#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 1.59 -1.59 1.61 -0.04 -1.26 -3.49 135.00 131.82 2kwl n PRO 2 Ca 0.00 -2.39 -0.06 0.00 -0.04 0.00 0.00 63.50 61.01 2kwl n PRO 2 Cb 0.00 -3.63 -0.02 0.00 -0.04 0.00 0.00 33.50 29.82 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 5.62 0.54 2.66 0.55 0.00 -1.26 -4.99 105.19 108.31 2kwl n GLY 3 Ca 0.45 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.84 3.36 -0.24 1.61 0.01 -1.23 -5.08 113.70 109.29 2kwl s SER 4 Ca 0.00 -2.80 -0.29 0.00 1.31 0.00 0.00 55.95 54.17 2kwl s SER 4 Cb 0.00 -0.94 0.17 0.00 0.21 0.00 0.00 66.02 65.46 2kwl s SER 4 CO 0.00 -0.23 1.23 0.00 0.41 0.00 0.00 173.24 174.65 2kwl s MET 5 N 0.16 0.26 -0.11 12.44 0.23 -1.26 -4.14 119.30 126.88 2kwl s MET 5 Ca 0.21 0.09 -0.00 0.00 -1.03 0.00 0.00 55.69 54.96 2kwl s MET 5 Cb -0.17 0.12 -0.25 0.00 -1.53 0.00 0.00 34.83 33.01 2kwl s MET 5 CO -0.05 -0.08 0.41 -0.25 -2.03 0.00 0.00 175.02 173.02 2kwl n ASP 6 N 0.78 1.72 -0.12 -1.18 9.92 -1.26 -3.75 116.55 122.66 2kwl n ASP 6 Ca -0.05 0.24 -0.05 0.00 -0.53 0.00 0.00 54.79 54.41 2kwl n ASP 6 Cb 0.58 -0.57 0.02 0.00 -0.64 0.00 0.00 41.12 40.51 2kwl n ASP 6 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kwl h ASN 7 N 0.05 -0.27 0.50 -2.24 -1.07 -1.89 0.38 115.58 111.03 2kwl h ASN 7 Ca -0.40 0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.08 2kwl h ASN 7 Cb 2.03 0.21 0.00 0.00 -2.07 0.00 0.00 38.32 38.48 2kwl h ASN 7 CO 0.08 -0.09 0.00 -0.67 0.07 0.00 0.00 177.43 176.81 2kwl n ASP 8 N -5.25 0.00 -0.00 6.14 2.03 -1.26 -2.48 116.55 115.72 2kwl n ASP 8 Ca 0.02 0.06 0.11 0.00 0.52 0.00 0.00 54.79 55.50 2kwl n ASP 8 Cb 0.22 -0.33 -0.13 0.00 -0.72 0.00 0.00 41.12 40.17 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 -1.33 0.29 -0.05 -0.67 4.07 0.10 -4.47 120.64 118.59 2kwl n GLU 9 Ca 0.10 -0.08 -0.09 0.00 -0.06 0.00 0.00 57.16 57.03 2kwl n GLU 9 Cb 0.20 -1.52 -0.03 0.00 -0.06 0.00 0.00 31.44 30.04 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 0.31 -0.10 6.31 2.04 -0.38 0.32 117.51 126.01 2kwl h ILE 10 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2kwl h ILE 10 Cb 0.72 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2kwl h ILE 10 CO 0.00 0.00 0.02 2.19 0.00 0.00 0.00 178.15 180.36 2kwl h PHE 11 N -0.31 0.13 -0.16 1.37 -0.00 -1.78 -1.49 116.94 114.70 2kwl h PHE 11 Ca 0.13 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.98 2kwl h PHE 11 Cb 0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.42 2kwl h PHE 11 CO -0.43 0.13 -0.37 0.66 -0.00 0.00 0.00 178.31 178.30 2kwl h SER 12 N 0.14 0.60 -0.47 -0.68 4.64 -1.17 -1.84 113.55 114.78 2kwl h SER 12 Ca 0.04 -0.57 -0.03 0.00 -0.47 0.00 0.00 61.79 60.76 2kwl h SER 12 Cb 0.06 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2kwl h SER 12 CO -0.00 1.06 0.16 0.50 -0.87 0.00 0.00 176.83 177.68 2kwl h LYS 13 N 0.18 0.72 -0.32 4.77 1.63 0.02 0.89 116.57 124.46 2kwl h LYS 13 Ca 0.00 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2kwl h LYS 13 Cb 0.97 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.48 2kwl h LYS 13 CO 0.08 0.67 0.09 0.28 -3.45 0.00 0.00 179.45 177.13 2kwl h VAL 14 N 0.62 1.21 0.00 2.00 2.07 -1.32 -2.76 116.25 118.07 2kwl h VAL 14 Ca 0.15 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 2kwl h VAL 14 Cb 0.24 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2kwl h VAL 14 CO -0.01 0.23 -0.39 -0.09 0.02 0.00 0.00 177.57 177.33 2kwl h ARG 15 N 0.36 0.00 0.00 1.57 2.43 -1.22 -2.54 114.38 114.98 2kwl h ARG 15 Ca 0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2kwl h ARG 15 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2kwl h ARG 15 CO -0.00 0.39 -0.02 1.03 -1.51 0.00 0.00 179.97 179.86 2kwl h SER 16 N 0.00 0.00 0.06 -3.80 0.87 -0.51 0.49 113.55 110.66 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 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2kwl h SER 16 CO 0.05 0.02 -0.03 0.40 -0.53 0.00 0.00 176.83 176.74 2kwl h ILE 17 N 0.00 1.01 -0.00 2.23 2.04 -1.41 -3.34 117.51 118.04 2kwl h ILE 17 Ca -0.00 -1.54 -0.12 0.00 1.00 0.00 0.00 64.86 64.20 2kwl h ILE 17 Cb 0.06 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2kwl h ILE 17 CO 0.00 0.31 -0.57 0.16 0.00 0.00 0.00 178.15 178.05 2kwl h ILE 18 N -0.93 1.41 -0.95 -0.67 3.07 -1.54 -3.04 117.51 114.86 2kwl h ILE 18 Ca -0.01 -1.95 0.28 0.00 1.55 0.00 0.00 64.86 64.73 2kwl h ILE 18 Cb 0.57 2.05 -0.04 0.00 -0.27 0.00 0.00 36.82 39.13 2kwl h ILE 18 CO 0.01 0.56 0.75 0.77 -1.05 0.00 0.00 178.15 179.19 2kwl h SER 19 N 0.01 0.00 0.40 2.16 4.64 -0.14 0.52 113.55 121.13 2kwl h SER 19 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kwl h SER 19 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 2kwl h SER 19 CO 0.07 0.00 -0.33 -0.08 -0.87 0.00 0.00 176.83 175.63 2kwl h GLU 20 N 0.00 -0.71 0.06 4.77 4.57 -1.67 0.55 114.58 122.16 2kwl h GLU 20 Ca 0.45 0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.48 2kwl h GLU 20 Cb 1.95 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.69 2kwl h GLU 20 CO -0.00 -0.47 -1.03 1.96 -1.18 0.00 0.00 179.01 178.28 2kwl h GLN 21 N -0.73 0.12 0.00 1.92 1.08 -1.37 -3.33 115.11 112.80 2kwl h GLN 21 Ca -0.03 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 2kwl h GLN 21 Cb 0.64 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2kwl h GLN 21 CO -0.02 1.10 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.86 2kwl h LEU 22 N -0.66 0.00 2.49 1.46 4.07 -0.13 -3.45 115.31 119.09 2kwl h LEU 22 Ca -0.24 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.47 2kwl h LEU 22 Cb 1.46 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.19 2kwl h LEU 22 CO -0.03 0.04 -0.32 -0.67 -1.08 0.00 0.00 178.44 176.38 2kwl n ASP 23 N -4.01 -3.85 -4.91 -0.43 2.03 0.19 -4.94 116.55 100.64 2kwl n ASP 23 Ca -0.03 0.18 -0.20 0.00 0.52 0.00 0.00 54.79 55.26 2kwl n ASP 23 Cb 0.12 -3.27 -0.02 0.00 -0.72 0.00 0.00 41.12 37.23 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 -5.07 2.68 -0.17 -0.67 -0.14 -1.25 -5.06 119.74 110.07 2kwl s LYS 24 Ca 0.02 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.17 2kwl s LYS 24 Cb -0.01 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 2kwl s LYS 24 CO 0.02 -0.13 0.08 0.15 -0.76 0.00 0.00 175.35 174.71 2kwl s LYS 25 N -4.15 3.83 0.42 1.68 3.01 -1.26 -4.74 119.74 118.53 2kwl s LYS 25 Ca 0.48 -0.29 0.29 0.00 -1.01 0.00 0.00 55.97 55.44 2kwl s LYS 25 Cb -0.06 -3.20 1.40 0.00 -1.01 0.00 0.00 37.83 34.96 2kwl s LYS 25 CO 0.29 0.41 1.89 1.05 0.51 0.00 0.00 175.35 179.49 2kwl h GLU 26 N 6.25 0.00 -0.25 1.68 -0.00 -1.96 -1.41 114.58 118.90 2kwl h GLU 26 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 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 0.68 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 176.22 2kwl n ASP 27 N -2.60 1.09 -0.67 3.06 2.03 -1.26 -3.70 116.55 114.50 2kwl n ASP 27 Ca -0.00 -2.02 0.05 0.00 0.52 0.00 0.00 54.79 53.33 2kwl n ASP 27 Cb 0.16 -0.16 0.14 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.05 1.88 -1.51 -0.67 -0.58 -0.53 -4.92 120.64 114.36 2kwl n GLU 28 Ca 0.06 -1.15 -0.52 0.00 -0.42 0.00 0.00 57.16 55.13 2kwl n GLU 28 Cb 0.18 -1.35 -0.07 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.38 0.24 -3.51 -3.67 2.08 -1.24 -4.87 119.36 108.77 2kwl n ILE 29 Ca 0.11 -0.19 -0.09 0.00 0.56 0.00 0.00 62.75 63.14 2kwl n ILE 29 Cb 0.33 -1.52 -0.02 0.00 -0.75 0.00 0.00 39.64 37.68 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 6.18 0.00 -1.13 1.39 -1.32 -1.26 -4.96 115.64 114.53 2kwl s THR 30 Ca 1.06 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.84 2kwl s THR 30 Cb -0.92 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 69.40 2kwl s THR 30 CO 0.54 0.00 1.97 1.07 -2.21 0.00 0.00 174.62 175.98 2kwl n THR 31 N -0.10 0.00 -0.27 5.08 5.66 -1.26 -3.05 114.28 120.34 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 0.61 -0.49 0.30 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.43 4.16 0.01 1.09 9.92 -1.26 -4.39 116.55 124.65 2kwl n ASP 32 Ca 0.09 -2.45 -0.03 0.00 -0.53 0.00 0.00 54.79 51.88 2kwl n ASP 32 Cb 0.31 -0.55 -0.01 0.00 -0.64 0.00 0.00 41.12 40.23 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 0.79 1.17 -0.89 -2.24 7.64 -1.17 -4.97 113.62 113.94 2kwl n SER 33 Ca 0.21 0.17 0.03 0.00 1.01 0.00 0.00 58.87 60.29 2kwl n SER 33 Cb 0.81 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 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 -3.64 -0.51 0.16 1.43 1.74 -1.25 -1.57 116.66 113.01 2kwl n ARG 34 Ca -0.04 0.34 0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2kwl n ARG 34 Cb 0.17 -0.62 0.28 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.23 0.03 -0.11 -1.55 0.04 -1.90 0.13 116.94 113.35 2kwl h PHE 35 Ca 0.01 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kwl h PHE 35 Cb 0.23 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2kwl h PHE 35 CO 0.00 0.48 0.07 -0.39 -0.60 0.00 0.00 178.31 177.87 2kwl h VAL 36 N 0.02 1.06 0.00 -0.55 -1.51 -1.69 0.99 116.25 114.57 2kwl h VAL 36 Ca -0.00 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.29 2kwl h VAL 36 Cb 0.82 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2kwl h VAL 36 CO 0.06 0.06 -0.25 -0.33 -1.23 0.00 0.00 177.57 175.88 2kwl h GLU 37 N 0.12 0.00 0.48 5.19 4.39 -1.23 -3.41 114.58 120.12 2kwl h GLU 37 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2kwl h GLU 37 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2kwl h GLU 37 CO -0.01 0.27 -0.24 0.22 -1.16 0.00 0.00 179.01 178.10 2kwl h ASP 38 N -1.00 -0.56 -3.53 1.42 1.82 -0.84 -3.45 116.42 110.28 2kwl h ASP 38 Ca -0.03 0.02 -0.45 0.00 -0.39 0.00 0.00 57.03 56.18 2kwl h ASP 38 Cb 0.43 0.15 0.16 0.00 0.68 0.00 0.00 39.33 40.74 2kwl h ASP 38 CO -0.02 -0.40 0.36 -0.76 -1.61 0.00 0.00 179.24 176.82 2kwl s LEU 39 N -6.90 2.79 -0.30 2.28 1.43 0.34 -4.97 118.68 113.34 2kwl s LEU 39 Ca -0.10 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2kwl s LEU 39 Cb 0.01 -2.07 0.47 0.00 0.03 0.00 0.00 46.19 44.63 2kwl s LEU 39 CO 0.29 -2.69 1.38 -0.46 0.23 0.00 0.00 176.35 175.10 2kwl n ASN 40 N -3.65 3.32 -3.68 2.29 6.94 -1.23 -4.34 115.26 114.91 2kwl n ASN 40 Ca 0.16 -3.81 -0.13 0.00 -0.02 0.00 0.00 54.58 50.78 2kwl n ASN 40 Cb 0.59 -0.56 -0.07 0.00 -2.36 0.00 0.00 39.78 37.39 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 -3.39 -1.00 0.63 -2.53 0.00 -1.25 -5.08 121.76 109.13 2kwl s ALA 41 Ca 0.46 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 2kwl s ALA 41 Cb 0.41 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2kwl s ALA 41 CO -0.01 -0.41 1.03 -0.51 0.00 0.00 0.00 175.76 175.86 2kwl s ASP 42 N -1.83 6.09 0.58 0.00 1.01 -1.26 -3.98 116.67 117.28 2kwl s ASP 42 Ca -0.07 1.35 0.30 0.00 0.71 0.00 0.00 52.55 54.84 2kwl s ASP 42 Cb -0.02 -2.36 1.43 0.00 1.01 0.00 0.00 42.92 42.98 2kwl s ASP 42 CO -0.00 -0.94 1.83 0.77 0.21 0.00 0.00 175.17 177.03 2kwl h SER 43 N -0.36 0.00 -0.36 0.27 4.64 -1.97 -0.23 113.55 115.54 2kwl h SER 43 Ca -0.44 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 2kwl h SER 43 Cb 1.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 2kwl h SER 43 CO 0.62 0.00 0.00 0.17 -0.87 0.00 0.00 176.83 176.76 2kwl h LEU 44 N 0.00 -0.14 0.00 5.97 8.10 -2.01 0.34 115.31 127.57 2kwl h LEU 44 Ca 0.32 0.08 -0.07 0.00 0.11 0.00 0.00 57.88 58.32 2kwl h LEU 44 Cb 1.57 0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 41.92 2kwl h LEU 44 CO -0.00 -0.03 -0.35 -0.78 -4.11 0.00 0.00 178.44 173.16 2kwl h ASP 45 N 0.11 0.00 0.93 0.17 1.82 -1.42 -3.23 116.42 114.80 2kwl h ASP 45 Ca 0.18 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.70 2kwl h ASP 45 Cb 0.24 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 2kwl h ASP 45 CO -0.29 0.32 -0.57 0.40 -1.61 0.00 0.00 179.24 177.49 2kwl h ILE 46 N 0.00 1.17 -0.90 2.25 1.08 -0.75 -3.23 117.51 117.14 2kwl h ILE 46 Ca -0.01 -2.14 0.20 0.00 -0.39 0.00 0.00 64.86 62.53 2kwl h ILE 46 Cb 1.25 2.23 -0.11 0.00 -3.07 0.00 0.00 36.82 37.12 2kwl h ILE 46 CO 0.04 0.56 0.43 0.22 -0.69 0.00 0.00 178.15 178.71 2kwl h TYR 47 N 0.00 0.73 -0.20 1.37 5.03 -0.39 0.11 116.97 123.62 2kwl h TYR 47 Ca -0.01 0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.16 2kwl h TYR 47 Cb 1.19 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.28 2kwl h TYR 47 CO 0.00 0.04 -0.62 0.93 -1.32 0.00 0.00 178.16 177.19 2kwl h GLU 48 N 0.49 0.68 0.68 1.82 5.08 -1.76 -1.53 114.58 120.05 2kwl h GLU 48 Ca 0.54 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2kwl h GLU 48 Cb 0.95 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2kwl h GLU 48 CO -0.47 1.09 -0.49 1.25 -1.00 0.00 0.00 179.01 179.39 2kwl h LEU 49 N 0.51 -1.29 -0.87 1.33 6.46 -0.91 0.31 115.31 120.83 2kwl h LEU 49 Ca -0.01 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2kwl h LEU 49 Cb 1.20 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 41.50 2kwl h LEU 49 CO 0.12 -0.72 0.20 0.17 -0.62 0.00 0.00 178.44 177.59 2kwl h LEU 50 N -1.13 0.96 -1.55 2.25 8.10 -1.35 -1.77 115.31 120.83 2kwl h LEU 50 Ca -0.09 -0.17 -0.04 0.00 0.11 0.00 0.00 57.88 57.69 2kwl h LEU 50 Cb 0.93 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 2kwl h LEU 50 CO 0.04 0.90 -0.14 0.22 -4.11 0.00 0.00 178.44 175.35 2kwl h TYR 51 N 0.99 0.12 0.16 0.17 3.20 -1.06 0.92 116.97 121.47 2kwl h TYR 51 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2kwl h TYR 51 Cb 0.29 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2kwl h TYR 51 CO 0.02 0.26 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.65 2kwl h LEU 52 N 0.11 -0.19 -0.10 2.82 4.07 0.17 -3.09 115.31 119.11 2kwl h LEU 52 Ca 0.02 -0.21 0.02 0.00 0.08 0.00 0.00 57.88 57.79 2kwl h LEU 52 Cb 0.32 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2kwl h LEU 52 CO 0.02 0.36 -0.00 0.17 -1.08 0.00 0.00 178.44 177.91 2kwl h LEU 53 N -1.00 -0.04 -1.98 1.67 8.10 -1.30 -1.50 115.31 119.26 2kwl h LEU 53 Ca -0.02 0.02 0.24 0.00 0.11 0.00 0.00 57.88 58.23 2kwl h LEU 53 Cb 0.38 0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 40.61 2kwl h LEU 53 CO 0.04 -0.01 0.59 1.05 -4.11 0.00 0.00 178.44 176.00 2kwl h GLU 54 N 0.03 0.01 -0.01 0.17 4.11 -0.95 0.33 114.58 118.28 2kwl h GLU 54 Ca 0.05 -0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.27 2kwl h GLU 54 Cb 0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2kwl h GLU 54 CO -0.08 0.01 -0.87 1.49 0.07 0.00 0.00 179.01 179.62 2kwl h GLU 55 N 0.01 0.27 0.00 1.06 4.81 -1.19 -1.60 114.58 117.94 2kwl h GLU 55 Ca 0.39 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2kwl h GLU 55 Cb 1.55 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.01 2kwl h GLU 55 CO -0.01 0.99 -0.01 0.00 -0.73 0.00 0.00 179.01 179.24 2kwl h ALA 56 N 0.92 1.00 -0.46 2.92 0.00 0.10 -2.54 119.26 121.20 2kwl h ALA 56 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kwl h ALA 56 Cb 1.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kwl h ALA 56 CO 0.14 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.59 2kwl n PHE 57 N -3.11 0.60 -3.63 0.00 3.72 -0.85 -4.99 117.46 109.21 2kwl n PHE 57 Ca 0.01 -0.36 -0.28 0.00 -0.05 0.00 0.00 57.45 56.76 2kwl n PHE 57 Cb 0.33 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.27 -5.55 -3.64 4.37 2.03 -0.96 -5.00 116.55 109.09 2kwl n ASP 58 Ca 0.18 -0.94 -0.09 0.00 0.52 0.00 0.00 54.79 54.46 2kwl n ASP 58 Cb 0.55 -3.49 -0.07 0.00 -0.72 0.00 0.00 41.12 37.39 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 -3.40 -0.61 0.31 1.67 1.01 -0.62 -5.05 116.67 109.97 2kwl s ASP 59 Ca 0.42 1.10 -0.28 0.00 0.71 0.00 0.00 52.55 54.51 2kwl s ASP 59 Cb -0.15 1.16 -0.09 0.00 1.01 0.00 0.00 42.92 44.86 2kwl s ASP 59 CO 0.85 -0.18 1.03 -0.54 0.21 0.00 0.00 175.17 176.54 2kwl s LYS 60 N 0.70 4.54 -0.04 8.23 -0.14 -1.26 -4.31 119.74 127.45 2kwl s LYS 60 Ca -0.02 1.60 -0.20 0.00 -1.36 0.00 0.00 55.97 55.99 2kwl s LYS 60 Cb -0.05 -2.97 -0.13 0.00 -1.68 0.00 0.00 37.83 33.00 2kwl s LYS 60 CO -0.08 0.18 0.86 0.82 -0.76 0.00 0.00 175.35 176.36 2kwl h ILE 61 N 2.78 0.53 0.00 2.17 1.08 -1.91 0.30 117.51 122.46 2kwl h ILE 61 Ca -0.47 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 2kwl h ILE 61 Cb 1.21 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2kwl h ILE 61 CO 0.65 0.13 0.00 -0.81 -0.69 0.00 0.00 178.15 177.43 2kwl n PRO 62 N -5.04 0.33 -0.01 2.37 -0.04 -1.26 -0.18 135.00 131.17 2kwl n PRO 62 Ca -0.08 0.08 -0.02 0.00 -0.04 0.00 0.00 63.50 63.45 2kwl n PRO 62 Cb 0.25 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 2kwl n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kwl n GLU 63 N -1.17 0.10 0.11 0.54 -0.58 -1.20 -4.42 120.64 114.03 2kwl n GLU 63 Ca 0.09 0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.82 2kwl n GLU 63 Cb 0.09 -0.53 -0.03 0.00 -0.57 0.00 0.00 31.44 30.40 2kwl n GLU 63 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2kwl h ASN 64 N -0.20 -0.30 -0.05 1.62 -1.24 -0.51 -3.27 115.58 111.63 2kwl h ASN 64 Ca 0.00 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.03 2kwl h ASN 64 Cb 0.20 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 2kwl h ASN 64 CO 0.00 0.06 0.06 -0.33 -1.29 0.00 0.00 177.43 175.94 2kwl h GLU 65 N -0.92 0.00 0.00 6.67 3.07 -1.13 -0.13 114.58 122.14 2kwl h GLU 65 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2kwl h GLU 65 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2kwl h GLU 65 CO 0.06 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 2kwl h ALA 66 N 1.92 1.00 -0.40 3.43 0.00 -0.62 -1.69 119.26 122.90 2kwl h ALA 66 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2kwl h ALA 66 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kwl h ALA 66 CO -0.00 0.00 0.33 -2.95 0.00 0.00 0.00 179.25 176.63 2kwl h ASN 67 N 0.00 0.00 0.00 0.00 7.08 -1.12 -3.27 115.58 118.27 2kwl h ASN 67 Ca 0.00 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.06 2kwl h ASN 67 Cb 0.10 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.20 2kwl h ASN 67 CO 0.00 0.00 -0.24 1.21 -2.08 0.00 0.00 177.43 176.32 2kwl n GLU 68 N -4.14 1.16 -3.47 4.14 4.07 -0.92 -5.14 120.64 116.34 2kwl n GLU 68 Ca 0.07 -1.20 -0.31 0.00 -0.06 0.00 0.00 57.16 55.66 2kwl n GLU 68 Cb 0.52 0.28 -0.05 0.00 -0.06 0.00 0.00 31.44 32.13 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 0.13 3.44 0.37 4.31 5.36 -0.68 -4.91 117.98 126.00 2kwl s PHE 69 Ca 0.11 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 2kwl s PHE 69 Cb 0.38 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.89 2kwl s PHE 69 CO -0.11 0.30 0.00 -1.91 -1.46 0.00 0.00 175.22 172.04 2kwl n GLU 70 N -0.18 0.00 -3.73 10.12 2.13 -1.26 -4.98 120.64 122.74 2kwl n GLU 70 Ca -0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2kwl n GLU 70 Cb 0.52 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.18 2kwl n GLU 70 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2kwl n THR 71 N -3.25 0.00 -0.31 6.31 -2.24 -1.26 -5.03 114.28 108.51 2kwl n THR 71 Ca 0.00 -1.87 0.10 0.00 -2.27 0.00 0.00 64.05 60.00 2kwl n THR 71 Cb 0.00 0.95 0.26 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.66 -1.01 2.28 2.07 -1.89 -0.23 116.25 119.97 2kwl h VAL 72 Ca -0.19 -0.20 0.24 0.00 0.82 0.00 0.00 66.70 67.38 2kwl h VAL 72 Cb 0.94 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 2kwl h VAL 72 CO 0.27 0.11 0.61 1.23 0.02 0.00 0.00 177.57 179.81 2kwl h GLY 73 N 0.59 1.75 0.95 2.17 0.00 -1.93 0.92 103.07 107.53 2kwl h GLY 73 Ca 0.51 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 2kwl h GLY 73 CO -0.41 -0.20 0.03 -0.55 0.00 0.00 0.00 176.54 175.41 2kwl h ASP 74 N 0.56 0.70 -0.31 0.19 5.19 -1.38 -2.88 116.42 118.49 2kwl h ASP 74 Ca 0.63 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 56.70 2kwl h ASP 74 Cb 1.26 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 2kwl h ASP 74 CO -0.43 0.82 0.03 0.58 -3.12 0.00 0.00 179.24 177.12 2kwl h VAL 75 N 0.57 1.21 0.77 -1.35 2.07 -0.84 -0.08 116.25 118.61 2kwl h VAL 75 Ca 0.12 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2kwl h VAL 75 Cb 0.44 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2kwl h VAL 75 CO 0.02 0.29 -0.42 0.58 0.02 0.00 0.00 177.57 178.05 2kwl h VAL 76 N 0.60 0.14 0.00 2.57 2.07 -0.93 0.31 116.25 121.02 2kwl h VAL 76 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2kwl h VAL 76 Cb 0.34 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2kwl h VAL 76 CO 0.01 0.00 -0.08 -0.55 0.02 0.00 0.00 177.57 176.96 2kwl h ASN 77 N -1.10 0.00 0.45 0.57 7.08 -1.47 -2.34 115.58 118.77 2kwl h ASN 77 Ca -0.10 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.10 2kwl h ASN 77 Cb 0.87 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.11 2kwl h ASN 77 CO 0.14 0.08 -0.22 -0.26 -2.08 0.00 0.00 177.43 175.10 2kwl h PHE 78 N 0.00 -0.56 0.00 4.14 -1.00 -0.60 -3.01 116.94 115.90 2kwl h PHE 78 Ca -0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 2kwl h PHE 78 Cb 0.53 0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 2kwl h PHE 78 CO 0.00 -0.35 -0.06 0.82 -1.61 0.00 0.00 178.31 177.11 2kwl h ILE 79 N -1.12 0.56 0.04 -0.55 2.04 -0.96 0.03 117.51 117.54 2kwl h ILE 79 Ca -0.06 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2kwl h ILE 79 Cb 0.46 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2kwl h ILE 79 CO 0.10 0.06 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 2kwl h LYS 80 N 0.00 -0.05 0.00 2.37 1.57 -1.44 -2.91 116.57 116.11 2kwl h LYS 80 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2kwl h LYS 80 Cb 0.17 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2kwl h LYS 80 CO 0.01 0.08 -0.70 1.57 -0.57 0.00 0.00 179.45 179.84 2kwl h LYS 81 N -0.17 0.00 -0.93 3.15 2.10 -1.34 0.16 116.57 119.53 2kwl h LYS 81 Ca -0.01 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.76 2kwl h LYS 81 Cb 0.15 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.40 2kwl h LYS 81 CO 0.01 0.64 0.56 -0.09 -2.00 0.00 0.00 179.45 178.57 2kwl h ARG 82 N 0.00 0.86 0.00 0.07 9.65 -0.87 -3.25 114.38 120.84 2kwl h ARG 82 Ca -0.02 -0.05 -0.25 0.00 -1.10 0.00 0.00 59.98 58.56 2kwl h ARG 82 Cb 1.51 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.86 2kwl h ARG 82 CO 0.08 0.57 -1.93 1.63 2.80 0.00 0.00 179.97 183.12 2kwl n LYS 83 N -4.69 0.40 -0.57 0.20 5.02 -1.11 -5.08 118.16 112.34 2kwl n LYS 83 Ca 0.17 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2kwl n LYS 83 Cb 0.35 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29