#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 5.15 -0.07 -1.44 1.01 -1.26 -0.16 121.20 124.42 2kaw s ILE 2 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 60.65 61.33 2kaw s ILE 2 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2kaw s ILE 2 CO 0.00 0.13 -0.22 -0.63 0.00 0.00 0.00 174.94 174.22 2kaw s ILE 3 N 2.13 2.30 -0.56 2.92 1.01 0.25 -4.96 121.20 124.29 2kaw s ILE 3 Ca 0.16 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 2kaw s ILE 3 Cb -0.16 -1.87 0.14 0.00 0.01 0.00 0.00 42.46 40.59 2kaw s ILE 3 CO 0.10 0.56 0.45 -0.89 0.00 0.00 0.00 174.94 175.17 2kaw s THR 4 N -0.09 4.56 0.27 2.92 2.01 -1.26 -0.91 115.64 123.14 2kaw s THR 4 Ca -0.05 -1.98 -0.11 0.00 0.31 0.00 0.00 61.69 59.85 2kaw s THR 4 Cb -0.14 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 2kaw s THR 4 CO 0.04 -0.85 0.62 0.68 -0.69 0.00 0.00 174.62 174.43 2kaw s VAL 5 N 1.05 4.84 -0.19 3.82 -7.23 0.24 -4.90 120.40 118.04 2kaw s VAL 5 Ca 0.08 0.62 -0.05 0.00 -1.81 0.00 0.00 61.98 60.83 2kaw s VAL 5 Cb -0.24 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 2kaw s VAL 5 CO -0.02 -0.13 -0.01 0.28 -0.31 0.00 0.00 175.10 174.91 2kaw s THR 6 N -1.90 3.93 -0.16 5.32 -1.32 -1.26 -1.24 115.64 119.01 2kaw s THR 6 Ca 0.50 -0.33 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 2kaw s THR 6 Cb -0.11 -2.76 -0.03 0.00 -1.51 0.00 0.00 72.50 68.10 2kaw s THR 6 CO 0.20 0.45 -0.03 -0.76 -2.21 0.00 0.00 174.62 172.28 2kaw s LEU 7 N 0.79 3.31 -0.33 9.08 1.43 0.41 -5.01 118.68 128.36 2kaw s LEU 7 Ca -0.00 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 2kaw s LEU 7 Cb -0.14 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2kaw s LEU 7 CO 0.02 0.17 0.51 0.21 0.23 0.00 0.00 176.35 177.49 2kaw s ASN 8 N 0.34 6.34 -0.09 2.29 3.84 -1.26 -2.37 114.94 124.03 2kaw s ASN 8 Ca -0.03 0.09 0.18 0.00 0.21 0.00 0.00 52.86 53.30 2kaw s ASN 8 Cb -0.14 -2.27 0.67 0.00 -0.55 0.00 0.00 41.25 38.96 2kaw s ASN 8 CO 0.03 -0.44 1.57 0.23 -2.79 0.00 0.00 177.10 175.70 2kaw n MET 9 N 5.70 3.43 0.13 0.43 2.81 -1.26 -3.74 117.12 124.62 2kaw n MET 9 Ca -0.05 -2.66 -0.24 0.00 -1.81 0.00 0.00 57.70 52.94 2kaw n MET 9 Cb 0.49 -1.81 -0.16 0.00 -0.71 0.00 0.00 33.22 31.03 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 3.90 0.50 -0.28 0.03 4.39 -1.91 -3.32 114.58 117.89 2kaw h GLU 10 Ca 0.00 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 58.84 2kaw h GLU 10 Cb 1.31 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2kaw h GLU 10 CO 0.19 1.41 0.00 -2.13 -1.16 0.00 0.00 179.01 177.32 2kaw n ARG 11 N -3.68 2.93 -3.94 2.33 0.63 -1.26 -4.97 116.66 108.69 2kaw n ARG 11 Ca -0.18 -2.69 -0.11 0.00 -0.92 0.00 0.00 57.85 53.96 2kaw n ARG 11 Cb 1.10 -1.73 -0.12 0.00 0.45 0.00 0.00 32.46 32.15 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 -2.47 0.17 -0.06 -0.14 3.76 -1.25 -5.03 115.29 110.28 2kaw s HIS 12 Ca 0.38 -0.28 0.12 0.00 -0.15 0.00 0.00 55.06 55.13 2kaw s HIS 12 Cb 0.30 -0.12 -0.18 0.00 1.11 0.00 0.00 32.58 33.68 2kaw s HIS 12 CO 0.10 -0.10 0.19 0.72 -0.85 0.00 0.00 174.74 174.81 2kaw n HIS 13 N 2.28 0.00 -4.12 1.40 8.25 -1.26 -4.58 115.22 117.19 2kaw n HIS 13 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 2kaw n HIS 13 Cb 0.57 -0.42 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.67 0.78 -0.03 4.41 -0.71 -1.26 -5.07 117.98 113.44 2kaw s PHE 14 Ca -0.05 -1.17 -0.09 0.00 -1.04 0.00 0.00 56.93 54.58 2kaw s PHE 14 Cb 0.07 -0.43 -0.30 0.00 -1.21 0.00 0.00 43.02 41.15 2kaw s PHE 14 CO 0.53 -0.53 0.74 -0.07 -1.34 0.00 0.00 175.22 174.55 2kaw h LEU 15 N 2.85 0.57 -1.90 -1.99 3.38 -1.93 0.45 115.31 116.74 2kaw h LEU 15 Ca -0.35 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 56.79 2kaw h LEU 15 Cb 1.20 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2kaw h LEU 15 CO 0.58 1.68 -0.04 0.61 0.09 0.00 0.00 178.44 181.37 2kaw n GLY 16 N 1.80 0.44 2.94 0.83 0.00 -1.26 -1.36 105.19 108.58 2kaw n GLY 16 Ca -0.22 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.02 -0.67 -0.10 -0.61 -4.36 -1.25 -0.30 121.20 110.89 2kaw s ILE 17 Ca 0.00 -0.17 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 2kaw s ILE 17 Cb -0.00 -0.92 -0.03 0.00 1.25 0.00 0.00 42.46 42.76 2kaw s ILE 17 CO 0.04 -0.18 1.36 -0.94 0.24 0.00 0.00 174.94 175.45 2kaw s SER 18 N 2.59 6.89 0.01 4.36 1.04 -0.15 -4.88 113.70 123.55 2kaw s SER 18 Ca 0.12 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.14 2kaw s SER 18 Cb -0.14 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2kaw s SER 18 CO -0.23 -0.76 1.01 -0.63 0.98 0.00 0.00 173.24 173.60 2kaw s ILE 19 N 3.25 4.75 -0.18 -1.02 -1.09 -1.26 0.11 121.20 125.76 2kaw s ILE 19 Ca 0.60 1.98 0.01 0.00 -2.23 0.00 0.00 60.65 61.01 2kaw s ILE 19 Cb -0.26 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.36 2kaw s ILE 19 CO 0.21 0.16 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.20 2kaw s VAL 20 N 0.98 2.21 -0.33 2.92 1.01 0.84 -4.87 120.40 123.17 2kaw s VAL 20 Ca 0.53 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 2kaw s VAL 20 Cb -0.22 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2kaw s VAL 20 CO 0.28 0.53 0.69 -0.83 0.00 0.00 0.00 175.10 175.77 2kaw s GLY 21 N 1.24 1.73 -0.26 4.51 0.00 -1.26 0.11 107.32 113.39 2kaw s GLY 21 Ca 0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 2kaw s GLY 21 CO -0.10 1.58 1.29 1.62 0.00 0.00 0.00 173.10 177.48 2kaw s GLN 22 N 2.80 4.01 0.17 2.90 0.74 0.43 -4.97 119.66 125.74 2kaw s GLN 22 Ca 0.27 1.36 0.08 0.00 0.05 0.00 0.00 55.36 57.13 2kaw s GLN 22 Cb -0.14 -3.84 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 2kaw s GLN 22 CO 0.14 -1.00 -0.06 -1.12 -0.55 0.00 0.00 175.29 172.70 2kaw s SER 23 N 2.54 4.48 0.00 6.67 0.01 -1.26 -2.71 113.70 123.44 2kaw s SER 23 Ca 0.56 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2kaw s SER 23 Cb -0.18 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.20 2kaw s SER 23 CO 0.20 0.10 0.00 -3.20 0.41 0.00 0.00 173.24 170.76 2kaw n ASN 24 N 0.03 0.00 -0.29 2.44 2.85 -1.26 -4.97 115.26 114.06 2kaw n ASN 24 Ca -0.10 -0.91 -0.03 0.00 -0.11 0.00 0.00 54.58 53.43 2kaw n ASN 24 Cb 0.55 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.71 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 1.04 0.01 1.20 3.32 -2.00 -2.93 116.42 117.05 2kaw h ASP 25 Ca 0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2kaw h ASP 25 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2kaw h ASP 25 CO 0.00 0.82 -0.00 0.03 -1.72 0.00 0.00 179.24 178.37 2kaw h ARG 26 N 1.17 -0.01 0.00 3.56 2.47 -2.01 -3.48 114.38 116.08 2kaw h ARG 26 Ca 0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2kaw h ARG 26 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kaw h ARG 26 CO -0.05 0.43 0.00 0.41 0.56 0.00 0.00 179.97 181.32 2kaw n GLY 27 N 0.10 3.17 3.56 0.04 0.00 -1.11 -5.01 105.19 105.94 2kaw n GLY 27 Ca -0.08 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2kaw n GLY 27 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kaw s ASP 28 N 0.00 6.59 -0.16 1.61 -4.77 -1.26 -4.55 116.67 114.12 2kaw s ASP 28 Ca 0.00 -1.71 0.08 0.00 -3.30 0.00 0.00 52.55 47.62 2kaw s ASP 28 Cb 0.00 -2.56 -0.15 0.00 -1.09 0.00 0.00 42.92 39.11 2kaw s ASP 28 CO 0.00 -1.41 -0.05 0.61 0.70 0.00 0.00 175.17 175.03 2kaw n GLY 29 N 6.47 -0.51 0.00 2.12 0.00 -1.10 -4.99 105.19 107.18 2kaw n GLY 29 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kaw n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kaw n GLY 30 N 2.33 2.46 3.69 -0.02 0.00 -1.23 -4.73 105.19 107.68 2kaw n GLY 30 Ca -0.28 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.99 5.36 0.21 -0.61 -4.36 -1.26 -0.43 121.20 117.11 2kaw s ILE 31 Ca 0.00 0.27 0.11 0.00 -0.26 0.00 0.00 60.65 60.77 2kaw s ILE 31 Cb 0.00 -3.52 -0.04 0.00 1.25 0.00 0.00 42.46 40.14 2kaw s ILE 31 CO 0.00 0.37 -0.20 -0.31 0.24 0.00 0.00 174.94 175.04 2kaw s TYR 32 N 0.81 2.38 -0.29 1.37 1.51 0.12 -1.14 117.35 122.10 2kaw s TYR 32 Ca 0.10 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 2kaw s TYR 32 Cb -0.13 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2kaw s TYR 32 CO 0.03 0.54 1.19 0.42 -1.11 0.00 0.00 175.55 176.62 2kaw s ILE 33 N -1.82 4.33 0.00 2.71 -1.09 0.44 -0.11 121.20 125.66 2kaw s ILE 33 Ca 0.23 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 2kaw s ILE 33 Cb -0.08 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2kaw s ILE 33 CO 0.12 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.00 2kaw n GLY 34 N 4.02 1.17 3.23 6.18 0.00 0.12 -0.37 105.19 119.53 2kaw n GLY 34 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2kaw n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kaw s SER 35 N -1.39 2.55 -0.11 1.61 1.04 -1.25 -4.61 113.70 111.54 2kaw s SER 35 Ca 0.00 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 2kaw s SER 35 Cb 0.00 -0.40 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 2kaw s SER 35 CO 0.00 0.25 0.23 -0.63 0.98 0.00 0.00 173.24 174.06 2kaw s ILE 36 N -0.39 5.35 -0.12 -1.02 1.01 -1.26 -0.98 121.20 123.79 2kaw s ILE 36 Ca 0.05 0.41 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 2kaw s ILE 36 Cb -0.09 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2kaw s ILE 36 CO 0.00 0.55 -0.08 -0.04 0.00 0.00 0.00 174.94 175.36 2kaw s MET 37 N -0.59 3.29 0.06 2.79 -1.94 0.59 -4.95 119.30 118.55 2kaw s MET 37 Ca 0.16 -0.60 -0.31 0.00 -1.71 0.00 0.00 55.69 53.24 2kaw s MET 37 Cb -0.13 -2.71 -0.07 0.00 2.01 0.00 0.00 34.83 33.93 2kaw s MET 37 CO 0.05 0.35 1.51 0.21 -0.01 0.00 0.00 175.02 177.14 2kaw s LYS 38 N 0.02 4.25 0.00 2.03 2.47 -1.26 -2.66 119.74 124.59 2kaw s LYS 38 Ca -0.02 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.55 2kaw s LYS 38 Cb -0.14 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 32.74 2kaw s LYS 38 CO 0.03 -0.62 0.00 0.41 0.16 0.00 0.00 175.35 175.34 2kaw n GLY 39 N 3.77 1.76 3.92 5.54 0.00 -1.26 -5.09 105.19 113.82 2kaw n GLY 39 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.05 1.65 0.38 -0.02 0.00 -1.09 -4.78 107.32 101.41 2kaw s GLY 40 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 43.99 2kaw s GLY 40 CO 0.00 -0.44 2.00 0.00 0.00 0.00 0.00 173.10 174.67 2kaw h ALA 41 N -0.41 1.59 -0.18 3.20 0.00 -0.38 -2.00 119.26 121.08 2kaw h ALA 41 Ca -0.45 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2kaw h ALA 41 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kaw h ALA 41 CO 0.61 0.34 -0.42 0.28 0.00 0.00 0.00 179.25 180.05 2kaw h VAL 42 N 0.59 1.31 0.00 0.00 2.07 -1.48 -2.68 116.25 116.06 2kaw h VAL 42 Ca 0.15 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2kaw h VAL 42 Cb 0.04 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kaw h VAL 42 CO -0.02 0.49 -0.06 0.00 0.02 0.00 0.00 177.57 177.99 2kaw h ALA 43 N 1.20 1.10 0.00 1.67 0.00 -1.51 -0.95 119.26 120.76 2kaw h ALA 43 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kaw h ALA 43 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kaw h ALA 43 CO 0.08 0.08 -0.45 0.00 0.00 0.00 0.00 179.25 178.95 2kaw n ALA 44 N -2.17 2.90 -0.01 0.00 0.00 -1.02 -4.36 120.51 115.85 2kaw n ALA 44 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 2kaw n ALA 44 Cb 0.24 -1.23 -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 0.22 0.00 0.00 0.00 177.50 177.72 2kaw h ASP 45 N 0.00 0.00 0.00 0.00 1.82 -1.11 -3.49 116.42 113.63 2kaw h ASP 45 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kaw h ASP 45 Cb 0.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2kaw h ASP 45 CO 0.00 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.37 2kaw n GLY 46 N 1.75 2.98 0.15 -0.78 0.00 -0.98 -4.91 105.19 103.40 2kaw n GLY 46 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 2.97 0.00 -6.25 1.61 3.08 -1.95 -3.43 114.38 110.40 2kaw h ARG 47 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 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 0.52 0.14 0.42 -1.07 0.00 0.00 179.97 179.97 2kaw s ILE 48 N -3.31 4.78 0.14 2.04 1.01 -1.26 -5.06 121.20 119.53 2kaw s ILE 48 Ca 0.01 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.25 2kaw s ILE 48 Cb 0.10 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2kaw s ILE 48 CO 0.73 0.36 -0.02 -1.83 0.00 0.00 0.00 174.94 174.18 2kaw s GLU 49 N -0.01 1.00 0.10 2.79 -1.05 -1.26 -5.02 118.70 115.25 2kaw s GLU 49 Ca 0.38 -1.46 -0.32 0.00 -0.15 0.00 0.00 54.97 53.42 2kaw s GLU 49 Cb -0.20 -0.22 -0.12 0.00 -0.44 0.00 0.00 34.13 33.15 2kaw s GLU 49 CO 0.22 -0.09 1.78 -2.30 0.95 0.00 0.00 175.26 175.81 2kaw n PRO 50 N -0.16 2.55 0.00 -4.83 -0.02 -1.26 -1.91 135.00 129.37 2kaw n PRO 50 Ca -0.08 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2kaw n PRO 50 Cb 0.62 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 4.05 1.60 3.76 -1.23 0.00 0.50 -4.99 105.19 108.88 2kaw n GLY 51 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.81 6.69 -0.17 1.61 1.01 -0.80 -4.65 116.67 118.55 2kaw s ASP 52 Ca 0.00 2.69 -0.12 0.00 0.71 0.00 0.00 52.55 55.83 2kaw s ASP 52 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2kaw s ASP 52 CO 0.00 -0.64 0.24 -0.32 0.21 0.00 0.00 175.17 174.66 2kaw s MET 53 N -1.06 4.20 -0.34 8.23 -2.45 -1.07 -0.42 119.30 126.40 2kaw s MET 53 Ca 0.55 -0.00 -0.22 0.00 -1.25 0.00 0.00 55.69 54.77 2kaw s MET 53 Cb -0.41 -3.41 0.00 0.00 1.25 0.00 0.00 34.83 32.26 2kaw s MET 53 CO 0.48 0.28 0.69 -0.51 1.05 0.00 0.00 175.02 177.02 2kaw s LEU 54 N 0.36 4.18 -0.27 4.11 1.43 -0.29 0.06 118.68 128.27 2kaw s LEU 54 Ca 0.14 0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 2kaw s LEU 54 Cb -0.12 -2.89 -0.13 0.00 0.03 0.00 0.00 46.19 43.07 2kaw s LEU 54 CO 0.02 -0.61 -0.32 0.18 0.23 0.00 0.00 176.35 175.85 2kaw n LEU 55 N 6.14 2.21 -4.13 1.79 4.77 -0.75 -4.53 117.00 122.50 2kaw n LEU 55 Ca 0.01 0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.95 2kaw n LEU 55 Cb 0.48 -0.83 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 2kaw n LEU 55 CO 0.50 0.67 -0.49 -1.58 -1.33 0.00 0.00 177.39 175.15 2kaw s GLN 56 N -2.50 1.44 -0.20 3.23 0.74 -1.21 -0.69 119.66 120.47 2kaw s GLN 56 Ca -0.37 -0.57 -0.04 0.00 0.05 0.00 0.00 55.36 54.43 2kaw s GLN 56 Cb 0.13 -1.34 0.06 0.00 1.10 0.00 0.00 33.01 32.97 2kaw s GLN 56 CO 0.51 0.30 0.06 0.08 -0.55 0.00 0.00 175.29 175.69 2kaw s VAL 57 N -0.20 0.30 -1.10 1.34 1.01 -0.49 -0.81 120.40 120.45 2kaw s VAL 57 Ca 0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2kaw s VAL 57 Cb -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2kaw s VAL 57 CO 0.00 -0.28 0.86 0.59 0.00 0.00 0.00 175.10 176.27 2kaw n ASN 58 N 5.13 -5.92 0.00 3.32 4.13 -0.63 -3.01 115.26 118.29 2kaw n ASN 58 Ca -0.08 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.32 2kaw n ASN 58 Cb 0.47 -4.29 0.00 0.00 -1.54 0.00 0.00 39.78 34.42 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 -2.95 0.00 -4.77 6.41 8.00 -1.26 -4.95 116.55 117.03 2kaw n ASP 59 Ca -0.08 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 2kaw n ASP 59 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 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 2.81 -0.11 2.53 -7.23 -1.16 -5.01 120.40 112.22 2kaw s VAL 60 Ca 0.00 0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 60.88 2kaw s VAL 60 Cb 0.00 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 2kaw s VAL 60 CO 0.00 0.18 0.19 0.21 -0.31 0.00 0.00 175.10 175.37 2kaw s ASN 61 N -0.59 6.44 0.00 4.85 2.47 -1.26 -1.40 114.94 125.46 2kaw s ASN 61 Ca 0.50 0.53 0.09 0.00 0.42 0.00 0.00 52.86 54.39 2kaw s ASN 61 Cb -0.38 -2.11 0.10 0.00 -1.45 0.00 0.00 41.25 37.41 2kaw s ASN 61 CO 0.51 0.36 0.86 0.49 -3.72 0.00 0.00 177.10 175.60 2kaw n PHE 62 N 2.19 0.07 0.16 0.43 3.72 0.13 -4.56 117.46 119.60 2kaw n PHE 62 Ca -0.18 -0.10 0.04 0.00 -0.05 0.00 0.00 57.45 57.16 2kaw n PHE 62 Cb 0.54 -0.01 0.43 0.00 -0.94 0.00 0.00 39.48 39.51 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 1.73 0.15 -0.78 -1.08 5.08 -1.88 -2.38 114.58 115.42 2kaw h GLU 63 Ca 0.00 -0.03 -0.43 0.00 -1.00 0.00 0.00 59.36 57.89 2kaw h GLU 63 Cb 0.43 -0.02 -0.25 0.00 0.50 0.00 0.00 28.75 29.41 2kaw h GLU 63 CO 0.00 0.30 0.38 0.09 -1.00 0.00 0.00 179.01 178.78 2kaw n ASN 64 N -4.29 3.92 -4.18 1.42 3.02 -1.26 -4.96 115.26 108.93 2kaw n ASN 64 Ca -0.01 -3.70 -0.11 0.00 -0.03 0.00 0.00 54.58 50.72 2kaw n ASN 64 Cb 0.26 -0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 2kaw n ASN 64 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kaw s MET 65 N -3.37 0.85 0.68 3.52 -1.94 -0.90 -5.15 119.30 113.00 2kaw s MET 65 Ca 0.54 -1.32 -0.11 0.00 -1.71 0.00 0.00 55.69 53.09 2kaw s MET 65 Cb 0.46 -0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.02 2kaw s MET 65 CO 0.05 0.00 1.06 -1.54 -0.01 0.00 0.00 175.02 174.58 2kaw s SER 66 N -2.97 5.42 0.23 3.03 1.04 -1.26 -4.82 113.70 114.37 2kaw s SER 66 Ca 0.11 1.64 -0.06 0.00 0.48 0.00 0.00 55.95 58.13 2kaw s SER 66 Cb 0.04 -2.50 0.35 0.00 0.10 0.00 0.00 66.02 64.00 2kaw s SER 66 CO -0.04 -1.42 1.81 0.78 0.98 0.00 0.00 173.24 175.36 2kaw h ASN 67 N -0.58 0.64 0.10 7.02 2.35 -1.92 0.20 115.58 123.39 2kaw h ASN 67 Ca -0.44 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2kaw h ASN 67 Cb 1.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2kaw h ASN 67 CO 0.57 0.38 -0.05 0.44 -1.65 0.00 0.00 177.43 177.12 2kaw h ASP 68 N 0.77 -0.12 -0.41 5.81 5.19 -1.97 -2.15 116.42 123.54 2kaw h ASP 68 Ca 0.37 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.60 2kaw h ASP 68 Cb 0.30 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 2kaw h ASP 68 CO -0.23 0.06 0.10 0.44 -3.12 0.00 0.00 179.24 176.49 2kaw h ASP 69 N -0.29 0.68 -0.08 6.45 3.32 -1.82 -0.18 116.42 124.52 2kaw h ASP 69 Ca -0.01 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.92 2kaw h ASP 69 Cb 0.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2kaw h ASP 69 CO 0.02 0.69 0.03 0.00 -1.72 0.00 0.00 179.24 178.26 2kaw h ALA 70 N 1.40 0.09 -0.35 3.45 0.00 -0.46 -1.53 119.26 121.86 2kaw h ALA 70 Ca 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2kaw h ALA 70 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kaw h ALA 70 CO 0.00 -0.44 -0.21 0.28 0.00 0.00 0.00 179.25 178.88 2kaw h VAL 71 N 0.07 1.27 -0.33 0.00 2.07 -1.12 -2.02 116.25 116.19 2kaw h VAL 71 Ca 0.03 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.32 2kaw h VAL 71 Cb 0.02 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2kaw h VAL 71 CO -0.03 0.42 0.09 0.03 0.02 0.00 0.00 177.57 178.10 2kaw h ARG 72 N 0.59 0.22 -0.34 1.57 3.08 -0.55 0.14 114.38 119.09 2kaw h ARG 72 Ca 0.09 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2kaw h ARG 72 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2kaw h ARG 72 CO 0.05 0.14 -0.28 0.28 -1.07 0.00 0.00 179.97 179.10 2kaw h VAL 73 N 0.22 1.29 -0.84 2.04 2.07 -1.21 -3.07 116.25 116.75 2kaw h VAL 73 Ca 0.15 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.32 2kaw h VAL 73 Cb 0.15 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2kaw h VAL 73 CO -0.18 0.47 0.50 0.25 0.02 0.00 0.00 177.57 178.64 2kaw h LEU 74 N 0.57 0.76 -0.72 2.57 5.85 -0.86 -1.81 115.31 121.67 2kaw h LEU 74 Ca 0.06 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2kaw h LEU 74 Cb 0.85 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2kaw h LEU 74 CO 0.07 0.46 0.45 0.03 -0.34 0.00 0.00 178.44 179.11 2kaw h ARG 75 N 0.89 0.84 -0.55 1.25 3.08 -0.64 0.30 114.38 119.54 2kaw h ARG 75 Ca 0.38 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 2kaw h ARG 75 Cb 0.26 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2kaw h ARG 75 CO -0.21 0.55 0.06 0.93 -1.07 0.00 0.00 179.97 180.24 2kaw h GLU 76 N 0.86 0.90 -0.20 0.04 4.39 -1.28 0.06 114.58 119.35 2kaw h GLU 76 Ca 0.29 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 2kaw h GLU 76 Cb 0.04 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2kaw h GLU 76 CO -0.12 0.86 -0.43 0.82 -1.16 0.00 0.00 179.01 178.98 2kaw h ILE 77 N 0.85 1.32 -0.70 3.13 2.04 -0.73 -2.84 117.51 120.58 2kaw h ILE 77 Ca 0.17 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 2kaw h ILE 77 Cb 0.42 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2kaw h ILE 77 CO 0.01 0.52 0.18 0.58 0.00 0.00 0.00 178.15 179.44 2kaw h VAL 78 N 0.33 1.26 0.00 1.67 2.07 -0.22 -2.13 116.25 119.24 2kaw h VAL 78 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2kaw h VAL 78 Cb 1.03 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2kaw h VAL 78 CO 0.09 0.36 0.00 -1.20 0.02 0.00 0.00 177.57 176.85 2kaw n SER 79 N -4.24 0.00 -4.94 0.57 7.64 -0.01 -4.80 113.62 107.83 2kaw n SER 79 Ca 0.05 -0.28 -0.26 0.00 1.01 0.00 0.00 58.87 59.39 2kaw n SER 79 Cb 0.25 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.44 3.45 0.86 1.43 2.00 -0.80 -5.07 119.66 119.09 2kaw s GLN 80 Ca 0.30 -0.56 -0.12 0.00 -2.00 0.00 0.00 55.36 52.98 2kaw s GLN 80 Cb 0.19 -2.94 0.11 0.00 0.80 0.00 0.00 33.01 31.17 2kaw s GLN 80 CO 0.40 0.50 1.13 0.95 -0.50 0.00 0.00 175.29 177.77 2kaw s THR 81 N -1.77 2.32 0.00 -0.34 -4.23 -1.26 -4.96 115.64 105.39 2kaw s THR 81 Ca 0.35 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2kaw s THR 81 Cb -0.11 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2kaw s THR 81 CO 0.29 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 2kaw n GLY 82 N -2.35 -3.52 3.87 3.99 0.00 -1.26 -5.02 105.19 100.89 2kaw n GLY 82 Ca 0.07 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.97 3.72 -0.13 1.61 0.04 -1.26 -4.41 135.00 133.60 2kaw s PRO 83 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2kaw s PRO 83 Cb 0.00 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2kaw s PRO 83 CO 0.00 -0.27 -0.12 0.42 0.04 0.00 0.00 177.00 177.08 2kaw s ILE 84 N -2.72 1.35 -0.27 0.56 1.01 -1.00 -5.01 121.20 115.12 2kaw s ILE 84 Ca 0.53 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 2kaw s ILE 84 Cb -0.10 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2kaw s ILE 84 CO 0.40 0.42 0.11 -0.44 0.00 0.00 0.00 174.94 175.43 2kaw s SER 85 N 1.49 5.34 -0.13 3.58 0.01 -1.26 -0.44 113.70 122.28 2kaw s SER 85 Ca 0.03 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 2kaw s SER 85 Cb -0.13 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2kaw s SER 85 CO -0.08 -0.10 -0.01 -0.76 0.41 0.00 0.00 173.24 172.70 2kaw s LEU 86 N 1.62 3.46 -0.45 2.44 1.43 -0.37 -1.60 118.68 125.20 2kaw s LEU 86 Ca 0.06 0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2kaw s LEU 86 Cb -0.16 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.36 2kaw s LEU 86 CO 0.05 0.25 0.30 -0.89 0.23 0.00 0.00 176.35 176.29 2kaw s THR 87 N -0.11 3.88 -0.07 5.49 2.01 0.01 -0.59 115.64 126.27 2kaw s THR 87 Ca 0.04 -1.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.08 2kaw s THR 87 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2kaw s THR 87 CO 0.02 -0.75 0.17 0.68 -0.69 0.00 0.00 174.62 174.05 2kaw s VAL 88 N 1.26 5.46 -0.38 3.82 -7.23 -0.09 -1.80 120.40 121.44 2kaw s VAL 88 Ca 0.07 0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 60.22 2kaw s VAL 88 Cb -0.25 -3.47 0.05 0.00 0.56 0.00 0.00 36.38 33.27 2kaw s VAL 88 CO -0.02 0.49 0.19 0.00 -0.31 0.00 0.00 175.10 175.45 2kaw s ALA 89 N -1.16 3.20 -2.75 1.32 0.00 0.11 -0.59 121.76 121.89 2kaw s ALA 89 Ca 0.21 -1.92 0.26 0.00 0.00 0.00 0.00 51.96 50.51 2kaw s ALA 89 Cb -0.12 -2.51 0.62 0.00 0.00 0.00 0.00 23.12 21.11 2kaw s ALA 89 CO 0.11 -1.49 1.50 1.63 0.00 0.00 0.00 175.76 177.51