALA 41 Cb 1.31 0.68 -0.05 0.00 0.00 0.00 0.00 19.45 21.39 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 -2.21 5.40 0.58 0.00 1.01 -1.26 -3.44 116.67 116.75 2kwl s ASP 42 Ca 0.14 -0.31 0.29 0.00 0.71 0.00 0.00 52.55 53.38 2kwl s ASP 42 Cb -0.01 -1.31 1.43 0.00 1.01 0.00 0.00 42.92 44.04 2kwl s ASP 42 CO 0.10 -0.06 1.84 -1.28 0.21 0.00 0.00 175.17 175.97 2kwl h SER 43 N 1.51 0.00 -0.39 0.27 0.87 -1.97 -0.93 113.55 112.91 2kwl h SER 43 Ca -0.48 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.16 2kwl h SER 43 Cb 1.24 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.12 2kwl h SER 43 CO 0.60 0.00 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.71 2kwl h LEU 44 N 0.00 -0.43 -0.12 2.23 3.38 -2.01 0.34 115.31 118.69 2kwl h LEU 44 Ca 0.28 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 2kwl h LEU 44 Cb 1.46 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2kwl h LEU 44 CO -0.00 -0.16 -0.19 -0.78 0.09 0.00 0.00 178.44 177.41 2kwl h ASP 45 N -0.03 0.00 1.07 -0.43 1.82 -1.58 -3.18 116.42 114.09 2kwl h ASP 45 Ca 0.19 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.73 2kwl h ASP 45 Cb 0.32 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2kwl h ASP 45 CO -0.42 0.19 -0.46 0.40 -1.61 0.00 0.00 179.24 177.34 2kwl h ILE 46 N 0.00 0.93 -0.23 2.25 1.08 -0.80 -3.22 117.51 117.52 2kwl h ILE 46 Ca -0.00 -1.88 0.06 0.00 -0.39 0.00 0.00 64.86 62.65 2kwl h ILE 46 Cb 1.10 2.16 -0.07 0.00 -3.07 0.00 0.00 36.82 36.93 2kwl h ILE 46 CO 0.02 0.45 -0.31 0.22 -0.69 0.00 0.00 178.15 177.85 2kwl h TYR 47 N 0.00 -0.84 -0.33 1.37 5.03 -0.39 -1.02 116.97 120.80 2kwl h TYR 47 Ca -0.00 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 2kwl h TYR 47 Cb 1.12 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 39.79 2kwl h TYR 47 CO 0.00 -0.38 -0.25 0.93 -1.32 0.00 0.00 178.16 177.14 2kwl h GLU 48 N -0.32 0.65 0.27 1.82 5.08 -1.76 -0.24 114.58 120.08 2kwl h GLU 48 Ca 0.13 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kwl h GLU 48 Cb 0.53 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2kwl h GLU 48 CO -0.42 0.84 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.84 2kwl h LEU 49 N 0.57 -1.52 -0.33 1.33 3.38 -1.28 0.24 115.31 117.69 2kwl h LEU 49 Ca 0.08 0.15 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 2kwl h LEU 49 Cb 0.73 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2kwl h LEU 49 CO 0.06 -0.60 -0.38 0.17 0.09 0.00 0.00 178.44 177.78 2kwl h LEU 50 N -0.86 0.91 -0.43 1.67 8.10 -1.26 -1.61 115.31 121.83 2kwl h LEU 50 Ca -0.03 -0.48 0.08 0.00 0.11 0.00 0.00 57.88 57.56 2kwl h LEU 50 Cb 0.81 -0.26 -0.07 0.00 -0.44 0.00 0.00 40.66 40.70 2kwl h LEU 50 CO -0.20 1.21 -0.01 0.22 -4.11 0.00 0.00 178.44 175.55 2kwl h TYR 51 N 0.63 -0.04 0.00 0.17 3.20 -0.81 0.90 116.97 121.02 2kwl h TYR 51 Ca 0.05 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 2kwl h TYR 51 Cb 0.97 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 2kwl h TYR 51 CO 0.07 -0.09 -0.55 -0.07 -1.64 0.00 0.00 178.16 175.88 2kwl h LEU 52 N 0.10 0.00 0.05 2.82 4.07 -0.52 -3.03 115.31 118.81 2kwl h LEU 52 Ca 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 2kwl h LEU 52 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2kwl h LEU 52 CO -0.36 0.55 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.45 2kwl h LEU 53 N 0.00 -0.06 -1.74 1.67 4.07 -0.12 -2.83 115.31 116.29 2kwl h LEU 53 Ca -0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 2kwl h LEU 53 Cb 1.13 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 2kwl h LEU 53 CO 0.07 0.23 -0.03 1.05 -1.08 0.00 0.00 178.44 178.69 2kwl h GLU 54 N -0.36 0.13 -0.19 1.13 4.11 -0.93 -1.69 114.58 116.77 2kwl h GLU 54 Ca -0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.35 2kwl h GLU 54 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2kwl h GLU 54 CO 0.01 0.17 -0.13 1.49 0.07 0.00 0.00 179.01 180.62 2kwl h GLU 55 N 0.13 0.30 0.00 1.06 4.57 -1.39 0.31 114.58 119.56 2kwl h GLU 55 Ca 0.03 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2kwl h GLU 55 Cb 0.14 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2kwl h GLU 55 CO 0.00 0.44 -0.01 0.00 -1.18 0.00 0.00 179.01 178.27 2kwl h ALA 56 N 1.59 1.00 -0.01 2.92 0.00 -1.07 -2.90 119.26 120.79 2kwl h ALA 56 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kwl h ALA 56 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kwl h ALA 56 CO 0.02 0.01 -0.37 1.19 0.00 0.00 0.00 179.25 180.11 2kwl n PHE 57 N -3.10 0.00 -3.01 0.00 3.72 -0.69 -5.04 117.46 109.35 2kwl n PHE 57 Ca 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.39 2kwl n PHE 57 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.52 -7.83 -3.64 4.37 2.03 0.99 -5.05 116.55 106.90 2kwl n ASP 58 Ca 0.04 0.10 -0.09 0.00 0.52 0.00 0.00 54.79 55.37 2kwl n ASP 58 Cb 0.25 -5.31 -0.07 0.00 -0.72 0.00 0.00 41.12 35.27 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 -2.88 -0.61 0.05 1.67 1.01 -1.01 -5.03 116.67 109.87 2kwl s ASP 59 Ca 0.07 1.10 -0.31 0.00 0.71 0.00 0.00 52.55 54.13 2kwl s ASP 59 Cb -0.02 1.16 -0.06 0.00 1.01 0.00 0.00 42.92 45.01 2kwl s ASP 59 CO 0.76 -0.19 1.29 -0.54 0.21 0.00 0.00 175.17 176.70 2kwl s LYS 60 N 0.64 4.36 -0.06 8.23 -0.14 -1.26 -4.58 119.74 126.93 2kwl s LYS 60 Ca -0.01 1.88 -0.14 0.00 -1.36 0.00 0.00 55.97 56.33 2kwl s LYS 60 Cb -0.05 -3.40 -0.09 0.00 -1.68 0.00 0.00 37.83 32.61 2kwl s LYS 60 CO -0.08 -0.39 0.54 0.82 -0.76 0.00 0.00 175.35 175.48 2kwl h ILE 61 N 4.60 0.36 0.00 2.17 1.08 -1.95 0.35 117.51 124.13 2kwl h ILE 61 Ca -0.40 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 2kwl h ILE 61 Cb 1.20 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2kwl h ILE 61 CO 0.85 0.10 0.00 -0.81 -0.69 0.00 0.00 178.15 177.61 2kwl n PRO 62 N -4.95 0.39 -0.01 2.37 -0.04 -1.26 0.26 135.00 131.77 2kwl n PRO 62 Ca -0.05 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2kwl n PRO 62 Cb 0.19 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.10 0.14 0.01 0.54 4.07 -1.23 -4.46 120.64 118.61 2kwl n GLU 63 Ca 0.10 0.06 -0.02 0.00 -0.06 0.00 0.00 57.16 57.24 2kwl n GLU 63 Cb 0.08 -0.63 -0.01 0.00 -0.06 0.00 0.00 31.44 30.82 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2kwl h ASN 64 N -0.27 -0.09 -0.05 4.31 2.35 -1.02 -3.32 115.58 117.50 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 0.27 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 2kwl h ASN 64 CO 0.00 0.27 0.10 -0.33 -1.65 0.00 0.00 177.43 175.82 2kwl h GLU 65 N -0.77 0.00 0.00 0.81 5.08 -1.14 0.41 114.58 118.97 2kwl h GLU 65 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kwl h GLU 65 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kwl h GLU 65 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2kwl n ALA 66 N -2.17 1.32 0.27 3.43 0.00 0.14 -2.06 120.51 121.43 2kwl n ALA 66 Ca -0.02 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2kwl n ALA 66 Cb 0.19 -1.26 0.71 0.00 0.00 0.00 0.00 19.45 19.08 2kwl n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kwl h ASN 67 N 0.00 0.00 -0.20 0.00 -0.26 -1.05 -3.27 115.58 110.81 2kwl h ASN 67 Ca 0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 2kwl h ASN 67 Cb 0.15 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 37.17 2kwl h ASN 67 CO 0.00 0.02 -0.58 1.21 -1.06 0.00 0.00 177.43 177.02 2kwl n GLU 68 N -4.31 1.42 -3.94 0.81 2.13 -0.93 -5.12 120.64 110.69 2kwl n GLU 68 Ca -0.03 -2.08 -0.33 0.00 0.66 0.00 0.00 57.16 55.39 2kwl n GLU 68 Cb 0.11 -0.31 -0.05 0.00 0.27 0.00 0.00 31.44 31.45 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2kwl s PHE 69 N -1.15 3.49 0.21 4.31 5.36 -0.88 -4.82 117.98 124.49 2kwl s PHE 69 Ca 0.17 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.45 2kwl s PHE 69 Cb 0.41 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 41.29 2kwl s PHE 69 CO -0.09 0.62 0.00 -1.91 -1.46 0.00 0.00 175.22 172.38 2kwl n GLU 70 N 0.87 0.00 -3.73 10.12 4.07 -1.26 -4.98 120.64 125.72 2kwl n GLU 70 Ca -0.10 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.85 2kwl n GLU 70 Cb 0.52 0.00 -0.06 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 -2.93 0.00 -0.26 6.31 -2.24 -1.26 -5.03 114.28 108.86 2kwl n THR 71 Ca 0.00 -1.88 0.05 0.00 -2.27 0.00 0.00 64.05 59.95 2kwl n THR 71 Cb 0.00 0.95 0.19 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.70 -1.03 2.28 2.07 -1.89 -0.48 116.25 119.74 2kwl h VAL 72 Ca -0.19 -0.17 0.25 0.00 0.82 0.00 0.00 66.70 67.42 2kwl h VAL 72 Cb 0.94 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 2kwl h VAL 72 CO 0.27 0.09 0.64 1.23 0.02 0.00 0.00 177.57 179.82 2kwl h GLY 73 N 0.50 1.44 1.09 2.17 0.00 -1.93 0.22 103.07 106.55 2kwl h GLY 73 Ca 0.41 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 2kwl h GLY 73 CO -0.38 -0.16 0.07 -0.55 0.00 0.00 0.00 176.54 175.53 2kwl h ASP 74 N 0.47 1.06 -0.21 0.19 5.19 -1.40 -2.87 116.42 118.85 2kwl h ASP 74 Ca 0.60 -0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.67 2kwl h ASP 74 Cb 1.38 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 2kwl h ASP 74 CO -0.35 1.07 -0.18 0.58 -3.12 0.00 0.00 179.24 177.25 2kwl h VAL 75 N 1.02 1.32 -0.15 -1.35 2.07 -0.60 -2.17 116.25 116.40 2kwl h VAL 75 Ca 0.20 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.45 2kwl h VAL 75 Cb 0.48 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2kwl h VAL 75 CO 0.02 0.40 -0.41 0.58 0.02 0.00 0.00 177.57 178.18 2kwl h VAL 76 N 0.18 0.15 0.00 2.57 2.07 -1.01 0.24 116.25 120.46 2kwl h VAL 76 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2kwl h VAL 76 Cb 0.71 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2kwl h VAL 76 CO 0.05 0.00 -0.06 -0.55 0.02 0.00 0.00 177.57 177.03 2kwl h ASN 77 N -0.47 0.00 0.30 0.57 7.08 -1.57 -1.46 115.58 120.03 2kwl h ASN 77 Ca 0.08 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.29 2kwl h ASN 77 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.86 2kwl h ASN 77 CO -0.40 0.06 -0.15 -0.26 -2.08 0.00 0.00 177.43 174.60 2kwl h PHE 78 N 0.00 -0.38 0.00 4.14 -1.00 -0.13 -3.07 116.94 116.50 2kwl h PHE 78 Ca -0.00 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2kwl h PHE 78 Cb 0.38 0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 2kwl h PHE 78 CO 0.00 -0.23 -0.07 0.82 -1.61 0.00 0.00 178.31 177.21 2kwl h ILE 79 N -0.94 0.52 0.13 -0.55 2.04 -0.66 -0.41 117.51 117.64 2kwl h ILE 79 Ca -0.04 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2kwl h ILE 79 Cb 0.31 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2kwl h ILE 79 CO 0.07 0.07 -0.06 0.11 0.00 0.00 0.00 178.15 178.34 2kwl h LYS 80 N 0.00 -0.16 0.00 2.37 1.57 -1.32 0.24 116.57 119.26 2kwl h LYS 80 Ca -0.00 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2kwl h LYS 80 Cb 0.22 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2kwl h LYS 80 CO 0.01 -0.02 -0.52 1.57 -0.57 0.00 0.00 179.45 179.92 2kwl h LYS 81 N -0.27 0.00 -0.13 3.15 2.10 -1.39 0.97 116.57 120.99 2kwl h LYS 81 Ca -0.02 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.42 2kwl h LYS 81 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2kwl h LYS 81 CO 0.03 0.52 -0.76 0.00 -2.00 0.00 0.00 179.45 177.24 2kwl h ARG 82 N 0.00 0.66 0.00 0.07 3.08 -0.94 -3.36 114.38 113.90 2kwl h ARG 82 Ca -0.01 -0.54 -0.21 0.00 0.07 0.00 0.00 59.98 59.30 2kwl h ARG 82 Cb 1.40 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.53 2kwl h ARG 82 CO 0.07 1.15 -1.28 1.17 -1.07 0.00 0.00 179.97 180.01 2kwl n LYS 83 N -3.90 0.55 -0.36 0.04 3.00 0.83 -5.05 118.16 113.26 2kwl n LYS 83 Ca -0.06 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 2kwl n LYS 83 Cb 0.73 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 34.06 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81