#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 5.21 -0.11 -1.44 1.01 -1.26 -0.16 121.20 124.45 2kaw s ILE 2 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2kaw s ILE 2 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2kaw s ILE 2 CO 0.00 0.22 -0.23 -0.63 0.00 0.00 0.00 174.94 174.30 2kaw s ILE 3 N 1.61 2.05 -0.21 2.92 1.01 0.50 -4.98 121.20 124.09 2kaw s ILE 3 Ca 0.15 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 2kaw s ILE 3 Cb -0.15 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2kaw s ILE 3 CO 0.08 0.55 0.02 -0.89 0.00 0.00 0.00 174.94 174.71 2kaw s THR 4 N 0.51 4.13 0.05 2.92 2.01 -1.26 -0.83 115.64 123.17 2kaw s THR 4 Ca -0.15 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 61.69 2kaw s THR 4 Cb -0.17 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2kaw s THR 4 CO 0.05 0.41 -0.24 0.68 -0.69 0.00 0.00 174.62 174.83 2kaw s VAL 5 N 1.08 2.37 -0.29 3.82 -7.23 0.39 -4.96 120.40 115.59 2kaw s VAL 5 Ca 0.03 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 2kaw s VAL 5 Cb -0.14 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2kaw s VAL 5 CO 0.02 0.32 0.07 0.28 -0.31 0.00 0.00 175.10 175.49 2kaw s THR 6 N -0.88 3.98 -0.00 5.32 -1.32 -1.26 -0.76 115.64 120.72 2kaw s THR 6 Ca 0.13 -0.61 -0.04 0.00 -1.21 0.00 0.00 61.69 59.96 2kaw s THR 6 Cb -0.10 -3.02 -0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2kaw s THR 6 CO 0.04 0.13 0.21 -0.76 -2.21 0.00 0.00 174.62 172.03 2kaw s LEU 7 N 1.51 4.37 -0.28 9.08 1.43 0.70 -5.00 118.68 130.49 2kaw s LEU 7 Ca 0.03 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.41 2kaw s LEU 7 Cb -0.17 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2kaw s LEU 7 CO 0.02 0.26 0.33 0.21 0.23 0.00 0.00 176.35 177.41 2kaw s ASN 8 N -1.85 6.20 -0.09 2.29 3.84 -1.26 -3.13 114.94 120.94 2kaw s ASN 8 Ca 0.27 0.19 0.20 0.00 0.21 0.00 0.00 52.86 53.73 2kaw s ASN 8 Cb -0.13 -2.19 0.72 0.00 -0.55 0.00 0.00 41.25 39.10 2kaw s ASN 8 CO 0.18 -0.17 1.62 0.23 -2.79 0.00 0.00 177.10 176.17 2kaw n MET 9 N 5.28 3.52 -0.08 0.43 2.81 -1.26 -3.39 117.12 124.43 2kaw n MET 9 Ca -0.10 -2.86 -0.15 0.00 -1.81 0.00 0.00 57.70 52.78 2kaw n MET 9 Cb 0.51 -1.83 -0.11 0.00 -0.71 0.00 0.00 33.22 31.08 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 4.23 0.00 0.01 0.03 4.39 -1.92 -3.38 114.58 117.94 2kaw h GLU 10 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2kaw h GLU 10 Cb 1.36 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.97 2kaw h GLU 10 CO 0.18 0.88 -1.44 -0.09 -1.16 0.00 0.00 179.01 177.38 2kaw h ARG 11 N -1.00 0.02 -5.94 2.33 2.43 -2.02 -3.46 114.38 106.74 2kaw h ARG 11 Ca -0.12 -0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.40 2kaw h ARG 11 Cb 1.01 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 2kaw h ARG 11 CO -0.07 0.72 -0.37 -1.01 -1.51 0.00 0.00 179.97 177.73 2kaw s HIS 12 N -2.64 3.58 -0.37 2.20 3.76 -1.22 -4.99 115.29 115.61 2kaw s HIS 12 Ca -0.03 0.60 0.12 0.00 -0.15 0.00 0.00 55.06 55.60 2kaw s HIS 12 Cb 0.09 -2.01 -0.15 0.00 1.11 0.00 0.00 32.58 31.61 2kaw s HIS 12 CO 0.82 0.60 0.43 0.72 -0.85 0.00 0.00 174.74 176.46 2kaw n HIS 13 N 1.05 0.00 -3.92 1.40 8.25 -1.26 -4.48 115.22 116.27 2kaw n HIS 13 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 2kaw n HIS 13 Cb 0.53 -0.10 -0.07 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.40 0.29 -0.00 4.41 -0.71 -1.26 -5.07 117.98 113.23 2kaw s PHE 14 Ca 0.01 -0.70 -0.06 0.00 -1.04 0.00 0.00 56.93 55.15 2kaw s PHE 14 Cb 0.09 -0.09 -0.29 0.00 -1.21 0.00 0.00 43.02 41.51 2kaw s PHE 14 CO 0.50 -0.60 0.84 -0.07 -1.34 0.00 0.00 175.22 174.56 2kaw h LEU 15 N 2.70 0.48 -2.26 -1.99 3.38 -1.94 0.52 115.31 116.20 2kaw h LEU 15 Ca -0.33 -0.65 -0.08 0.00 0.09 0.00 0.00 57.88 56.90 2kaw h LEU 15 Cb 1.21 -0.16 0.05 0.00 0.09 0.00 0.00 40.66 41.85 2kaw h LEU 15 CO 0.54 1.54 -0.22 0.61 0.09 0.00 0.00 178.44 181.00 2kaw n GLY 16 N 1.71 0.26 3.09 0.83 0.00 -1.26 -1.25 105.19 108.57 2kaw n GLY 16 Ca -0.18 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.10 -0.90 0.06 -0.61 -4.36 -1.26 0.00 121.20 111.03 2kaw s ILE 17 Ca 0.05 -0.03 -0.30 0.00 -0.26 0.00 0.00 60.65 60.10 2kaw s ILE 17 Cb -0.01 -0.96 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 2kaw s ILE 17 CO 0.20 -0.04 1.15 -0.94 0.24 0.00 0.00 174.94 175.55 2kaw s SER 18 N 2.78 7.15 -0.03 4.36 1.04 -0.53 -4.90 113.70 123.57 2kaw s SER 18 Ca 0.17 1.95 -0.26 0.00 0.48 0.00 0.00 55.95 58.29 2kaw s SER 18 Cb -0.14 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 2kaw s SER 18 CO -0.21 -0.41 0.82 -0.63 0.98 0.00 0.00 173.24 173.78 2kaw s ILE 19 N 0.97 4.96 -0.22 -1.02 -1.09 -1.26 0.17 121.20 123.72 2kaw s ILE 19 Ca 0.57 1.70 0.02 0.00 -2.23 0.00 0.00 60.65 60.71 2kaw s ILE 19 Cb -0.28 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.49 2kaw s ILE 19 CO 0.29 0.22 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.40 2kaw s VAL 20 N 0.84 1.94 -0.01 2.92 1.01 0.60 -4.84 120.40 122.86 2kaw s VAL 20 Ca 0.43 -1.21 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2kaw s VAL 20 Cb -0.19 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2kaw s VAL 20 CO 0.22 0.20 0.69 -0.83 0.00 0.00 0.00 175.10 175.38 2kaw s GLY 21 N 1.26 2.67 -0.33 4.51 0.00 -1.26 0.20 107.32 114.37 2kaw s GLY 21 Ca -0.02 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 2kaw s GLY 21 CO -0.08 1.02 0.85 1.62 0.00 0.00 0.00 173.10 176.51 2kaw s GLN 22 N 0.24 3.92 0.36 2.90 0.74 0.78 -4.97 119.66 123.63 2kaw s GLN 22 Ca 0.36 0.60 0.05 0.00 0.05 0.00 0.00 55.36 56.42 2kaw s GLN 22 Cb -0.19 -3.76 -0.01 0.00 1.10 0.00 0.00 33.01 30.16 2kaw s GLN 22 CO 0.19 -0.78 0.51 -1.12 -0.55 0.00 0.00 175.29 173.54 2kaw s SER 23 N 1.70 5.96 0.04 6.67 0.01 -1.26 -3.13 113.70 123.70 2kaw s SER 23 Ca 0.35 -0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.43 2kaw s SER 23 Cb -0.13 -1.36 0.05 0.00 0.21 0.00 0.00 66.02 64.79 2kaw s SER 23 CO 0.15 -0.47 0.62 -3.20 0.41 0.00 0.00 173.24 170.74 2kaw n ASN 24 N -1.74 -0.77 0.26 2.44 2.85 -1.26 -4.93 115.26 112.11 2kaw n ASN 24 Ca -0.00 -1.30 0.13 0.00 -0.11 0.00 0.00 54.58 53.29 2kaw n ASN 24 Cb 0.58 1.23 0.68 0.00 1.24 0.00 0.00 39.78 43.51 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 1.05 0.00 0.00 1.20 3.32 -2.04 -3.32 116.42 116.63 2kaw h ASP 25 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2kaw h ASP 25 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2kaw h ASP 25 CO 0.18 0.13 0.00 0.54 -1.72 0.00 0.00 179.24 178.37 2kaw n ARG 26 N -3.53 0.00 0.00 3.56 5.12 -1.26 -5.05 116.66 115.50 2kaw n ARG 26 Ca -0.01 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2kaw n ARG 26 Cb 0.28 -0.54 0.00 0.00 -1.16 0.00 0.00 32.46 31.04 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 2.30 1.87 2.11 -0.13 0.00 -1.25 -5.01 105.19 105.08 2kaw n GLY 27 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 6.39 0.08 1.61 5.75 -1.26 -4.42 116.55 124.71 2kaw n ASP 28 Ca 0.00 -2.53 -0.11 0.00 -0.01 0.00 0.00 54.79 52.14 2kaw n ASP 28 Cb 0.00 -1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 38.57 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 5.60 0.26 0.00 6.12 0.00 -1.90 -3.50 103.07 109.64 2kaw h GLY 29 Ca 0.41 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2kaw h GLY 29 CO 0.74 0.47 0.00 0.61 0.00 0.00 0.00 176.54 178.36 2kaw n GLY 30 N 1.11 0.15 3.45 4.60 0.00 -1.25 -4.63 105.19 108.62 2kaw n GLY 30 Ca -0.05 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.55 3.45 0.35 -0.61 -4.36 -1.26 -0.16 121.20 117.06 2kaw s ILE 31 Ca 0.00 -0.53 0.09 0.00 -0.26 0.00 0.00 60.65 59.95 2kaw s ILE 31 Cb 0.00 -2.47 -0.06 0.00 1.25 0.00 0.00 42.46 41.18 2kaw s ILE 31 CO 0.00 0.52 -0.02 -0.31 0.24 0.00 0.00 174.94 175.38 2kaw s TYR 32 N 0.20 2.50 -0.27 1.37 1.51 0.13 -1.08 117.35 121.70 2kaw s TYR 32 Ca -0.05 -0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 55.26 2kaw s TYR 32 Cb -0.15 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 2kaw s TYR 32 CO 0.04 0.50 0.86 0.42 -1.11 0.00 0.00 175.55 176.25 2kaw s ILE 33 N -2.58 4.77 0.00 2.71 -1.09 0.44 -0.29 121.20 125.17 2kaw s ILE 33 Ca 0.34 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 2kaw s ILE 33 Cb 0.02 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2kaw s ILE 33 CO 0.18 -0.18 0.02 0.61 -1.23 0.00 0.00 174.94 174.34 2kaw n GLY 34 N 3.88 0.95 3.08 6.18 0.00 0.13 -1.03 105.19 118.38 2kaw n GLY 34 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.62 1.30 0.06 1.61 0.01 -1.25 -4.48 113.70 109.33 2kaw s SER 35 Ca 0.00 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.76 2kaw s SER 35 Cb 0.00 -0.09 -0.06 0.00 0.21 0.00 0.00 66.02 66.07 2kaw s SER 35 CO 0.00 0.04 0.49 -0.63 0.41 0.00 0.00 173.24 173.54 2kaw s ILE 36 N -0.64 4.91 -0.23 1.44 1.01 -1.26 -1.45 121.20 124.98 2kaw s ILE 36 Ca 0.01 0.91 -0.07 0.00 0.00 0.00 0.00 60.65 61.51 2kaw s ILE 36 Cb -0.06 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2kaw s ILE 36 CO 0.00 0.47 0.05 -0.04 0.00 0.00 0.00 174.94 175.42 2kaw s MET 37 N -1.37 3.67 0.05 2.79 -1.94 0.10 -4.93 119.30 117.67 2kaw s MET 37 Ca 0.29 -0.48 -0.30 0.00 -1.71 0.00 0.00 55.69 53.49 2kaw s MET 37 Cb -0.17 -3.23 -0.09 0.00 2.01 0.00 0.00 34.83 33.34 2kaw s MET 37 CO 0.17 -0.08 1.95 1.17 -0.01 0.00 0.00 175.02 178.22 2kaw n LYS 38 N 4.56 2.83 0.00 2.03 3.00 -1.26 -1.77 118.16 127.55 2kaw n LYS 38 Ca -0.17 1.04 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 2kaw n LYS 38 Cb 0.52 -2.98 0.00 0.00 0.00 0.00 0.00 35.03 32.57 2kaw n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kaw n GLY 39 N 4.49 0.82 3.90 3.14 0.00 -1.26 -5.10 105.19 111.18 2kaw n GLY 39 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.48 1.62 0.32 -0.02 0.00 -0.73 -4.85 107.32 102.18 2kaw s GLY 40 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 44.72 44.15 2kaw s GLY 40 CO 0.00 -0.20 1.98 0.00 0.00 0.00 0.00 173.10 174.89 2kaw h ALA 41 N -0.59 1.47 -0.12 3.20 0.00 -0.01 -2.17 119.26 121.04 2kaw h ALA 41 Ca -0.45 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 2kaw h ALA 41 Cb 1.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kaw h ALA 41 CO 0.63 0.49 -0.62 0.28 0.00 0.00 0.00 179.25 180.02 2kaw h VAL 42 N 1.01 1.36 0.00 0.00 2.07 -1.45 -2.92 116.25 116.33 2kaw h VAL 42 Ca 0.28 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 2kaw h VAL 42 Cb -0.11 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2kaw h VAL 42 CO -0.06 0.59 -0.06 0.00 0.02 0.00 0.00 177.57 178.06 2kaw h ALA 43 N 1.02 1.26 0.00 1.67 0.00 -1.54 -0.84 119.26 120.82 2kaw h ALA 43 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2kaw h ALA 43 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kaw h ALA 43 CO 0.11 0.08 -0.36 0.00 0.00 0.00 0.00 179.25 179.08 2kaw h ALA 44 N 1.94 0.79 0.00 0.00 0.00 -1.30 -3.37 119.26 117.32 2kaw h ALA 44 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kaw h ALA 44 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kaw h ALA 44 CO 0.01 0.38 -0.03 0.22 0.00 0.00 0.00 179.25 179.83 2kaw h ASP 45 N 0.00 0.00 0.00 0.00 1.82 -1.19 -3.49 116.42 113.57 2kaw h ASP 45 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2kaw h ASP 45 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 2kaw h ASP 45 CO 0.04 0.23 0.00 0.61 -1.61 0.00 0.00 179.24 178.51 2kaw n GLY 46 N 1.87 2.65 0.22 -0.78 0.00 -0.97 -4.92 105.19 103.28 2kaw n GLY 46 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 2.93 0.00 -5.62 1.61 3.08 -1.95 -3.43 114.38 111.01 2kaw h ARG 47 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2kaw h ARG 47 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 2kaw h ARG 47 CO 0.00 0.12 -0.32 0.42 -1.07 0.00 0.00 179.97 179.12 2kaw s ILE 48 N -3.35 5.28 0.14 2.04 1.01 -1.26 -5.08 121.20 119.97 2kaw s ILE 48 Ca 0.04 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 2kaw s ILE 48 Cb 0.07 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2kaw s ILE 48 CO 0.65 0.46 0.14 -1.83 0.00 0.00 0.00 174.94 174.35 2kaw s GLU 49 N -0.04 1.01 0.04 2.79 -1.05 -1.26 -4.96 118.70 115.21 2kaw s GLU 49 Ca 0.18 -1.34 -0.35 0.00 -0.15 0.00 0.00 54.97 53.31 2kaw s GLU 49 Cb -0.14 0.29 -0.14 0.00 -0.44 0.00 0.00 34.13 33.71 2kaw s GLU 49 CO 0.06 -0.32 1.63 -2.30 0.95 0.00 0.00 175.26 175.28 2kaw n PRO 50 N -0.14 1.88 0.00 -4.83 -0.02 -1.26 -1.98 135.00 128.65 2kaw n PRO 50 Ca -0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2kaw n PRO 50 Cb 0.63 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.59 2.55 3.75 -1.23 0.00 -0.20 -4.98 105.19 108.68 2kaw n GLY 51 Ca 0.20 0.00 -0.41 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 -1.66 6.84 -0.18 1.61 1.01 -0.84 -4.69 116.67 118.77 2kaw s ASP 52 Ca 0.00 2.54 -0.12 0.00 0.71 0.00 0.00 52.55 55.68 2kaw s ASP 52 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2kaw s ASP 52 CO 0.00 -0.53 0.22 -0.32 0.21 0.00 0.00 175.17 174.74 2kaw s MET 53 N -0.82 4.20 -0.50 8.23 -2.45 -1.07 -0.42 119.30 126.48 2kaw s MET 53 Ca 0.54 -0.05 -0.27 0.00 -1.25 0.00 0.00 55.69 54.66 2kaw s MET 53 Cb -0.38 -3.42 0.03 0.00 1.25 0.00 0.00 34.83 32.31 2kaw s MET 53 CO 0.44 0.28 1.05 -0.51 1.05 0.00 0.00 175.02 177.33 2kaw s LEU 54 N 0.37 3.79 -0.22 4.11 1.43 -0.24 -0.73 118.68 127.18 2kaw s LEU 54 Ca 0.13 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2kaw s LEU 54 Cb -0.12 -3.26 -0.14 0.00 0.03 0.00 0.00 46.19 42.70 2kaw s LEU 54 CO 0.01 -1.23 -0.07 0.18 0.23 0.00 0.00 176.35 175.47 2kaw n LEU 55 N 7.68 1.89 -4.04 1.79 4.77 -0.34 -4.59 117.00 124.17 2kaw n LEU 55 Ca 0.08 0.41 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 2kaw n LEU 55 Cb 0.49 -0.89 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 2kaw n LEU 55 CO 0.68 0.26 -0.45 -1.58 -1.33 0.00 0.00 177.39 174.97 2kaw s GLN 56 N -2.44 0.94 -0.20 3.23 0.74 -1.07 -0.18 119.66 120.67 2kaw s GLN 56 Ca -0.31 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 54.70 2kaw s GLN 56 Cb 0.08 -0.89 0.06 0.00 1.10 0.00 0.00 33.01 33.36 2kaw s GLN 56 CO 0.50 0.20 0.04 0.08 -0.55 0.00 0.00 175.29 175.57 2kaw s VAL 57 N -0.13 0.49 -1.14 1.34 1.01 0.06 0.00 120.40 122.03 2kaw s VAL 57 Ca 0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2kaw s VAL 57 Cb -0.06 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2kaw s VAL 57 CO -0.00 -0.24 0.84 0.59 0.00 0.00 0.00 175.10 176.29 2kaw n ASN 58 N 5.06 -4.64 0.00 3.32 4.13 -0.65 -2.31 115.26 120.16 2kaw n ASN 58 Ca -0.09 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.36 2kaw n ASN 58 Cb 0.47 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.28 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 -3.02 0.00 -4.79 6.41 8.00 -1.26 -4.97 116.55 116.91 2kaw n ASP 59 Ca -0.15 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.97 2kaw n ASP 59 Cb 0.63 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.54 4.77 -0.18 2.53 -7.23 -0.98 -5.06 120.40 112.71 2kaw s VAL 60 Ca 0.00 1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 61.35 2kaw s VAL 60 Cb 0.00 -3.93 -0.05 0.00 0.56 0.00 0.00 36.38 32.96 2kaw s VAL 60 CO 0.00 0.50 0.13 0.21 -0.31 0.00 0.00 175.10 175.62 2kaw s ASN 61 N -0.75 6.20 0.00 4.85 2.47 -1.26 -0.76 114.94 125.69 2kaw s ASN 61 Ca 0.30 0.27 0.16 0.00 0.42 0.00 0.00 52.86 54.02 2kaw s ASN 61 Cb -0.19 -2.07 0.02 0.00 -1.45 0.00 0.00 41.25 37.55 2kaw s ASN 61 CO 0.19 0.23 0.89 0.49 -3.72 0.00 0.00 177.10 175.18 2kaw n PHE 62 N 3.19 0.00 0.29 0.43 3.72 0.74 -4.41 117.46 121.42 2kaw n PHE 62 Ca -0.17 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.39 2kaw n PHE 62 Cb 0.53 0.00 0.74 0.00 -0.94 0.00 0.00 39.48 39.81 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 2.03 0.00 -0.09 -1.08 5.08 -1.86 -1.75 114.58 116.92 2kaw h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kaw h GLU 63 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2kaw h GLU 63 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 2kaw n ASN 64 N -2.64 2.78 -4.37 1.42 3.02 -1.26 -5.02 115.26 109.19 2kaw n ASN 64 Ca -0.00 -2.95 -0.23 0.00 -0.03 0.00 0.00 54.58 51.37 2kaw n ASN 64 Cb 0.16 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.65 1.38 0.74 3.52 -1.94 -0.66 -5.13 119.30 114.56 2kaw s MET 65 Ca 0.32 -1.49 -0.12 0.00 -1.71 0.00 0.00 55.69 52.69 2kaw s MET 65 Cb 0.27 -1.49 0.04 0.00 2.01 0.00 0.00 34.83 35.66 2kaw s MET 65 CO 0.05 0.30 1.11 -1.12 -0.01 0.00 0.00 175.02 175.35 2kaw s SER 66 N -2.81 4.60 0.18 3.03 0.01 -1.26 -4.78 113.70 112.67 2kaw s SER 66 Ca 0.19 1.94 -0.13 0.00 1.31 0.00 0.00 55.95 59.27 2kaw s SER 66 Cb -0.06 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.79 2kaw s SER 66 CO 0.08 -1.98 1.77 0.78 0.41 0.00 0.00 173.24 174.31 2kaw h ASN 67 N -0.71 0.31 -0.42 2.44 2.35 -1.91 0.14 115.58 117.78 2kaw h ASN 67 Ca -0.45 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.30 2kaw h ASN 67 Cb 1.24 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 2kaw h ASN 67 CO 0.52 0.21 0.11 0.44 -1.65 0.00 0.00 177.43 177.06 2kaw h ASP 68 N 0.46 0.63 -0.83 5.81 3.32 -1.97 -2.76 116.42 121.07 2kaw h ASP 68 Ca 0.23 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2kaw h ASP 68 Cb 0.19 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2kaw h ASP 68 CO -0.19 0.69 0.40 0.44 -1.72 0.00 0.00 179.24 178.86 2kaw h ASP 69 N 0.54 1.09 -0.52 6.45 3.32 -1.77 -1.33 116.42 124.19 2kaw h ASP 69 Ca 0.13 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2kaw h ASP 69 Cb 0.30 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2kaw h ASP 69 CO -0.00 0.92 0.31 0.00 -1.72 0.00 0.00 179.24 178.74 2kaw h ALA 70 N 1.21 0.67 -0.55 3.45 0.00 -0.60 -1.57 119.26 121.88 2kaw h ALA 70 Ca 0.29 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2kaw h ALA 70 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kaw h ALA 70 CO -0.04 0.00 0.04 0.28 0.00 0.00 0.00 179.25 179.53 2kaw h VAL 71 N 0.60 1.26 -0.23 0.00 2.07 -1.18 -1.19 116.25 117.58 2kaw h VAL 71 Ca 0.21 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2kaw h VAL 71 Cb 0.04 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2kaw h VAL 71 CO -0.11 0.38 -0.02 0.03 0.02 0.00 0.00 177.57 177.87 2kaw h ARG 72 N 0.83 0.04 -0.43 1.57 3.08 -0.72 0.81 114.38 119.56 2kaw h ARG 72 Ca 0.16 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 2kaw h ARG 72 Cb 0.49 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2kaw h ARG 72 CO 0.02 0.03 -0.12 0.28 -1.07 0.00 0.00 179.97 179.11 2kaw h VAL 73 N 0.05 1.27 -0.69 2.04 2.07 -1.22 -3.01 116.25 116.76 2kaw h VAL 73 Ca 0.11 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.45 2kaw h VAL 73 Cb 0.15 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2kaw h VAL 73 CO -0.21 0.42 0.40 0.25 0.02 0.00 0.00 177.57 178.45 2kaw h LEU 74 N 0.66 0.62 -1.43 2.57 5.85 -0.79 -1.67 115.31 121.13 2kaw h LEU 74 Ca 0.11 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2kaw h LEU 74 Cb 0.66 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2kaw h LEU 74 CO 0.04 0.41 0.44 0.03 -0.34 0.00 0.00 178.44 179.03 2kaw h ARG 75 N 0.76 0.69 -0.48 1.25 3.08 -0.72 0.17 114.38 119.12 2kaw h ARG 75 Ca 0.30 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 2kaw h ARG 75 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2kaw h ARG 75 CO -0.16 0.46 -0.05 0.93 -1.07 0.00 0.00 179.97 180.08 2kaw h GLU 76 N 0.71 0.83 0.07 0.04 4.39 -1.21 -0.39 114.58 119.01 2kaw h GLU 76 Ca 0.29 -0.25 -0.26 0.00 0.34 0.00 0.00 59.36 59.48 2kaw h GLU 76 Cb 0.23 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2kaw h GLU 76 CO -0.09 0.86 -1.04 0.82 -1.16 0.00 0.00 179.01 178.40 2kaw h ILE 77 N 0.76 1.32 -0.13 3.13 2.04 -1.01 -3.12 117.51 120.50 2kaw h ILE 77 Ca 0.14 -2.33 -0.06 0.00 1.00 0.00 0.00 64.86 63.61 2kaw h ILE 77 Cb 0.53 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2kaw h ILE 77 CO 0.03 0.70 -0.19 0.58 0.00 0.00 0.00 178.15 179.27 2kaw h VAL 78 N 0.20 1.20 -0.70 1.67 2.07 -0.61 -2.19 116.25 117.89 2kaw h VAL 78 Ca -0.15 -0.92 -0.25 0.00 0.82 0.00 0.00 66.70 66.20 2kaw h VAL 78 Cb 1.73 1.32 -0.15 0.00 -1.52 0.00 0.00 31.29 32.66 2kaw h VAL 78 CO 0.20 0.28 0.32 -1.20 0.02 0.00 0.00 177.57 177.19 2kaw n SER 79 N -4.23 4.28 -4.30 0.57 7.64 -0.17 -4.90 113.62 112.51 2kaw n SER 79 Ca -0.01 -3.14 -0.24 0.00 1.01 0.00 0.00 58.87 56.50 2kaw n SER 79 Cb 0.31 -0.74 -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 -2.71 1.18 -0.28 1.43 2.00 -0.82 -5.00 119.66 115.45 2kaw s GLN 80 Ca 0.48 -1.24 -0.22 0.00 -2.00 0.00 0.00 55.36 52.38 2kaw s GLN 80 Cb 0.39 -1.40 -0.01 0.00 0.80 0.00 0.00 33.01 32.80 2kaw s GLN 80 CO 0.11 0.31 0.73 0.95 -0.50 0.00 0.00 175.29 176.89 2kaw s THR 81 N -1.39 4.87 0.00 -0.34 -4.23 -1.26 -4.96 115.64 108.33 2kaw s THR 81 Ca 0.09 1.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 2kaw s THR 81 Cb -0.09 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 69.69 2kaw s THR 81 CO 0.05 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2kaw n GLY 82 N 4.15 1.84 3.74 3.99 0.00 -1.26 -5.13 105.19 112.53 2kaw n GLY 82 Ca 0.02 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.99 4.45 -0.19 1.61 0.04 -1.26 -4.55 135.00 133.11 2kaw s PRO 83 Ca 0.00 1.98 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2kaw s PRO 83 Cb 0.00 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 2kaw s PRO 83 CO 0.00 -0.13 -0.10 0.42 0.04 0.00 0.00 177.00 177.23 2kaw s ILE 84 N -0.25 3.00 -0.21 0.56 1.01 -1.18 -5.00 121.20 119.13 2kaw s ILE 84 Ca 0.53 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2kaw s ILE 84 Cb -0.35 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2kaw s ILE 84 CO 0.40 0.47 -0.10 -0.44 0.00 0.00 0.00 174.94 175.27 2kaw s SER 85 N 1.16 3.89 -0.17 3.58 0.01 -1.26 -0.22 113.70 120.69 2kaw s SER 85 Ca 0.01 -0.48 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2kaw s SER 85 Cb -0.14 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 2kaw s SER 85 CO -0.03 -0.01 0.01 -0.76 0.41 0.00 0.00 173.24 172.85 2kaw s LEU 86 N 1.40 3.50 -0.46 2.44 1.43 0.06 -1.63 118.68 125.41 2kaw s LEU 86 Ca 0.05 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 2kaw s LEU 86 Cb -0.14 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 44.34 2kaw s LEU 86 CO -0.06 0.17 0.33 -0.89 0.23 0.00 0.00 176.35 176.12 2kaw s THR 87 N 0.36 4.08 0.15 5.49 2.01 0.10 -0.46 115.64 127.36 2kaw s THR 87 Ca -0.01 -1.83 0.04 0.00 0.31 0.00 0.00 61.69 60.21 2kaw s THR 87 Cb -0.13 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2kaw s THR 87 CO 0.02 -0.76 0.14 0.68 -0.69 0.00 0.00 174.62 174.00 2kaw s VAL 88 N 1.33 4.58 -0.21 3.82 -7.23 -0.01 -1.20 120.40 121.48 2kaw s VAL 88 Ca 0.06 -0.98 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2kaw s VAL 88 Cb -0.26 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 2kaw s VAL 88 CO -0.01 -0.06 -0.07 0.00 -0.31 0.00 0.00 175.10 174.65 2kaw s ALA 89 N -1.68 2.74 -1.94 1.32 0.00 0.09 -0.37 121.76 121.91 2kaw s ALA 89 Ca 0.31 -1.15 0.16 0.00 0.00 0.00 0.00 51.96 51.28 2kaw s ALA 89 Cb -0.11 -1.60 0.12 0.00 0.00 0.00 0.00 23.12 21.53 2kaw s ALA 89 CO 0.24 -0.36 0.99 1.63 0.00 0.00 0.00 175.76 178.26