#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 5.16 0.00 -1.44 1.01 -1.26 0.03 121.20 124.70 2kaw s ILE 2 Ca 0.00 0.75 0.06 0.00 0.00 0.00 0.00 60.65 61.46 2kaw s ILE 2 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2kaw s ILE 2 CO 0.00 0.20 -0.18 -0.63 0.00 0.00 0.00 174.94 174.32 2kaw s ILE 3 N 1.65 1.45 -0.26 2.92 1.01 0.21 -4.99 121.20 123.18 2kaw s ILE 3 Ca 0.19 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2kaw s ILE 3 Cb -0.15 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.14 2kaw s ILE 3 CO 0.09 0.34 -0.08 -0.89 0.00 0.00 0.00 174.94 174.39 2kaw s THR 4 N -0.53 2.45 0.07 2.92 2.01 -1.26 -0.45 115.64 120.84 2kaw s THR 4 Ca 0.07 -1.47 0.09 0.00 0.31 0.00 0.00 61.69 60.69 2kaw s THR 4 Cb -0.07 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2kaw s THR 4 CO -0.00 0.01 -0.22 0.68 -0.69 0.00 0.00 174.62 174.40 2kaw s VAL 5 N 1.18 2.55 -0.14 3.82 -7.23 -0.64 -4.95 120.40 114.98 2kaw s VAL 5 Ca -0.06 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2kaw s VAL 5 Cb -0.19 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2kaw s VAL 5 CO -0.04 0.27 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.03 2kaw s THR 6 N -0.95 3.39 -0.02 5.32 2.01 -1.26 0.15 115.64 124.28 2kaw s THR 6 Ca 0.14 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 2kaw s THR 6 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2kaw s THR 6 CO 0.05 0.51 0.05 -0.76 -0.69 0.00 0.00 174.62 173.78 2kaw s LEU 7 N 0.40 3.76 -0.31 4.42 1.43 0.25 -4.97 118.68 123.66 2kaw s LEU 7 Ca -0.08 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 2kaw s LEU 7 Cb -0.15 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 2kaw s LEU 7 CO 0.04 0.29 0.74 0.21 0.23 0.00 0.00 176.35 177.86 2kaw s ASN 8 N -1.57 6.60 -0.03 2.29 3.84 -1.26 -2.67 114.94 122.14 2kaw s ASN 8 Ca 0.20 0.55 0.18 0.00 0.21 0.00 0.00 52.86 54.01 2kaw s ASN 8 Cb -0.12 -2.38 0.59 0.00 -0.55 0.00 0.00 41.25 38.79 2kaw s ASN 8 CO 0.11 -0.59 1.49 0.23 -2.79 0.00 0.00 177.10 175.55 2kaw n MET 9 N 6.14 2.79 -0.02 0.43 2.81 -1.26 -3.52 117.12 124.50 2kaw n MET 9 Ca 0.02 -2.37 -0.19 0.00 -1.81 0.00 0.00 57.70 53.35 2kaw n MET 9 Cb 0.48 -1.61 -0.14 0.00 -0.71 0.00 0.00 33.22 31.25 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 3.69 0.16 0.00 0.03 4.39 -1.92 -3.36 114.58 117.58 2kaw h GLU 10 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2kaw h GLU 10 Cb 1.01 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kaw h GLU 10 CO 0.07 1.13 -0.82 -2.13 -1.16 0.00 0.00 179.01 176.10 2kaw n ARG 11 N -4.24 0.14 -4.19 2.33 0.63 -1.26 -4.91 116.66 105.17 2kaw n ARG 11 Ca -0.19 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.47 2kaw n ARG 11 Cb 0.73 -1.55 -0.08 0.00 0.45 0.00 0.00 32.46 32.01 2kaw n ARG 11 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kaw s HIS 12 N -3.10 2.85 -0.13 -0.14 3.76 -1.23 -5.03 115.29 112.28 2kaw s HIS 12 Ca 0.07 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 2kaw s HIS 12 Cb 0.16 -1.43 -0.11 0.00 1.11 0.00 0.00 32.58 32.31 2kaw s HIS 12 CO 0.77 0.48 -0.06 0.72 -0.85 0.00 0.00 174.74 175.81 2kaw n HIS 13 N 0.27 0.00 -4.33 1.40 8.25 -1.26 -4.63 115.22 114.92 2kaw n HIS 13 Ca -0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.18 2kaw n HIS 13 Cb 0.54 -0.54 -0.10 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.28 1.59 0.00 4.41 -0.71 -1.26 -5.05 117.98 114.68 2kaw s PHE 14 Ca -0.14 -0.80 0.05 0.00 -1.04 0.00 0.00 56.93 55.01 2kaw s PHE 14 Cb 0.04 -0.87 -0.24 0.00 -1.21 0.00 0.00 43.02 40.74 2kaw s PHE 14 CO 0.37 0.10 0.84 -0.07 -1.34 0.00 0.00 175.22 175.13 2kaw h LEU 15 N 2.52 0.14 -2.12 -1.99 3.38 -1.93 0.19 115.31 115.50 2kaw h LEU 15 Ca -0.38 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.22 2kaw h LEU 15 Cb 1.22 -0.05 0.08 0.00 0.09 0.00 0.00 40.66 42.01 2kaw h LEU 15 CO 0.64 1.19 -0.38 0.61 0.09 0.00 0.00 178.44 180.60 2kaw n GLY 16 N 1.57 0.02 2.87 0.83 0.00 -1.26 -1.26 105.19 107.97 2kaw n GLY 16 Ca -0.14 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.17 -0.56 -0.12 -0.61 -4.36 -1.26 -0.36 121.20 110.76 2kaw s ILE 17 Ca 0.07 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 59.91 2kaw s ILE 17 Cb -0.01 -0.92 -0.03 0.00 1.25 0.00 0.00 42.46 42.75 2kaw s ILE 17 CO 0.35 -0.27 1.40 -0.94 0.24 0.00 0.00 174.94 175.72 2kaw s SER 18 N 2.49 6.85 -0.00 4.36 1.04 -0.13 -4.90 113.70 123.42 2kaw s SER 18 Ca 0.10 1.90 -0.29 0.00 0.48 0.00 0.00 55.95 58.15 2kaw s SER 18 Cb -0.14 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.41 2kaw s SER 18 CO -0.25 -0.81 0.92 -0.63 0.98 0.00 0.00 173.24 173.45 2kaw s ILE 19 N 3.59 4.87 -0.23 -1.02 -1.09 -1.26 0.11 121.20 126.16 2kaw s ILE 19 Ca 0.62 1.94 0.02 0.00 -2.23 0.00 0.00 60.65 60.99 2kaw s ILE 19 Cb -0.26 -4.26 0.05 0.00 -1.58 0.00 0.00 42.46 36.41 2kaw s ILE 19 CO 0.21 0.19 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.32 2kaw s VAL 20 N 0.86 1.88 -0.13 2.92 1.01 0.71 -4.86 120.40 122.80 2kaw s VAL 20 Ca 0.49 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2kaw s VAL 20 Cb -0.21 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2kaw s VAL 20 CO 0.26 0.04 0.92 -0.83 0.00 0.00 0.00 175.10 175.49 2kaw s GLY 21 N 1.26 2.28 -0.13 4.51 0.00 -1.26 -0.15 107.32 113.82 2kaw s GLY 21 Ca -0.05 0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.60 2kaw s GLY 21 CO -0.07 1.77 1.10 1.62 0.00 0.00 0.00 173.10 177.53 2kaw s GLN 22 N 1.97 4.33 0.28 2.90 0.74 0.58 -4.97 119.66 125.49 2kaw s GLN 22 Ca 0.44 1.50 0.11 0.00 0.05 0.00 0.00 55.36 57.46 2kaw s GLN 22 Cb -0.18 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.28 2kaw s GLN 22 CO 0.16 -0.49 -0.12 -1.12 -0.55 0.00 0.00 175.29 173.17 2kaw s SER 23 N 1.36 3.98 0.00 6.67 0.01 -1.26 -3.24 113.70 121.22 2kaw s SER 23 Ca 0.50 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2kaw s SER 23 Cb -0.20 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2kaw s SER 23 CO 0.15 0.02 0.00 -3.20 0.41 0.00 0.00 173.24 170.63 2kaw n ASN 24 N -0.73 0.00 -0.25 2.44 2.85 -1.26 -4.96 115.26 113.34 2kaw n ASN 24 Ca -0.06 -0.06 -0.05 0.00 -0.11 0.00 0.00 54.58 54.30 2kaw n ASN 24 Cb 0.60 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.67 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 0.82 0.00 1.20 3.32 -2.04 -3.32 116.42 116.41 2kaw h ASP 25 Ca 0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kaw h ASP 25 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2kaw h ASP 25 CO 0.00 0.63 -0.00 0.03 -1.72 0.00 0.00 179.24 178.17 2kaw h ARG 26 N 0.95 -0.00 0.00 3.56 2.47 -2.01 -3.49 114.38 115.85 2kaw h ARG 26 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2kaw h ARG 26 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2kaw h ARG 26 CO -0.05 -0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.89 2kaw n GLY 27 N 1.93 1.18 2.18 0.04 0.00 -1.25 -5.01 105.19 104.26 2kaw n GLY 27 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 6.68 0.08 1.61 5.75 -1.26 -4.41 116.55 125.01 2kaw n ASP 28 Ca 0.00 -2.49 -0.15 0.00 -0.01 0.00 0.00 54.79 52.14 2kaw n ASP 28 Cb 0.00 -1.43 -0.14 0.00 -1.03 0.00 0.00 41.12 38.52 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 6.08 0.27 0.00 6.12 0.00 -1.92 -3.51 103.07 110.11 2kaw h GLY 29 Ca 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2kaw h GLY 29 CO 0.99 0.61 0.00 0.61 0.00 0.00 0.00 176.54 178.75 2kaw n GLY 30 N 1.56 0.94 3.76 4.60 0.00 -1.25 -4.70 105.19 110.11 2kaw n GLY 30 Ca -0.11 -1.79 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.95 5.19 0.25 -0.61 -4.36 -1.26 -0.31 121.20 117.15 2kaw s ILE 31 Ca 0.00 0.78 0.12 0.00 -0.26 0.00 0.00 60.65 61.29 2kaw s ILE 31 Cb 0.00 -3.72 -0.05 0.00 1.25 0.00 0.00 42.46 39.94 2kaw s ILE 31 CO 0.00 0.42 -0.21 -0.31 0.24 0.00 0.00 174.94 175.08 2kaw s TYR 32 N 0.07 2.28 -0.31 1.37 1.51 0.79 -1.58 117.35 121.48 2kaw s TYR 32 Ca 0.22 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.65 2kaw s TYR 32 Cb -0.15 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2kaw s TYR 32 CO 0.09 0.63 1.11 0.42 -1.11 0.00 0.00 175.55 176.69 2kaw s ILE 33 N -2.22 4.45 -0.02 2.71 -1.09 0.75 -0.20 121.20 125.57 2kaw s ILE 33 Ca 0.26 1.67 -0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2kaw s ILE 33 Cb -0.06 -4.37 -0.00 0.00 -1.58 0.00 0.00 42.46 36.45 2kaw s ILE 33 CO 0.13 -0.47 -0.00 1.23 -1.23 0.00 0.00 174.94 174.59 2kaw h GLY 34 N 10.19 0.00 -5.06 6.18 0.00 -0.66 -0.17 103.07 113.54 2kaw h GLY 34 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 2kaw h GLY 34 CO 1.03 0.00 -0.61 -1.35 0.00 0.00 0.00 176.54 175.61 2kaw s SER 35 N -3.61 0.08 -0.14 0.19 1.04 -1.24 -4.60 113.70 105.41 2kaw s SER 35 Ca -0.00 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.14 2kaw s SER 35 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 2kaw s SER 35 CO 0.00 -0.24 0.13 -0.63 0.98 0.00 0.00 173.24 173.48 2kaw s ILE 36 N -1.00 5.42 -0.15 -1.02 1.01 -1.26 -0.95 121.20 123.25 2kaw s ILE 36 Ca -0.11 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 2kaw s ILE 36 Cb -0.06 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2kaw s ILE 36 CO 0.00 0.57 0.05 -0.04 0.00 0.00 0.00 174.94 175.52 2kaw s MET 37 N -0.63 3.66 0.31 2.79 -1.94 0.51 -4.96 119.30 119.04 2kaw s MET 37 Ca 0.13 -0.35 -0.29 0.00 -1.71 0.00 0.00 55.69 53.47 2kaw s MET 37 Cb -0.12 -3.09 -0.11 0.00 2.01 0.00 0.00 34.83 33.52 2kaw s MET 37 CO 0.02 0.43 1.52 0.21 -0.01 0.00 0.00 175.02 177.19 2kaw s LYS 38 N -0.10 4.16 0.00 2.03 2.47 -1.26 -2.36 119.74 124.68 2kaw s LYS 38 Ca 0.06 2.50 0.00 0.00 -1.56 0.00 0.00 55.97 56.97 2kaw s LYS 38 Cb -0.12 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2kaw s LYS 38 CO 0.01 -0.53 0.00 0.41 0.16 0.00 0.00 175.35 175.40 2kaw n GLY 39 N 1.63 1.08 3.88 5.54 0.00 -1.26 -5.05 105.19 111.01 2kaw n GLY 39 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.31 1.64 0.30 -0.02 0.00 -1.00 -4.83 107.32 101.11 2kaw s GLY 40 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2kaw s GLY 40 CO 0.00 0.07 1.95 0.00 0.00 0.00 0.00 173.10 175.12 2kaw h ALA 41 N -0.53 1.40 -0.05 3.20 0.00 -0.37 -2.10 119.26 120.81 2kaw h ALA 41 Ca -0.45 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 2kaw h ALA 41 Cb 1.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kaw h ALA 41 CO 0.63 0.52 -0.66 0.28 0.00 0.00 0.00 179.25 180.03 2kaw h VAL 42 N 1.01 1.41 0.00 0.00 2.07 -1.45 -2.85 116.25 116.45 2kaw h VAL 42 Ca 0.27 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 2kaw h VAL 42 Cb -0.04 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kaw h VAL 42 CO -0.05 0.62 -0.19 0.00 0.02 0.00 0.00 177.57 177.97 2kaw h ALA 43 N 1.16 1.27 -0.08 1.67 0.00 -1.54 -1.55 119.26 120.19 2kaw h ALA 43 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kaw h ALA 43 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kaw h ALA 43 CO 0.10 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2kaw n ALA 44 N -2.31 2.56 -1.09 0.00 0.00 -0.95 -4.40 120.51 114.31 2kaw n ALA 44 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2kaw n ALA 44 Cb 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2kaw n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kaw n ASP 45 N -0.26 0.00 0.00 0.00 2.03 -0.58 -5.06 116.55 112.68 2kaw n ASP 45 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2kaw n ASP 45 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2kaw n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kaw n GLY 46 N 2.60 1.14 0.16 0.27 0.00 -1.23 -4.96 105.19 103.16 2kaw n GLY 46 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.50 -6.54 1.61 3.08 -1.97 -3.44 114.38 107.62 2kaw h ARG 47 Ca 0.00 -0.64 -0.52 0.00 0.07 0.00 0.00 59.98 58.89 2kaw h ARG 47 Cb 0.00 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2kaw h ARG 47 CO 0.00 1.26 0.31 0.42 -1.07 0.00 0.00 179.97 180.89 2kaw s ILE 48 N -3.05 4.46 0.15 2.04 1.01 -1.26 -5.05 121.20 119.50 2kaw s ILE 48 Ca -0.07 1.96 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 2kaw s ILE 48 Cb 0.07 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2kaw s ILE 48 CO 0.90 0.37 0.20 -1.83 0.00 0.00 0.00 174.94 174.58 2kaw s GLU 49 N -0.31 1.06 0.06 2.79 -1.05 -1.26 -4.98 118.70 115.02 2kaw s GLU 49 Ca 0.43 -1.26 -0.33 0.00 -0.15 0.00 0.00 54.97 53.66 2kaw s GLU 49 Cb -0.23 0.33 -0.12 0.00 -0.44 0.00 0.00 34.13 33.66 2kaw s GLU 49 CO 0.29 -0.36 1.74 -2.30 0.95 0.00 0.00 175.26 175.58 2kaw n PRO 50 N -0.16 2.28 0.00 -4.83 -0.02 -1.26 -2.07 135.00 128.93 2kaw n PRO 50 Ca -0.07 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2kaw n PRO 50 Cb 0.63 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.94 1.93 3.76 -1.23 0.00 -0.08 -5.01 105.19 108.50 2kaw n GLY 51 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.90 7.02 -0.18 1.61 1.01 -0.88 -4.74 116.67 118.62 2kaw s ASP 52 Ca 0.00 2.41 -0.12 0.00 0.71 0.00 0.00 52.55 55.55 2kaw s ASP 52 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2kaw s ASP 52 CO 0.00 -0.33 0.22 -0.32 0.21 0.00 0.00 175.17 174.94 2kaw s MET 53 N -1.67 4.20 -0.17 8.23 -2.45 -0.33 -0.18 119.30 126.93 2kaw s MET 53 Ca 0.47 -0.05 -0.23 0.00 -1.25 0.00 0.00 55.69 54.64 2kaw s MET 53 Cb -0.34 -3.41 -0.02 0.00 1.25 0.00 0.00 34.83 32.30 2kaw s MET 53 CO 0.44 0.29 0.72 -0.51 1.05 0.00 0.00 175.02 177.01 2kaw s LEU 54 N 0.36 4.17 0.00 4.11 1.43 -0.61 0.22 118.68 128.36 2kaw s LEU 54 Ca 0.13 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2kaw s LEU 54 Cb -0.12 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2kaw s LEU 54 CO 0.01 -0.31 0.00 0.18 0.23 0.00 0.00 176.35 176.47 2kaw n LEU 55 N 4.99 0.00 -4.61 1.79 4.77 -0.29 -4.56 117.00 119.09 2kaw n LEU 55 Ca 0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 2kaw n LEU 55 Cb 0.49 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2kaw n LEU 55 CO 0.46 -0.12 -0.23 -1.58 -1.33 0.00 0.00 177.39 174.59 2kaw s GLN 56 N -0.24 3.95 -0.39 3.23 0.74 -1.23 -0.63 119.66 125.09 2kaw s GLN 56 Ca 0.00 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.09 2kaw s GLN 56 Cb 0.00 -3.32 0.11 0.00 1.10 0.00 0.00 33.01 30.90 2kaw s GLN 56 CO 0.00 0.14 0.14 0.08 -0.55 0.00 0.00 175.29 175.11 2kaw s VAL 57 N 0.75 1.95 -0.75 1.34 1.01 0.59 -0.37 120.40 124.91 2kaw s VAL 57 Ca 0.05 -2.44 -0.00 0.00 0.00 0.00 0.00 61.98 59.58 2kaw s VAL 57 Cb -0.13 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 2kaw s VAL 57 CO 0.02 -0.71 0.70 0.59 0.00 0.00 0.00 175.10 175.70 2kaw n ASN 58 N 3.97 -7.74 0.00 3.32 4.13 -0.79 -3.62 115.26 114.52 2kaw n ASN 58 Ca 0.04 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2kaw n ASN 58 Cb 0.38 -5.27 0.00 0.00 -1.54 0.00 0.00 39.78 33.35 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 -1.82 0.00 -4.77 6.41 8.00 -1.26 -4.94 116.55 118.17 2kaw n ASP 59 Ca -0.01 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2kaw n ASP 59 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 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 2.75 -0.04 2.53 -7.23 -1.24 -4.99 120.40 112.19 2kaw s VAL 60 Ca 0.00 0.76 0.05 0.00 -1.81 0.00 0.00 61.98 60.98 2kaw s VAL 60 Cb 0.00 -3.48 -0.02 0.00 0.56 0.00 0.00 36.38 33.43 2kaw s VAL 60 CO 0.00 0.18 -0.18 0.21 -0.31 0.00 0.00 175.10 175.00 2kaw s ASN 61 N -0.52 3.71 0.00 4.85 2.47 -1.26 -0.30 114.94 123.89 2kaw s ASN 61 Ca 0.49 -0.29 0.15 0.00 0.42 0.00 0.00 52.86 53.63 2kaw s ASN 61 Cb -0.39 -0.68 0.39 0.00 -1.45 0.00 0.00 41.25 39.12 2kaw s ASN 61 CO 0.52 0.34 1.31 0.49 -3.72 0.00 0.00 177.10 176.04 2kaw n PHE 62 N 2.33 0.56 -0.32 0.43 3.72 0.20 -4.57 117.46 119.81 2kaw n PHE 62 Ca -0.17 -0.43 0.02 0.00 -0.05 0.00 0.00 57.45 56.82 2kaw n PHE 62 Cb 0.52 -0.02 0.20 0.00 -0.94 0.00 0.00 39.48 39.24 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 2.88 1.11 -0.59 -1.08 5.08 -1.87 -2.31 114.58 117.80 2kaw h GLU 63 Ca 0.00 -0.07 -0.34 0.00 -1.00 0.00 0.00 59.36 57.95 2kaw h GLU 63 Cb 0.80 -0.25 -0.20 0.00 0.50 0.00 0.00 28.75 29.60 2kaw h GLU 63 CO 0.00 0.73 0.08 -1.71 -1.00 0.00 0.00 179.01 177.11 2kaw n ASN 64 N -4.45 3.51 -4.19 1.42 5.15 -1.26 -4.97 115.26 110.47 2kaw n ASN 64 Ca 0.13 -3.76 -0.19 0.00 -0.60 0.00 0.00 54.58 50.15 2kaw n ASN 64 Cb 0.12 -0.68 -0.12 0.00 -0.53 0.00 0.00 39.78 38.56 2kaw n ASN 64 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kaw s MET 65 N -3.37 0.86 0.63 1.20 -1.94 -0.87 -5.14 119.30 110.68 2kaw s MET 65 Ca 0.50 -0.98 -0.17 0.00 -1.71 0.00 0.00 55.69 53.33 2kaw s MET 65 Cb 0.43 -0.90 -0.02 0.00 2.01 0.00 0.00 34.83 36.35 2kaw s MET 65 CO 0.02 0.20 1.15 -1.12 -0.01 0.00 0.00 175.02 175.26 2kaw s SER 66 N -1.75 5.14 0.23 3.03 0.01 -1.26 -4.80 113.70 114.30 2kaw s SER 66 Ca -0.01 2.16 -0.07 0.00 1.31 0.00 0.00 55.95 59.35 2kaw s SER 66 Cb -0.10 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.88 2kaw s SER 66 CO 0.02 -1.61 1.81 0.78 0.41 0.00 0.00 173.24 174.65 2kaw h ASN 67 N 0.43 0.61 -0.07 2.44 2.35 -1.93 0.12 115.58 119.52 2kaw h ASN 67 Ca -0.48 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.34 2kaw h ASN 67 Cb 1.27 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 2kaw h ASN 67 CO 0.54 0.37 -0.14 0.44 -1.65 0.00 0.00 177.43 176.99 2kaw h ASP 68 N 0.74 -0.42 -0.72 5.81 3.32 -1.97 -1.12 116.42 122.06 2kaw h ASP 68 Ca 0.35 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.42 2kaw h ASP 68 Cb 0.28 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2kaw h ASP 68 CO -0.22 -0.19 0.24 0.44 -1.72 0.00 0.00 179.24 177.79 2kaw h ASP 69 N -0.19 1.04 -0.27 6.45 3.32 -1.76 -1.13 116.42 123.87 2kaw h ASP 69 Ca 0.07 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.98 2kaw h ASP 69 Cb 0.30 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2kaw h ASP 69 CO -0.19 0.96 0.05 0.00 -1.72 0.00 0.00 179.24 178.34 2kaw h ALA 70 N 1.18 0.28 -0.53 3.45 0.00 -0.23 -0.33 119.26 123.08 2kaw h ALA 70 Ca 0.24 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2kaw h ALA 70 Cb 0.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2kaw h ALA 70 CO -0.01 -0.37 -0.00 0.28 0.00 0.00 0.00 179.25 179.15 2kaw h VAL 71 N 0.14 1.26 -0.36 0.00 2.07 -0.99 -1.05 116.25 117.33 2kaw h VAL 71 Ca 0.13 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2kaw h VAL 71 Cb 0.14 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2kaw h VAL 71 CO -0.18 0.39 0.05 0.03 0.02 0.00 0.00 177.57 177.88 2kaw h ARG 72 N 0.81 0.15 -0.42 1.57 3.08 -0.61 0.32 114.38 119.28 2kaw h ARG 72 Ca 0.15 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 2kaw h ARG 72 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2kaw h ARG 72 CO 0.03 0.10 -0.24 0.28 -1.07 0.00 0.00 179.97 179.07 2kaw h VAL 73 N 0.16 1.28 -0.72 2.04 2.07 -0.98 -3.07 116.25 117.02 2kaw h VAL 73 Ca 0.17 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.35 2kaw h VAL 73 Cb 0.22 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2kaw h VAL 73 CO -0.25 0.47 0.43 0.25 0.02 0.00 0.00 177.57 178.49 2kaw h LEU 74 N 0.74 0.68 -1.44 2.57 5.85 -0.60 -1.46 115.31 121.64 2kaw h LEU 74 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2kaw h LEU 74 Cb 0.81 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2kaw h LEU 74 CO 0.07 0.45 0.32 0.03 -0.34 0.00 0.00 178.44 178.96 2kaw h ARG 75 N 0.81 0.69 -0.41 1.25 3.08 -0.87 0.26 114.38 119.20 2kaw h ARG 75 Ca 0.31 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 2kaw h ARG 75 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2kaw h ARG 75 CO -0.15 0.48 -0.05 0.93 -1.07 0.00 0.00 179.97 180.10 2kaw h GLU 76 N 0.71 0.76 -0.21 0.04 4.39 -1.20 -0.30 114.58 118.76 2kaw h GLU 76 Ca 0.19 -0.27 -0.21 0.00 0.34 0.00 0.00 59.36 59.41 2kaw h GLU 76 Cb -0.04 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2kaw h GLU 76 CO -0.04 0.87 -0.68 0.82 -1.16 0.00 0.00 179.01 178.81 2kaw h ILE 77 N 0.58 1.27 -0.70 3.13 2.04 -0.90 -3.10 117.51 119.84 2kaw h ILE 77 Ca 0.11 -1.87 -0.05 0.00 1.00 0.00 0.00 64.86 64.05 2kaw h ILE 77 Cb 0.56 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2kaw h ILE 77 CO 0.03 0.60 0.23 0.58 0.00 0.00 0.00 178.15 179.60 2kaw h VAL 78 N 0.60 1.25 -0.39 1.67 2.07 -0.44 -2.19 116.25 118.83 2kaw h VAL 78 Ca -0.03 -0.85 -0.13 0.00 0.82 0.00 0.00 66.70 66.52 2kaw h VAL 78 Cb 1.31 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 2kaw h VAL 78 CO 0.15 0.33 0.16 -1.20 0.02 0.00 0.00 177.57 177.03 2kaw n SER 79 N -4.27 3.37 -4.24 0.57 7.64 -0.13 -4.85 113.62 111.71 2kaw n SER 79 Ca 0.06 -2.63 -0.21 0.00 1.01 0.00 0.00 58.87 57.09 2kaw n SER 79 Cb 0.21 -0.63 -0.12 0.00 -1.01 0.00 0.00 64.21 62.66 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 -1.76 1.01 0.53 1.43 2.00 -0.82 -5.01 119.66 117.04 2kaw s GLN 80 Ca 0.28 -1.10 -0.18 0.00 -2.00 0.00 0.00 55.36 52.36 2kaw s GLN 80 Cb 0.22 -1.16 -0.07 0.00 0.80 0.00 0.00 33.01 32.81 2kaw s GLN 80 CO 0.07 0.26 1.04 0.99 -0.50 0.00 0.00 175.29 177.14 2kaw s THR 81 N -1.28 3.91 0.00 -0.34 2.01 -1.26 -4.96 115.64 113.72 2kaw s THR 81 Ca 0.04 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.08 2kaw s THR 81 Cb -0.10 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2kaw s THR 81 CO 0.04 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 2kaw n GLY 82 N -0.69 3.15 3.77 4.40 0.00 -1.26 -5.06 105.19 109.50 2kaw n GLY 82 Ca 0.09 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.58 3.95 -0.18 1.61 0.04 -1.26 -4.59 135.00 130.99 2kaw s PRO 83 Ca 0.00 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2kaw s PRO 83 Cb 0.00 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.76 2kaw s PRO 83 CO 0.00 -0.54 -0.16 0.42 0.04 0.00 0.00 177.00 176.75 2kaw s ILE 84 N -1.22 2.44 -0.30 0.56 1.01 -1.09 -4.96 121.20 117.65 2kaw s ILE 84 Ca 0.57 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 2kaw s ILE 84 Cb -0.40 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2kaw s ILE 84 CO 0.53 0.51 0.19 -0.44 0.00 0.00 0.00 174.94 175.73 2kaw s SER 85 N 1.16 5.87 -0.25 3.58 0.01 -1.26 -0.58 113.70 122.24 2kaw s SER 85 Ca 0.01 -0.23 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 2kaw s SER 85 Cb -0.14 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2kaw s SER 85 CO -0.07 -0.12 0.11 -0.76 0.41 0.00 0.00 173.24 172.81 2kaw s LEU 86 N 1.71 3.68 -0.60 2.44 1.43 0.12 -1.89 118.68 125.58 2kaw s LEU 86 Ca 0.06 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 2kaw s LEU 86 Cb -0.16 -1.99 0.12 0.00 0.03 0.00 0.00 46.19 44.18 2kaw s LEU 86 CO 0.09 -0.01 0.66 -0.89 0.23 0.00 0.00 176.35 176.43 2kaw s THR 87 N 1.50 4.99 0.11 5.49 2.01 0.50 -1.62 115.64 128.62 2kaw s THR 87 Ca 0.06 -1.27 -0.03 0.00 0.31 0.00 0.00 61.69 60.75 2kaw s THR 87 Cb -0.15 -4.45 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 2kaw s THR 87 CO 0.06 -1.05 0.32 0.68 -0.69 0.00 0.00 174.62 173.93 2kaw s VAL 88 N 2.17 5.24 -0.27 3.82 -7.23 0.40 -1.13 120.40 123.40 2kaw s VAL 88 Ca 0.10 -0.08 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 2kaw s VAL 88 Cb -0.25 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.11 2kaw s VAL 88 CO 0.04 0.10 -0.06 0.00 -0.31 0.00 0.00 175.10 174.87 2kaw s ALA 89 N -1.58 2.70 -2.82 1.32 0.00 0.13 -0.62 121.76 120.88 2kaw s ALA 89 Ca 0.38 -1.63 0.23 0.00 0.00 0.00 0.00 51.96 50.94 2kaw s ALA 89 Cb -0.12 -1.74 0.18 0.00 0.00 0.00 0.00 23.12 21.44 2kaw s ALA 89 CO 0.25 -1.04 1.22 1.63 0.00 0.00 0.00 175.76 177.81