#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 4.95 -0.05 -1.44 1.01 -1.26 -0.85 121.20 123.56 2kaw s ILE 2 Ca 0.00 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.23 2kaw s ILE 2 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2kaw s ILE 2 CO 0.00 0.11 -0.13 -0.63 0.00 0.00 0.00 174.94 174.29 2kaw s ILE 3 N 1.65 1.16 -0.24 2.92 1.01 0.03 -4.97 121.20 122.75 2kaw s ILE 3 Ca 0.38 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2kaw s ILE 3 Cb -0.17 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 2kaw s ILE 3 CO 0.15 0.35 0.07 -0.89 0.00 0.00 0.00 174.94 174.62 2kaw s THR 4 N 0.28 4.35 -0.06 2.92 2.01 -1.26 -0.57 115.64 123.32 2kaw s THR 4 Ca -0.07 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2kaw s THR 4 Cb -0.12 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2kaw s THR 4 CO 0.02 0.35 -0.14 0.68 -0.69 0.00 0.00 174.62 174.84 2kaw s VAL 5 N 1.51 3.11 -0.39 3.82 -7.23 0.43 -4.94 120.40 116.72 2kaw s VAL 5 Ca 0.06 -0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.44 2kaw s VAL 5 Cb -0.15 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.62 2kaw s VAL 5 CO 0.04 0.59 0.21 -0.89 -0.31 0.00 0.00 175.10 174.73 2kaw s THR 6 N -0.68 4.24 0.08 5.32 2.01 -1.26 -0.20 115.64 125.15 2kaw s THR 6 Ca 0.10 -1.17 -0.23 0.00 0.31 0.00 0.00 61.69 60.70 2kaw s THR 6 Cb -0.11 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 2kaw s THR 6 CO 0.01 -0.35 0.69 -0.76 -0.69 0.00 0.00 174.62 173.52 2kaw s LEU 7 N 1.46 4.51 -0.37 4.42 1.43 0.13 -4.94 118.68 125.32 2kaw s LEU 7 Ca 0.02 1.42 -0.24 0.00 -1.03 0.00 0.00 54.13 54.30 2kaw s LEU 7 Cb -0.21 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.90 2kaw s LEU 7 CO 0.04 0.15 0.82 0.21 0.23 0.00 0.00 176.35 177.80 2kaw s ASN 8 N -0.65 6.58 -0.08 2.29 3.84 -1.26 -2.42 114.94 123.24 2kaw s ASN 8 Ca 0.34 0.41 0.17 0.00 0.21 0.00 0.00 52.86 53.99 2kaw s ASN 8 Cb -0.21 -2.41 0.63 0.00 -0.55 0.00 0.00 41.25 38.71 2kaw s ASN 8 CO 0.22 -0.77 1.52 0.23 -2.79 0.00 0.00 177.10 175.52 2kaw n MET 9 N 6.51 3.24 -0.07 0.43 2.81 -1.26 -3.25 117.12 125.54 2kaw n MET 9 Ca 0.04 -2.50 -0.19 0.00 -1.81 0.00 0.00 57.70 53.23 2kaw n MET 9 Cb 0.48 -1.76 -0.13 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.06 0.00 0.03 4.39 -1.90 -3.38 114.58 117.46 2kaw h GLU 10 Ca 0.00 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 2kaw h GLU 10 Cb 1.23 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 2kaw h GLU 10 CO 0.17 1.05 -1.48 -2.13 -1.16 0.00 0.00 179.01 175.46 2kaw n ARG 11 N -4.36 0.63 -3.97 2.33 0.63 -1.26 -4.89 116.66 105.77 2kaw n ARG 11 Ca -0.23 0.16 -0.36 0.00 -0.92 0.00 0.00 57.85 56.49 2kaw n ARG 11 Cb 0.67 -1.77 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 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 -3.00 3.51 -0.15 -0.14 3.76 -1.20 -4.99 115.29 113.07 2kaw s HIS 12 Ca -0.04 0.44 0.16 0.00 -0.15 0.00 0.00 55.06 55.47 2kaw s HIS 12 Cb 0.09 -1.89 -0.22 0.00 1.11 0.00 0.00 32.58 31.67 2kaw s HIS 12 CO 0.82 0.68 0.10 0.72 -0.85 0.00 0.00 174.74 176.21 2kaw n HIS 13 N 1.83 0.00 -4.19 1.40 8.25 -1.26 -4.46 115.22 116.79 2kaw n HIS 13 Ca -0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.14 2kaw n HIS 13 Cb 0.54 -0.79 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 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 -2.53 1.08 0.04 4.41 -0.71 -1.26 -5.06 117.98 113.96 2kaw s PHE 14 Ca -0.08 -0.68 -0.08 0.00 -1.04 0.00 0.00 56.93 55.05 2kaw s PHE 14 Cb 0.06 -0.59 -0.31 0.00 -1.21 0.00 0.00 43.02 40.97 2kaw s PHE 14 CO 0.71 0.00 1.03 -0.07 -1.34 0.00 0.00 175.22 175.56 2kaw h LEU 15 N 3.44 0.57 -1.85 -1.99 3.38 -1.93 0.86 115.31 117.78 2kaw h LEU 15 Ca -0.37 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 56.89 2kaw h LEU 15 Cb 1.19 -0.19 0.04 0.00 0.09 0.00 0.00 40.66 41.79 2kaw h LEU 15 CO 0.55 1.51 -0.16 0.61 0.09 0.00 0.00 178.44 181.04 2kaw n GLY 16 N 1.63 0.30 2.81 0.83 0.00 -1.26 -1.47 105.19 108.03 2kaw n GLY 16 Ca -0.13 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.07 -0.47 -0.17 -0.61 -4.36 -1.26 0.16 121.20 111.42 2kaw s ILE 17 Ca 0.01 -0.30 -0.29 0.00 -0.26 0.00 0.00 60.65 59.81 2kaw s ILE 17 Cb -0.00 -0.89 -0.02 0.00 1.25 0.00 0.00 42.46 42.79 2kaw s ILE 17 CO 0.15 -0.32 1.38 -0.94 0.24 0.00 0.00 174.94 175.45 2kaw s SER 18 N 2.42 6.79 -0.00 4.36 1.04 -0.77 -4.88 113.70 122.65 2kaw s SER 18 Ca 0.10 1.70 -0.30 0.00 0.48 0.00 0.00 55.95 57.93 2kaw s SER 18 Cb -0.14 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2kaw s SER 18 CO -0.25 -0.90 1.11 -0.63 0.98 0.00 0.00 173.24 173.55 2kaw s ILE 19 N 3.93 4.42 -0.21 -1.02 -1.09 -1.26 0.11 121.20 126.08 2kaw s ILE 19 Ca 0.60 1.74 0.00 0.00 -2.23 0.00 0.00 60.65 60.76 2kaw s ILE 19 Cb -0.23 -4.11 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 2kaw s ILE 19 CO 0.20 0.09 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.17 2kaw s VAL 20 N 1.43 2.40 -0.07 2.92 1.01 0.87 -4.88 120.40 124.09 2kaw s VAL 20 Ca 0.55 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 2kaw s VAL 20 Cb -0.24 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2kaw s VAL 20 CO 0.26 0.36 0.70 -0.83 0.00 0.00 0.00 175.10 175.59 2kaw s GLY 21 N 1.29 2.62 -0.34 4.51 0.00 -1.26 -0.33 107.32 113.80 2kaw s GLY 21 Ca 0.02 0.13 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 2kaw s GLY 21 CO -0.09 1.18 0.73 1.62 0.00 0.00 0.00 173.10 176.54 2kaw s GLN 22 N 0.81 3.82 -0.08 2.90 0.74 0.08 -4.99 119.66 122.94 2kaw s GLN 22 Ca 0.37 0.33 -0.03 0.00 0.05 0.00 0.00 55.36 56.08 2kaw s GLN 22 Cb -0.18 -3.77 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 2kaw s GLN 22 CO 0.18 -0.74 0.04 -1.12 -0.55 0.00 0.00 175.29 173.11 2kaw s SER 23 N 1.74 5.56 0.00 6.67 0.01 -1.26 -3.11 113.70 123.31 2kaw s SER 23 Ca 0.29 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2kaw s SER 23 Cb -0.14 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2kaw s SER 23 CO 0.14 0.37 0.00 -3.20 0.41 0.00 0.00 173.24 170.97 2kaw n ASN 24 N 1.98 0.00 -0.18 2.44 5.15 -1.26 -5.01 115.26 118.38 2kaw n ASN 24 Ca -0.18 -0.61 -0.07 0.00 -0.60 0.00 0.00 54.58 53.12 2kaw n ASN 24 Cb 0.54 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.81 2kaw n ASN 24 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2kaw h ASP 25 N 0.00 0.64 0.05 1.20 3.32 -2.03 -3.32 116.42 116.29 2kaw h ASP 25 Ca 0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kaw h ASP 25 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2kaw h ASP 25 CO 0.00 0.54 -0.03 0.03 -1.72 0.00 0.00 179.24 178.07 2kaw h ARG 26 N 0.69 -0.07 0.00 3.56 2.47 -2.00 -3.49 114.38 115.53 2kaw h ARG 26 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2kaw h ARG 26 Cb 0.04 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2kaw h ARG 26 CO -0.03 -0.05 0.00 0.41 0.56 0.00 0.00 179.97 180.87 2kaw n GLY 27 N 1.25 1.35 2.27 0.04 0.00 -1.25 -5.02 105.19 103.84 2kaw n GLY 27 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 7.33 0.12 1.61 5.75 -1.26 -4.43 116.55 125.67 2kaw n ASP 28 Ca 0.00 -2.73 0.02 0.00 -0.01 0.00 0.00 54.79 52.07 2kaw n ASP 28 Cb 0.00 -1.44 0.00 0.00 -1.03 0.00 0.00 41.12 38.65 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 5.77 0.00 0.00 6.12 0.00 -1.93 -3.50 103.07 109.52 2kaw h GLY 29 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2kaw h GLY 29 CO 1.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.31 2kaw n GLY 30 N 1.25 -1.42 3.67 4.60 0.00 -1.25 -4.58 105.19 107.45 2kaw n GLY 30 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.41 4.78 0.29 -0.61 -4.36 -1.26 -0.74 121.20 116.90 2kaw s ILE 31 Ca 0.00 -0.04 0.10 0.00 -0.26 0.00 0.00 60.65 60.45 2kaw s ILE 31 Cb 0.00 -3.13 -0.05 0.00 1.25 0.00 0.00 42.46 40.53 2kaw s ILE 31 CO 0.00 0.50 -0.16 -0.31 0.24 0.00 0.00 174.94 175.21 2kaw s TYR 32 N 0.03 2.23 -0.29 1.37 1.51 0.55 -1.61 117.35 121.15 2kaw s TYR 32 Ca 0.06 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.41 2kaw s TYR 32 Cb -0.12 -1.08 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2kaw s TYR 32 CO 0.01 0.61 0.98 0.42 -1.11 0.00 0.00 175.55 176.46 2kaw s ILE 33 N -2.62 4.64 0.00 2.71 -1.09 0.84 -0.09 121.20 125.58 2kaw s ILE 33 Ca 0.30 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 2kaw s ILE 33 Cb -0.02 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 2kaw s ILE 33 CO 0.14 -0.32 0.08 0.61 -1.23 0.00 0.00 174.94 174.22 2kaw n GLY 34 N 3.81 0.31 3.07 6.18 0.00 0.12 -0.64 105.19 118.04 2kaw n GLY 34 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2kaw n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kaw s SER 35 N -1.95 0.93 -0.21 1.61 0.01 -1.25 -4.53 113.70 108.31 2kaw s SER 35 Ca 0.00 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 56.61 2kaw s SER 35 Cb 0.00 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 2kaw s SER 35 CO 0.00 -0.19 0.13 -0.63 0.41 0.00 0.00 173.24 172.96 2kaw s ILE 36 N -1.36 5.38 -0.23 1.44 1.01 -1.26 -1.85 121.20 124.32 2kaw s ILE 36 Ca -0.09 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 2kaw s ILE 36 Cb -0.10 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2kaw s ILE 36 CO 0.01 0.42 0.40 -0.04 0.00 0.00 0.00 174.94 175.73 2kaw s MET 37 N 0.51 4.12 0.13 2.79 -1.94 0.12 -4.97 119.30 120.06 2kaw s MET 37 Ca 0.08 0.17 -0.31 0.00 -1.71 0.00 0.00 55.69 53.91 2kaw s MET 37 Cb -0.12 -3.58 -0.11 0.00 2.01 0.00 0.00 34.83 33.04 2kaw s MET 37 CO -0.01 -0.14 1.83 0.21 -0.01 0.00 0.00 175.02 176.90 2kaw s LYS 38 N 1.63 4.13 0.00 2.03 2.47 -1.26 -2.10 119.74 126.65 2kaw s LYS 38 Ca 0.18 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.20 2kaw s LYS 38 Cb -0.15 -3.55 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 2kaw s LYS 38 CO 0.09 -0.84 0.00 0.41 0.16 0.00 0.00 175.35 175.17 2kaw n GLY 39 N 4.22 0.96 3.95 5.54 0.00 -1.26 -5.10 105.19 113.51 2kaw n GLY 39 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.37 1.74 0.35 -0.02 0.00 -0.89 -4.80 107.32 102.33 2kaw s GLY 40 Ca 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.63 2kaw s GLY 40 CO 0.00 -0.82 1.92 0.00 0.00 0.00 0.00 173.10 174.19 2kaw h ALA 41 N -0.12 1.44 -0.29 3.20 0.00 -0.33 -2.60 119.26 120.56 2kaw h ALA 41 Ca -0.43 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 2kaw h ALA 41 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2kaw h ALA 41 CO 0.56 0.41 -0.41 0.28 0.00 0.00 0.00 179.25 180.09 2kaw h VAL 42 N 0.55 1.29 0.00 0.00 2.07 -1.53 -2.53 116.25 116.11 2kaw h VAL 42 Ca 0.13 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2kaw h VAL 42 Cb 0.23 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kaw h VAL 42 CO -0.00 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.10 2kaw h ALA 43 N 0.97 1.00 0.00 1.67 0.00 -1.63 -0.89 119.26 120.37 2kaw h ALA 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kaw h ALA 43 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kaw h ALA 43 CO 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 179.25 178.83 2kaw n ALA 44 N -1.84 3.07 -0.41 0.00 0.00 -0.96 -4.49 120.51 115.88 2kaw n ALA 44 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2kaw n ALA 44 Cb 0.20 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.85 0.00 0.00 0.00 2.03 -0.37 -5.04 116.55 111.33 2kaw n ASP 45 Ca 0.04 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2kaw n ASP 45 Cb 0.39 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 1.99 2.30 0.22 0.27 0.00 -1.03 -4.94 105.19 103.99 2kaw n GLY 46 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.80 0.33 -6.31 1.61 3.08 -1.96 -3.42 114.38 108.51 2kaw h ARG 47 Ca 0.00 -0.14 -0.55 0.00 0.07 0.00 0.00 59.98 59.37 2kaw h ARG 47 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2kaw h ARG 47 CO 0.00 0.63 0.13 0.42 -1.07 0.00 0.00 179.97 180.09 2kaw s ILE 48 N -4.32 4.68 0.07 2.04 1.01 -1.26 -5.06 121.20 118.36 2kaw s ILE 48 Ca -0.05 1.58 -0.02 0.00 0.00 0.00 0.00 60.65 62.15 2kaw s ILE 48 Cb 0.14 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2kaw s ILE 48 CO 0.78 0.41 0.02 -1.83 0.00 0.00 0.00 174.94 174.32 2kaw s GLU 49 N -0.33 0.71 -0.17 2.79 -1.05 -1.26 -4.98 118.70 114.40 2kaw s GLU 49 Ca 0.37 -1.23 -0.37 0.00 -0.15 0.00 0.00 54.97 53.59 2kaw s GLU 49 Cb -0.21 0.24 -0.14 0.00 -0.44 0.00 0.00 34.13 33.58 2kaw s GLU 49 CO 0.23 -0.17 1.81 -2.30 0.95 0.00 0.00 175.26 175.78 2kaw n PRO 50 N 0.04 1.70 0.00 -4.83 -0.02 -1.26 -1.73 135.00 128.90 2kaw n PRO 50 Ca -0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2kaw n PRO 50 Cb 0.62 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.29 1.04 3.77 -1.23 0.00 0.18 -5.01 105.19 108.23 2kaw n GLY 51 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.76 6.99 -0.15 1.61 1.01 -0.71 -4.71 116.67 118.95 2kaw s ASP 52 Ca 0.00 2.29 -0.10 0.00 0.71 0.00 0.00 52.55 55.45 2kaw s ASP 52 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2kaw s ASP 52 CO 0.00 -0.34 0.19 -0.32 0.21 0.00 0.00 175.17 174.90 2kaw s MET 53 N -1.82 3.90 -0.24 8.23 -2.45 -1.07 -0.12 119.30 125.74 2kaw s MET 53 Ca 0.49 -0.08 -0.21 0.00 -1.25 0.00 0.00 55.69 54.65 2kaw s MET 53 Cb -0.31 -3.32 -0.02 0.00 1.25 0.00 0.00 34.83 32.43 2kaw s MET 53 CO 0.40 0.50 0.64 -0.51 1.05 0.00 0.00 175.02 177.10 2kaw s LEU 54 N -0.25 4.08 -0.07 4.11 1.43 -0.64 0.11 118.68 127.45 2kaw s LEU 54 Ca 0.13 0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 53.91 2kaw s LEU 54 Cb -0.12 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2kaw s LEU 54 CO 0.02 -0.36 -0.15 0.18 0.23 0.00 0.00 176.35 176.28 2kaw n LEU 55 N 5.61 0.93 -4.24 1.79 4.77 -0.11 -4.63 117.00 121.11 2kaw n LEU 55 Ca -0.00 0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 2kaw n LEU 55 Cb 0.49 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.88 2kaw n LEU 55 CO 0.43 -0.43 -0.56 -1.58 -1.33 0.00 0.00 177.39 173.93 2kaw s GLN 56 N -1.91 2.47 -0.32 3.23 0.74 -1.19 -0.30 119.66 122.38 2kaw s GLN 56 Ca -0.12 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.43 2kaw s GLN 56 Cb 0.02 -2.08 0.10 0.00 1.10 0.00 0.00 33.01 32.15 2kaw s GLN 56 CO 0.18 0.35 0.08 0.08 -0.55 0.00 0.00 175.29 175.43 2kaw s VAL 57 N -0.09 1.25 -1.05 1.34 1.01 0.16 -0.22 120.40 122.80 2kaw s VAL 57 Ca -0.05 -1.64 -0.07 0.00 0.00 0.00 0.00 61.98 60.22 2kaw s VAL 57 Cb -0.14 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 2kaw s VAL 57 CO 0.04 -0.65 0.90 0.59 0.00 0.00 0.00 175.10 175.97 2kaw n ASN 58 N 4.69 -6.56 0.00 3.32 4.13 -0.47 -2.95 115.26 117.42 2kaw n ASN 58 Ca -0.01 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.54 2kaw n ASN 58 Cb 0.42 -5.02 0.00 0.00 -1.54 0.00 0.00 39.78 33.64 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 -3.11 0.00 -4.77 6.41 8.00 -1.26 -4.96 116.55 116.86 2kaw n ASP 59 Ca -0.07 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.03 2kaw n ASP 59 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.70 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 2.70 -0.14 2.53 -7.23 -1.15 -5.01 120.40 112.10 2kaw s VAL 60 Ca 0.00 0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 60.79 2kaw s VAL 60 Cb 0.00 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 2kaw s VAL 60 CO 0.00 0.11 -0.05 0.21 -0.31 0.00 0.00 175.10 175.05 2kaw s ASN 61 N -0.72 4.69 0.00 4.85 2.47 -1.26 -0.66 114.94 124.30 2kaw s ASN 61 Ca 0.55 -0.13 0.11 0.00 0.42 0.00 0.00 52.86 53.81 2kaw s ASN 61 Cb -0.38 -1.65 0.10 0.00 -1.45 0.00 0.00 41.25 37.87 2kaw s ASN 61 CO 0.49 0.21 0.87 0.49 -3.72 0.00 0.00 177.10 175.43 2kaw n PHE 62 N 3.26 0.02 0.12 0.43 3.72 0.58 -4.59 117.46 121.01 2kaw n PHE 62 Ca -0.18 -0.02 0.04 0.00 -0.05 0.00 0.00 57.45 57.24 2kaw n PHE 62 Cb 0.53 -0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.53 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 2.15 0.27 -0.34 -1.08 5.08 -1.83 -2.59 114.58 116.24 2kaw h GLU 63 Ca 0.00 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2kaw h GLU 63 Cb 0.47 -0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.51 2kaw h GLU 63 CO 0.00 0.28 -0.41 -1.71 -1.00 0.00 0.00 179.01 176.16 2kaw n ASN 64 N -4.40 3.04 -4.45 1.42 5.15 -1.26 -5.00 115.26 109.76 2kaw n ASN 64 Ca -0.00 -3.83 -0.23 0.00 -0.60 0.00 0.00 54.58 49.92 2kaw n ASN 64 Cb 0.16 -0.53 -0.10 0.00 -0.53 0.00 0.00 39.78 38.78 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 1.61 0.54 1.20 -1.94 -0.98 -5.13 119.30 111.24 2kaw s MET 65 Ca 0.45 -1.75 -0.20 0.00 -1.71 0.00 0.00 55.69 52.48 2kaw s MET 65 Cb 0.40 -1.60 -0.06 0.00 2.01 0.00 0.00 34.83 35.58 2kaw s MET 65 CO -0.02 0.27 1.12 -1.12 -0.01 0.00 0.00 175.02 175.26 2kaw s SER 66 N -3.48 5.77 0.15 3.03 0.01 -1.26 -4.82 113.70 113.11 2kaw s SER 66 Ca 0.29 2.16 -0.20 0.00 1.31 0.00 0.00 55.95 59.51 2kaw s SER 66 Cb -0.03 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2kaw s SER 66 CO 0.13 -1.19 1.66 0.78 0.41 0.00 0.00 173.24 175.04 2kaw h ASN 67 N 1.24 -0.47 -0.58 2.44 2.35 -1.93 0.40 115.58 119.02 2kaw h ASN 67 Ca -0.50 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 2kaw h ASN 67 Cb 1.26 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.86 2kaw h ASN 67 CO 0.57 -0.18 0.20 0.44 -1.65 0.00 0.00 177.43 176.81 2kaw h ASP 68 N -0.11 0.82 -0.32 5.81 5.19 -1.98 -2.68 116.42 123.15 2kaw h ASP 68 Ca 0.14 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2kaw h ASP 68 Cb 0.33 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 2kaw h ASP 68 CO -0.33 0.80 0.04 -0.78 -3.12 0.00 0.00 179.24 175.84 2kaw h ASP 69 N 0.81 0.60 -0.52 6.45 3.58 -1.72 -0.58 116.42 125.04 2kaw h ASP 69 Ca 0.19 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2kaw h ASP 69 Cb 0.25 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2kaw h ASP 69 CO -0.01 0.65 0.28 0.00 -2.88 0.00 0.00 179.24 177.28 2kaw h ALA 70 N 1.43 0.66 -0.26 -0.78 0.00 0.06 -1.37 119.26 119.00 2kaw h ALA 70 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2kaw h ALA 70 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kaw h ALA 70 CO 0.01 0.19 -0.27 0.28 0.00 0.00 0.00 179.25 179.46 2kaw h VAL 71 N 0.69 1.27 0.37 0.00 2.07 -1.12 0.17 116.25 119.70 2kaw h VAL 71 Ca 0.18 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2kaw h VAL 71 Cb 0.05 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2kaw h VAL 71 CO -0.03 0.42 -0.24 0.03 0.02 0.00 0.00 177.57 177.77 2kaw h ARG 72 N 0.45 -0.57 -0.50 1.57 3.08 -0.51 0.15 114.38 118.05 2kaw h ARG 72 Ca 0.06 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2kaw h ARG 72 Cb 0.70 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2kaw h ARG 72 CO 0.05 -0.38 -0.08 0.28 -1.07 0.00 0.00 179.97 178.78 2kaw h VAL 73 N -0.59 1.26 -0.73 2.04 2.07 -1.20 -2.85 116.25 116.26 2kaw h VAL 73 Ca -0.04 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.32 2kaw h VAL 73 Cb 0.49 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2kaw h VAL 73 CO 0.03 0.41 0.47 0.25 0.02 0.00 0.00 177.57 178.76 2kaw h LEU 74 N 0.81 0.79 -1.45 2.57 5.85 -0.68 -1.94 115.31 121.26 2kaw h LEU 74 Ca 0.14 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kaw h LEU 74 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2kaw h LEU 74 CO 0.04 0.56 0.31 0.03 -0.34 0.00 0.00 178.44 179.04 2kaw h ARG 75 N 0.94 0.68 -0.29 1.25 3.08 -0.47 0.21 114.38 119.78 2kaw h ARG 75 Ca 0.28 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 2kaw h ARG 75 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2kaw h ARG 75 CO -0.08 0.47 -0.11 0.93 -1.07 0.00 0.00 179.97 180.11 2kaw h GLU 76 N 0.69 0.48 0.16 0.04 4.39 -1.22 0.49 114.58 119.61 2kaw h GLU 76 Ca 0.18 -0.13 -0.23 0.00 0.34 0.00 0.00 59.36 59.53 2kaw h GLU 76 Cb -0.03 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2kaw h GLU 76 CO -0.04 0.59 -0.98 0.82 -1.16 0.00 0.00 179.01 178.25 2kaw h ILE 77 N 0.45 1.44 0.00 3.13 2.04 -0.97 -3.25 117.51 120.35 2kaw h ILE 77 Ca 0.09 -2.55 -0.04 0.00 1.00 0.00 0.00 64.86 63.36 2kaw h ILE 77 Cb 0.47 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 2kaw h ILE 77 CO 0.03 0.74 -0.20 0.58 0.00 0.00 0.00 178.15 179.29 2kaw h VAL 78 N -0.20 1.04 -0.89 1.67 2.07 -0.48 -1.87 116.25 117.59 2kaw h VAL 78 Ca -0.17 -0.70 -0.42 0.00 0.82 0.00 0.00 66.70 66.23 2kaw h VAL 78 Cb 1.76 1.39 -0.25 0.00 -1.52 0.00 0.00 31.29 32.67 2kaw h VAL 78 CO 0.18 0.19 0.53 -1.20 0.02 0.00 0.00 177.57 177.30 2kaw n SER 79 N -4.15 4.00 -4.23 0.57 7.64 0.15 -4.93 113.62 112.66 2kaw n SER 79 Ca -0.02 -3.43 -0.28 0.00 1.01 0.00 0.00 58.87 56.14 2kaw n SER 79 Cb 0.27 -0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 62.60 2kaw n SER 79 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2kaw n GLN 80 N -0.81 0.74 -4.36 1.43 -0.06 -0.70 -4.99 117.38 108.62 2kaw n GLN 80 Ca 0.52 -3.43 -0.35 0.00 -2.00 0.00 0.00 57.00 51.75 2kaw n GLN 80 Cb 1.55 1.28 -0.09 0.00 -4.06 0.00 0.00 30.24 28.92 2kaw n GLN 80 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2kaw s THR 81 N -2.85 4.31 0.00 1.69 2.01 -1.26 -5.04 115.64 114.50 2kaw s THR 81 Ca 0.08 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2kaw s THR 81 Cb 0.00 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.69 2kaw s THR 81 CO 0.06 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2kaw n GLY 82 N 2.06 2.90 3.72 4.40 0.00 -1.26 -5.06 105.19 111.94 2kaw n GLY 82 Ca -0.18 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 2kaw n GLY 82 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kaw s PRO 83 N -2.08 4.37 -0.31 1.61 0.02 -1.26 -4.49 135.00 132.85 2kaw s PRO 83 Ca 0.00 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 2kaw s PRO 83 Cb 0.00 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 2kaw s PRO 83 CO 0.00 -0.34 0.18 0.42 -0.33 0.00 0.00 177.00 176.93 2kaw s ILE 84 N 0.85 4.95 -0.31 2.83 1.01 -1.02 -4.94 121.20 124.58 2kaw s ILE 84 Ca 0.61 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 2kaw s ILE 84 Cb -0.35 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2kaw s ILE 84 CO 0.32 0.09 0.16 -0.44 0.00 0.00 0.00 174.94 175.07 2kaw s SER 85 N 1.68 5.60 -0.22 3.58 0.01 -1.26 0.18 113.70 123.27 2kaw s SER 85 Ca 0.06 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 2kaw s SER 85 Cb -0.17 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 2kaw s SER 85 CO 0.08 -0.17 0.07 -0.76 0.41 0.00 0.00 173.24 172.87 2kaw s LEU 86 N 1.64 3.58 -0.47 2.44 1.43 0.72 -1.37 118.68 126.65 2kaw s LEU 86 Ca 0.05 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2kaw s LEU 86 Cb -0.17 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.20 2kaw s LEU 86 CO 0.07 0.05 0.37 -0.89 0.23 0.00 0.00 176.35 176.18 2kaw s THR 87 N 1.12 4.97 0.09 5.49 2.01 0.70 -0.42 115.64 129.59 2kaw s THR 87 Ca 0.04 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 60.86 2kaw s THR 87 Cb -0.14 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2kaw s THR 87 CO 0.03 -0.60 0.16 0.68 -0.69 0.00 0.00 174.62 174.20 2kaw s VAL 88 N 1.58 4.95 -0.38 3.82 -7.23 0.27 -0.94 120.40 122.47 2kaw s VAL 88 Ca 0.04 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.49 2kaw s VAL 88 Cb -0.25 -3.43 0.06 0.00 0.56 0.00 0.00 36.38 33.32 2kaw s VAL 88 CO 0.05 0.08 0.18 0.00 -0.31 0.00 0.00 175.10 175.10 2kaw s ALA 89 N -1.51 3.16 -2.24 1.32 0.00 0.12 -0.79 121.76 121.82 2kaw s ALA 89 Ca 0.32 -1.94 0.18 0.00 0.00 0.00 0.00 51.96 50.52 2kaw s ALA 89 Cb -0.12 -2.45 0.14 0.00 0.00 0.00 0.00 23.12 20.70 2kaw s ALA 89 CO 0.25 -1.49 1.07 1.63 0.00 0.00 0.00 175.76 177.22