#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kxg s PRO 2 N 0.00 1.87 0.00 1.61 0.04 -1.26 -5.01 135.00 132.25 2kxg s PRO 2 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2kxg s PRO 2 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2kxg s PRO 2 CO 0.00 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.66 2kxg n GLY 3 N -1.77 1.21 1.60 0.56 0.00 -1.26 -5.18 105.19 100.35 2kxg n GLY 3 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2kxg n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kxg n PRO 4 N 0.00 -0.59 0.00 1.61 -0.02 -1.26 -5.08 135.00 129.66 2kxg n PRO 4 Ca 0.00 -0.85 -0.00 0.00 -2.02 0.00 0.00 63.50 60.63 2kxg n PRO 4 Cb 0.00 -0.57 -0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2kxg n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kxg n ALA 5 N -3.37 2.14 -2.93 3.55 0.00 -1.26 -4.97 120.51 113.67 2kxg n ALA 5 Ca -0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 2kxg n ALA 5 Cb 0.24 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.74 2kxg n ALA 5 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2kxg n ILE 6 N -2.73 0.24 -3.74 0.00 -5.35 -1.26 -5.10 119.36 101.42 2kxg n ILE 6 Ca -0.01 -3.50 -0.12 0.00 -0.27 0.00 0.00 62.75 58.85 2kxg n ILE 6 Cb 0.03 0.34 -0.13 0.00 -1.74 0.00 0.00 39.64 38.14 2kxg n ILE 6 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2kxg s GLY 7 N -2.42 -0.15 -0.06 3.28 0.00 -1.26 -5.15 107.32 101.56 2kxg s GLY 7 Ca 0.32 0.92 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 2kxg s GLY 7 CO -0.04 1.07 0.11 -0.54 0.00 0.00 0.00 173.10 173.71 2kxg s GLU 8 N 0.95 0.01 0.03 2.90 2.02 -1.26 -4.96 118.70 118.39 2kxg s GLU 8 Ca -0.07 0.41 0.07 0.00 0.02 0.00 0.00 54.97 55.41 2kxg s GLU 8 Cb -0.08 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.83 2kxg s GLU 8 CO -0.06 -0.25 -0.21 0.08 0.02 0.00 0.00 175.26 174.84 2kxg s VAL 9 N 1.76 1.70 0.23 2.63 1.01 -1.26 -5.15 120.40 121.33 2kxg s VAL 9 Ca -0.02 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 60.88 2kxg s VAL 9 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2kxg s VAL 9 CO -0.05 0.26 0.03 0.27 0.00 0.00 0.00 175.10 175.61 2kxg s ILE 10 N -0.75 3.71 0.00 2.22 -4.36 -1.26 -5.13 121.20 115.63 2kxg s ILE 10 Ca 0.08 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 2kxg s ILE 10 Cb -0.09 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.67 2kxg s ILE 10 CO 0.01 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.52 2kxg n GLY 11 N -0.68 2.57 3.97 6.27 0.00 -1.25 -4.84 105.19 111.22 2kxg n GLY 11 Ca -0.08 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 2kxg n GLY 11 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kxg s ILE 12 N -2.97 3.48 0.20 -0.61 -0.00 -0.69 -4.92 121.20 115.69 2kxg s ILE 12 Ca 0.00 -1.08 0.04 0.00 -0.00 0.00 0.00 60.65 59.61 2kxg s ILE 12 Cb 0.00 -3.19 -0.03 0.00 -0.00 0.00 0.00 42.46 39.23 2kxg s ILE 12 CO 0.00 -0.09 0.29 -0.44 -0.00 0.00 0.00 174.94 174.70 2kxg s SER 13 N -4.21 6.12 0.55 4.36 0.01 -1.26 -4.15 113.70 115.12 2kxg s SER 13 Ca 0.48 0.03 0.32 0.00 1.31 0.00 0.00 55.95 58.10 2kxg s SER 13 Cb -0.09 -1.76 1.59 0.00 0.21 0.00 0.00 66.02 65.98 2kxg s SER 13 CO 0.31 -0.01 2.09 1.62 0.41 0.00 0.00 173.24 177.66 2kxg h VAL 14 N 1.47 0.29 -0.84 3.43 3.04 -1.96 -2.25 116.25 119.44 2kxg h VAL 14 Ca -0.50 -0.46 0.15 0.00 -1.01 0.00 0.00 66.70 64.88 2kxg h VAL 14 Cb 1.22 1.35 -0.06 0.00 -2.01 0.00 0.00 31.29 31.78 2kxg h VAL 14 CO 0.64 0.07 0.55 -1.13 -1.01 0.00 0.00 177.57 176.69 2kxg h ASN 15 N 0.00 0.53 -2.08 3.17 -0.73 -2.01 -3.41 115.58 111.06 2kxg h ASN 15 Ca -0.00 0.03 -0.57 0.00 1.87 0.00 0.00 56.30 57.63 2kxg h ASN 15 Cb 0.35 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.87 2kxg h ASN 15 CO 0.01 0.27 1.40 -0.67 -0.37 0.00 0.00 177.43 178.07 2kxg n ASP 16 N -4.53 3.54 0.21 1.15 -0.08 -0.85 -4.86 116.55 111.13 2kxg n ASP 16 Ca 0.16 0.45 0.14 0.00 -1.51 0.00 0.00 54.79 54.03 2kxg n ASP 16 Cb 0.51 -1.54 0.76 0.00 2.34 0.00 0.00 41.12 43.19 2kxg n ASP 16 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2kxg h PRO 17 N 13.48 0.00 0.01 -0.67 0.13 -1.90 -2.05 132.00 141.00 2kxg h PRO 17 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2kxg h PRO 17 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kxg h PRO 17 CO 0.95 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.57 2kxg h ARG 18 N 0.00 0.09 -0.87 0.86 -0.00 -1.93 -2.93 114.38 109.60 2kxg h ARG 18 Ca 0.07 -0.11 0.05 0.00 -0.50 0.00 0.00 59.98 59.49 2kxg h ARG 18 Cb 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.26 2kxg h ARG 18 CO -0.00 0.92 0.55 0.28 0.00 0.00 0.00 179.97 181.72 2kxg h VAL 19 N -0.70 1.08 -0.41 2.04 2.07 -1.81 0.23 116.25 118.75 2kxg h VAL 19 Ca -0.02 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.01 2kxg h VAL 19 Cb 0.98 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2kxg h VAL 19 CO 0.03 0.19 -0.28 0.07 0.02 0.00 0.00 177.57 177.59 2kxg h LYS 20 N 1.02 0.91 -0.19 1.57 5.09 -1.49 -1.05 116.57 122.44 2kxg h LYS 20 Ca 0.37 -0.44 -0.22 0.00 0.09 0.00 0.00 60.65 60.46 2kxg h LYS 20 Cb 0.12 -0.01 0.01 0.00 0.10 0.00 0.00 32.23 32.45 2kxg h LYS 20 CO -0.15 1.09 -0.72 1.05 -2.09 0.00 0.00 179.45 178.62 2kxg h GLU 21 N 0.74 0.82 -0.64 0.07 4.11 -1.27 -2.63 114.58 115.77 2kxg h GLU 21 Ca 0.08 -0.63 -0.09 0.00 0.07 0.00 0.00 59.36 58.78 2kxg h GLU 21 Cb 0.87 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2kxg h GLU 21 CO 0.08 1.25 0.05 0.82 0.07 0.00 0.00 179.01 181.27 2kxg h ILE 22 N 0.58 1.27 -0.20 -1.06 2.04 -0.56 -2.51 117.51 117.07 2kxg h ILE 22 Ca -0.04 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2kxg h ILE 22 Cb 1.35 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2kxg h ILE 22 CO 0.15 0.41 0.13 0.00 0.00 0.00 0.00 178.15 178.84 2kxg h ALA 23 N 1.02 0.25 -0.23 1.87 0.00 -1.18 -1.99 119.26 118.99 2kxg h ALA 23 Ca 0.19 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2kxg h ALA 23 Cb 0.51 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2kxg h ALA 23 CO 0.02 -0.27 -0.22 1.05 0.00 0.00 0.00 179.25 179.83 2kxg h GLU 24 N 0.27 -0.22 -0.69 0.00 4.11 -1.30 -0.24 114.58 116.51 2kxg h GLU 24 Ca 0.07 0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.60 2kxg h GLU 24 Cb -0.03 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2kxg h GLU 24 CO -0.02 -0.15 0.45 0.35 0.07 0.00 0.00 179.01 179.72 2kxg h PHE 25 N -0.23 0.65 -0.24 2.06 3.04 -1.25 -1.53 116.94 119.45 2kxg h PHE 25 Ca 0.13 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.12 2kxg h PHE 25 Cb 0.43 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 2kxg h PHE 25 CO -0.37 0.32 0.09 0.00 -2.02 0.00 0.00 178.31 176.33 2kxg h ALA 26 N 1.64 0.27 -0.14 2.41 0.00 -0.28 0.18 119.26 123.34 2kxg h ALA 26 Ca 0.31 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2kxg h ALA 26 Cb 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kxg h ALA 26 CO -0.10 -0.32 -0.08 1.25 0.00 0.00 0.00 179.25 180.00 2kxg h LEU 27 N 0.21 0.32 -1.37 0.00 5.85 -0.93 -2.77 115.31 116.62 2kxg h LEU 27 Ca 0.10 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2kxg h LEU 27 Cb 0.06 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2kxg h LEU 27 CO -0.10 0.68 0.00 0.07 -0.34 0.00 0.00 178.44 178.75 2kxg h LYS 28 N -0.04 0.00 0.14 1.25 2.10 -1.19 -3.09 116.57 115.75 2kxg h LYS 28 Ca 0.03 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.36 2kxg h LYS 28 Cb 0.56 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2kxg h LYS 28 CO 0.02 0.00 -1.63 0.37 -2.00 0.00 0.00 179.45 176.22 2kxg h GLN 29 N 0.00 0.30 0.00 0.07 5.75 -0.56 -3.44 115.11 117.23 2kxg h GLN 29 Ca 0.00 -0.52 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 2kxg h GLN 29 Cb 0.40 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.15 2kxg h GLN 29 CO 0.00 1.18 0.00 1.58 -2.65 0.00 0.00 178.83 178.94 2kxg n HIS 30 N -3.50 0.00 -3.25 3.99 -0.00 -1.05 -4.87 115.22 106.54 2kxg n HIS 30 Ca -0.20 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.75 2kxg n HIS 30 Cb 1.06 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.96 2kxg n HIS 30 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kxg n ALA 31 N -3.00 -1.06 -0.15 1.57 0.00 -1.25 -4.88 120.51 111.75 2kxg n ALA 31 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 2kxg n ALA 31 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 19.45 15.78 2kxg n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2kxg h GLU 32 N -1.47 0.88 0.00 0.00 4.57 -1.95 -3.21 114.58 113.41 2kxg h GLU 32 Ca -0.51 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.45 2kxg h GLU 32 Cb 1.35 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2kxg h GLU 32 CO 0.57 0.84 -0.03 0.00 -1.18 0.00 0.00 179.01 179.21 2kxg n GLN 33 N -4.23 1.99 -2.25 1.92 10.64 -1.26 -5.06 117.38 119.14 2kxg n GLN 33 Ca 0.03 -1.63 -0.01 0.00 -1.83 0.00 0.00 57.00 53.56 2kxg n GLN 33 Cb 0.28 -1.04 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 2kxg n GLN 33 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2kxg n ASN 34 N -0.66 -5.58 -4.34 2.61 2.85 -1.21 -5.09 115.26 103.84 2kxg n ASN 34 Ca 0.04 0.69 -0.20 0.00 -0.11 0.00 0.00 54.58 55.01 2kxg n ASN 34 Cb 0.41 -3.60 -0.10 0.00 1.24 0.00 0.00 39.78 37.73 2kxg n ASN 34 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2kxg s LEU 35 N -1.28 2.51 -0.15 1.20 0.05 -1.26 -4.96 118.68 114.80 2kxg s LEU 35 Ca 0.05 -0.96 0.01 0.00 0.05 0.00 0.00 54.13 53.28 2kxg s LEU 35 Cb -0.01 -0.74 0.00 0.00 -2.05 0.00 0.00 46.19 43.40 2kxg s LEU 35 CO 0.46 -0.12 -0.19 -0.63 -0.55 0.00 0.00 176.35 175.33 2kxg s ILE 36 N -2.61 2.33 -0.38 1.48 1.01 -0.81 -4.88 121.20 117.34 2kxg s ILE 36 Ca 0.20 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2kxg s ILE 36 Cb -0.03 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.50 2kxg s ILE 36 CO 0.07 0.53 0.67 -0.22 0.00 0.00 0.00 174.94 175.99 2kxg s LEU 37 N 0.82 4.28 0.47 2.97 2.96 -1.26 0.58 118.68 129.51 2kxg s LEU 37 Ca -0.06 0.07 0.21 0.00 -0.22 0.00 0.00 54.13 54.13 2kxg s LEU 37 Cb -0.15 -2.82 1.19 0.00 0.50 0.00 0.00 46.19 44.90 2kxg s LEU 37 CO -0.01 -0.67 2.00 0.00 -1.32 0.00 0.00 176.35 176.35 2kxg h ALA 38 N 8.57 1.40 0.00 5.97 0.00 0.02 -3.47 119.26 131.76 2kxg h ALA 38 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kxg h ALA 38 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kxg h ALA 38 CO 0.86 0.23 0.00 0.41 0.00 0.00 0.00 179.25 180.75 2kxg n GLY 39 N -0.71 2.28 3.74 0.00 0.00 -1.00 -4.98 105.19 104.52 2kxg n GLY 39 Ca -0.02 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2kxg n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kxg s VAL 40 N -2.00 3.99 -0.02 1.61 1.01 -1.26 -0.99 120.40 122.73 2kxg s VAL 40 Ca 0.00 1.79 -0.03 0.00 0.00 0.00 0.00 61.98 63.75 2kxg s VAL 40 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2kxg s VAL 40 CO 0.00 0.34 -0.05 -0.67 0.00 0.00 0.00 175.10 174.72 2kxg n ASP 41 N 2.10 0.36 -3.52 3.32 2.03 -1.09 -4.85 116.55 114.89 2kxg n ASP 41 Ca 0.01 0.06 -0.06 0.00 0.52 0.00 0.00 54.79 55.32 2kxg n ASP 41 Cb 0.47 -0.40 -0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2kxg n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kxg s ALA 42 N -2.68 -1.28 0.00 -1.67 0.00 -0.81 -4.87 121.76 110.45 2kxg s ALA 42 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2kxg s ALA 42 Cb 0.01 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.86 2kxg s ALA 42 CO 0.06 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2kxg n GLY 43 N -0.52 1.60 3.39 0.00 0.00 -1.26 -0.16 105.19 108.25 2kxg n GLY 43 Ca -0.05 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2kxg n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kxg s GLN 44 N -0.11 0.56 -0.16 1.61 -0.21 0.54 -1.71 119.66 120.19 2kxg s GLN 44 Ca 0.00 0.75 -0.00 0.00 0.02 0.00 0.00 55.36 56.12 2kxg s GLN 44 Cb 0.00 0.23 -0.01 0.00 1.00 0.00 0.00 33.01 34.23 2kxg s GLN 44 CO 0.00 -0.09 -0.13 0.42 -2.12 0.00 0.00 175.29 173.37 2kxg s ILE 45 N 0.54 2.89 -0.26 1.08 1.01 -1.26 -0.00 121.20 125.20 2kxg s ILE 45 Ca -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2kxg s ILE 45 Cb -0.04 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 2kxg s ILE 45 CO -0.03 0.51 0.03 -0.63 0.00 0.00 0.00 174.94 174.81 2kxg s ILE 46 N 0.75 3.75 0.12 2.92 1.01 -0.41 -5.02 121.20 124.32 2kxg s ILE 46 Ca -0.05 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.06 2kxg s ILE 46 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2kxg s ILE 46 CO 0.01 0.26 -0.02 -1.59 0.00 0.00 0.00 174.94 173.60 2kxg s LYS 47 N 1.50 0.89 0.00 2.79 0.00 -1.26 -2.50 119.74 121.16 2kxg s LYS 47 Ca 0.04 -1.39 0.00 0.00 0.00 0.00 0.00 55.97 54.62 2kxg s LYS 47 Cb -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 37.83 37.60 2kxg s LYS 47 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.35 175.65 2kxg n GLY 48 N -0.08 -0.11 3.08 0.59 0.00 -1.26 -5.05 105.19 102.36 2kxg n GLY 48 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2kxg n GLY 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kxg s ILE 49 N -0.80 2.13 -0.37 -0.61 2.07 -1.26 -5.09 121.20 117.27 2kxg s ILE 49 Ca 0.00 -1.47 -0.27 0.00 -1.41 0.00 0.00 60.65 57.49 2kxg s ILE 49 Cb 0.00 -2.17 0.02 0.00 0.13 0.00 0.00 42.46 40.43 2kxg s ILE 49 CO 0.00 0.10 1.01 -2.16 -1.91 0.00 0.00 174.94 171.98 2kxg s PRO 50 N 1.15 3.91 -0.12 3.50 0.04 -1.26 -4.81 135.00 137.41 2kxg s PRO 50 Ca -0.06 0.76 0.17 0.00 0.04 0.00 0.00 61.00 61.91 2kxg s PRO 50 Cb -0.18 -3.79 0.27 0.00 0.04 0.00 0.00 34.50 30.83 2kxg s PRO 50 CO -0.07 -0.99 1.14 0.72 0.04 0.00 0.00 177.00 177.84 2kxg n HIS 51 N 6.96 0.00 -2.39 0.56 8.25 -1.26 -4.94 115.22 122.40 2kxg n HIS 51 Ca 0.10 -0.92 -0.09 0.00 -0.26 0.00 0.00 57.72 56.55 2kxg n HIS 51 Cb 0.48 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.45 2kxg n HIS 51 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 2kxg n TRP 52 N -1.29 -0.63 -1.54 4.41 -0.00 -1.26 -4.90 117.44 112.23 2kxg n TRP 52 Ca 0.15 0.12 0.07 0.00 -0.00 0.00 0.00 57.50 57.83 2kxg n TRP 52 Cb 0.65 -2.34 0.17 0.00 -0.00 0.00 0.00 31.31 29.78 2kxg n TRP 52 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2kxg n ASP 53 N 0.16 1.77 -4.68 5.87 5.75 -1.25 -4.17 116.55 120.00 2kxg n ASP 53 Ca -0.07 -3.48 -0.38 0.00 -0.01 0.00 0.00 54.79 50.84 2kxg n ASP 53 Cb 0.56 -0.47 0.05 0.00 -1.03 0.00 0.00 41.12 40.23 2kxg n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kxg n ASN 54 N -1.05 1.70 -4.77 -1.12 5.15 -1.26 -4.62 115.26 109.29 2kxg n ASN 54 Ca 0.17 0.89 -0.36 0.00 -0.60 0.00 0.00 54.58 54.68 2kxg n ASN 54 Cb 0.71 -1.48 -0.07 0.00 -0.53 0.00 0.00 39.78 38.41 2kxg n ASN 54 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2kxg s TYR 55 N -1.39 3.48 -0.06 1.20 1.51 -1.04 -2.38 117.35 118.67 2kxg s TYR 55 Ca 0.75 0.46 0.06 0.00 -1.01 0.00 0.00 57.07 57.32 2kxg s TYR 55 Cb -0.42 -2.15 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 2kxg s TYR 55 CO 0.47 0.40 -0.24 0.71 -1.11 0.00 0.00 175.55 175.79 2kxg s TYR 56 N -0.01 2.48 -0.19 2.71 1.51 0.78 -1.29 117.35 123.35 2kxg s TYR 56 Ca 0.12 -0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2kxg s TYR 56 Cb -0.12 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 2kxg s TYR 56 CO 0.01 -0.18 -0.01 1.21 -1.11 0.00 0.00 175.55 175.47 2kxg s ASN 57 N -0.19 3.09 0.12 2.29 2.47 1.00 -0.49 114.94 123.22 2kxg s ASN 57 Ca -0.03 -0.84 -0.03 0.00 0.42 0.00 0.00 52.86 52.38 2kxg s ASN 57 Cb -0.14 -0.83 -0.03 0.00 -1.45 0.00 0.00 41.25 38.80 2kxg s ASN 57 CO 0.03 -0.25 0.08 -0.76 -3.72 0.00 0.00 177.10 172.49 2kxg s LEU 58 N 1.68 1.77 -0.03 3.21 1.02 -1.02 0.20 118.68 125.51 2kxg s LEU 58 Ca -0.02 -1.07 0.06 0.00 0.02 0.00 0.00 54.13 53.13 2kxg s LEU 58 Cb -0.17 0.47 -0.01 0.00 0.02 0.00 0.00 46.19 46.50 2kxg s LEU 58 CO -0.07 -0.73 -0.22 -0.63 0.02 0.00 0.00 176.35 174.72 2kxg s ILE 59 N -3.99 1.77 0.19 -0.59 -1.09 0.78 -1.24 121.20 117.03 2kxg s ILE 59 Ca 0.18 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.63 2kxg s ILE 59 Cb 0.07 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.43 2kxg s ILE 59 CO -0.02 0.50 0.16 -0.76 -1.23 0.00 0.00 174.94 173.59 2kxg s LEU 60 N -0.35 1.17 0.00 2.97 1.02 -0.59 -1.92 118.68 120.97 2kxg s LEU 60 Ca 0.04 -1.28 -0.16 0.00 0.02 0.00 0.00 54.13 52.74 2kxg s LEU 60 Cb -0.10 0.55 -0.06 0.00 0.02 0.00 0.00 46.19 46.60 2kxg s LEU 60 CO 0.01 -0.85 0.46 -0.44 0.02 0.00 0.00 176.35 175.54 2kxg s SER 61 N -3.12 6.85 -0.10 2.29 0.01 -0.16 -1.48 113.70 118.00 2kxg s SER 61 Ca 0.33 1.02 -0.24 0.00 1.31 0.00 0.00 55.95 58.37 2kxg s SER 61 Cb 0.06 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 64.06 2kxg s SER 61 CO 0.09 0.27 0.56 0.00 0.41 0.00 0.00 173.24 174.57 2kxg s ALA 62 N -0.83 -1.44 0.16 1.44 0.00 -0.33 0.77 121.76 121.54 2kxg s ALA 62 Ca 0.25 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 2kxg s ALA 62 Cb -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2kxg s ALA 62 CO 0.14 -0.31 0.34 -1.59 0.00 0.00 0.00 175.76 174.34 2kxg s LYS 63 N -0.71 1.18 0.00 0.00 0.00 0.20 -2.15 119.74 118.25 2kxg s LYS 63 Ca -0.08 -1.07 0.21 0.00 0.00 0.00 0.00 55.97 55.03 2kxg s LYS 63 Cb -0.03 0.41 0.07 0.00 0.00 0.00 0.00 37.83 38.28 2kxg s LYS 63 CO 0.06 -0.45 1.07 0.72 0.00 0.00 0.00 175.35 176.75 2kxg n HIS 64 N -0.23 0.00 -3.79 1.78 8.25 -1.26 -1.92 115.22 118.05 2kxg n HIS 64 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 2kxg n HIS 64 Cb 0.63 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.64 2kxg n HIS 64 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kxg s SER 65 N -2.06 -0.22 0.35 0.41 1.04 -1.26 -4.95 113.70 107.02 2kxg s SER 65 Ca 0.20 0.31 0.07 0.00 0.48 0.00 0.00 55.95 57.01 2kxg s SER 65 Cb 0.17 0.44 0.65 0.00 0.10 0.00 0.00 66.02 67.38 2kxg s SER 65 CO 0.41 -0.25 1.85 1.55 0.98 0.00 0.00 173.24 177.78 2kxg h PRO 66 N 4.92 0.34 -0.57 4.02 0.13 -1.96 -2.32 132.00 136.57 2kxg h PRO 66 Ca -0.28 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kxg h PRO 66 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kxg h PRO 66 CO 0.36 0.49 0.00 0.72 -0.23 0.00 0.00 178.00 179.34 2kxg n HIS 67 N -4.22 0.79 -4.44 1.56 8.25 -1.26 -4.91 115.22 110.99 2kxg n HIS 67 Ca -0.00 -0.32 -0.26 0.00 -0.26 0.00 0.00 57.72 56.88 2kxg n HIS 67 Cb 0.31 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 2kxg n HIS 67 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2kxg s GLU 68 N -1.69 2.00 0.88 -0.41 2.02 -0.87 -5.15 118.70 115.49 2kxg s GLU 68 Ca 0.27 -1.91 -0.15 0.00 0.02 0.00 0.00 54.97 53.20 2kxg s GLU 68 Cb 0.17 -1.80 0.23 0.00 0.10 0.00 0.00 34.13 32.83 2kxg s GLU 68 CO 0.13 0.05 0.64 1.19 0.02 0.00 0.00 175.26 177.29 2kxg n PHE 69 N -0.96 -3.37 -4.03 1.61 3.01 -1.26 -4.88 117.46 107.57 2kxg n PHE 69 Ca -0.04 -0.59 -0.25 0.00 1.01 0.00 0.00 57.45 57.58 2kxg n PHE 69 Cb 0.64 -0.78 -0.17 0.00 -0.01 0.00 0.00 39.48 39.16 2kxg n PHE 69 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2kxg s SER 70 N -3.06 1.92 0.41 4.37 0.01 -1.26 -4.55 113.70 111.54 2kxg s SER 70 Ca 0.45 -0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2kxg s SER 70 Cb -0.06 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 2kxg s SER 70 CO 0.36 -0.10 0.25 -0.54 0.41 0.00 0.00 173.24 173.63 2kxg s LYS 71 N 1.49 2.35 0.19 12.44 3.01 -0.91 -4.82 119.74 133.48 2kxg s LYS 71 Ca 0.00 -1.71 -0.08 0.00 -1.01 0.00 0.00 55.97 53.17 2kxg s LYS 71 Cb -0.13 -2.14 -0.07 0.00 -1.01 0.00 0.00 37.83 34.48 2kxg s LYS 71 CO -0.05 -0.13 0.48 -0.06 0.51 0.00 0.00 175.35 176.09 2kxg s PHE 72 N -2.54 3.46 -0.06 3.18 0.40 -1.26 -1.18 117.98 119.98 2kxg s PHE 72 Ca 0.44 0.76 -0.05 0.00 -0.60 0.00 0.00 56.93 57.48 2kxg s PHE 72 Cb 0.01 -2.16 0.02 0.00 0.51 0.00 0.00 43.02 41.40 2kxg s PHE 72 CO 0.25 0.35 0.15 0.71 0.70 0.00 0.00 175.22 177.37 2kxg s TYR 73 N -1.72 -0.16 -0.18 0.36 1.51 -0.55 0.56 117.35 117.16 2kxg s TYR 73 Ca 0.44 0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 56.88 2kxg s TYR 73 Cb -0.12 0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.74 2kxg s TYR 73 CO 0.22 -0.10 -0.03 1.21 -1.11 0.00 0.00 175.55 175.75 2kxg s ASN 74 N 0.31 4.72 0.05 2.29 2.47 0.10 -1.54 114.94 123.34 2kxg s ASN 74 Ca -0.02 -0.20 0.06 0.00 0.42 0.00 0.00 52.86 53.12 2kxg s ASN 74 Cb -0.03 -1.79 -0.02 0.00 -1.45 0.00 0.00 41.25 37.96 2kxg s ASN 74 CO -0.01 0.10 -0.17 0.68 -3.72 0.00 0.00 177.10 173.98 2kxg s VAL 75 N 0.77 1.36 -0.29 -5.21 -7.23 -0.37 -0.95 120.40 108.48 2kxg s VAL 75 Ca -0.01 -1.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 2kxg s VAL 75 Cb -0.14 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 2kxg s VAL 75 CO 0.02 0.05 0.15 -0.69 -0.31 0.00 0.00 175.10 174.32 2kxg s VAL 76 N -0.89 4.78 -0.06 1.32 1.01 -0.31 -2.44 120.40 123.80 2kxg s VAL 76 Ca 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2kxg s VAL 76 Cb -0.09 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2kxg s VAL 76 CO 0.02 0.16 -0.23 0.68 0.00 0.00 0.00 175.10 175.73 2kxg s VAL 77 N 1.66 2.21 -0.16 2.92 -7.23 0.36 0.16 120.40 120.32 2kxg s VAL 77 Ca 0.06 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2kxg s VAL 77 Cb -0.16 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2kxg s VAL 77 CO 0.07 0.57 -0.17 -0.22 -0.31 0.00 0.00 175.10 175.04 2kxg s LEU 78 N -0.17 2.38 -0.18 1.32 2.96 0.57 -0.15 118.68 125.40 2kxg s LEU 78 Ca -0.03 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.16 2kxg s LEU 78 Cb -0.14 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2kxg s LEU 78 CO 0.04 0.07 0.61 -0.70 -1.32 0.00 0.00 176.35 175.05 2kxg s GLU 79 N 0.90 4.23 0.09 1.98 2.12 -1.00 -0.71 118.70 126.31 2kxg s GLU 79 Ca -0.04 0.60 0.07 0.00 0.36 0.00 0.00 54.97 55.96 2kxg s GLU 79 Cb -0.15 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2kxg s GLU 79 CO -0.02 -0.19 -0.19 0.15 -0.54 0.00 0.00 175.26 174.47 2kxg s LYS 80 N 1.73 1.05 -0.15 4.30 3.01 -0.88 -3.92 119.74 124.88 2kxg s LYS 80 Ca 0.29 -1.09 0.19 0.00 -1.01 0.00 0.00 55.97 54.34 2kxg s LYS 80 Cb -0.16 -1.24 -0.27 0.00 -1.01 0.00 0.00 37.83 35.15 2kxg s LYS 80 CO 0.11 0.29 0.18 0.00 0.51 0.00 0.00 175.35 176.43 2kxg n ALA 81 N 1.18 1.84 -0.26 5.17 0.00 -1.26 -2.26 120.51 124.91 2kxg n ALA 81 Ca -0.20 -1.12 0.02 0.00 0.00 0.00 0.00 53.44 52.15 2kxg n ALA 81 Cb 0.54 -0.32 0.16 0.00 0.00 0.00 0.00 19.45 19.82 2kxg n ALA 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kxg h SER 82 N 0.00 0.53 0.20 0.00 0.02 -1.95 -0.80 113.55 111.54 2kxg h SER 82 Ca -0.40 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2kxg h SER 82 Cb 1.91 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.42 2kxg h SER 82 CO 0.02 0.29 -0.49 -0.67 -1.14 0.00 0.00 176.83 174.85 2kxg n ASP 83 N -4.83 1.14 -3.30 3.07 2.03 -1.26 -4.98 116.55 108.42 2kxg n ASP 83 Ca 0.12 -0.91 -0.16 0.00 0.52 0.00 0.00 54.79 54.36 2kxg n ASP 83 Cb 0.29 0.39 0.08 0.00 -0.72 0.00 0.00 41.12 41.16 2kxg n ASP 83 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kxg n ASN 84 N -0.84 -2.18 -0.32 1.67 3.02 -0.31 -4.96 115.26 111.34 2kxg n ASN 84 Ca 0.09 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2kxg n ASN 84 Cb 0.37 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 2kxg n ASN 84 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2kxg n SER 85 N -3.02 0.00 -4.93 6.41 3.41 -0.96 -5.03 113.62 109.49 2kxg n SER 85 Ca -0.27 -0.32 -0.19 0.00 -0.26 0.00 0.00 58.87 57.83 2kxg n SER 85 Cb 0.66 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 2kxg n SER 85 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kxg s LEU 86 N 0.00 3.48 -0.16 1.04 2.01 -1.26 -2.07 118.68 121.72 2kxg s LEU 86 Ca 0.00 -0.63 -0.05 0.00 0.01 0.00 0.00 54.13 53.46 2kxg s LEU 86 Cb 0.00 -2.27 0.08 0.00 0.01 0.00 0.00 46.19 44.01 2kxg s LEU 86 CO 0.00 -0.72 0.30 -0.75 1.01 0.00 0.00 176.35 176.20 2kxg s LYS 87 N -4.23 0.21 -0.55 1.70 2.36 0.11 -4.85 119.74 114.48 2kxg s LYS 87 Ca 0.51 0.73 -0.28 0.00 -2.55 0.00 0.00 55.97 54.38 2kxg s LYS 87 Cb -0.06 -0.12 0.03 0.00 -1.05 0.00 0.00 37.83 36.63 2kxg s LYS 87 CO 0.30 -0.35 1.24 -1.17 1.55 0.00 0.00 175.35 176.92 2kxg s LEU 88 N 2.46 3.47 -0.06 5.43 0.20 -1.26 -0.32 118.68 128.61 2kxg s LEU 88 Ca 0.02 0.23 -0.21 0.00 0.69 0.00 0.00 54.13 54.87 2kxg s LEU 88 Cb -0.13 -3.23 -0.16 0.00 -0.43 0.00 0.00 46.19 42.25 2kxg s LEU 88 CO -0.10 -1.49 0.83 0.58 -0.29 0.00 0.00 176.35 175.87 2kxg h VAL 89 N 6.23 0.87 -3.69 1.68 2.07 -0.64 -3.48 116.25 119.29 2kxg h VAL 89 Ca -0.25 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 65.93 2kxg h VAL 89 Cb 1.07 1.48 -0.20 0.00 -1.52 0.00 0.00 31.29 32.12 2kxg h VAL 89 CO 1.17 0.23 -0.54 0.00 0.02 0.00 0.00 177.57 178.45 2kxg s ALA 90 N -3.56 -0.16 -0.13 1.67 0.00 -0.96 -4.97 121.76 113.65 2kxg s ALA 90 Ca -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2kxg s ALA 90 Cb 0.00 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2kxg s ALA 90 CO 0.47 -0.23 -0.11 0.12 0.00 0.00 0.00 175.76 176.01 2kxg s PHE 91 N -1.74 1.82 -0.01 0.00 2.19 -1.26 -1.16 117.98 117.81 2kxg s PHE 91 Ca -0.12 -0.97 0.03 0.00 0.33 0.00 0.00 56.93 56.20 2kxg s PHE 91 Cb -0.06 -1.41 -0.01 0.00 -1.31 0.00 0.00 43.02 40.24 2kxg s PHE 91 CO -0.01 -0.58 -0.10 0.08 1.83 0.00 0.00 175.22 176.44 2kxg s VAL 92 N 1.57 0.78 0.09 3.12 1.01 -0.12 -5.02 120.40 121.83 2kxg s VAL 92 Ca 0.04 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 2kxg s VAL 92 Cb -0.13 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2kxg s VAL 92 CO -0.09 0.23 0.84 -2.16 0.00 0.00 0.00 175.10 173.92 2kxg s PRO 93 N -0.13 4.59 -0.57 2.72 0.04 -1.26 0.01 135.00 140.40 2kxg s PRO 93 Ca 0.02 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.31 2kxg s PRO 93 Cb -0.05 -3.35 0.42 0.00 0.04 0.00 0.00 34.50 31.56 2kxg s PRO 93 CO -0.00 0.31 1.61 1.28 0.04 0.00 0.00 177.00 180.24 2kxg n LEU 94 N 2.56 6.27 0.00 -3.56 4.77 0.19 -4.77 117.00 122.47 2kxg n LEU 94 Ca -0.01 -4.76 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 2kxg n LEU 94 Cb 0.49 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2kxg n LEU 94 CO 0.48 1.88 0.05 2.22 -1.33 0.00 0.00 177.39 180.69