#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kaw s ILE 2 N 0.00 5.33 -0.08 -1.44 1.01 -1.26 -0.07 121.20 124.69 2kaw s ILE 2 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.01 2kaw s ILE 2 Cb 0.00 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 2kaw s ILE 2 CO 0.00 0.35 -0.22 -0.63 0.00 0.00 0.00 174.94 174.44 2kaw s ILE 3 N 0.93 1.87 -0.41 2.92 1.01 0.04 -4.98 121.20 122.58 2kaw s ILE 3 Ca 0.11 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2kaw s ILE 3 Cb -0.13 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.79 2kaw s ILE 3 CO 0.04 0.52 0.26 -0.89 0.00 0.00 0.00 174.94 174.86 2kaw s THR 4 N 0.27 4.41 0.20 2.92 2.01 -1.26 -1.49 115.64 122.70 2kaw s THR 4 Ca -0.14 -1.22 0.06 0.00 0.31 0.00 0.00 61.69 60.69 2kaw s THR 4 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2kaw s THR 4 CO 0.07 -0.44 0.15 0.68 -0.69 0.00 0.00 174.62 174.39 2kaw s VAL 5 N 1.48 4.42 0.03 3.82 -7.23 -0.57 -4.93 120.40 117.41 2kaw s VAL 5 Ca 0.03 -1.25 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 2kaw s VAL 5 Cb -0.22 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.38 2kaw s VAL 5 CO 0.04 -0.22 -0.25 0.28 -0.31 0.00 0.00 175.10 174.64 2kaw s THR 6 N -1.92 2.01 -0.07 5.32 -1.32 -1.26 0.02 115.64 118.43 2kaw s THR 6 Ca 0.32 -1.27 0.03 0.00 -1.21 0.00 0.00 61.69 59.55 2kaw s THR 6 Cb -0.09 -1.71 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 2kaw s THR 6 CO 0.24 0.39 -0.15 -0.76 -2.21 0.00 0.00 174.62 172.12 2kaw s LEU 7 N -1.06 2.67 -0.49 9.08 1.43 0.40 -4.98 118.68 125.73 2kaw s LEU 7 Ca 0.10 -0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 2kaw s LEU 7 Cb -0.10 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2kaw s LEU 7 CO 0.01 0.30 0.94 0.21 0.23 0.00 0.00 176.35 178.04 2kaw s ASN 8 N -0.48 6.45 -0.02 2.29 3.84 -1.26 -2.93 114.94 122.83 2kaw s ASN 8 Ca 0.06 -0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.19 2kaw s ASN 8 Cb -0.12 -2.45 0.25 0.00 -0.55 0.00 0.00 41.25 38.39 2kaw s ASN 8 CO 0.02 -1.12 1.15 0.23 -2.79 0.00 0.00 177.10 174.59 2kaw n MET 9 N 7.29 1.81 -0.07 0.43 2.81 -1.26 -3.21 117.12 124.92 2kaw n MET 9 Ca 0.05 -1.02 -0.09 0.00 -1.81 0.00 0.00 57.70 54.83 2kaw n MET 9 Cb 0.48 -1.34 -0.06 0.00 -0.71 0.00 0.00 33.22 31.60 2kaw n MET 9 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2kaw h GLU 10 N 1.57 0.00 0.00 0.03 4.39 -1.94 -3.39 114.58 115.24 2kaw h GLU 10 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2kaw h GLU 10 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2kaw h GLU 10 CO 0.04 0.44 -0.73 -0.09 -1.16 0.00 0.00 179.01 177.51 2kaw h ARG 11 N -1.00 0.00 -6.26 2.33 2.43 -2.01 -3.45 114.38 106.42 2kaw h ARG 11 Ca -0.06 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.42 2kaw h ARG 11 Cb 0.61 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 29.95 2kaw h ARG 11 CO -0.04 0.24 -0.74 -1.01 -1.51 0.00 0.00 179.97 176.91 2kaw s HIS 12 N -3.09 2.79 -0.09 2.20 3.76 -1.20 -5.01 115.29 114.66 2kaw s HIS 12 Ca 0.02 -0.09 0.20 0.00 -0.15 0.00 0.00 55.06 55.04 2kaw s HIS 12 Cb 0.08 -1.66 -0.30 0.00 1.11 0.00 0.00 32.58 31.81 2kaw s HIS 12 CO 0.76 0.24 0.32 0.72 -0.85 0.00 0.00 174.74 175.93 2kaw n HIS 13 N 2.27 0.00 -4.21 1.40 8.25 -1.26 -4.37 115.22 117.29 2kaw n HIS 13 Ca -0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 2kaw n HIS 13 Cb 0.52 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.86 2kaw n HIS 13 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2kaw s PHE 14 N -3.10 1.29 0.04 4.41 -0.71 -1.26 -5.01 117.98 113.64 2kaw s PHE 14 Ca -0.08 -0.56 -0.08 0.00 -1.04 0.00 0.00 56.93 55.16 2kaw s PHE 14 Cb 0.11 -0.69 -0.31 0.00 -1.21 0.00 0.00 43.02 40.92 2kaw s PHE 14 CO 0.85 0.10 1.03 -0.07 -1.34 0.00 0.00 175.22 175.78 2kaw h LEU 15 N 3.66 0.57 -2.02 -1.99 3.38 -1.93 -0.65 115.31 116.32 2kaw h LEU 15 Ca -0.39 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 56.89 2kaw h LEU 15 Cb 1.19 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.78 2kaw h LEU 15 CO 0.49 1.51 -0.10 0.61 0.09 0.00 0.00 178.44 181.04 2kaw n GLY 16 N 1.63 0.36 2.89 0.83 0.00 -1.26 -1.17 105.19 108.47 2kaw n GLY 16 Ca -0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 2kaw n GLY 16 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kaw s ILE 17 N -3.05 -0.59 -0.14 -0.61 -4.36 -1.26 -0.09 121.20 111.10 2kaw s ILE 17 Ca 0.00 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 2kaw s ILE 17 Cb -0.00 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 2kaw s ILE 17 CO 0.10 -0.26 1.24 -0.94 0.24 0.00 0.00 174.94 175.31 2kaw s SER 18 N 2.52 6.98 0.05 4.36 1.04 -0.67 -4.89 113.70 123.09 2kaw s SER 18 Ca 0.10 1.71 -0.30 0.00 0.48 0.00 0.00 55.95 57.94 2kaw s SER 18 Cb -0.13 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 2kaw s SER 18 CO -0.26 -0.72 1.04 -0.63 0.98 0.00 0.00 173.24 173.65 2kaw s ILE 19 N 3.18 4.50 -0.19 -1.02 -1.09 -1.26 -0.06 121.20 125.25 2kaw s ILE 19 Ca 0.55 1.87 -0.02 0.00 -2.23 0.00 0.00 60.65 60.82 2kaw s ILE 19 Cb -0.22 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.45 2kaw s ILE 19 CO 0.16 0.19 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.29 2kaw s VAL 20 N 0.72 3.13 -0.25 2.92 1.01 0.74 -4.84 120.40 123.83 2kaw s VAL 20 Ca 0.52 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 2kaw s VAL 20 Cb -0.24 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2kaw s VAL 20 CO 0.29 0.46 0.67 -0.83 0.00 0.00 0.00 175.10 175.70 2kaw s GLY 21 N 1.18 1.81 -0.37 4.51 0.00 -1.26 -0.28 107.32 112.92 2kaw s GLY 21 Ca 0.02 -0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 2kaw s GLY 21 CO -0.03 1.51 0.97 1.62 0.00 0.00 0.00 173.10 177.17 2kaw s GLN 22 N 2.54 3.87 0.42 2.90 0.74 0.45 -4.99 119.66 125.60 2kaw s GLN 22 Ca 0.28 0.66 0.08 0.00 0.05 0.00 0.00 55.36 56.42 2kaw s GLN 22 Cb -0.15 -3.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.13 2kaw s GLN 22 CO 0.08 -0.97 0.36 -1.12 -0.55 0.00 0.00 175.29 173.09 2kaw s SER 23 N 1.89 4.96 0.00 6.67 0.01 -1.26 -2.64 113.70 123.33 2kaw s SER 23 Ca 0.40 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2kaw s SER 23 Cb -0.12 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2kaw s SER 23 CO 0.19 -0.66 0.00 -3.20 0.41 0.00 0.00 173.24 169.98 2kaw n ASN 24 N -1.52 0.00 -0.01 2.44 2.85 -1.26 -4.89 115.26 112.86 2kaw n ASN 24 Ca 0.03 -0.13 -0.04 0.00 -0.11 0.00 0.00 54.58 54.32 2kaw n ASN 24 Cb 0.62 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.82 2kaw n ASN 24 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2kaw h ASP 25 N 0.00 0.56 0.00 1.20 3.32 -2.04 -3.29 116.42 116.18 2kaw h ASP 25 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2kaw h ASP 25 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2kaw h ASP 25 CO 0.00 0.79 -0.14 0.03 -1.72 0.00 0.00 179.24 178.21 2kaw h ARG 26 N 0.49 0.00 0.00 3.56 2.47 -2.01 -3.49 114.38 115.41 2kaw h ARG 26 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2kaw h ARG 26 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2kaw h ARG 26 CO 0.05 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.99 2kaw n GLY 27 N 1.74 1.91 1.88 0.04 0.00 -1.24 -4.98 105.19 104.54 2kaw n GLY 27 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2kaw n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kaw n ASP 28 N 0.00 5.19 0.00 1.61 5.75 -1.26 -4.39 116.55 123.45 2kaw n ASP 28 Ca 0.00 -2.45 -0.14 0.00 -0.01 0.00 0.00 54.79 52.19 2kaw n ASP 28 Cb 0.00 -1.32 -0.03 0.00 -1.03 0.00 0.00 41.12 38.73 2kaw n ASP 28 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2kaw h GLY 29 N 4.49 0.73 0.00 6.12 0.00 -1.85 -3.50 103.07 109.05 2kaw h GLY 29 Ca 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2kaw h GLY 29 CO 0.17 0.90 0.00 0.61 0.00 0.00 0.00 176.54 178.23 2kaw n GLY 30 N 0.63 1.64 3.71 4.60 0.00 -1.22 -4.77 105.19 109.78 2kaw n GLY 30 Ca -0.06 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 2kaw n GLY 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kaw s ILE 31 N -2.18 5.27 0.25 -0.61 -4.36 -1.26 -0.41 121.20 117.90 2kaw s ILE 31 Ca 0.00 0.14 0.12 0.00 -0.26 0.00 0.00 60.65 60.65 2kaw s ILE 31 Cb 0.00 -3.40 -0.05 0.00 1.25 0.00 0.00 42.46 40.26 2kaw s ILE 31 CO 0.00 0.45 -0.21 -0.31 0.24 0.00 0.00 174.94 175.10 2kaw s TYR 32 N 0.34 2.28 -0.39 1.37 1.51 0.62 -1.59 117.35 121.49 2kaw s TYR 32 Ca 0.07 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2kaw s TYR 32 Cb -0.11 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2kaw s TYR 32 CO -0.01 0.63 1.31 0.42 -1.11 0.00 0.00 175.55 176.79 2kaw s ILE 33 N -2.19 4.05 -0.02 2.71 -1.09 0.49 -0.19 121.20 124.97 2kaw s ILE 33 Ca 0.26 1.12 -0.05 0.00 -2.23 0.00 0.00 60.65 59.75 2kaw s ILE 33 Cb -0.06 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 2kaw s ILE 33 CO 0.13 -0.71 0.41 1.23 -1.23 0.00 0.00 174.94 174.77 2kaw h GLY 34 N 11.54 -0.18 -4.25 6.18 0.00 -0.80 0.14 103.07 115.70 2kaw h GLY 34 Ca -0.26 0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2kaw h GLY 34 CO 1.08 -0.07 -0.42 -0.56 0.00 0.00 0.00 176.54 176.57 2kaw s SER 35 N -3.54 0.02 -0.12 0.19 0.01 -1.23 -4.59 113.70 104.43 2kaw s SER 35 Ca -0.03 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 56.90 2kaw s SER 35 Cb 0.00 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 2kaw s SER 35 CO 0.08 -0.49 0.06 -0.63 0.41 0.00 0.00 173.24 172.67 2kaw s ILE 36 N -2.09 4.80 -0.23 1.44 1.01 -1.26 -1.67 121.20 123.20 2kaw s ILE 36 Ca -0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 2kaw s ILE 36 Cb -0.03 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 2kaw s ILE 36 CO -0.01 0.57 0.13 -0.04 0.00 0.00 0.00 174.94 175.59 2kaw s MET 37 N -0.61 4.01 0.07 2.79 -1.94 0.87 -4.96 119.30 119.53 2kaw s MET 37 Ca 0.11 -0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 53.48 2kaw s MET 37 Cb -0.12 -3.46 -0.09 0.00 2.01 0.00 0.00 34.83 33.17 2kaw s MET 37 CO 0.02 0.07 1.84 0.21 -0.01 0.00 0.00 175.02 177.16 2kaw s LYS 38 N 1.00 4.15 0.00 2.03 2.47 -1.26 -1.86 119.74 126.27 2kaw s LYS 38 Ca 0.07 2.53 0.00 0.00 -1.56 0.00 0.00 55.97 57.01 2kaw s LYS 38 Cb -0.13 -3.84 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 2kaw s LYS 38 CO 0.04 -0.87 0.00 0.41 0.16 0.00 0.00 175.35 175.09 2kaw n GLY 39 N 4.31 1.85 3.84 5.54 0.00 -1.26 -5.10 105.19 114.37 2kaw n GLY 39 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2kaw n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kaw s GLY 40 N -2.15 1.61 0.41 -0.02 0.00 -0.77 -4.93 107.32 101.46 2kaw s GLY 40 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 44.72 44.39 2kaw s GLY 40 CO 0.00 0.05 2.03 0.00 0.00 0.00 0.00 173.10 175.18 2kaw h ALA 41 N -1.08 1.67 -0.05 3.20 0.00 -0.36 -2.03 119.26 120.61 2kaw h ALA 41 Ca -0.47 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 2kaw h ALA 41 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kaw h ALA 41 CO 0.62 0.28 -0.78 0.28 0.00 0.00 0.00 179.25 179.65 2kaw h VAL 42 N 0.47 1.40 0.00 0.00 2.07 -1.42 -2.95 116.25 115.83 2kaw h VAL 42 Ca 0.12 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.39 2kaw h VAL 42 Cb 0.04 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2kaw h VAL 42 CO -0.02 0.67 0.00 0.00 0.02 0.00 0.00 177.57 178.24 2kaw h ALA 43 N 0.91 1.00 0.00 1.67 0.00 -1.53 -1.66 119.26 119.66 2kaw h ALA 43 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kaw h ALA 43 Cb 1.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2kaw h ALA 43 CO 0.13 0.00 -0.78 0.00 0.00 0.00 0.00 179.25 178.60 2kaw h ALA 44 N 2.18 0.67 -1.96 0.00 0.00 -1.31 -3.41 119.26 115.44 2kaw h ALA 44 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kaw h ALA 44 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kaw h ALA 44 CO 0.00 0.28 0.00 -3.47 0.00 0.00 0.00 179.25 176.06 2kaw n ASP 45 N -2.90 0.00 0.00 0.00 -0.08 -0.64 -5.03 116.55 107.91 2kaw n ASP 45 Ca -0.01 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2kaw n ASP 45 Cb 0.63 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2kaw n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kaw n GLY 46 N 2.29 2.08 0.20 0.27 0.00 -1.12 -4.95 105.19 103.96 2kaw n GLY 46 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kaw n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kaw h ARG 47 N 0.56 0.29 -6.25 1.61 3.08 -1.96 -3.42 114.38 108.29 2kaw h ARG 47 Ca 0.00 -0.14 -0.55 0.00 0.07 0.00 0.00 59.98 59.36 2kaw h ARG 47 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2kaw h ARG 47 CO 0.00 0.66 0.14 0.42 -1.07 0.00 0.00 179.97 180.13 2kaw s ILE 48 N -4.14 4.79 0.11 2.04 1.01 -1.26 -5.06 121.20 118.69 2kaw s ILE 48 Ca -0.05 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.19 2kaw s ILE 48 Cb 0.13 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2kaw s ILE 48 CO 0.78 0.35 -0.02 -1.83 0.00 0.00 0.00 174.94 174.22 2kaw s GLU 49 N 0.06 0.87 -0.22 2.79 -1.05 -1.26 -4.98 118.70 114.90 2kaw s GLU 49 Ca 0.38 -1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 53.53 2kaw s GLU 49 Cb -0.20 -0.04 -0.07 0.00 -0.44 0.00 0.00 34.13 33.38 2kaw s GLU 49 CO 0.22 -0.11 2.19 -2.30 0.95 0.00 0.00 175.26 176.21 2kaw n PRO 50 N -0.06 1.84 0.00 -4.83 -0.02 -1.26 -1.71 135.00 128.95 2kaw n PRO 50 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2kaw n PRO 50 Cb 0.62 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 2kaw n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kaw n GLY 51 N 5.80 1.35 3.77 -1.23 0.00 0.49 -4.99 105.19 110.37 2kaw n GLY 51 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 2kaw n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kaw s ASP 52 N -1.25 6.30 -0.20 1.61 1.01 -0.70 -4.67 116.67 118.78 2kaw s ASP 52 Ca 0.00 2.37 -0.10 0.00 0.71 0.00 0.00 52.55 55.52 2kaw s ASP 52 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2kaw s ASP 52 CO 0.00 -0.83 0.15 -0.32 0.21 0.00 0.00 175.17 174.37 2kaw s MET 53 N -2.50 4.19 -0.21 8.23 -2.45 -1.02 -0.38 119.30 125.16 2kaw s MET 53 Ca 0.61 -0.19 -0.24 0.00 -1.25 0.00 0.00 55.69 54.62 2kaw s MET 53 Cb -0.31 -3.42 -0.01 0.00 1.25 0.00 0.00 34.83 32.35 2kaw s MET 53 CO 0.38 0.30 0.80 -0.51 1.05 0.00 0.00 175.02 177.04 2kaw s LEU 54 N 0.35 4.12 -0.11 4.11 1.43 -0.62 -0.45 118.68 127.51 2kaw s LEU 54 Ca 0.09 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 2kaw s LEU 54 Cb -0.11 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2kaw s LEU 54 CO -0.01 -0.44 -0.25 0.18 0.23 0.00 0.00 176.35 176.06 2kaw n LEU 55 N 5.59 1.62 -4.13 1.79 4.77 -0.14 -4.60 117.00 121.90 2kaw n LEU 55 Ca 0.04 0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 56.03 2kaw n LEU 55 Cb 0.48 -0.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.78 2kaw n LEU 55 CO 0.47 -0.39 -0.50 -1.58 -1.33 0.00 0.00 177.39 174.06 2kaw s GLN 56 N -2.58 1.77 -0.30 3.23 0.74 -1.21 -0.34 119.66 120.97 2kaw s GLN 56 Ca -0.21 -0.60 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 2kaw s GLN 56 Cb 0.03 -1.53 0.10 0.00 1.10 0.00 0.00 33.01 32.70 2kaw s GLN 56 CO 0.31 0.23 0.09 0.08 -0.55 0.00 0.00 175.29 175.45 2kaw s VAL 57 N 0.06 0.97 -0.89 1.34 1.01 -0.39 -0.67 120.40 121.83 2kaw s VAL 57 Ca -0.04 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 2kaw s VAL 57 Cb -0.12 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2kaw s VAL 57 CO 0.02 -0.62 0.78 0.59 0.00 0.00 0.00 175.10 175.87 2kaw n ASN 58 N 4.82 -6.23 0.00 3.32 4.13 -0.99 -3.41 115.26 116.89 2kaw n ASN 58 Ca -0.02 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2kaw n ASN 58 Cb 0.42 -4.67 0.00 0.00 -1.54 0.00 0.00 39.78 33.99 2kaw n ASN 58 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2kaw n ASP 59 N -2.85 0.00 -4.71 6.41 8.00 -1.26 -4.94 116.55 117.20 2kaw n ASP 59 Ca -0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 2kaw n ASP 59 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2kaw n ASP 59 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kaw s VAL 60 N 0.00 3.63 -0.19 2.53 -7.23 -1.22 -5.00 120.40 112.92 2kaw s VAL 60 Ca 0.00 1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 61.20 2kaw s VAL 60 Cb 0.00 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 2kaw s VAL 60 CO 0.00 0.09 0.26 0.21 -0.31 0.00 0.00 175.10 175.34 2kaw s ASN 61 N 1.13 6.33 0.00 4.85 2.47 -1.26 -1.27 114.94 127.19 2kaw s ASN 61 Ca 0.62 0.38 0.23 0.00 0.42 0.00 0.00 52.86 54.51 2kaw s ASN 61 Cb -0.33 -2.16 0.10 0.00 -1.45 0.00 0.00 41.25 37.41 2kaw s ASN 61 CO 0.30 0.07 1.16 0.49 -3.72 0.00 0.00 177.10 175.39 2kaw n PHE 62 N 3.91 0.00 0.30 0.43 3.72 0.54 -4.25 117.46 122.11 2kaw n PHE 62 Ca -0.12 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.45 2kaw n PHE 62 Cb 0.52 -0.02 0.95 0.00 -0.94 0.00 0.00 39.48 39.98 2kaw n PHE 62 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2kaw h GLU 63 N 2.00 0.00 -0.45 -1.08 5.08 -1.85 -1.66 114.58 116.62 2kaw h GLU 63 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2kaw h GLU 63 Cb 0.69 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.79 2kaw h GLU 63 CO 0.00 0.03 -0.03 -1.71 -1.00 0.00 0.00 179.01 176.31 2kaw n ASN 64 N -3.43 2.88 -4.28 1.42 2.85 -1.26 -5.00 115.26 108.44 2kaw n ASN 64 Ca -0.02 -3.78 -0.16 0.00 -0.11 0.00 0.00 54.58 50.50 2kaw n ASN 64 Cb 0.15 -0.65 -0.10 0.00 1.24 0.00 0.00 39.78 40.41 2kaw n ASN 64 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kaw s MET 65 N -3.30 1.42 0.65 1.20 -1.94 -0.63 -5.15 119.30 111.55 2kaw s MET 65 Ca 0.47 -1.77 -0.09 0.00 -1.71 0.00 0.00 55.69 52.59 2kaw s MET 65 Cb 0.42 -0.22 0.01 0.00 2.01 0.00 0.00 34.83 37.04 2kaw s MET 65 CO 0.01 -0.31 1.01 -1.54 -0.01 0.00 0.00 175.02 174.17 2kaw s SER 66 N -3.31 5.57 0.43 3.03 1.04 -1.26 -4.87 113.70 114.33 2kaw s SER 66 Ca 0.38 0.98 0.11 0.00 0.48 0.00 0.00 55.95 57.90 2kaw s SER 66 Cb 0.08 -1.88 0.95 0.00 0.10 0.00 0.00 66.02 65.26 2kaw s SER 66 CO 0.14 -1.19 2.02 0.78 0.98 0.00 0.00 173.24 175.98 2kaw h ASN 67 N -0.43 0.23 0.09 7.02 2.35 -1.92 0.07 115.58 122.99 2kaw h ASN 67 Ca -0.45 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2kaw h ASN 67 Cb 1.25 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2kaw h ASN 67 CO 0.62 0.26 -0.04 0.44 -1.65 0.00 0.00 177.43 177.06 2kaw h ASP 68 N 0.25 -0.10 -0.95 5.81 3.32 -1.97 -3.16 116.42 119.62 2kaw h ASP 68 Ca 0.06 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.66 2kaw h ASP 68 Cb 0.14 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 2kaw h ASP 68 CO 0.00 0.52 0.62 0.44 -1.72 0.00 0.00 179.24 179.11 2kaw h ASP 69 N -0.83 1.04 -0.40 6.45 3.32 -1.88 -0.85 116.42 123.27 2kaw h ASP 69 Ca -0.01 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2kaw h ASP 69 Cb 0.59 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 2kaw h ASP 69 CO 0.02 0.72 0.14 0.00 -1.72 0.00 0.00 179.24 178.40 2kaw h ALA 70 N 1.44 0.48 -0.37 3.45 0.00 -1.07 -1.36 119.26 121.83 2kaw h ALA 70 Ca 0.37 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 2kaw h ALA 70 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kaw h ALA 70 CO -0.11 -0.25 -0.39 0.28 0.00 0.00 0.00 179.25 178.78 2kaw h VAL 71 N 0.31 1.27 -0.20 0.00 2.07 -1.38 -1.43 116.25 116.89 2kaw h VAL 71 Ca 0.19 -1.57 0.04 0.00 0.82 0.00 0.00 66.70 66.18 2kaw h VAL 71 Cb 0.17 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2kaw h VAL 71 CO -0.19 0.52 -0.08 0.03 0.02 0.00 0.00 177.57 177.88 2kaw h ARG 72 N 0.73 -0.04 -0.33 1.57 3.08 -0.69 0.15 114.38 118.86 2kaw h ARG 72 Ca 0.06 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2kaw h ARG 72 Cb 0.98 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 2kaw h ARG 72 CO 0.09 -0.03 -0.45 0.28 -1.07 0.00 0.00 179.97 178.80 2kaw h VAL 73 N -0.04 1.28 -0.78 2.04 2.07 -1.26 -3.10 116.25 116.46 2kaw h VAL 73 Ca 0.11 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 66.06 2kaw h VAL 73 Cb 0.20 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2kaw h VAL 73 CO -0.23 0.54 0.46 0.25 0.02 0.00 0.00 177.57 178.60 2kaw h LEU 74 N 0.68 0.69 -1.44 2.57 5.85 -0.73 -1.35 115.31 121.58 2kaw h LEU 74 Ca 0.04 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2kaw h LEU 74 Cb 1.03 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2kaw h LEU 74 CO 0.10 0.43 0.46 0.03 -0.34 0.00 0.00 178.44 179.12 2kaw h ARG 75 N 0.82 0.65 -0.26 1.25 3.08 -0.90 0.20 114.38 119.21 2kaw h ARG 75 Ca 0.35 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.23 2kaw h ARG 75 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2kaw h ARG 75 CO -0.20 0.43 -0.38 0.93 -1.07 0.00 0.00 179.97 179.68 2kaw h GLU 76 N 0.67 0.60 0.15 0.04 4.39 -1.26 -1.39 114.58 117.78 2kaw h GLU 76 Ca 0.30 -0.30 -0.31 0.00 0.34 0.00 0.00 59.36 59.40 2kaw h GLU 76 Cb 0.33 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2kaw h GLU 76 CO -0.10 0.89 -1.30 0.82 -1.16 0.00 0.00 179.01 178.16 2kaw h ILE 77 N 0.50 1.29 -0.57 3.13 2.04 -1.02 -3.13 117.51 119.75 2kaw h ILE 77 Ca 0.05 -2.54 -0.05 0.00 1.00 0.00 0.00 64.86 63.32 2kaw h ILE 77 Cb 0.89 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 2kaw h ILE 77 CO 0.08 0.77 0.15 0.58 0.00 0.00 0.00 178.15 179.73 2kaw h VAL 78 N 0.24 1.23 -0.46 1.67 2.07 -0.61 -1.92 116.25 118.48 2kaw h VAL 78 Ca -0.20 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 2kaw h VAL 78 Cb 1.98 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 2kaw h VAL 78 CO 0.25 0.31 0.13 -1.20 0.02 0.00 0.00 177.57 177.07 2kaw n SER 79 N -4.27 3.91 -4.45 0.57 7.64 -0.53 -4.88 113.62 111.60 2kaw n SER 79 Ca 0.04 -2.74 -0.29 0.00 1.01 0.00 0.00 58.87 56.89 2kaw n SER 79 Cb 0.22 -0.65 -0.12 0.00 -1.01 0.00 0.00 64.21 62.65 2kaw n SER 79 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2kaw s GLN 80 N -2.14 1.71 -0.19 1.43 2.00 -0.72 -5.01 119.66 116.73 2kaw s GLN 80 Ca 0.36 -1.20 -0.29 0.00 -2.00 0.00 0.00 55.36 52.23 2kaw s GLN 80 Cb 0.28 -2.06 0.00 0.00 0.80 0.00 0.00 33.01 32.03 2kaw s GLN 80 CO 0.09 0.48 1.07 0.99 -0.50 0.00 0.00 175.29 177.42 2kaw s THR 81 N -1.08 4.63 0.00 -0.34 2.01 -1.26 -4.92 115.64 114.68 2kaw s THR 81 Ca 0.16 1.95 0.00 0.00 0.31 0.00 0.00 61.69 64.11 2kaw s THR 81 Cb -0.10 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.15 2kaw s THR 81 CO 0.08 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 2kaw n GLY 82 N 3.32 4.23 3.77 4.40 0.00 -1.26 -5.12 105.19 114.53 2kaw n GLY 82 Ca 0.12 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2kaw n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kaw s PRO 83 N -3.10 4.08 -0.19 1.61 0.04 -1.26 -4.66 135.00 131.53 2kaw s PRO 83 Ca 0.00 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 2kaw s PRO 83 Cb 0.00 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2kaw s PRO 83 CO 0.00 -0.49 -0.13 0.42 0.04 0.00 0.00 177.00 176.84 2kaw s ILE 84 N -1.16 2.71 -0.19 0.56 1.01 -1.15 -4.96 121.20 118.02 2kaw s ILE 84 Ca 0.54 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 2kaw s ILE 84 Cb -0.43 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 2kaw s ILE 84 CO 0.58 0.49 0.11 -0.44 0.00 0.00 0.00 174.94 175.68 2kaw s SER 85 N 1.20 6.08 -0.23 3.58 0.01 -1.26 -0.45 113.70 122.63 2kaw s SER 85 Ca 0.02 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.47 2kaw s SER 85 Cb -0.14 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2kaw s SER 85 CO -0.06 0.20 -0.06 -0.76 0.41 0.00 0.00 173.24 172.97 2kaw s LEU 86 N 0.23 2.91 -0.63 2.44 1.43 0.10 -2.33 118.68 122.83 2kaw s LEU 86 Ca 0.07 -0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 2kaw s LEU 86 Cb -0.11 -1.69 0.13 0.00 0.03 0.00 0.00 46.19 44.55 2kaw s LEU 86 CO -0.01 -0.06 0.67 -0.89 0.23 0.00 0.00 176.35 176.30 2kaw s THR 87 N 1.41 5.06 -0.03 5.49 2.01 0.16 -1.52 115.64 128.22 2kaw s THR 87 Ca 0.04 -1.42 -0.02 0.00 0.31 0.00 0.00 61.69 60.61 2kaw s THR 87 Cb -0.15 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2kaw s THR 87 CO -0.05 -1.05 0.10 0.68 -0.69 0.00 0.00 174.62 173.61 2kaw s VAL 88 N 1.96 4.91 -0.23 3.82 -7.23 -0.56 -0.97 120.40 122.10 2kaw s VAL 88 Ca 0.11 -0.27 -0.07 0.00 -1.81 0.00 0.00 61.98 59.94 2kaw s VAL 88 Cb -0.23 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 2kaw s VAL 88 CO 0.02 0.41 0.06 0.00 -0.31 0.00 0.00 175.10 175.27 2kaw s ALA 89 N -1.16 3.16 -1.12 1.32 0.00 0.40 -0.78 121.76 123.58 2kaw s ALA 89 Ca 0.22 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.20 2kaw s ALA 89 Cb -0.12 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.06 2kaw s ALA 89 CO 0.12 -0.36 0.78 1.63 0.00 0.00 0.00 175.76 177.94