#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 5.07 -0.08 -1.44 1.01 -1.26 -0.17 121.20 124.33 2kaw s ILE 2 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 60.65 61.70 2kaw s ILE 2 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2kaw s ILE 2 CO 0.00 0.14 -0.16 -0.63 0.00 0.00 0.00 174.94 174.29 2kaw s ILE 3 N 1.84 1.42 -0.28 2.92 1.01 0.27 -4.98 121.20 123.39 2kaw s ILE 3 Ca 0.25 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2kaw s ILE 3 Cb -0.16 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 2kaw s ILE 3 CO 0.10 0.42 0.18 -0.89 0.00 0.00 0.00 174.94 174.75 2kaw s THR 4 N 0.60 5.15 -0.10 2.92 2.01 -1.26 -1.12 115.64 123.84 2kaw s THR 4 Ca -0.15 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2kaw s THR 4 Cb -0.16 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2kaw s THR 4 CO 0.05 0.22 -0.01 0.68 -0.69 0.00 0.00 174.62 174.87 2kaw s VAL 5 N 1.73 4.20 -0.26 3.82 -7.23 0.40 -4.92 120.40 118.14 2kaw s VAL 5 Ca 0.07 -0.28 -0.06 0.00 -1.81 0.00 0.00 61.98 59.89 2kaw s VAL 5 Cb -0.16 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 2kaw s VAL 5 CO 0.10 0.57 0.05 0.28 -0.31 0.00 0.00 175.10 175.79 2kaw s THR 6 N -0.56 4.03 0.11 5.32 -1.32 -1.26 -0.09 115.64 121.86 2kaw s THR 6 Ca 0.09 -0.38 0.05 0.00 -1.21 0.00 0.00 61.69 60.24 2kaw s THR 6 Cb -0.12 -2.93 -0.04 0.00 -1.51 0.00 0.00 72.50 67.90 2kaw s THR 6 CO 0.02 0.28 0.02 -0.76 -2.21 0.00 0.00 174.62 171.98 2kaw s LEU 7 N 1.56 3.51 -0.18 9.08 1.43 -0.55 -5.01 118.68 128.52 2kaw s LEU 7 Ca 0.05 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 2kaw s LEU 7 Cb -0.15 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2kaw s LEU 7 CO 0.02 0.15 0.45 0.21 0.23 0.00 0.00 176.35 177.42 2kaw s ASN 8 N -2.46 6.55 -0.21 2.29 3.84 -1.26 -3.38 114.94 120.31 2kaw s ASN 8 Ca 0.27 0.65 0.15 0.00 0.21 0.00 0.00 52.86 54.14 2kaw s ASN 8 Cb -0.11 -2.26 0.58 0.00 -0.55 0.00 0.00 41.25 38.90 2kaw s ASN 8 CO 0.19 -0.08 1.49 0.23 -2.79 0.00 0.00 177.10 176.14 2kaw n MET 9 N 4.31 3.11 -0.07 0.43 2.81 -1.26 -4.07 117.12 122.37 2kaw n MET 9 Ca -0.07 -2.93 -0.10 0.00 -1.81 0.00 0.00 57.70 52.79 2kaw n MET 9 Cb 0.51 -1.92 -0.07 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 2.04 0.00 0.00 0.03 4.39 -1.94 -3.38 114.58 115.71 2kaw h GLU 10 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kaw h GLU 10 Cb 1.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2kaw h GLU 10 CO 0.31 0.52 -0.84 -0.09 -1.16 0.00 0.00 179.01 177.75 2kaw h ARG 11 N -1.00 0.00 -5.46 2.33 2.43 -2.03 -3.45 114.38 107.19 2kaw h ARG 11 Ca -0.09 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.44 2kaw h ARG 11 Cb 0.72 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.17 2kaw h ARG 11 CO -0.05 0.00 -0.49 -1.01 -1.51 0.00 0.00 179.97 176.91 2kaw s HIS 12 N -3.25 3.50 -0.03 2.20 3.76 -1.26 -4.98 115.29 115.23 2kaw s HIS 12 Ca 0.03 0.42 0.21 0.00 -0.15 0.00 0.00 55.06 55.57 2kaw s HIS 12 Cb 0.12 -2.04 -0.32 0.00 1.11 0.00 0.00 32.58 31.45 2kaw s HIS 12 CO 0.76 0.51 0.45 0.72 -0.85 0.00 0.00 174.74 176.33 2kaw n HIS 13 N 2.73 0.00 -3.99 1.40 8.25 -1.26 -4.56 115.22 117.79 2kaw n HIS 13 Ca -0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.20 2kaw n HIS 13 Cb 0.54 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 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 -3.42 0.33 0.04 4.41 -0.71 -1.26 -5.05 117.98 112.32 2kaw s PHE 14 Ca -0.08 -0.75 -0.02 0.00 -1.04 0.00 0.00 56.93 55.05 2kaw s PHE 14 Cb 0.13 -0.24 -0.27 0.00 -1.21 0.00 0.00 43.02 41.43 2kaw s PHE 14 CO 0.85 -0.37 0.98 -0.07 -1.34 0.00 0.00 175.22 175.28 2kaw h LEU 15 N 3.48 0.36 -2.35 -1.99 3.38 -1.93 -0.08 115.31 116.18 2kaw h LEU 15 Ca -0.33 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.10 2kaw h LEU 15 Cb 1.17 -0.12 0.05 0.00 0.09 0.00 0.00 40.66 41.86 2kaw h LEU 15 CO 0.56 1.36 -0.24 0.61 0.09 0.00 0.00 178.44 180.83 2kaw n GLY 16 N 1.59 0.25 2.89 0.83 0.00 -1.26 -1.00 105.19 108.49 2kaw n GLY 16 Ca -0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.11 -0.60 -0.14 -0.61 -4.36 -1.26 -0.33 121.20 110.79 2kaw s ILE 17 Ca 0.07 -0.25 -0.29 0.00 -0.26 0.00 0.00 60.65 59.91 2kaw s ILE 17 Cb -0.01 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.74 2kaw s ILE 17 CO 0.22 -0.26 1.34 -0.94 0.24 0.00 0.00 174.94 175.54 2kaw s SER 18 N 2.52 6.89 -0.07 4.36 1.04 -0.69 -4.87 113.70 122.89 2kaw s SER 18 Ca 0.11 1.80 -0.30 0.00 0.48 0.00 0.00 55.95 58.04 2kaw s SER 18 Cb -0.13 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 2kaw s SER 18 CO -0.26 -0.79 1.10 -0.63 0.98 0.00 0.00 173.24 173.64 2kaw s ILE 19 N 3.57 4.53 -0.22 -1.02 -1.09 -1.26 0.10 121.20 125.82 2kaw s ILE 19 Ca 0.58 1.82 -0.01 0.00 -2.23 0.00 0.00 60.65 60.82 2kaw s ILE 19 Cb -0.24 -4.17 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2kaw s ILE 19 CO 0.18 0.01 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.10 2kaw s VAL 20 N 2.02 2.65 -0.12 2.92 1.01 0.18 -4.89 120.40 124.17 2kaw s VAL 20 Ca 0.52 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2kaw s VAL 20 Cb -0.22 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2kaw s VAL 20 CO 0.21 0.35 0.53 -0.83 0.00 0.00 0.00 175.10 175.35 2kaw s GLY 21 N 1.33 2.39 -0.25 4.51 0.00 -1.26 0.07 107.32 114.10 2kaw s GLY 21 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.46 2kaw s GLY 21 CO -0.07 0.90 0.31 1.62 0.00 0.00 0.00 173.10 175.86 2kaw s GLN 22 N 0.81 4.04 0.08 2.90 0.74 0.24 -4.98 119.66 123.49 2kaw s GLN 22 Ca 0.28 -0.05 0.06 0.00 0.05 0.00 0.00 55.36 55.70 2kaw s GLN 22 Cb -0.16 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 2kaw s GLN 22 CO 0.12 -0.16 -0.15 -1.12 -0.55 0.00 0.00 175.29 173.42 2kaw s SER 23 N 1.46 1.86 0.00 6.67 0.01 -1.26 -2.46 113.70 119.98 2kaw s SER 23 Ca 0.13 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2kaw s SER 23 Cb -0.15 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2kaw s SER 23 CO 0.09 -0.06 0.00 -3.20 0.41 0.00 0.00 173.24 170.48 2kaw n ASN 24 N 1.19 0.15 -0.12 2.44 5.15 -1.26 -4.97 115.26 117.84 2kaw n ASN 24 Ca -0.20 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.69 2kaw n ASN 24 Cb 0.54 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.79 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 0.45 0.00 1.20 3.32 -2.04 -3.34 116.42 116.01 2kaw h ASP 25 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2kaw h ASP 25 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2kaw h ASP 25 CO 0.00 0.35 0.00 0.54 -1.72 0.00 0.00 179.24 178.41 2kaw n ARG 26 N -4.80 0.00 0.00 3.56 5.12 -1.26 -5.03 116.66 114.25 2kaw n ARG 26 Ca 0.00 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2kaw n ARG 26 Cb 0.04 -0.77 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 2kaw n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kaw n GLY 27 N 1.54 1.08 2.02 -0.13 0.00 -1.26 -5.02 105.19 103.42 2kaw n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 5.09 0.06 1.61 5.75 -1.26 -4.39 116.55 123.41 2kaw n ASP 28 Ca 0.00 -2.45 -0.16 0.00 -0.01 0.00 0.00 54.79 52.17 2kaw n ASP 28 Cb 0.00 -1.37 -0.07 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 5.04 0.56 0.00 6.12 0.00 -1.87 -3.50 103.07 109.43 2kaw h GLY 29 Ca 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2kaw h GLY 29 CO 0.25 0.88 0.00 0.61 0.00 0.00 0.00 176.54 178.27 2kaw n GLY 30 N 1.00 2.26 3.69 4.60 0.00 -1.17 -4.75 105.19 110.83 2kaw n GLY 30 Ca -0.08 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.92 5.37 0.28 -0.61 -4.36 -1.26 -0.59 121.20 117.11 2kaw s ILE 31 Ca 0.00 0.24 0.10 0.00 -0.26 0.00 0.00 60.65 60.73 2kaw s ILE 31 Cb 0.00 -3.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.15 2kaw s ILE 31 CO 0.00 0.38 -0.02 -0.31 0.24 0.00 0.00 174.94 175.22 2kaw s TYR 32 N 0.78 2.62 -0.30 1.37 1.51 0.11 -1.35 117.35 122.09 2kaw s TYR 32 Ca 0.09 -0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 55.61 2kaw s TYR 32 Cb -0.13 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2kaw s TYR 32 CO 0.02 0.61 0.99 0.42 -1.11 0.00 0.00 175.55 176.48 2kaw s ILE 33 N -2.38 4.61 0.00 2.71 -1.09 0.12 -0.65 121.20 124.53 2kaw s ILE 33 Ca 0.32 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 2kaw s ILE 33 Cb -0.05 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2kaw s ILE 33 CO 0.19 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.14 2kaw n GLY 34 N 3.88 1.41 3.43 6.18 0.00 0.12 -1.00 105.19 119.20 2kaw n GLY 34 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.12 3.64 -0.19 1.61 0.01 -1.26 -4.32 113.70 112.08 2kaw s SER 35 Ca 0.00 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 56.69 2kaw s SER 35 Cb 0.00 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 2kaw s SER 35 CO 0.00 0.27 0.23 -0.63 0.41 0.00 0.00 173.24 173.51 2kaw s ILE 36 N -0.87 5.34 -0.07 1.44 1.01 -1.26 -1.70 121.20 125.10 2kaw s ILE 36 Ca 0.13 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 61.00 2kaw s ILE 36 Cb -0.10 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2kaw s ILE 36 CO 0.04 0.39 0.48 -0.04 0.00 0.00 0.00 174.94 175.81 2kaw s MET 37 N 0.56 4.23 0.20 2.79 -1.94 0.55 -4.96 119.30 120.74 2kaw s MET 37 Ca 0.13 0.49 -0.31 0.00 -1.71 0.00 0.00 55.69 54.28 2kaw s MET 37 Cb -0.12 -3.36 -0.11 0.00 2.01 0.00 0.00 34.83 33.25 2kaw s MET 37 CO 0.02 0.33 1.58 0.21 -0.01 0.00 0.00 175.02 177.16 2kaw s LYS 38 N 0.03 4.20 0.00 2.03 2.47 -1.26 -2.05 119.74 125.15 2kaw s LYS 38 Ca 0.26 2.42 0.00 0.00 -1.56 0.00 0.00 55.97 57.09 2kaw s LYS 38 Cb -0.16 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2kaw s LYS 38 CO 0.12 -0.61 0.00 0.41 0.16 0.00 0.00 175.35 175.43 2kaw n GLY 39 N 3.44 0.13 3.88 5.54 0.00 -1.26 -5.07 105.19 111.86 2kaw n GLY 39 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 1.62 0.45 -0.02 0.00 -0.87 -4.82 107.32 101.69 2kaw s GLY 40 Ca 0.00 -0.29 0.12 0.00 0.00 0.00 0.00 44.72 44.54 2kaw s GLY 40 CO 0.00 -0.01 2.08 0.00 0.00 0.00 0.00 173.10 175.17 2kaw h ALA 41 N -0.32 1.87 -0.05 3.20 0.00 -0.37 -1.73 119.26 121.86 2kaw h ALA 41 Ca -0.45 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2kaw h ALA 41 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kaw h ALA 41 CO 0.62 0.10 -0.84 0.28 0.00 0.00 0.00 179.25 179.41 2kaw h VAL 42 N 0.33 1.36 0.00 0.00 2.07 -1.34 -2.95 116.25 115.72 2kaw h VAL 42 Ca 0.12 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.39 2kaw h VAL 42 Cb 0.07 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2kaw h VAL 42 CO -0.03 0.68 -0.06 0.00 0.02 0.00 0.00 177.57 178.18 2kaw h ALA 43 N 0.77 1.08 0.00 1.67 0.00 -1.48 -0.67 119.26 120.63 2kaw h ALA 43 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kaw h ALA 43 Cb 1.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2kaw h ALA 43 CO 0.15 0.08 -0.36 0.00 0.00 0.00 0.00 179.25 179.12 2kaw n ALA 44 N -2.16 3.19 -0.18 0.00 0.00 -0.88 -4.41 120.51 116.07 2kaw n ALA 44 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kaw n ALA 44 Cb 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.51 0.00 0.00 0.00 -0.08 -0.29 -5.03 116.55 109.64 2kaw n ASP 45 Ca 0.06 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2kaw n ASP 45 Cb 0.34 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.39 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 1.82 2.97 0.17 0.27 0.00 -0.98 -4.94 105.19 104.51 2kaw n GLY 46 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 1.78 0.23 -6.36 1.61 3.08 -1.96 -3.43 114.38 109.33 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 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2kaw h ARG 47 CO 0.00 0.72 0.11 0.42 -1.07 0.00 0.00 179.97 180.15 2kaw s ILE 48 N -3.86 4.59 0.10 2.04 1.01 -1.26 -5.07 121.20 118.75 2kaw s ILE 48 Ca -0.04 1.54 -0.00 0.00 0.00 0.00 0.00 60.65 62.15 2kaw s ILE 48 Cb 0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2kaw s ILE 48 CO 0.79 0.48 -0.00 -1.83 0.00 0.00 0.00 174.94 174.37 2kaw s GLU 49 N -0.75 0.80 -0.14 2.79 -1.05 -1.26 -5.00 118.70 114.08 2kaw s GLU 49 Ca 0.35 -1.34 -0.31 0.00 -0.15 0.00 0.00 54.97 53.52 2kaw s GLU 49 Cb -0.21 0.11 -0.08 0.00 -0.44 0.00 0.00 34.13 33.51 2kaw s GLU 49 CO 0.23 -0.15 2.09 -2.30 0.95 0.00 0.00 175.26 176.08 2kaw n PRO 50 N -0.02 2.12 0.00 -4.83 -0.02 -1.26 -1.88 135.00 129.11 2kaw n PRO 50 Ca -0.10 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2kaw n PRO 50 Cb 0.62 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 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 5.29 1.71 3.77 -1.23 0.00 -0.17 -5.02 105.19 109.54 2kaw n GLY 51 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.75 6.53 -0.15 1.61 1.01 -0.79 -4.69 116.67 118.44 2kaw s ASP 52 Ca 0.00 2.43 -0.08 0.00 0.71 0.00 0.00 52.55 55.60 2kaw s ASP 52 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2kaw s ASP 52 CO 0.00 -0.68 0.14 -0.32 0.21 0.00 0.00 175.17 174.53 2kaw s MET 53 N -2.21 3.72 -0.23 8.23 -2.45 -1.06 0.13 119.30 125.42 2kaw s MET 53 Ca 0.56 -0.15 -0.22 0.00 -1.25 0.00 0.00 55.69 54.62 2kaw s MET 53 Cb -0.33 -3.27 -0.01 0.00 1.25 0.00 0.00 34.83 32.46 2kaw s MET 53 CO 0.42 0.60 0.73 -0.51 1.05 0.00 0.00 175.02 177.31 2kaw s LEU 54 N -0.53 4.09 -0.23 4.11 1.43 -0.46 0.08 118.68 127.18 2kaw s LEU 54 Ca 0.13 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 53.99 2kaw s LEU 54 Cb -0.12 -3.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 2kaw s LEU 54 CO 0.02 -0.42 -0.32 0.18 0.23 0.00 0.00 176.35 176.04 2kaw n LEU 55 N 5.70 1.76 -3.98 1.79 4.77 -0.01 -4.62 117.00 122.42 2kaw n LEU 55 Ca 0.02 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 56.13 2kaw n LEU 55 Cb 0.48 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 2kaw n LEU 55 CO 0.45 0.33 -0.41 -1.58 -1.33 0.00 0.00 177.39 174.84 2kaw s GLN 56 N -2.53 0.56 -0.29 3.23 0.74 -1.19 -0.27 119.66 119.91 2kaw s GLN 56 Ca -0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 55.36 54.84 2kaw s GLN 56 Cb 0.11 -0.55 0.10 0.00 1.10 0.00 0.00 33.01 33.77 2kaw s GLN 56 CO 0.42 0.13 0.10 0.08 -0.55 0.00 0.00 175.29 175.47 2kaw s VAL 57 N -0.09 0.67 -0.74 1.34 1.01 -0.62 -0.38 120.40 121.60 2kaw s VAL 57 Ca 0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 2kaw s VAL 57 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2kaw s VAL 57 CO -0.00 -0.63 0.69 0.59 0.00 0.00 0.00 175.10 175.74 2kaw n ASN 58 N 4.94 -7.10 0.00 3.32 4.13 -0.81 -3.64 115.26 116.09 2kaw n ASN 58 Ca -0.04 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.03 2kaw n ASN 58 Cb 0.43 -4.94 0.00 0.00 -1.54 0.00 0.00 39.78 33.73 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 -2.01 0.00 -4.74 6.41 9.92 -1.26 -4.93 116.55 119.94 2kaw n ASP 59 Ca -0.01 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.83 2kaw n ASP 59 Cb 0.52 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.98 2kaw n ASP 59 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2kaw s VAL 60 N 0.00 3.06 -0.18 2.53 -7.23 -1.24 -5.00 120.40 112.34 2kaw s VAL 60 Ca 0.00 0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 60.95 2kaw s VAL 60 Cb 0.00 -3.58 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 2kaw s VAL 60 CO 0.00 0.16 0.27 0.21 -0.31 0.00 0.00 175.10 175.43 2kaw s ASN 61 N 0.14 6.38 0.00 4.85 2.47 -1.26 -1.58 114.94 125.94 2kaw s ASN 61 Ca 0.55 0.44 0.22 0.00 0.42 0.00 0.00 52.86 54.49 2kaw s ASN 61 Cb -0.38 -2.17 -0.05 0.00 -1.45 0.00 0.00 41.25 37.21 2kaw s ASN 61 CO 0.41 0.09 1.04 0.49 -3.72 0.00 0.00 177.10 175.41 2kaw n PHE 62 N 3.73 0.00 -0.24 0.43 3.72 0.63 -4.35 117.46 121.38 2kaw n PHE 62 Ca -0.12 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.28 2kaw n PHE 62 Cb 0.52 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.29 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 1.99 1.02 -0.95 -1.08 5.08 -1.82 -2.28 114.58 116.54 2kaw h GLU 63 Ca 0.00 -0.06 -0.61 0.00 -1.00 0.00 0.00 59.36 57.69 2kaw h GLU 63 Cb 0.70 -0.23 -0.30 0.00 0.50 0.00 0.00 28.75 29.42 2kaw h GLU 63 CO 0.00 0.67 0.63 0.09 -1.00 0.00 0.00 179.01 179.40 2kaw n ASN 64 N -4.42 6.44 -3.98 1.42 3.02 -1.26 -4.93 115.26 111.54 2kaw n ASN 64 Ca 0.09 -3.75 -0.09 0.00 -0.03 0.00 0.00 54.58 50.79 2kaw n ASN 64 Cb 0.04 -0.87 -0.11 0.00 -0.61 0.00 0.00 39.78 38.23 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 -3.68 0.31 0.73 3.52 -1.94 -0.86 -5.14 119.30 112.24 2kaw s MET 65 Ca 0.61 -0.60 -0.15 0.00 -1.71 0.00 0.00 55.69 53.84 2kaw s MET 65 Cb 0.49 0.09 0.04 0.00 2.01 0.00 0.00 34.83 37.45 2kaw s MET 65 CO 0.02 -0.04 1.20 -1.12 -0.01 0.00 0.00 175.02 175.06 2kaw s SER 66 N -1.42 4.25 0.19 3.03 0.01 -1.26 -4.72 113.70 113.77 2kaw s SER 66 Ca -0.15 2.33 -0.12 0.00 1.31 0.00 0.00 55.95 59.31 2kaw s SER 66 Cb -0.10 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.73 2kaw s SER 66 CO -0.01 -2.23 1.76 0.78 0.41 0.00 0.00 173.24 173.95 2kaw h ASN 67 N -0.29 0.23 -0.34 2.44 2.35 -1.92 0.36 115.58 118.40 2kaw h ASN 67 Ca -0.47 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 2kaw h ASN 67 Cb 1.29 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2kaw h ASN 67 CO 0.50 0.16 0.08 0.44 -1.65 0.00 0.00 177.43 176.96 2kaw h ASP 68 N 0.40 0.51 -0.84 5.81 3.32 -1.98 -2.27 116.42 121.37 2kaw h ASP 68 Ca 0.24 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2kaw h ASP 68 Cb 0.24 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2kaw h ASP 68 CO -0.23 0.61 0.40 0.44 -1.72 0.00 0.00 179.24 178.74 2kaw h ASP 69 N 0.39 1.11 -0.49 6.45 3.32 -1.76 0.71 116.42 126.15 2kaw h ASP 69 Ca 0.11 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2kaw h ASP 69 Cb 0.29 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2kaw h ASP 69 CO 0.00 0.94 0.30 0.00 -1.72 0.00 0.00 179.24 178.75 2kaw h ALA 70 N 1.22 0.63 -0.39 3.45 0.00 -0.11 -1.26 119.26 122.79 2kaw h ALA 70 Ca 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2kaw h ALA 70 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2kaw h ALA 70 CO -0.04 -0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.49 2kaw h VAL 71 N 0.59 1.26 -0.16 0.00 2.07 -0.92 -1.37 116.25 117.73 2kaw h VAL 71 Ca 0.20 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2kaw h VAL 71 Cb 0.01 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 2kaw h VAL 71 CO -0.09 0.34 -0.30 0.03 0.02 0.00 0.00 177.57 177.57 2kaw h ARG 72 N 0.52 -0.35 -0.47 1.57 3.08 -0.35 0.21 114.38 118.59 2kaw h ARG 72 Ca 0.11 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2kaw h ARG 72 Cb 0.48 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2kaw h ARG 72 CO 0.02 -0.23 -0.03 0.28 -1.07 0.00 0.00 179.97 178.94 2kaw h VAL 73 N -0.36 1.25 -0.54 2.04 2.07 -1.23 -2.83 116.25 116.64 2kaw h VAL 73 Ca 0.11 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2kaw h VAL 73 Cb 0.53 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2kaw h VAL 73 CO -0.36 0.37 0.36 0.25 0.02 0.00 0.00 177.57 178.20 2kaw h LEU 74 N 0.74 0.62 -1.02 2.57 5.85 -0.18 -2.29 115.31 121.60 2kaw h LEU 74 Ca 0.14 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2kaw h LEU 74 Cb 0.49 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2kaw h LEU 74 CO 0.02 0.45 0.65 0.03 -0.34 0.00 0.00 178.44 179.26 2kaw h ARG 75 N 0.73 1.18 -0.76 1.25 3.08 -0.40 0.26 114.38 119.73 2kaw h ARG 75 Ca 0.20 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2kaw h ARG 75 Cb -0.08 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.67 2kaw h ARG 75 CO -0.04 0.78 0.29 0.93 -1.07 0.00 0.00 179.97 180.86 2kaw h GLU 76 N 1.22 1.15 -0.07 0.04 4.39 -1.26 -0.78 114.58 119.27 2kaw h GLU 76 Ca 0.41 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 2kaw h GLU 76 Cb 0.08 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2kaw h GLU 76 CO -0.15 0.95 -0.31 0.82 -1.16 0.00 0.00 179.01 179.16 2kaw h ILE 77 N 1.11 1.42 0.00 3.13 2.04 -0.78 -2.81 117.51 121.62 2kaw h ILE 77 Ca 0.25 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 2kaw h ILE 77 Cb 0.24 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2kaw h ILE 77 CO -0.02 0.49 -0.06 0.58 0.00 0.00 0.00 178.15 179.14 2kaw h VAL 78 N -0.16 0.94 -0.02 1.67 2.07 -0.42 -0.43 116.25 119.91 2kaw h VAL 78 Ca -0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2kaw h VAL 78 Cb 0.96 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2kaw h VAL 78 CO 0.06 0.06 -0.04 -1.20 0.02 0.00 0.00 177.57 176.47 2kaw n SER 79 N -4.32 1.69 -4.95 0.57 7.64 -0.31 -4.90 113.62 109.04 2kaw n SER 79 Ca -0.03 -1.50 -0.25 0.00 1.01 0.00 0.00 58.87 58.10 2kaw n SER 79 Cb 0.14 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.07 3.44 0.09 1.43 2.00 -0.17 -5.06 119.66 119.32 2kaw s GLN 80 Ca 0.34 -0.62 -0.25 0.00 -2.00 0.00 0.00 55.36 52.83 2kaw s GLN 80 Cb 0.21 -2.94 -0.06 0.00 0.80 0.00 0.00 33.01 31.02 2kaw s GLN 80 CO 0.36 0.49 0.76 0.99 -0.50 0.00 0.00 175.29 177.38 2kaw s THR 81 N -1.82 4.59 0.00 -0.34 2.01 -1.26 -4.97 115.64 113.85 2kaw s THR 81 Ca 0.35 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.98 2kaw s THR 81 Cb -0.10 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2kaw s THR 81 CO 0.29 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.26 2kaw n GLY 82 N 2.04 4.22 3.77 4.40 0.00 -1.26 -5.09 105.19 113.27 2kaw n GLY 82 Ca -0.04 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.11 4.19 -0.15 1.61 0.04 -1.26 -4.74 135.00 131.59 2kaw s PRO 83 Ca 0.00 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.50 2kaw s PRO 83 Cb 0.00 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 2kaw s PRO 83 CO 0.00 -0.44 -0.17 0.42 0.04 0.00 0.00 177.00 176.85 2kaw s ILE 84 N -0.88 2.55 -0.18 0.56 1.01 -1.22 -5.01 121.20 118.03 2kaw s ILE 84 Ca 0.54 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2kaw s ILE 84 Cb -0.44 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2kaw s ILE 84 CO 0.57 0.52 -0.01 -0.44 0.00 0.00 0.00 174.94 175.58 2kaw s SER 85 N 0.75 4.84 -0.21 3.58 0.01 -1.26 -1.48 113.70 119.93 2kaw s SER 85 Ca -0.07 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 56.99 2kaw s SER 85 Cb -0.16 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 2kaw s SER 85 CO 0.01 0.11 -0.04 -0.76 0.41 0.00 0.00 173.24 172.97 2kaw s LEU 86 N 0.71 2.93 -0.57 2.44 1.43 0.87 -1.92 118.68 124.57 2kaw s LEU 86 Ca -0.01 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 2kaw s LEU 86 Cb -0.14 -1.74 0.11 0.00 0.03 0.00 0.00 46.19 44.44 2kaw s LEU 86 CO 0.02 0.00 0.65 -0.89 0.23 0.00 0.00 176.35 176.36 2kaw s THR 87 N 1.33 4.92 -0.00 5.49 2.01 0.49 -0.46 115.64 129.42 2kaw s THR 87 Ca 0.04 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 2kaw s THR 87 Cb -0.14 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2kaw s THR 87 CO -0.02 -1.04 0.12 0.68 -0.69 0.00 0.00 174.62 173.67 2kaw s VAL 88 N 2.41 4.98 -0.41 3.82 -7.23 -0.27 -0.83 120.40 122.86 2kaw s VAL 88 Ca 0.09 -0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 2kaw s VAL 88 Cb -0.25 -3.30 0.07 0.00 0.56 0.00 0.00 36.38 33.46 2kaw s VAL 88 CO 0.06 0.33 0.25 0.00 -0.31 0.00 0.00 175.10 175.43 2kaw s ALA 89 N -1.25 3.30 -2.51 1.32 0.00 0.11 -0.57 121.76 122.17 2kaw s ALA 89 Ca 0.25 -2.06 0.28 0.00 0.00 0.00 0.00 51.96 50.43 2kaw s ALA 89 Cb -0.12 -2.66 1.04 0.00 0.00 0.00 0.00 23.12 21.38 2kaw s ALA 89 CO 0.16 -1.60 1.74 1.63 0.00 0.00 0.00 175.76 177.69