#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 3.67 0.00 1.61 0.04 -1.26 -5.03 135.00 134.03 2kxg s PRO 2 Ca 0.00 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2kxg s PRO 2 Cb 0.00 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2kxg s PRO 2 CO 0.00 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2kxg n GLY 3 N 0.15 -0.42 1.07 0.56 0.00 -1.26 -5.07 105.19 100.22 2kxg n GLY 3 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 2kxg n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kxg n PRO 4 N -2.29 -0.17 -0.03 1.61 -0.05 -1.26 -4.99 135.00 127.82 2kxg n PRO 4 Ca 0.00 -0.61 -0.14 0.00 -0.05 0.00 0.00 63.50 62.70 2kxg n PRO 4 Cb 0.00 -0.33 -0.02 0.00 -0.05 0.00 0.00 33.50 33.10 2kxg n PRO 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2kxg h ALA 5 N -1.59 0.49 0.05 0.55 0.00 -2.06 -3.33 119.26 113.36 2kxg h ALA 5 Ca -0.11 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.03 2kxg h ALA 5 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kxg h ALA 5 CO 0.09 0.69 -1.16 0.82 0.00 0.00 0.00 179.25 179.69 2kxg h ILE 6 N 0.53 1.09 0.00 0.00 5.03 -2.03 -3.51 117.51 118.62 2kxg h ILE 6 Ca -0.01 -2.31 0.00 0.00 -0.12 0.00 0.00 64.86 62.42 2kxg h ILE 6 Cb 1.23 2.63 0.00 0.00 -3.03 0.00 0.00 36.82 37.65 2kxg h ILE 6 CO 0.13 0.55 0.00 0.61 -0.68 0.00 0.00 178.15 178.76 2kxg n GLY 7 N 1.62 0.79 3.26 5.37 0.00 -1.25 -5.01 105.19 109.96 2kxg n GLY 7 Ca -0.26 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 2kxg n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kxg s GLU 8 N 0.00 1.10 -0.38 1.61 8.01 -1.26 -4.80 118.70 122.98 2kxg s GLU 8 Ca 0.00 -1.50 -0.15 0.00 0.01 0.00 0.00 54.97 53.33 2kxg s GLU 8 Cb 0.00 -0.49 0.00 0.00 -4.31 0.00 0.00 34.13 29.33 2kxg s GLU 8 CO 0.00 -0.02 0.31 0.08 0.01 0.00 0.00 175.26 175.64 2kxg s VAL 9 N -3.45 5.23 -0.00 2.63 1.01 -1.26 -5.05 120.40 119.50 2kxg s VAL 9 Ca 0.20 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2kxg s VAL 9 Cb 0.04 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2kxg s VAL 9 CO 0.02 -0.19 0.01 0.27 0.00 0.00 0.00 175.10 175.22 2kxg s ILE 10 N 1.80 -0.01 -5.00 2.22 -4.36 -1.26 -5.13 121.20 109.47 2kxg s ILE 10 Ca 0.07 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 2kxg s ILE 10 Cb -0.18 -0.03 0.00 0.00 1.25 0.00 0.00 42.46 43.51 2kxg s ILE 10 CO 0.11 0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.91 2kxg n GLY 11 N 3.20 0.83 3.89 6.27 0.00 -1.26 -4.71 105.19 113.42 2kxg n GLY 11 Ca -0.14 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.97 5.24 0.46 -0.61 -0.00 -0.77 -4.89 121.20 118.66 2kxg s ILE 12 Ca 0.00 0.03 -0.20 0.00 -0.00 0.00 0.00 60.65 60.49 2kxg s ILE 12 Cb 0.00 -3.61 -0.10 0.00 -0.00 0.00 0.00 42.46 38.75 2kxg s ILE 12 CO 0.00 0.17 0.97 -0.55 -0.00 0.00 0.00 174.94 175.54 2kxg s SER 13 N -2.17 6.75 0.60 4.36 0.15 -1.26 -4.11 113.70 118.01 2kxg s SER 13 Ca 0.35 1.69 0.36 0.00 0.70 0.00 0.00 55.95 59.05 2kxg s SER 13 Cb -0.13 -2.53 1.88 0.00 -1.71 0.00 0.00 66.02 63.53 2kxg s SER 13 CO 0.22 -0.50 2.20 1.62 1.20 0.00 0.00 173.24 177.98 2kxg h VAL 14 N 1.55 0.21 -0.88 4.45 3.04 -1.95 -1.82 116.25 120.85 2kxg h VAL 14 Ca -0.48 -0.26 0.17 0.00 -1.01 0.00 0.00 66.70 65.13 2kxg h VAL 14 Cb 1.19 1.20 -0.07 0.00 -2.01 0.00 0.00 31.29 31.60 2kxg h VAL 14 CO 0.61 0.03 0.57 -1.13 -1.01 0.00 0.00 177.57 176.64 2kxg h ASN 15 N 0.00 0.50 -1.76 3.17 -1.24 -2.02 -3.40 115.58 110.83 2kxg h ASN 15 Ca -0.00 0.04 -0.61 0.00 0.71 0.00 0.00 56.30 56.44 2kxg h ASN 15 Cb 0.20 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 2kxg h ASN 15 CO 0.00 0.23 1.44 -0.67 -1.29 0.00 0.00 177.43 177.14 2kxg n ASP 16 N -4.53 3.01 0.27 1.15 -0.08 -0.69 -4.84 116.55 110.84 2kxg n ASP 16 Ca 0.18 0.33 0.12 0.00 -1.51 0.00 0.00 54.79 53.91 2kxg n ASP 16 Cb 0.59 -1.47 0.78 0.00 2.34 0.00 0.00 41.12 43.36 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 13.82 0.00 0.06 -0.67 0.13 -1.90 -1.48 132.00 141.96 2kxg h PRO 17 Ca -0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 2kxg h PRO 17 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 2kxg h PRO 17 CO 0.97 0.00 -0.69 0.00 -0.23 0.00 0.00 178.00 178.05 2kxg h ARG 18 N 0.00 0.36 -0.22 0.86 -0.00 -1.93 -2.86 114.38 110.59 2kxg h ARG 18 Ca 0.00 -0.47 -0.00 0.00 -0.50 0.00 0.00 59.98 59.01 2kxg h ARG 18 Cb 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 2kxg h ARG 18 CO -0.00 1.16 0.12 0.28 0.00 0.00 0.00 179.97 181.54 2kxg h VAL 19 N -0.22 1.11 -0.78 2.04 2.07 -1.82 0.83 116.25 119.48 2kxg h VAL 19 Ca -0.10 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2kxg h VAL 19 Cb 1.46 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2kxg h VAL 19 CO 0.13 0.11 0.30 0.07 0.02 0.00 0.00 177.57 178.20 2kxg h LYS 20 N 0.25 1.17 -0.04 1.57 5.09 -1.39 0.36 116.57 123.58 2kxg h LYS 20 Ca 0.08 -0.22 -0.18 0.00 0.09 0.00 0.00 60.65 60.42 2kxg h LYS 20 Cb 0.06 -0.19 0.01 0.00 0.10 0.00 0.00 32.23 32.22 2kxg h LYS 20 CO -0.01 0.96 -0.67 1.05 -2.09 0.00 0.00 179.45 178.68 2kxg h GLU 21 N 1.13 0.53 -0.32 0.07 4.11 -1.39 -2.58 114.58 116.12 2kxg h GLU 21 Ca 0.26 -0.51 -0.06 0.00 0.07 0.00 0.00 59.36 59.11 2kxg h GLU 21 Cb 0.23 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kxg h GLU 21 CO -0.02 1.14 -0.07 0.82 0.07 0.00 0.00 179.01 180.95 2kxg h ILE 22 N 0.10 1.22 -0.15 -1.06 2.04 -0.77 -2.52 117.51 116.36 2kxg h ILE 22 Ca -0.07 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 2kxg h ILE 22 Cb 1.35 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2kxg h ILE 22 CO 0.13 0.31 0.07 0.00 0.00 0.00 0.00 178.15 178.67 2kxg h ALA 23 N 1.43 0.20 -0.45 1.87 0.00 -0.92 -2.24 119.26 119.15 2kxg h ALA 23 Ca 0.10 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2kxg h ALA 23 Cb 0.43 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2kxg h ALA 23 CO 0.02 -0.23 -0.18 1.05 0.00 0.00 0.00 179.25 179.91 2kxg h GLU 24 N 0.11 -0.08 -0.83 0.00 4.11 -1.10 0.19 114.58 116.97 2kxg h GLU 24 Ca 0.05 0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.57 2kxg h GLU 24 Cb 0.14 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2kxg h GLU 24 CO -0.01 -0.05 0.54 0.35 0.07 0.00 0.00 179.01 179.91 2kxg h PHE 25 N -0.09 0.88 -0.30 2.06 3.04 -1.27 -2.06 116.94 119.20 2kxg h PHE 25 Ca 0.22 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.22 2kxg h PHE 25 Cb 0.42 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 2kxg h PHE 25 CO -0.45 0.43 0.10 0.00 -2.02 0.00 0.00 178.31 176.37 2kxg h ALA 26 N 1.57 0.34 -0.37 2.41 0.00 -0.03 0.17 119.26 123.35 2kxg h ALA 26 Ca 0.38 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 2kxg h ALA 26 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kxg h ALA 26 CO -0.15 -0.31 -0.10 1.25 0.00 0.00 0.00 179.25 179.95 2kxg h LEU 27 N 0.22 0.73 -0.61 0.00 5.85 -0.87 -3.03 115.31 117.60 2kxg h LEU 27 Ca 0.14 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kxg h LEU 27 Cb 0.12 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2kxg h LEU 27 CO -0.15 0.93 0.00 0.07 -0.34 0.00 0.00 178.44 178.95 2kxg h LYS 28 N 0.52 0.00 0.21 1.25 2.10 -1.19 -3.24 116.57 116.21 2kxg h LYS 28 Ca 0.09 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.42 2kxg h LYS 28 Cb 0.61 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.98 2kxg h LYS 28 CO 0.04 0.00 -1.40 0.37 -2.00 0.00 0.00 179.45 176.46 2kxg h GLN 29 N 0.00 0.51 -5.01 0.07 -0.00 -0.59 -3.43 115.11 106.66 2kxg h GLN 29 Ca 0.00 -0.83 -0.64 0.00 -0.00 0.00 0.00 58.65 57.18 2kxg h GLN 29 Cb 0.68 0.30 -0.20 0.00 0.00 0.00 0.00 27.48 28.27 2kxg h GLN 29 CO 0.00 1.39 -0.58 -1.58 0.00 0.00 0.00 178.83 178.06 2kxg s HIS 30 N -2.69 3.16 -0.25 3.99 2.46 -1.15 -4.92 115.29 115.89 2kxg s HIS 30 Ca -0.08 -0.17 0.07 0.00 0.47 0.00 0.00 55.06 55.35 2kxg s HIS 30 Cb 0.05 -2.24 0.23 0.00 -0.13 0.00 0.00 32.58 30.49 2kxg s HIS 30 CO 0.93 -0.19 1.14 0.00 -2.47 0.00 0.00 174.74 174.15 2kxg n ALA 31 N 4.64 0.28 -0.03 1.58 0.00 -1.26 -4.82 120.51 120.90 2kxg n ALA 31 Ca -0.16 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.49 2kxg n ALA 31 Cb 0.52 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 0.94 0.68 -0.11 0.00 4.81 -1.98 -3.18 114.58 115.74 2kxg h GLU 32 Ca -0.32 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.47 2kxg h GLU 32 Cb 1.21 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2kxg h GLU 32 CO -0.12 1.05 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 2kxg n GLN 33 N -3.98 2.11 -2.40 1.92 10.64 -1.26 -5.05 117.38 119.36 2kxg n GLN 33 Ca -0.04 -1.89 -0.05 0.00 -1.83 0.00 0.00 57.00 53.19 2kxg n GLN 33 Cb 0.62 -1.43 -0.04 0.00 -0.86 0.00 0.00 30.24 28.53 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 1.26 -0.80 -4.03 2.61 2.85 -1.21 -5.10 115.26 110.84 2kxg n ASN 34 Ca 0.14 1.11 -0.08 0.00 -0.11 0.00 0.00 54.58 55.64 2kxg n ASN 34 Cb 0.55 -4.52 -0.10 0.00 1.24 0.00 0.00 39.78 36.96 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 -0.58 2.25 -0.16 1.20 2.34 -1.26 -4.99 118.68 117.48 2kxg s LEU 35 Ca -0.23 -0.85 0.00 0.00 0.06 0.00 0.00 54.13 53.11 2kxg s LEU 35 Cb 0.02 0.34 -0.00 0.00 -0.56 0.00 0.00 46.19 45.99 2kxg s LEU 35 CO 0.66 -0.58 -0.15 -0.63 -1.06 0.00 0.00 176.35 174.59 2kxg s ILE 36 N -3.52 2.66 -0.23 1.48 1.01 -0.88 -5.01 121.20 116.72 2kxg s ILE 36 Ca 0.03 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 2kxg s ILE 36 Cb 0.05 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 2kxg s ILE 36 CO -0.09 0.51 0.74 -0.22 0.00 0.00 0.00 174.94 175.89 2kxg s LEU 37 N 0.84 4.09 0.30 2.97 2.96 -1.26 0.67 118.68 129.25 2kxg s LEU 37 Ca -0.05 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2kxg s LEU 37 Cb -0.15 -3.04 0.49 0.00 0.50 0.00 0.00 46.19 43.98 2kxg s LEU 37 CO -0.00 -0.43 1.78 0.00 -1.32 0.00 0.00 176.35 176.38 2kxg h ALA 38 N 7.69 1.21 0.00 5.97 0.00 0.98 -3.47 119.26 131.65 2kxg h ALA 38 Ca -0.26 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kxg h ALA 38 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kxg h ALA 38 CO 0.82 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.99 2kxg n GLY 39 N -0.58 3.20 3.75 0.00 0.00 -1.02 -4.98 105.19 105.57 2kxg n GLY 39 Ca 0.00 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 2.93 -0.01 1.61 1.01 -1.26 -1.45 120.40 121.23 2kxg s VAL 40 Ca 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 2kxg s VAL 40 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2kxg s VAL 40 CO 0.00 0.14 -0.07 0.47 0.00 0.00 0.00 175.10 175.65 2kxg n ASP 41 N 2.08 0.63 -3.69 3.32 9.92 -1.06 -4.90 116.55 122.85 2kxg n ASP 41 Ca 0.05 0.10 -0.14 0.00 -0.53 0.00 0.00 54.79 54.26 2kxg n ASP 41 Cb 0.42 -0.35 -0.08 0.00 -0.64 0.00 0.00 41.12 40.47 2kxg n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kxg s ALA 42 N -2.43 -1.14 0.03 2.24 0.00 -0.90 -4.86 121.76 114.70 2kxg s ALA 42 Ca -0.06 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2kxg s ALA 42 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2kxg s ALA 42 CO 0.08 -0.27 0.04 0.41 0.00 0.00 0.00 175.76 176.02 2kxg n GLY 43 N 1.71 3.22 3.04 0.00 0.00 -1.26 0.21 105.19 112.11 2kxg n GLY 43 Ca -0.18 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.09 0.41 -0.07 1.61 -1.52 0.55 -1.85 119.66 116.71 2kxg s GLN 44 Ca 0.03 -0.56 0.02 0.00 -1.95 0.00 0.00 55.36 52.90 2kxg s GLN 44 Cb -0.00 0.16 0.01 0.00 -0.22 0.00 0.00 33.01 32.96 2kxg s GLN 44 CO 0.02 -0.09 -0.13 0.42 -0.25 0.00 0.00 175.29 175.27 2kxg s ILE 45 N -1.61 1.18 -0.30 1.08 1.01 -1.26 -0.66 121.20 120.64 2kxg s ILE 45 Ca -0.14 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 2kxg s ILE 45 Cb -0.08 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.32 2kxg s ILE 45 CO -0.01 0.37 0.10 -0.63 0.00 0.00 0.00 174.94 174.77 2kxg s ILE 46 N 0.71 4.20 0.14 2.92 1.01 0.75 -5.01 121.20 125.91 2kxg s ILE 46 Ca -0.14 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2kxg s ILE 46 Cb -0.16 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2kxg s ILE 46 CO 0.03 0.08 -0.02 -1.59 0.00 0.00 0.00 174.94 173.45 2kxg s LYS 47 N 1.54 0.97 0.15 2.79 0.00 -1.26 -2.49 119.74 121.44 2kxg s LYS 47 Ca 0.03 -1.44 0.00 0.00 0.00 0.00 0.00 55.97 54.57 2kxg s LYS 47 Cb -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 37.83 37.49 2kxg s LYS 47 CO 0.04 -0.10 0.00 0.41 0.00 0.00 0.00 175.35 175.69 2kxg n GLY 48 N -0.14 -1.74 3.06 0.59 0.00 -1.26 -5.07 105.19 100.63 2kxg n GLY 48 Ca -0.09 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.31 2.15 -0.31 -0.61 2.07 -1.26 -5.10 121.20 116.83 2kxg s ILE 49 Ca 0.00 -1.67 -0.23 0.00 -1.41 0.00 0.00 60.65 57.34 2kxg s ILE 49 Cb 0.00 -2.29 0.00 0.00 0.13 0.00 0.00 42.46 40.30 2kxg s ILE 49 CO 0.00 -0.07 0.77 -2.16 -1.91 0.00 0.00 174.94 171.57 2kxg s PRO 50 N 1.10 3.95 -0.15 3.50 0.04 -1.26 -4.84 135.00 137.33 2kxg s PRO 50 Ca -0.07 0.54 0.16 0.00 0.04 0.00 0.00 61.00 61.66 2kxg s PRO 50 Cb -0.20 -3.73 0.33 0.00 0.04 0.00 0.00 34.50 30.94 2kxg s PRO 50 CO -0.05 -0.68 1.17 1.58 0.04 0.00 0.00 177.00 179.06 2kxg n HIS 51 N 6.18 0.00 -2.95 0.56 -0.00 -1.26 -4.93 115.22 112.82 2kxg n HIS 51 Ca 0.03 -1.15 -0.19 0.00 0.46 0.00 0.00 57.72 56.87 2kxg n HIS 51 Cb 0.48 -0.19 0.03 0.00 -0.12 0.00 0.00 29.99 30.20 2kxg n HIS 51 CO 0.00 0.00 0.00 1.87 0.46 0.00 0.00 176.34 178.67 2kxg n TRP 52 N -1.24 -1.75 -1.64 1.57 -0.00 -1.26 -4.90 117.44 108.22 2kxg n TRP 52 Ca 0.16 0.48 0.06 0.00 -0.00 0.00 0.00 57.50 58.21 2kxg n TRP 52 Cb 0.67 -4.06 0.17 0.00 -0.00 0.00 0.00 31.31 28.09 2kxg n TRP 52 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kxg n ASP 53 N -1.95 1.68 -4.48 5.87 2.03 -1.26 -4.48 116.55 113.96 2kxg n ASP 53 Ca -0.09 -3.52 -0.41 0.00 0.52 0.00 0.00 54.79 51.29 2kxg n ASP 53 Cb 0.60 -0.48 0.01 0.00 -0.72 0.00 0.00 41.12 40.53 2kxg n ASP 53 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kxg n ASN 54 N -0.95 -0.60 -4.55 1.67 2.85 -1.26 -4.51 115.26 107.91 2kxg n ASN 54 Ca 0.17 0.90 -0.40 0.00 -0.11 0.00 0.00 54.58 55.14 2kxg n ASN 54 Cb 0.74 -1.16 -0.10 0.00 1.24 0.00 0.00 39.78 40.50 2kxg n ASN 54 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2kxg s TYR 55 N -1.48 3.22 -0.04 1.20 5.04 -1.04 -2.91 117.35 121.34 2kxg s TYR 55 Ca 0.64 0.00 -0.02 0.00 -2.44 0.00 0.00 57.07 55.26 2kxg s TYR 55 Cb -0.57 -2.57 -0.04 0.00 0.35 0.00 0.00 41.96 39.13 2kxg s TYR 55 CO 0.57 -0.35 0.06 0.71 -1.34 0.00 0.00 175.55 175.20 2kxg s TYR 56 N 1.92 3.27 -0.19 4.97 1.51 0.04 -0.18 117.35 128.69 2kxg s TYR 56 Ca 0.10 0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 56.35 2kxg s TYR 56 Cb -0.17 -1.77 0.09 0.00 -0.11 0.00 0.00 41.96 40.00 2kxg s TYR 56 CO 0.11 0.54 0.20 1.21 -1.11 0.00 0.00 175.55 176.51 2kxg s ASN 57 N -1.37 1.47 0.20 2.29 3.84 0.17 -0.51 114.94 121.02 2kxg s ASN 57 Ca 0.19 -0.24 0.01 0.00 0.21 0.00 0.00 52.86 53.02 2kxg s ASN 57 Cb -0.12 0.30 -0.05 0.00 -0.55 0.00 0.00 41.25 40.83 2kxg s ASN 57 CO 0.09 -0.32 0.07 -0.76 -2.79 0.00 0.00 177.10 173.38 2kxg s LEU 58 N 2.30 1.72 -0.15 3.21 1.02 -0.96 0.21 118.68 126.02 2kxg s LEU 58 Ca 0.06 -1.29 0.01 0.00 0.02 0.00 0.00 54.13 52.94 2kxg s LEU 58 Cb -0.16 0.12 0.02 0.00 0.02 0.00 0.00 46.19 46.20 2kxg s LEU 58 CO -0.11 -0.70 -0.18 -0.63 0.02 0.00 0.00 176.35 174.74 2kxg s ILE 59 N -3.86 1.84 0.33 -0.59 -1.09 0.13 -1.68 121.20 116.29 2kxg s ILE 59 Ca 0.31 -0.82 0.06 0.00 -2.23 0.00 0.00 60.65 57.97 2kxg s ILE 59 Cb 0.07 -1.67 -0.07 0.00 -1.58 0.00 0.00 42.46 39.21 2kxg s ILE 59 CO 0.08 0.50 0.01 -0.76 -1.23 0.00 0.00 174.94 173.54 2kxg s LEU 60 N 1.22 2.46 0.01 2.97 1.02 -0.48 -2.13 118.68 123.75 2kxg s LEU 60 Ca 0.01 -1.31 -0.04 0.00 0.02 0.00 0.00 54.13 52.81 2kxg s LEU 60 Cb -0.14 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.42 2kxg s LEU 60 CO -0.09 -0.47 0.22 -0.44 0.02 0.00 0.00 176.35 175.59 2kxg s SER 61 N -3.53 6.42 -0.08 2.29 0.01 -0.53 -0.71 113.70 117.56 2kxg s SER 61 Ca 0.34 0.42 -0.22 0.00 1.31 0.00 0.00 55.95 57.80 2kxg s SER 61 Cb 0.07 -2.03 0.05 0.00 0.21 0.00 0.00 66.02 64.32 2kxg s SER 61 CO 0.15 0.24 0.52 0.00 0.41 0.00 0.00 173.24 174.57 2kxg s ALA 62 N -1.34 -1.33 0.17 1.44 0.00 -0.41 0.15 121.76 120.43 2kxg s ALA 62 Ca 0.28 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2kxg s ALA 62 Cb -0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2kxg s ALA 62 CO 0.19 -0.30 0.33 -1.59 0.00 0.00 0.00 175.76 174.39 2kxg s LYS 63 N -0.79 1.21 0.00 0.00 0.00 0.21 -1.74 119.74 118.63 2kxg s LYS 63 Ca -0.09 -1.12 0.18 0.00 0.00 0.00 0.00 55.97 54.94 2kxg s LYS 63 Cb -0.03 0.41 -0.04 0.00 0.00 0.00 0.00 37.83 38.16 2kxg s LYS 63 CO 0.05 -0.46 0.89 0.72 0.00 0.00 0.00 175.35 176.55 2kxg n HIS 64 N -0.24 0.00 -3.81 1.78 8.25 -1.26 -2.06 115.22 117.87 2kxg n HIS 64 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 2kxg n HIS 64 Cb 0.63 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.20 -0.17 0.46 0.41 1.04 -1.26 -4.95 113.70 107.02 2kxg s SER 65 Ca 0.13 0.27 0.20 0.00 0.48 0.00 0.00 55.95 57.03 2kxg s SER 65 Cb 0.14 0.39 1.11 0.00 0.10 0.00 0.00 66.02 67.76 2kxg s SER 65 CO 0.51 -0.19 1.98 1.55 0.98 0.00 0.00 173.24 178.07 2kxg h PRO 66 N 5.22 0.00 -0.62 4.02 0.13 -1.97 -2.59 132.00 136.18 2kxg h PRO 66 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kxg h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kxg h PRO 66 CO 0.38 0.21 0.00 0.72 -0.23 0.00 0.00 178.00 179.07 2kxg n HIS 67 N -3.95 1.12 -4.44 1.56 8.25 -1.26 -4.94 115.22 111.55 2kxg n HIS 67 Ca -0.02 -0.45 -0.21 0.00 -0.26 0.00 0.00 57.72 56.77 2kxg n HIS 67 Cb 0.29 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.71 1.60 1.05 -0.41 2.02 -0.98 -5.15 118.70 115.13 2kxg s GLU 68 Ca 0.40 -1.85 -0.12 0.00 0.02 0.00 0.00 54.97 53.42 2kxg s GLU 68 Cb 0.25 -1.02 0.22 0.00 0.10 0.00 0.00 34.13 33.68 2kxg s GLU 68 CO 0.20 -0.07 1.07 -0.06 0.02 0.00 0.00 175.26 176.42 2kxg s PHE 69 N -3.14 1.73 -0.04 1.61 0.40 -1.26 -4.85 117.98 112.42 2kxg s PHE 69 Ca 0.32 1.21 0.05 0.00 -0.60 0.00 0.00 56.93 57.91 2kxg s PHE 69 Cb 0.06 -3.17 -0.01 0.00 0.51 0.00 0.00 43.02 40.41 2kxg s PHE 69 CO 0.13 -3.28 -0.19 -1.12 0.70 0.00 0.00 175.22 171.46 2kxg s SER 70 N -2.92 2.42 0.41 1.36 0.01 -1.26 -4.57 113.70 109.15 2kxg s SER 70 Ca 0.67 -0.40 0.07 0.00 1.31 0.00 0.00 55.95 57.61 2kxg s SER 70 Cb -0.22 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.34 2kxg s SER 70 CO 0.61 0.19 0.28 -0.54 0.41 0.00 0.00 173.24 174.18 2kxg s LYS 71 N -0.06 2.38 0.27 12.44 -0.14 -0.71 -4.78 119.74 129.13 2kxg s LYS 71 Ca -0.03 -1.69 -0.10 0.00 -1.36 0.00 0.00 55.97 52.80 2kxg s LYS 71 Cb -0.12 -2.18 -0.07 0.00 -1.68 0.00 0.00 37.83 33.78 2kxg s LYS 71 CO 0.02 -0.16 0.60 -0.06 -0.76 0.00 0.00 175.35 175.00 2kxg s PHE 72 N -2.54 3.43 -0.02 3.18 0.08 -1.26 -1.29 117.98 119.57 2kxg s PHE 72 Ca 0.45 0.91 -0.02 0.00 0.12 0.00 0.00 56.93 58.38 2kxg s PHE 72 Cb 0.00 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2kxg s PHE 72 CO 0.25 0.19 0.06 0.71 -0.10 0.00 0.00 175.22 176.33 2kxg s TYR 73 N -1.94 -0.04 -0.16 0.36 1.51 0.11 0.80 117.35 118.00 2kxg s TYR 73 Ca 0.48 0.10 -0.01 0.00 -1.01 0.00 0.00 57.07 56.63 2kxg s TYR 73 Cb -0.11 0.00 -0.01 0.00 -0.11 0.00 0.00 41.96 41.74 2kxg s TYR 73 CO 0.23 -0.05 -0.11 1.21 -1.11 0.00 0.00 175.55 175.72 2kxg s ASN 74 N -0.13 4.06 -0.01 2.29 2.47 0.13 -1.39 114.94 122.37 2kxg s ASN 74 Ca -0.02 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 52.93 2kxg s ASN 74 Cb -0.01 -1.64 -0.01 0.00 -1.45 0.00 0.00 41.25 38.13 2kxg s ASN 74 CO 0.00 0.10 -0.10 0.68 -3.72 0.00 0.00 177.10 174.06 2kxg s VAL 75 N 0.74 0.78 -0.38 -5.21 -7.23 -0.67 -0.65 120.40 107.78 2kxg s VAL 75 Ca -0.05 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 2kxg s VAL 75 Cb -0.15 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.15 2kxg s VAL 75 CO 0.02 0.21 0.23 -0.69 -0.31 0.00 0.00 175.10 174.56 2kxg s VAL 76 N -0.26 4.80 -0.08 1.32 1.01 -0.56 -2.27 120.40 124.36 2kxg s VAL 76 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2kxg s VAL 76 Cb -0.04 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2kxg s VAL 76 CO -0.00 -0.24 -0.12 -0.69 0.00 0.00 0.00 175.10 174.04 2kxg s VAL 77 N 1.60 3.21 -0.12 2.92 1.01 0.33 -0.48 120.40 128.86 2kxg s VAL 77 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2kxg s VAL 77 Cb -0.19 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2kxg s VAL 77 CO 0.08 0.57 -0.10 -0.22 0.00 0.00 0.00 175.10 175.42 2kxg s LEU 78 N -0.41 2.89 -0.12 3.92 2.96 0.71 -0.78 118.68 127.85 2kxg s LEU 78 Ca 0.05 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.53 2kxg s LEU 78 Cb -0.12 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2kxg s LEU 78 CO 0.02 0.20 0.50 -0.70 -1.32 0.00 0.00 176.35 175.05 2kxg s GLU 79 N 0.15 4.33 0.03 1.98 2.12 -1.15 -0.91 118.70 125.26 2kxg s GLU 79 Ca -0.05 0.48 0.07 0.00 0.36 0.00 0.00 54.97 55.83 2kxg s GLU 79 Cb -0.15 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 2kxg s GLU 79 CO 0.04 0.12 -0.20 0.21 -0.54 0.00 0.00 175.26 174.90 2kxg s LYS 80 N 0.74 1.38 -0.18 4.30 2.20 -0.84 -4.20 119.74 123.13 2kxg s LYS 80 Ca 0.27 -0.86 0.17 0.00 -0.36 0.00 0.00 55.97 55.19 2kxg s LYS 80 Cb -0.15 -1.44 -0.23 0.00 -1.51 0.00 0.00 37.83 34.49 2kxg s LYS 80 CO 0.11 0.37 0.07 0.00 -0.36 0.00 0.00 175.35 175.54 2kxg n ALA 81 N 2.04 1.55 -0.26 3.13 0.00 -1.26 -2.19 120.51 123.50 2kxg n ALA 81 Ca -0.17 -1.24 0.03 0.00 0.00 0.00 0.00 53.44 52.06 2kxg n ALA 81 Cb 0.53 -0.16 0.17 0.00 0.00 0.00 0.00 19.45 20.00 2kxg n ALA 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kxg h SER 82 N 0.00 0.49 -0.55 0.00 0.87 -1.95 -1.10 113.55 111.31 2kxg h SER 82 Ca -0.51 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2kxg h SER 82 Cb 2.15 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.10 2kxg h SER 82 CO 0.03 0.25 0.00 -0.67 -0.53 0.00 0.00 176.83 175.91 2kxg n ASP 83 N -4.86 3.50 -3.93 6.23 -0.08 -1.26 -4.99 116.55 111.15 2kxg n ASP 83 Ca 0.13 -1.98 -0.39 0.00 -1.51 0.00 0.00 54.79 51.04 2kxg n ASP 83 Cb 0.33 -0.36 0.02 0.00 2.34 0.00 0.00 41.12 43.45 2kxg n ASP 83 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kxg n ASN 84 N 1.22 -4.12 -2.15 1.67 3.02 -0.42 -4.92 115.26 109.57 2kxg n ASN 84 Ca 0.19 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2kxg n ASN 84 Cb 0.55 -2.41 0.01 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.44 -0.61 -4.97 6.41 3.41 -0.93 -5.03 113.62 109.46 2kxg n SER 85 Ca -0.13 -1.21 -0.19 0.00 -0.26 0.00 0.00 58.87 57.08 2kxg n SER 85 Cb 0.59 0.96 -0.01 0.00 -0.26 0.00 0.00 64.21 65.49 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 3.80 -0.13 1.04 2.01 -1.26 -1.99 118.68 122.15 2kxg s LEU 86 Ca 0.12 -0.33 -0.05 0.00 0.01 0.00 0.00 54.13 53.88 2kxg s LEU 86 Cb -0.01 -2.62 0.06 0.00 0.01 0.00 0.00 46.19 43.64 2kxg s LEU 86 CO 0.01 -0.53 0.28 -0.75 1.01 0.00 0.00 176.35 176.36 2kxg s LYS 87 N -4.20 0.18 -0.47 1.70 2.36 -0.09 -4.88 119.74 114.33 2kxg s LYS 87 Ca 0.48 0.75 -0.28 0.00 -2.55 0.00 0.00 55.97 54.36 2kxg s LYS 87 Cb -0.09 -0.01 0.03 0.00 -1.05 0.00 0.00 37.83 36.71 2kxg s LYS 87 CO 0.31 -0.26 1.10 -1.17 1.55 0.00 0.00 175.35 176.87 2kxg s LEU 88 N 2.25 3.71 -0.11 5.43 0.20 -1.26 -0.21 118.68 128.70 2kxg s LEU 88 Ca -0.01 0.41 -0.28 0.00 0.69 0.00 0.00 54.13 54.94 2kxg s LEU 88 Cb -0.12 -3.48 -0.24 0.00 -0.43 0.00 0.00 46.19 41.92 2kxg s LEU 88 CO -0.09 -1.21 0.91 0.58 -0.29 0.00 0.00 176.35 176.25 2kxg h VAL 89 N 6.20 1.67 -2.87 1.68 2.07 -1.13 -3.48 116.25 120.38 2kxg h VAL 89 Ca -0.23 -1.99 -0.12 0.00 0.82 0.00 0.00 66.70 65.18 2kxg h VAL 89 Cb 1.06 3.02 -0.21 0.00 -1.52 0.00 0.00 31.29 33.65 2kxg h VAL 89 CO 1.11 0.52 -0.23 0.00 0.02 0.00 0.00 177.57 178.98 2kxg s ALA 90 N -2.82 -0.92 -0.15 1.67 0.00 -0.85 -4.97 121.76 113.72 2kxg s ALA 90 Ca -0.18 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2kxg s ALA 90 Cb -0.02 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2kxg s ALA 90 CO 0.68 -0.24 -0.12 0.12 0.00 0.00 0.00 175.76 176.20 2kxg s PHE 91 N -0.83 2.01 0.01 0.00 2.19 -1.26 -1.50 117.98 118.60 2kxg s PHE 91 Ca -0.09 -1.14 0.03 0.00 0.33 0.00 0.00 56.93 56.07 2kxg s PHE 91 Cb -0.04 -1.50 -0.01 0.00 -1.31 0.00 0.00 43.02 40.15 2kxg s PHE 91 CO 0.04 -0.64 -0.11 0.08 1.83 0.00 0.00 175.22 176.42 2kxg s VAL 92 N 1.54 0.83 0.21 3.12 1.01 0.17 -5.02 120.40 122.26 2kxg s VAL 92 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2kxg s VAL 92 Cb -0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 2kxg s VAL 92 CO -0.10 0.08 0.93 -2.16 0.00 0.00 0.00 175.10 173.86 2kxg s PRO 93 N -0.64 4.81 -0.55 2.72 0.04 -1.26 0.19 135.00 140.31 2kxg s PRO 93 Ca 0.02 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.54 2kxg s PRO 93 Cb -0.06 -3.30 0.41 0.00 0.04 0.00 0.00 34.50 31.60 2kxg s PRO 93 CO 0.00 0.47 1.46 1.28 0.04 0.00 0.00 177.00 180.25 2kxg n LEU 94 N 1.73 5.80 0.00 -3.56 7.99 0.24 -4.73 117.00 124.47 2kxg n LEU 94 Ca -0.02 -4.95 0.00 0.00 -0.01 0.00 0.00 56.01 51.03 2kxg n LEU 94 Cb 0.48 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 2kxg n LEU 94 CO 0.50 2.02 0.00 2.22 -1.51 0.00 0.00 177.39 180.61