#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 -1.65 0.00 1.61 -0.04 -1.26 -4.72 135.00 128.94 2kwl n PRO 2 Ca 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 2kwl n PRO 2 Cb 0.00 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 0.33 1.53 3.16 0.55 0.00 -1.26 -5.08 105.19 104.43 2kwl n GLY 3 Ca 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2kwl n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kwl s SER 4 N -0.56 0.54 0.11 1.61 1.04 -1.26 -5.11 113.70 110.06 2kwl s SER 4 Ca 0.00 -1.17 -0.34 0.00 0.48 0.00 0.00 55.95 54.92 2kwl s SER 4 Cb 0.00 0.24 -0.13 0.00 0.10 0.00 0.00 66.02 66.23 2kwl s SER 4 CO 0.00 -0.67 1.68 1.15 0.98 0.00 0.00 173.24 176.38 2kwl n MET 5 N -0.10 2.27 -4.03 4.02 0.00 -1.26 -4.98 117.12 113.04 2kwl n MET 5 Ca -0.07 0.82 -0.25 0.00 0.00 0.00 0.00 57.70 58.20 2kwl n MET 5 Cb 0.63 -2.63 -0.05 0.00 0.00 0.00 0.00 33.22 31.18 2kwl n MET 5 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2kwl n ASP 6 N 4.38 3.05 -0.25 3.17 5.68 -1.26 -4.97 116.55 126.35 2kwl n ASP 6 Ca 0.18 -2.71 0.02 0.00 -0.50 0.00 0.00 54.79 51.78 2kwl n ASP 6 Cb 0.30 0.26 0.15 0.00 -1.14 0.00 0.00 41.12 40.69 2kwl n ASP 6 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2kwl h ASN 7 N 0.92 0.44 0.33 -1.12 2.35 -1.81 0.41 115.58 117.10 2kwl h ASN 7 Ca -0.32 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2kwl h ASN 7 Cb 0.99 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2kwl h ASN 7 CO 0.54 0.24 0.00 0.47 -1.65 0.00 0.00 177.43 177.03 2kwl n ASP 8 N -4.88 0.29 -0.04 5.81 8.00 -1.26 -1.67 116.55 122.80 2kwl n ASP 8 Ca 0.12 0.60 0.01 0.00 0.71 0.00 0.00 54.79 56.23 2kwl n ASP 8 Cb 0.30 -0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.85 0.67 0.15 -1.24 4.07 0.13 -3.71 120.64 118.87 2kwl n GLU 9 Ca 0.01 -0.08 -0.13 0.00 -0.06 0.00 0.00 57.16 56.90 2kwl n GLU 9 Cb 0.11 -1.55 -0.08 0.00 -0.06 0.00 0.00 31.44 29.87 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 0.66 -0.04 6.31 2.04 -0.18 0.25 117.51 126.55 2kwl h ILE 10 Ca -0.25 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 2kwl h ILE 10 Cb 1.58 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2kwl h ILE 10 CO 0.02 0.12 -0.41 2.19 0.00 0.00 0.00 178.15 180.07 2kwl h PHE 11 N -0.80 0.10 -0.08 1.37 -0.00 -1.76 -1.61 116.94 114.16 2kwl h PHE 11 Ca -0.04 -0.03 -0.19 0.00 -0.00 0.00 0.00 57.97 57.71 2kwl h PHE 11 Cb 0.51 -0.02 0.01 0.00 -0.00 0.00 0.00 35.95 36.45 2kwl h PHE 11 CO 0.03 0.48 -0.70 0.66 -0.00 0.00 0.00 178.31 178.78 2kwl h SER 12 N 0.07 0.75 0.04 -0.68 4.64 -1.63 -1.54 113.55 115.20 2kwl h SER 12 Ca 0.01 -0.68 -0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2kwl h SER 12 Cb 0.75 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2kwl h SER 12 CO 0.06 1.31 -0.02 0.50 -0.87 0.00 0.00 176.83 177.81 2kwl h LYS 13 N 0.24 -0.05 -0.47 4.77 3.64 -0.40 -0.46 116.57 123.84 2kwl h LYS 13 Ca -0.06 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2kwl h LYS 13 Cb 1.35 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2kwl h LYS 13 CO 0.14 0.27 0.10 0.28 -2.27 0.00 0.00 179.45 177.97 2kwl h VAL 14 N -0.37 1.21 -0.18 2.00 2.07 -1.39 -2.92 116.25 116.67 2kwl h VAL 14 Ca -0.01 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2kwl h VAL 14 Cb 0.34 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2kwl h VAL 14 CO 0.01 0.29 -0.08 -0.09 0.02 0.00 0.00 177.57 177.72 2kwl h ARG 15 N 0.70 0.37 -0.31 1.57 9.65 -1.20 -2.84 114.38 122.32 2kwl h ARG 15 Ca 0.15 -0.16 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2kwl h ARG 15 Cb 0.29 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2kwl h ARG 15 CO 0.00 0.66 0.36 0.77 2.80 0.00 0.00 179.97 184.56 2kwl h SER 16 N 0.06 0.00 0.25 -3.80 0.02 -0.89 0.43 113.55 109.61 2kwl h SER 16 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2kwl h SER 16 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2kwl h SER 16 CO 0.02 0.00 -0.12 0.40 -1.14 0.00 0.00 176.83 176.00 2kwl h ILE 17 N 0.00 0.78 0.00 3.27 2.04 -1.37 -3.26 117.51 118.97 2kwl h ILE 17 Ca 0.15 -0.75 -0.16 0.00 1.00 0.00 0.00 64.86 65.10 2kwl h ILE 17 Cb 0.86 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2kwl h ILE 17 CO -0.00 0.15 -0.74 0.16 0.00 0.00 0.00 178.15 177.72 2kwl h ILE 18 N -0.75 1.49 -1.04 -0.67 3.07 -1.33 -3.19 117.51 115.09 2kwl h ILE 18 Ca -0.03 -2.58 0.30 0.00 1.55 0.00 0.00 64.86 64.10 2kwl h ILE 18 Cb 0.50 2.41 -0.04 0.00 -0.27 0.00 0.00 36.82 39.41 2kwl h ILE 18 CO 0.06 0.73 0.77 0.77 -1.05 0.00 0.00 178.15 179.42 2kwl h SER 19 N 0.00 0.00 -0.33 2.16 4.64 -0.23 0.55 113.55 120.34 2kwl h SER 19 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2kwl h SER 19 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2kwl h SER 19 CO 0.10 0.00 0.09 -0.08 -0.87 0.00 0.00 176.83 176.07 2kwl h GLU 20 N 0.00 0.53 0.00 4.77 4.81 -1.61 0.44 114.58 123.52 2kwl h GLU 20 Ca 0.49 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2kwl h GLU 20 Cb 2.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 2kwl h GLU 20 CO -0.01 0.58 -0.56 1.96 -0.73 0.00 0.00 179.01 180.25 2kwl h GLN 21 N 0.39 0.00 -0.15 1.92 1.08 -0.81 -3.35 115.11 114.18 2kwl h GLN 21 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2kwl h GLN 21 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2kwl h GLN 21 CO -0.00 0.78 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.58 2kwl h LEU 22 N -1.00 0.19 1.55 1.46 4.07 -0.18 -3.46 115.31 117.95 2kwl h LEU 22 Ca -0.14 -0.02 -0.43 0.00 0.08 0.00 0.00 57.88 57.37 2kwl h LEU 22 Cb 0.96 -0.05 -0.13 0.00 1.08 0.00 0.00 40.66 42.52 2kwl h LEU 22 CO -0.08 0.25 -0.43 -0.67 -1.08 0.00 0.00 178.44 176.42 2kwl n ASP 23 N -4.40 -5.64 -4.89 -0.43 2.03 0.15 -4.97 116.55 98.42 2kwl n ASP 23 Ca -0.01 0.37 -0.21 0.00 0.52 0.00 0.00 54.79 55.46 2kwl n ASP 23 Cb 0.17 -4.88 0.09 0.00 -0.72 0.00 0.00 41.12 35.77 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 -4.12 1.98 0.03 -0.67 -0.14 -1.25 -5.05 119.74 110.52 2kwl s LYS 24 Ca 0.00 -1.53 0.00 0.00 -1.36 0.00 0.00 55.97 53.08 2kwl s LYS 24 Cb 0.00 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 2kwl s LYS 24 CO 0.00 -1.17 0.13 -1.59 -0.76 0.00 0.00 175.35 171.96 2kwl s LYS 25 N -4.88 3.17 0.39 1.68 0.00 -1.26 -4.83 119.74 114.00 2kwl s LYS 25 Ca 0.65 -0.50 0.28 0.00 0.00 0.00 0.00 55.97 56.39 2kwl s LYS 25 Cb -0.05 -2.91 1.31 0.00 0.00 0.00 0.00 37.83 36.19 2kwl s LYS 25 CO 0.42 0.62 1.84 1.05 0.00 0.00 0.00 175.35 179.28 2kwl h GLU 26 N 3.61 0.00 -0.27 1.78 -0.00 -1.99 -1.38 114.58 116.32 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 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 2kwl h GLU 26 CO 0.67 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 179.43 2kwl n ASP 27 N -2.51 1.19 0.00 3.06 8.00 -1.26 -3.77 116.55 121.26 2kwl n ASP 27 Ca -0.00 -2.03 0.11 0.00 0.71 0.00 0.00 54.79 53.59 2kwl n ASP 27 Cb 0.16 -0.18 0.57 0.00 -0.02 0.00 0.00 41.12 41.65 2kwl n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl n GLU 28 N 0.09 0.29 -1.48 -1.24 -0.58 -0.52 -4.80 120.64 112.40 2kwl n GLU 28 Ca 0.07 0.07 -0.49 0.00 -0.42 0.00 0.00 57.16 56.39 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 -1.31 0.20 -3.53 -3.67 2.08 -1.25 -4.85 119.36 107.04 2kwl n ILE 29 Ca 0.10 -0.31 -0.10 0.00 0.56 0.00 0.00 62.75 63.01 2kwl n ILE 29 Cb 0.19 -1.84 -0.03 0.00 -0.75 0.00 0.00 39.64 37.22 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 7.72 0.00 -1.11 1.39 -1.32 -1.26 -4.94 115.64 116.11 2kwl s THR 30 Ca 1.08 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.85 2kwl s THR 30 Cb -0.74 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 69.53 2kwl s THR 30 CO 0.46 0.00 1.90 1.07 -2.21 0.00 0.00 174.62 175.84 2kwl n THR 31 N 0.11 0.00 0.17 5.08 5.66 -1.26 -3.09 114.28 120.96 2kwl n THR 31 Ca -0.10 -0.00 0.08 0.00 -3.05 0.00 0.00 64.05 60.98 2kwl n THR 31 Cb 0.60 -0.41 0.25 0.00 -1.55 0.00 0.00 70.33 69.22 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 3.14 0.02 1.09 2.03 -1.26 -4.39 116.55 115.75 2kwl n ASP 32 Ca 0.09 -2.11 -0.02 0.00 0.52 0.00 0.00 54.79 53.27 2kwl n ASP 32 Cb 0.32 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.99 1.06 -0.81 1.67 3.41 -1.18 -4.98 113.62 113.78 2kwl n SER 33 Ca 0.18 0.15 0.01 0.00 -0.26 0.00 0.00 58.87 58.95 2kwl n SER 33 Cb 0.53 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.56 -0.13 0.05 4.33 1.74 -1.24 -1.93 116.66 115.92 2kwl n ARG 34 Ca -0.04 0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.12 2kwl n ARG 34 Cb 0.18 -0.16 0.28 0.00 -1.02 0.00 0.00 32.46 31.74 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 -0.06 0.42 -0.10 -1.55 0.04 -1.90 0.28 116.94 114.07 2kwl h PHE 35 Ca 0.00 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.74 2kwl h PHE 35 Cb 0.06 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 2kwl h PHE 35 CO 0.00 0.55 -0.15 -0.39 -0.60 0.00 0.00 178.31 177.72 2kwl h VAL 36 N 0.36 0.61 0.00 -0.55 -1.51 -1.67 0.29 116.25 113.78 2kwl h VAL 36 Ca 0.06 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.51 2kwl h VAL 36 Cb 0.51 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 2kwl h VAL 36 CO 0.03 0.00 -0.31 -0.33 -1.23 0.00 0.00 177.57 175.73 2kwl h GLU 37 N -0.20 0.00 0.46 5.19 3.07 -1.28 -3.41 114.58 118.40 2kwl h GLU 37 Ca 0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 2kwl h GLU 37 Cb 0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2kwl h GLU 37 CO -0.21 0.28 -0.27 0.22 -1.40 0.00 0.00 179.01 177.63 2kwl h ASP 38 N -1.00 -0.66 -4.25 1.42 3.58 -0.53 -3.44 116.42 111.53 2kwl h ASP 38 Ca -0.04 0.03 -0.46 0.00 0.42 0.00 0.00 57.03 56.98 2kwl h ASP 38 Cb 0.47 0.19 0.13 0.00 1.72 0.00 0.00 39.33 41.85 2kwl h ASP 38 CO -0.03 -0.42 0.34 -0.22 -2.88 0.00 0.00 179.24 176.04 2kwl s LEU 39 N -7.29 2.19 -0.49 2.28 0.20 0.10 -4.98 118.68 110.68 2kwl s LEU 39 Ca -0.10 0.74 0.03 0.00 0.69 0.00 0.00 54.13 55.48 2kwl s LEU 39 Cb 0.01 -3.01 0.49 0.00 -0.43 0.00 0.00 46.19 43.26 2kwl s LEU 39 CO 0.32 -2.53 1.73 -0.46 -0.29 0.00 0.00 176.35 175.12 2kwl n ASN 40 N -3.72 5.72 -2.40 3.68 0.23 -1.25 -4.42 115.26 113.10 2kwl n ASN 40 Ca 0.09 -3.76 -0.05 0.00 -0.53 0.00 0.00 54.58 50.33 2kwl n ASN 40 Cb 0.60 -0.76 0.02 0.00 -2.08 0.00 0.00 39.78 37.56 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 -0.93 -1.48 -2.88 -2.53 0.00 -1.26 -5.11 120.51 106.33 2kwl n ALA 41 Ca 0.54 -0.88 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 2kwl n ALA 41 Cb 0.93 0.65 -0.03 0.00 0.00 0.00 0.00 19.45 21.00 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 -2.58 5.95 0.59 0.00 1.01 -1.26 -3.49 116.67 116.88 2kwl s ASP 42 Ca 0.13 -0.09 0.29 0.00 0.71 0.00 0.00 52.55 53.59 2kwl s ASP 42 Cb -0.03 -1.62 1.44 0.00 1.01 0.00 0.00 42.92 43.72 2kwl s ASP 42 CO 0.07 -0.08 1.85 0.77 0.21 0.00 0.00 175.17 178.00 2kwl h SER 43 N 1.29 0.00 -0.44 0.27 4.64 -1.97 -1.00 113.55 116.34 2kwl h SER 43 Ca -0.50 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.91 2kwl h SER 43 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 2kwl h SER 43 CO 0.60 0.00 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.41 2kwl h LEU 44 N 0.00 -0.37 0.00 5.97 3.38 -2.01 0.29 115.31 122.57 2kwl h LEU 44 Ca 0.26 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 2kwl h LEU 44 Cb 1.36 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 2kwl h LEU 44 CO -0.00 -0.13 -0.32 -0.78 0.09 0.00 0.00 178.44 177.30 2kwl h ASP 45 N 0.02 0.00 0.97 -0.43 3.58 -1.59 -3.20 116.42 115.77 2kwl h ASP 45 Ca 0.21 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 2kwl h ASP 45 Cb 0.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2kwl h ASP 45 CO -0.44 0.31 -0.38 0.40 -2.88 0.00 0.00 179.24 176.26 2kwl h ILE 46 N 0.00 0.83 -0.60 2.25 1.08 -0.81 -3.23 117.51 117.03 2kwl h ILE 46 Ca -0.00 -1.59 0.12 0.00 -0.39 0.00 0.00 64.86 63.00 2kwl h ILE 46 Cb 1.24 2.00 -0.10 0.00 -3.07 0.00 0.00 36.82 36.89 2kwl h ILE 46 CO 0.04 0.37 0.03 0.22 -0.69 0.00 0.00 178.15 178.12 2kwl h TYR 47 N 0.00 0.02 -0.19 1.37 5.03 -0.50 -0.83 116.97 121.87 2kwl h TYR 47 Ca -0.00 0.04 -0.19 0.00 2.58 0.00 0.00 58.73 61.16 2kwl h TYR 47 Cb 0.97 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2kwl h TYR 47 CO 0.00 -0.13 -0.65 0.93 -1.32 0.00 0.00 178.16 176.99 2kwl h GLU 48 N 0.15 0.71 0.14 1.82 5.08 -1.76 -1.51 114.58 119.20 2kwl h GLU 48 Ca 0.31 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2kwl h GLU 48 Cb 0.49 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2kwl h GLU 48 CO -0.48 1.13 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.08 2kwl h LEU 49 N 0.51 -1.50 -0.44 1.33 4.07 -1.22 0.16 115.31 118.23 2kwl h LEU 49 Ca -0.02 0.15 -0.10 0.00 0.08 0.00 0.00 57.88 58.00 2kwl h LEU 49 Cb 1.25 0.55 -0.01 0.00 1.08 0.00 0.00 40.66 43.52 2kwl h LEU 49 CO 0.13 -0.54 -0.12 0.17 -1.08 0.00 0.00 178.44 177.00 2kwl h LEU 50 N -0.73 0.86 -0.74 1.67 8.10 -1.37 -1.93 115.31 121.18 2kwl h LEU 50 Ca -0.01 -0.37 0.13 0.00 0.11 0.00 0.00 57.88 57.75 2kwl h LEU 50 Cb 0.73 -0.24 -0.09 0.00 -0.44 0.00 0.00 40.66 40.62 2kwl h LEU 50 CO -0.26 1.03 0.29 0.22 -4.11 0.00 0.00 178.44 175.62 2kwl h TYR 51 N 0.68 0.50 -0.01 0.17 3.20 -0.95 0.25 116.97 120.82 2kwl h TYR 51 Ca 0.11 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 2kwl h TYR 51 Cb 0.66 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2kwl h TYR 51 CO 0.05 0.08 -0.77 -0.07 -1.64 0.00 0.00 178.16 175.81 2kwl h LEU 52 N 0.45 0.16 0.03 2.82 4.07 -0.59 -2.90 115.31 119.35 2kwl h LEU 52 Ca 0.40 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 2kwl h LEU 52 Cb 0.58 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2kwl h LEU 52 CO -0.39 0.86 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.75 2kwl h LEU 53 N 0.08 -0.03 -0.70 1.67 4.07 -0.20 -2.57 115.31 117.62 2kwl h LEU 53 Ca -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 2kwl h LEU 53 Cb 1.35 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 43.07 2kwl h LEU 53 CO 0.11 0.08 0.33 1.05 -1.08 0.00 0.00 178.44 178.92 2kwl h GLU 54 N -0.14 1.02 -0.23 1.13 4.11 -1.14 -2.01 114.58 117.31 2kwl h GLU 54 Ca -0.00 -0.16 0.07 0.00 0.07 0.00 0.00 59.36 59.34 2kwl h GLU 54 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2kwl h GLU 54 CO 0.01 0.81 0.20 1.49 0.07 0.00 0.00 179.01 181.59 2kwl h GLU 55 N 0.98 0.00 0.00 1.06 4.81 -1.35 0.30 114.58 120.38 2kwl h GLU 55 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2kwl h GLU 55 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2kwl h GLU 55 CO -0.03 0.00 -0.05 0.00 -0.73 0.00 0.00 179.01 178.20 2kwl h ALA 56 N 1.81 0.97 -0.35 2.92 0.00 -0.96 -3.17 119.26 120.49 2kwl h ALA 56 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kwl h ALA 56 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kwl h ALA 56 CO -0.00 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.50 2kwl n PHE 57 N -3.11 0.46 -3.36 0.00 3.72 0.82 -5.02 117.46 110.97 2kwl n PHE 57 Ca 0.04 -0.42 -0.13 0.00 -0.05 0.00 0.00 57.45 56.88 2kwl n PHE 57 Cb 0.53 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.71 -6.49 -3.72 4.37 8.00 0.15 -5.01 116.55 114.56 2kwl n ASP 58 Ca 0.13 -0.36 -0.05 0.00 0.71 0.00 0.00 54.79 55.22 2kwl n ASP 58 Cb 0.44 -3.62 -0.01 0.00 -0.02 0.00 0.00 41.12 37.90 2kwl n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kwl s ASP 59 N -2.83 -0.22 -0.15 -2.24 -1.08 -1.10 -5.03 116.67 104.01 2kwl s ASP 59 Ca 0.06 -0.35 -0.05 0.00 -0.52 0.00 0.00 52.55 51.69 2kwl s ASP 59 Cb -0.01 0.49 -0.03 0.00 -1.46 0.00 0.00 42.92 41.91 2kwl s ASP 59 CO 0.82 -0.89 0.02 -0.54 0.52 0.00 0.00 175.17 175.09 2kwl s LYS 60 N -3.31 3.68 -0.02 4.34 3.01 -1.26 -4.35 119.74 121.83 2kwl s LYS 60 Ca 0.11 -0.41 -0.20 0.00 -1.01 0.00 0.00 55.97 54.45 2kwl s LYS 60 Cb -0.02 -3.03 -0.12 0.00 -1.01 0.00 0.00 37.83 33.65 2kwl s LYS 60 CO 0.01 0.35 0.87 0.82 0.51 0.00 0.00 175.35 177.91 2kwl h ILE 61 N 4.82 0.22 0.00 2.17 1.08 -1.96 0.64 117.51 124.48 2kwl h ILE 61 Ca -0.38 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2kwl h ILE 61 Cb 1.18 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2kwl h ILE 61 CO 0.65 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.34 2kwl n PRO 62 N -5.18 0.49 -0.01 2.37 -0.04 -1.26 0.52 135.00 131.89 2kwl n PRO 62 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2kwl n PRO 62 Cb 0.27 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.92 0.10 0.02 0.54 2.13 -1.19 -4.47 120.64 116.86 2kwl n GLU 63 Ca 0.10 0.04 -0.02 0.00 0.66 0.00 0.00 57.16 57.94 2kwl n GLU 63 Cb 0.04 -0.51 -0.01 0.00 0.27 0.00 0.00 31.44 31.24 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 -0.18 -0.12 -0.62 4.31 -0.00 -0.95 -3.32 115.58 114.70 2kwl h ASN 64 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.30 56.38 2kwl h ASN 64 Cb 0.18 0.03 -0.04 0.00 -0.00 0.00 0.00 38.32 38.50 2kwl h ASN 64 CO 0.00 0.22 0.41 -0.33 -0.00 0.00 0.00 177.43 177.74 2kwl h GLU 65 N -0.75 0.52 -0.37 6.67 5.08 -1.37 -0.39 114.58 123.97 2kwl h GLU 65 Ca -0.01 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2kwl h GLU 65 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2kwl h GLU 65 CO 0.02 0.35 0.40 0.00 -1.00 0.00 0.00 179.01 178.78 2kwl h ALA 66 N 1.67 2.06 0.00 3.43 0.00 -0.06 0.29 119.26 126.66 2kwl h ALA 66 Ca 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2kwl h ALA 66 Cb 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kwl h ALA 66 CO -0.08 -0.59 -0.02 -2.95 0.00 0.00 0.00 179.25 175.60 2kwl h ASN 67 N 0.00 0.00 -0.23 0.00 7.08 -1.16 -3.17 115.58 118.10 2kwl h ASN 67 Ca 0.18 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.19 2kwl h ASN 67 Cb 0.98 0.00 -0.29 0.00 -2.08 0.00 0.00 38.32 36.93 2kwl h ASN 67 CO -0.00 0.02 -0.76 -0.62 -2.08 0.00 0.00 177.43 173.99 2kwl n GLU 68 N -3.79 1.50 -4.07 4.14 -0.58 0.77 -5.12 120.64 113.49 2kwl n GLU 68 Ca -0.03 -2.48 -0.31 0.00 -0.42 0.00 0.00 57.16 53.92 2kwl n GLU 68 Cb 0.10 -0.69 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 2kwl n GLU 68 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2kwl s PHE 69 N -2.02 3.24 0.28 -0.32 5.36 0.21 -4.87 117.98 119.86 2kwl s PHE 69 Ca 0.19 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 2kwl s PHE 69 Cb 0.37 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 41.38 2kwl s PHE 69 CO -0.08 0.53 0.00 -1.91 -1.46 0.00 0.00 175.22 172.30 2kwl n GLU 70 N 0.73 0.00 -3.55 10.12 2.13 -1.26 -4.95 120.64 123.87 2kwl n GLU 70 Ca -0.10 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.59 2kwl n GLU 70 Cb 0.52 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.19 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 -3.10 0.00 -0.25 6.31 -2.24 -1.26 -5.03 114.28 108.72 2kwl n THR 71 Ca 0.00 -1.57 0.05 0.00 -2.27 0.00 0.00 64.05 60.26 2kwl n THR 71 Cb 0.00 0.88 0.18 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.80 0.58 -1.04 2.28 2.07 -1.89 0.84 116.25 120.88 2kwl h VAL 72 Ca -0.20 -0.11 0.28 0.00 0.82 0.00 0.00 66.70 67.48 2kwl h VAL 72 Cb 0.92 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2kwl h VAL 72 CO 0.28 0.06 0.70 1.23 0.02 0.00 0.00 177.57 179.86 2kwl h GLY 73 N 0.33 0.75 0.79 2.17 0.00 -1.93 0.42 103.07 105.61 2kwl h GLY 73 Ca 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 2kwl h GLY 73 CO -0.46 -0.08 -0.02 -0.55 0.00 0.00 0.00 176.54 175.44 2kwl h ASP 74 N 0.26 0.31 -0.32 0.19 5.19 -1.16 -2.86 116.42 118.02 2kwl h ASP 74 Ca 0.55 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 2kwl h ASP 74 Cb 1.67 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 41.08 2kwl h ASP 74 CO -0.18 0.57 0.16 0.58 -3.12 0.00 0.00 179.24 177.25 2kwl h VAL 75 N 0.04 1.15 -0.41 -1.35 2.07 -0.93 0.23 116.25 117.06 2kwl h VAL 75 Ca 0.05 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.22 2kwl h VAL 75 Cb 0.42 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 2kwl h VAL 75 CO 0.01 0.16 -0.18 0.58 0.02 0.00 0.00 177.57 178.16 2kwl h VAL 76 N 0.39 0.44 0.00 2.57 2.07 -1.22 0.17 116.25 120.67 2kwl h VAL 76 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 2kwl h VAL 76 Cb 0.10 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2kwl h VAL 76 CO -0.02 0.00 -0.11 -0.55 0.02 0.00 0.00 177.57 176.92 2kwl h ASN 77 N -0.10 0.00 0.34 0.57 7.08 -1.37 -2.81 115.58 119.28 2kwl h ASN 77 Ca 0.20 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.40 2kwl h ASN 77 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.65 2kwl h ASN 77 CO -0.47 0.11 -0.16 0.15 -2.08 0.00 0.00 177.43 174.97 2kwl h PHE 78 N 0.00 -0.42 0.00 4.14 3.57 0.14 -3.09 116.94 121.28 2kwl h PHE 78 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kwl h PHE 78 Cb 0.77 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 2kwl h PHE 78 CO 0.00 -0.26 -0.00 0.82 -2.23 0.00 0.00 178.31 176.64 2kwl h ILE 79 N -0.90 0.14 0.26 1.41 2.04 -0.88 0.68 117.51 120.26 2kwl h ILE 79 Ca -0.05 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2kwl h ILE 79 Cb 0.35 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2kwl h ILE 79 CO 0.08 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.21 2kwl h LYS 80 N 0.00 -0.33 0.01 2.37 1.57 -1.51 -1.34 116.57 117.33 2kwl h LYS 80 Ca -0.00 0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.59 2kwl h LYS 80 Cb 0.01 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2kwl h LYS 80 CO 0.00 -0.06 -1.02 1.57 -0.57 0.00 0.00 179.45 179.37 2kwl h LYS 81 N -0.59 0.02 0.00 3.15 2.10 -1.37 -0.97 116.57 118.92 2kwl h LYS 81 Ca -0.04 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.52 2kwl h LYS 81 Cb 0.43 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2kwl h LYS 81 CO 0.06 1.02 -0.26 0.00 -2.00 0.00 0.00 179.45 178.26 2kwl h ARG 82 N 0.01 0.00 0.04 0.07 3.08 -0.89 -3.19 114.38 113.50 2kwl h ARG 82 Ca -0.02 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.66 2kwl h ARG 82 Cb 1.79 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.79 2kwl h ARG 82 CO 0.14 0.26 -2.18 1.63 -1.07 0.00 0.00 179.97 178.75 2kwl n LYS 83 N -4.06 0.67 -0.92 0.04 4.76 -0.51 -5.04 118.16 113.09 2kwl n LYS 83 Ca -0.02 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2kwl n LYS 83 Cb 0.33 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2kwl n LYS 83 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44