#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 5.00 -0.09 -1.44 1.01 -1.26 -0.26 121.20 124.16 2kaw s ILE 2 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2kaw s ILE 2 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 2kaw s ILE 2 CO 0.00 0.09 -0.23 -0.63 0.00 0.00 0.00 174.94 174.16 2kaw s ILE 3 N 2.04 2.15 -0.34 2.92 1.01 0.37 -4.97 121.20 124.37 2kaw s ILE 3 Ca 0.29 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 2kaw s ILE 3 Cb -0.16 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.53 2kaw s ILE 3 CO 0.10 0.56 0.12 -0.89 0.00 0.00 0.00 174.94 174.84 2kaw s THR 4 N 0.19 4.00 -0.05 2.92 2.01 -1.26 -0.68 115.64 122.77 2kaw s THR 4 Ca -0.14 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 2kaw s THR 4 Cb -0.17 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2kaw s THR 4 CO 0.07 -0.15 0.01 0.68 -0.69 0.00 0.00 174.62 174.55 2kaw s VAL 5 N 1.45 4.33 -0.30 3.82 -7.23 -0.32 -4.94 120.40 117.21 2kaw s VAL 5 Ca -0.00 -0.38 -0.06 0.00 -1.81 0.00 0.00 61.98 59.73 2kaw s VAL 5 Cb -0.19 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.90 2kaw s VAL 5 CO 0.04 0.50 0.07 0.28 -0.31 0.00 0.00 175.10 175.68 2kaw s THR 6 N -0.99 3.76 -0.04 5.32 -1.32 -1.26 -0.53 115.64 120.57 2kaw s THR 6 Ca 0.16 -0.89 -0.07 0.00 -1.21 0.00 0.00 61.69 59.69 2kaw s THR 6 Cb -0.11 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2kaw s THR 6 CO 0.06 0.01 0.22 -0.76 -2.21 0.00 0.00 174.62 171.94 2kaw s LEU 7 N 1.44 4.39 -0.39 9.08 1.43 -0.17 -5.00 118.68 129.47 2kaw s LEU 7 Ca 0.01 0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.44 2kaw s LEU 7 Cb -0.18 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2kaw s LEU 7 CO 0.02 0.32 0.66 0.21 0.23 0.00 0.00 176.35 177.79 2kaw s ASN 8 N -1.42 6.40 -0.33 2.29 3.84 -1.26 -3.20 114.94 121.26 2kaw s ASN 8 Ca 0.22 -0.00 0.09 0.00 0.21 0.00 0.00 52.86 53.38 2kaw s ASN 8 Cb -0.13 -2.33 0.72 0.00 -0.55 0.00 0.00 41.25 38.96 2kaw s ASN 8 CO 0.12 -0.69 1.81 0.23 -2.79 0.00 0.00 177.10 175.78 2kaw n MET 9 N 6.20 3.50 -0.09 0.43 2.81 -1.26 -4.00 117.12 124.71 2kaw n MET 9 Ca -0.01 -2.99 -0.14 0.00 -1.81 0.00 0.00 57.70 52.75 2kaw n MET 9 Cb 0.48 -2.20 -0.06 0.00 -0.71 0.00 0.00 33.22 30.73 2kaw n MET 9 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2kaw n GLU 10 N -0.25 0.52 0.00 0.03 -0.58 -1.26 -4.28 120.64 114.81 2kaw n GLU 10 Ca 0.43 0.49 0.14 0.00 -0.42 0.00 0.00 57.16 57.80 2kaw n GLU 10 Cb 1.41 -1.67 0.61 0.00 -0.57 0.00 0.00 31.44 31.23 2kaw n GLU 10 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2kaw n ARG 11 N -4.49 1.42 -4.45 3.49 0.63 -1.26 -4.84 116.66 107.16 2kaw n ARG 11 Ca -0.23 -0.69 -0.25 0.00 -0.92 0.00 0.00 57.85 55.77 2kaw n ARG 11 Cb 0.52 -1.49 -0.10 0.00 0.45 0.00 0.00 32.46 31.84 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 -2.06 2.32 0.00 -0.14 3.76 -1.26 -5.04 115.29 112.88 2kaw s HIS 12 Ca 0.39 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2kaw s HIS 12 Cb 0.21 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.86 2kaw s HIS 12 CO 0.36 0.66 0.00 0.72 -0.85 0.00 0.00 174.74 175.63 2kaw n HIS 13 N -0.40 0.00 -3.89 1.40 8.25 -1.26 -4.69 115.22 114.63 2kaw n HIS 13 Ca -0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.30 2kaw n HIS 13 Cb 0.59 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.41 0.20 0.00 4.41 -0.12 -1.26 -5.05 117.98 114.76 2kaw s PHE 14 Ca 0.00 -0.62 -0.08 0.00 -0.05 0.00 0.00 56.93 56.18 2kaw s PHE 14 Cb 0.00 -0.11 -0.30 0.00 -0.63 0.00 0.00 43.02 41.98 2kaw s PHE 14 CO 0.00 -0.50 0.87 -0.07 -0.05 0.00 0.00 175.22 175.47 2kaw h LEU 15 N 2.93 0.54 -1.83 -1.99 3.38 -1.95 0.59 115.31 116.98 2kaw h LEU 15 Ca -0.34 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 56.90 2kaw h LEU 15 Cb 1.19 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.78 2kaw h LEU 15 CO 0.57 1.58 -0.07 0.61 0.09 0.00 0.00 178.44 181.21 2kaw n GLY 16 N 1.71 0.42 2.68 0.83 0.00 -1.26 -1.09 105.19 108.48 2kaw n GLY 16 Ca -0.18 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.03 -0.27 -0.20 -0.61 -4.36 -1.26 -0.37 121.20 111.10 2kaw s ILE 17 Ca 0.01 -0.52 -0.29 0.00 -0.26 0.00 0.00 60.65 59.58 2kaw s ILE 17 Cb -0.00 -0.93 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 2kaw s ILE 17 CO 0.07 -0.52 1.52 -0.94 0.24 0.00 0.00 174.94 175.31 2kaw s SER 18 N 2.26 6.55 0.24 4.36 1.04 -0.15 -4.89 113.70 123.10 2kaw s SER 18 Ca 0.09 1.65 -0.30 0.00 0.48 0.00 0.00 55.95 57.87 2kaw s SER 18 Cb -0.15 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.35 2kaw s SER 18 CO -0.31 -1.11 1.14 -0.63 0.98 0.00 0.00 173.24 173.31 2kaw s ILE 19 N 4.65 3.54 -0.18 -1.02 -1.09 -1.26 -0.09 121.20 125.75 2kaw s ILE 19 Ca 0.67 1.43 0.01 0.00 -2.23 0.00 0.00 60.65 60.53 2kaw s ILE 19 Cb -0.24 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2kaw s ILE 19 CO 0.26 0.29 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.43 2kaw s VAL 20 N -0.69 1.79 -0.25 2.92 1.01 0.12 -4.82 120.40 120.49 2kaw s VAL 20 Ca 0.48 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2kaw s VAL 20 Cb -0.32 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2kaw s VAL 20 CO 0.39 0.34 0.74 -0.83 0.00 0.00 0.00 175.10 175.75 2kaw s GLY 21 N 1.36 1.78 -0.39 4.51 0.00 -1.26 -0.00 107.32 113.32 2kaw s GLY 21 Ca 0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.24 2kaw s GLY 21 CO -0.10 1.65 0.80 1.62 0.00 0.00 0.00 173.10 177.07 2kaw s GLN 22 N 2.69 3.65 0.07 2.90 0.74 0.19 -5.00 119.66 124.90 2kaw s GLN 22 Ca 0.31 0.20 0.06 0.00 0.05 0.00 0.00 55.36 55.99 2kaw s GLN 22 Cb -0.15 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 2kaw s GLN 22 CO 0.08 -0.95 -0.11 -1.12 -0.55 0.00 0.00 175.29 172.63 2kaw s SER 23 N 1.95 4.32 0.04 6.67 0.01 -1.26 -2.61 113.70 122.83 2kaw s SER 23 Ca 0.32 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 2kaw s SER 23 Cb -0.13 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2kaw s SER 23 CO 0.19 0.22 0.07 -3.20 0.41 0.00 0.00 173.24 170.92 2kaw n ASN 24 N 1.06 -0.18 0.14 2.44 2.85 -1.26 -4.94 115.26 115.36 2kaw n ASN 24 Ca -0.14 -1.21 0.14 0.00 -0.11 0.00 0.00 54.58 53.25 2kaw n ASN 24 Cb 0.52 0.33 0.67 0.00 1.24 0.00 0.00 39.78 42.54 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 0.23 0.00 0.00 1.20 3.32 -2.03 -2.82 116.42 116.32 2kaw h ASP 25 Ca -0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2kaw h ASP 25 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2kaw h ASP 25 CO 0.04 0.00 -0.24 0.03 -1.72 0.00 0.00 179.24 177.35 2kaw h ARG 26 N 0.00 0.00 0.00 3.56 2.47 -2.01 -3.49 114.38 114.91 2kaw h ARG 26 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2kaw h ARG 26 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2kaw h ARG 26 CO -0.00 0.22 0.00 0.41 0.56 0.00 0.00 179.97 181.16 2kaw n GLY 27 N 1.68 1.68 2.32 0.04 0.00 -1.07 -4.99 105.19 104.86 2kaw n GLY 27 Ca -0.06 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 0.04 7.61 0.11 1.61 5.75 -1.26 -4.46 116.55 125.95 2kaw n ASP 28 Ca 0.00 -2.51 -0.22 0.00 -0.01 0.00 0.00 54.79 52.05 2kaw n ASP 28 Cb 0.00 -1.45 -0.15 0.00 -1.03 0.00 0.00 41.12 38.49 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 6.95 0.50 0.00 6.12 0.00 -1.88 -3.51 103.07 111.24 2kaw h GLY 29 Ca 0.72 -1.27 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2kaw h GLY 29 CO 1.52 1.11 0.00 0.61 0.00 0.00 0.00 176.54 179.78 2kaw n GLY 30 N 1.75 1.83 3.68 4.60 0.00 -1.22 -4.77 105.19 111.07 2kaw n GLY 30 Ca -0.19 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 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 5.21 0.28 -0.61 -4.36 -1.26 -0.63 121.20 117.40 2kaw s ILE 31 Ca 0.00 0.12 0.11 0.00 -0.26 0.00 0.00 60.65 60.62 2kaw s ILE 31 Cb 0.00 -3.38 -0.05 0.00 1.25 0.00 0.00 42.46 40.28 2kaw s ILE 31 CO 0.00 0.42 -0.15 -0.31 0.24 0.00 0.00 174.94 175.14 2kaw s TYR 32 N 0.55 2.39 -0.31 1.37 1.51 1.00 -1.30 117.35 122.55 2kaw s TYR 32 Ca 0.07 -0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 55.54 2kaw s TYR 32 Cb -0.12 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 2kaw s TYR 32 CO 0.00 0.70 1.01 0.42 -1.11 0.00 0.00 175.55 176.57 2kaw s ILE 33 N -2.47 4.58 0.00 2.71 -1.09 0.91 0.16 121.20 126.00 2kaw s ILE 33 Ca 0.30 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2kaw s ILE 33 Cb -0.05 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 2kaw s ILE 33 CO 0.16 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.07 2kaw n GLY 34 N 3.91 0.46 3.22 6.18 0.00 0.87 -0.57 105.19 119.26 2kaw n GLY 34 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.07 2.16 -0.12 1.61 1.04 -1.25 -4.58 113.70 110.49 2kaw s SER 35 Ca 0.00 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 2kaw s SER 35 Cb 0.00 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2kaw s SER 35 CO 0.00 0.07 -0.01 -0.63 0.98 0.00 0.00 173.24 173.65 2kaw s ILE 36 N -0.96 4.14 -0.20 -1.02 1.01 -1.26 -0.98 121.20 121.93 2kaw s ILE 36 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 2kaw s ILE 36 Cb -0.09 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 2kaw s ILE 36 CO 0.02 0.55 0.11 -0.04 0.00 0.00 0.00 174.94 175.58 2kaw s MET 37 N -0.33 4.08 0.23 2.79 -1.94 0.50 -4.98 119.30 119.66 2kaw s MET 37 Ca 0.06 -0.28 -0.30 0.00 -1.71 0.00 0.00 55.69 53.46 2kaw s MET 37 Cb -0.12 -3.36 -0.10 0.00 2.01 0.00 0.00 34.83 33.25 2kaw s MET 37 CO 0.02 0.24 1.49 0.21 -0.01 0.00 0.00 175.02 176.97 2kaw s LYS 38 N 0.50 4.24 0.00 2.03 2.47 -1.26 -2.33 119.74 125.39 2kaw s LYS 38 Ca 0.06 2.35 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 2kaw s LYS 38 Cb -0.12 -3.11 0.00 0.00 -1.46 0.00 0.00 37.83 33.14 2kaw s LYS 38 CO -0.00 -0.49 0.00 0.41 0.16 0.00 0.00 175.35 175.43 2kaw n GLY 39 N 2.58 0.80 3.87 5.54 0.00 -1.26 -5.07 105.19 111.66 2kaw n GLY 39 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.18 1.62 0.38 -0.02 0.00 -0.98 -4.89 107.32 101.25 2kaw s GLY 40 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.38 2kaw s GLY 40 CO 0.00 0.02 2.04 0.00 0.00 0.00 0.00 173.10 175.16 2kaw h ALA 41 N -0.83 1.64 -0.27 3.20 0.00 -0.34 -2.23 119.26 120.43 2kaw h ALA 41 Ca -0.46 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 2kaw h ALA 41 Cb 1.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kaw h ALA 41 CO 0.64 0.33 -0.51 0.28 0.00 0.00 0.00 179.25 179.99 2kaw h VAL 42 N 0.68 1.28 0.00 0.00 2.07 -1.37 -2.79 116.25 116.13 2kaw h VAL 42 Ca 0.18 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2kaw h VAL 42 Cb -0.08 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2kaw h VAL 42 CO -0.04 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.10 2kaw n ALA 43 N -2.56 1.47 0.77 1.67 0.00 -0.88 -1.04 120.51 119.94 2kaw n ALA 43 Ca -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2kaw n ALA 43 Cb 0.60 -1.20 0.24 0.00 0.00 0.00 0.00 19.45 19.10 2kaw n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kaw n ALA 44 N -1.55 3.10 -0.01 0.00 0.00 -0.98 -4.44 120.51 116.63 2kaw n ALA 44 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 2kaw n ALA 44 Cb 0.13 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.84 0.18 0.00 0.00 -0.08 -0.20 -5.03 116.55 109.58 2kaw n ASP 45 Ca 0.04 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2kaw n ASP 45 Cb 0.39 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.32 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 1.65 2.18 0.17 0.27 0.00 -1.15 -4.93 105.19 103.39 2kaw n GLY 46 Ca -0.01 0.00 -0.01 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 0.63 0.11 -6.40 1.61 3.08 -1.96 -3.42 114.38 108.03 2kaw h ARG 47 Ca 0.00 -0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.45 2kaw h ARG 47 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2kaw h ARG 47 CO 0.00 0.58 0.23 0.42 -1.07 0.00 0.00 179.97 180.13 2kaw s ILE 48 N -3.94 4.62 0.08 2.04 1.01 -1.26 -5.06 121.20 118.69 2kaw s ILE 48 Ca -0.03 1.78 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 2kaw s ILE 48 Cb 0.13 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2kaw s ILE 48 CO 0.76 0.36 0.12 -1.83 0.00 0.00 0.00 174.94 174.36 2kaw s GLU 49 N -0.14 0.77 -0.01 2.79 -1.05 -1.26 -4.98 118.70 114.82 2kaw s GLU 49 Ca 0.41 -1.05 -0.37 0.00 -0.15 0.00 0.00 54.97 53.81 2kaw s GLU 49 Cb -0.22 0.30 -0.16 0.00 -0.44 0.00 0.00 34.13 33.62 2kaw s GLU 49 CO 0.25 -0.22 1.52 -2.30 0.95 0.00 0.00 175.26 175.47 2kaw n PRO 50 N -0.01 1.39 0.00 -4.83 -0.02 -1.26 -1.75 135.00 128.53 2kaw n PRO 50 Ca -0.15 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2kaw n PRO 50 Cb 0.62 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 3.23 2.14 3.77 -1.23 0.00 0.26 -4.99 105.19 108.36 2kaw n GLY 51 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.72 6.85 -0.21 1.61 1.01 -0.71 -4.66 116.67 118.84 2kaw s ASP 52 Ca 0.00 2.61 -0.10 0.00 0.71 0.00 0.00 52.55 55.77 2kaw s ASP 52 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 2kaw s ASP 52 CO 0.00 -0.48 0.13 -0.32 0.21 0.00 0.00 175.17 174.71 2kaw s MET 53 N -1.60 4.15 -0.45 8.23 -2.45 -1.14 -0.06 119.30 125.97 2kaw s MET 53 Ca 0.49 -0.24 -0.25 0.00 -1.25 0.00 0.00 55.69 54.44 2kaw s MET 53 Cb -0.38 -3.43 0.03 0.00 1.25 0.00 0.00 34.83 32.29 2kaw s MET 53 CO 0.50 0.25 0.90 -0.51 1.05 0.00 0.00 175.02 177.21 2kaw s LEU 54 N 0.51 4.04 -0.07 4.11 1.43 -0.42 -0.15 118.68 128.13 2kaw s LEU 54 Ca 0.08 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 2kaw s LEU 54 Cb -0.12 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 2kaw s LEU 54 CO -0.00 -1.01 -0.09 0.18 0.23 0.00 0.00 176.35 175.66 2kaw n LEU 55 N 7.06 0.86 -4.26 1.79 4.77 -0.14 -4.57 117.00 122.50 2kaw n LEU 55 Ca 0.06 0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 56.14 2kaw n LEU 55 Cb 0.48 -0.67 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 2kaw n LEU 55 CO 0.63 -0.48 -0.56 -1.58 -1.33 0.00 0.00 177.39 174.06 2kaw s GLN 56 N -1.61 2.68 -0.30 3.23 0.74 -1.22 -0.08 119.66 123.11 2kaw s GLN 56 Ca -0.07 -0.89 0.01 0.00 0.05 0.00 0.00 55.36 54.45 2kaw s GLN 56 Cb 0.01 -2.21 0.09 0.00 1.10 0.00 0.00 33.01 32.00 2kaw s GLN 56 CO 0.11 0.34 0.06 0.08 -0.55 0.00 0.00 175.29 175.32 2kaw s VAL 57 N -0.05 1.31 -0.76 1.34 1.01 -0.43 -0.75 120.40 122.07 2kaw s VAL 57 Ca -0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 61.98 60.32 2kaw s VAL 57 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2kaw s VAL 57 CO 0.05 -0.54 0.68 0.59 0.00 0.00 0.00 175.10 175.88 2kaw n ASN 58 N 4.68 -6.33 0.00 3.32 4.13 -0.72 -3.69 115.26 116.65 2kaw n ASN 58 Ca -0.02 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.89 2kaw n ASN 58 Cb 0.43 -4.51 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 2kaw n ASN 58 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kaw n ASP 59 N -2.34 0.00 -4.68 6.41 -0.08 -1.26 -4.93 116.55 109.67 2kaw n ASP 59 Ca -0.03 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.83 2kaw n ASP 59 Cb 0.55 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.99 2kaw n ASP 59 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2kaw s VAL 60 N 0.00 3.76 -0.20 5.18 -7.23 -1.24 -4.99 120.40 115.68 2kaw s VAL 60 Ca 0.00 1.09 -0.15 0.00 -1.81 0.00 0.00 61.98 61.11 2kaw s VAL 60 Cb 0.00 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 2kaw s VAL 60 CO 0.00 -0.03 0.34 0.21 -0.31 0.00 0.00 175.10 175.31 2kaw s ASN 61 N 2.13 6.39 -0.03 4.85 2.47 -1.26 -1.32 114.94 128.17 2kaw s ASN 61 Ca 0.64 0.46 0.21 0.00 0.42 0.00 0.00 52.86 54.59 2kaw s ASN 61 Cb -0.30 -2.20 0.65 0.00 -1.45 0.00 0.00 41.25 37.95 2kaw s ASN 61 CO 0.25 -0.01 1.55 0.49 -3.72 0.00 0.00 177.10 175.66 2kaw n PHE 62 N 4.22 1.11 0.24 0.43 3.72 0.88 -4.35 117.46 123.71 2kaw n PHE 62 Ca -0.10 -0.51 0.08 0.00 -0.05 0.00 0.00 57.45 56.86 2kaw n PHE 62 Cb 0.51 -0.07 0.58 0.00 -0.94 0.00 0.00 39.48 39.56 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 4.13 0.00 -0.27 -1.08 5.08 -1.88 -2.34 114.58 118.22 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 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2kaw h GLU 63 CO 0.07 0.16 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 2kaw n ASN 64 N -4.13 3.84 -4.45 1.42 3.02 -1.26 -4.99 115.26 108.70 2kaw n ASN 64 Ca -0.02 -2.95 -0.24 0.00 -0.03 0.00 0.00 54.58 51.34 2kaw n ASN 64 Cb 0.24 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.70 1.63 0.74 3.52 -1.94 -0.88 -5.13 119.30 114.53 2kaw s MET 65 Ca 0.41 -1.72 -0.11 0.00 -1.71 0.00 0.00 55.69 52.56 2kaw s MET 65 Cb 0.33 -1.74 0.04 0.00 2.01 0.00 0.00 34.83 35.47 2kaw s MET 65 CO 0.09 0.33 1.08 -1.12 -0.01 0.00 0.00 175.02 175.39 2kaw s SER 66 N -3.37 4.89 0.15 3.03 0.01 -1.26 -4.83 113.70 112.32 2kaw s SER 66 Ca 0.28 1.66 -0.17 0.00 1.31 0.00 0.00 55.95 59.04 2kaw s SER 66 Cb -0.05 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.78 2kaw s SER 66 CO 0.14 -1.77 1.74 0.78 0.41 0.00 0.00 173.24 174.54 2kaw h ASN 67 N -0.94 0.05 -0.26 2.44 2.35 -1.92 0.47 115.58 117.76 2kaw h ASN 67 Ca -0.44 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2kaw h ASN 67 Cb 1.23 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.64 2kaw h ASN 67 CO 0.55 0.07 0.16 0.44 -1.65 0.00 0.00 177.43 176.99 2kaw h ASP 68 N 0.21 0.31 -0.87 5.81 5.19 -1.98 -2.13 116.42 122.97 2kaw h ASP 68 Ca 0.16 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2kaw h ASP 68 Cb 0.16 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 2kaw h ASP 68 CO -0.19 0.27 0.58 0.44 -3.12 0.00 0.00 179.24 177.22 2kaw h ASP 69 N 0.33 1.00 -0.11 6.45 3.32 -1.82 -0.57 116.42 125.02 2kaw h ASP 69 Ca 0.09 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2kaw h ASP 69 Cb 0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2kaw h ASP 69 CO -0.02 0.72 0.06 0.00 -1.72 0.00 0.00 179.24 178.28 2kaw h ALA 70 N 1.46 0.14 -0.41 3.45 0.00 -0.54 -2.33 119.26 121.02 2kaw h ALA 70 Ca 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2kaw h ALA 70 Cb -0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2kaw h ALA 70 CO -0.07 -0.33 0.05 0.28 0.00 0.00 0.00 179.25 179.18 2kaw h VAL 71 N 0.08 1.20 0.67 0.00 2.07 -0.88 -0.56 116.25 118.84 2kaw h VAL 71 Ca 0.04 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2kaw h VAL 71 Cb 0.07 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2kaw h VAL 71 CO -0.01 0.28 -0.41 0.03 0.02 0.00 0.00 177.57 177.48 2kaw h ARG 72 N 0.61 -0.99 -0.23 1.57 3.08 -0.74 0.58 114.38 118.25 2kaw h ARG 72 Ca 0.13 0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 2kaw h ARG 72 Cb 0.31 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2kaw h ARG 72 CO 0.01 -0.66 -0.14 0.28 -1.07 0.00 0.00 179.97 178.39 2kaw h VAL 73 N -1.02 1.22 -0.88 2.04 2.07 -1.36 -2.31 116.25 115.99 2kaw h VAL 73 Ca -0.08 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2kaw h VAL 73 Cb 0.83 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2kaw h VAL 73 CO 0.08 0.31 0.58 0.25 0.02 0.00 0.00 177.57 178.81 2kaw h LEU 74 N 0.36 1.00 -1.11 2.57 5.85 -0.76 -1.67 115.31 121.55 2kaw h LEU 74 Ca 0.07 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2kaw h LEU 74 Cb 0.46 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2kaw h LEU 74 CO 0.03 0.72 0.19 0.03 -0.34 0.00 0.00 178.44 179.07 2kaw h ARG 75 N 1.18 0.82 -0.39 1.25 3.08 -0.32 0.23 114.38 120.23 2kaw h ARG 75 Ca 0.33 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 2kaw h ARG 75 Cb -0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 2kaw h ARG 75 CO -0.08 0.70 0.00 0.93 -1.07 0.00 0.00 179.97 180.46 2kaw h GLU 76 N 0.81 0.62 0.15 0.04 4.39 -1.12 0.51 114.58 119.98 2kaw h GLU 76 Ca 0.19 -0.14 -0.22 0.00 0.34 0.00 0.00 59.36 59.53 2kaw h GLU 76 Cb 0.21 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2kaw h GLU 76 CO -0.01 0.64 -0.98 0.82 -1.16 0.00 0.00 179.01 178.32 2kaw h ILE 77 N 0.59 1.41 -0.26 3.13 2.04 -0.84 -3.17 117.51 120.41 2kaw h ILE 77 Ca 0.12 -2.53 -0.04 0.00 1.00 0.00 0.00 64.86 63.42 2kaw h ILE 77 Cb 0.37 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 2kaw h ILE 77 CO 0.01 0.72 -0.00 0.58 0.00 0.00 0.00 178.15 179.46 2kaw h VAL 78 N -0.31 1.16 -0.46 1.67 2.07 -0.45 -1.47 116.25 118.46 2kaw h VAL 78 Ca -0.18 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kaw h VAL 78 Cb 1.71 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2kaw h VAL 78 CO 0.15 0.22 0.00 -1.20 0.02 0.00 0.00 177.57 176.75 2kaw n SER 79 N -4.33 4.29 -4.65 0.57 7.64 0.16 -4.91 113.62 112.39 2kaw n SER 79 Ca 0.01 -2.57 -0.24 0.00 1.01 0.00 0.00 58.87 57.08 2kaw n SER 79 Cb 0.21 -0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 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 -2.12 2.16 -0.13 1.43 2.00 -0.55 -5.01 119.66 117.43 2kaw s GLN 80 Ca 0.41 -1.66 -0.13 0.00 -2.00 0.00 0.00 55.36 51.97 2kaw s GLN 80 Cb 0.29 -2.01 -0.05 0.00 0.80 0.00 0.00 33.01 32.05 2kaw s GLN 80 CO 0.15 0.17 0.30 0.95 -0.50 0.00 0.00 175.29 176.35 2kaw s THR 81 N -2.47 5.28 -4.77 -0.34 -4.23 -1.26 -4.99 115.64 102.86 2kaw s THR 81 Ca 0.35 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2kaw s THR 81 Cb -0.02 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2kaw s THR 81 CO 0.20 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 2kaw n GLY 82 N 2.98 0.99 3.79 3.99 0.00 -1.26 -5.10 105.19 110.57 2kaw n GLY 82 Ca -0.13 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.53 4.50 -0.17 1.61 0.04 -1.26 -4.38 135.00 133.82 2kaw s PRO 83 Ca 0.00 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.18 2kaw s PRO 83 Cb 0.00 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.47 2kaw s PRO 83 CO 0.00 0.48 -0.20 0.42 0.04 0.00 0.00 177.00 177.74 2kaw s ILE 84 N -1.32 2.01 -0.21 0.56 1.01 -1.19 -5.01 121.20 117.05 2kaw s ILE 84 Ca 0.40 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 2kaw s ILE 84 Cb -0.21 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2kaw s ILE 84 CO 0.25 0.53 0.07 -0.44 0.00 0.00 0.00 174.94 175.35 2kaw s SER 85 N 1.17 5.52 -0.22 3.58 0.01 -1.26 -1.00 113.70 121.50 2kaw s SER 85 Ca 0.02 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.23 2kaw s SER 85 Cb -0.14 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 2kaw s SER 85 CO -0.10 0.10 -0.04 -0.76 0.41 0.00 0.00 173.24 172.86 2kaw s LEU 86 N 0.81 2.94 -0.56 2.44 1.43 0.31 -1.76 118.68 124.29 2kaw s LEU 86 Ca 0.04 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 2kaw s LEU 86 Cb -0.13 -1.74 0.13 0.00 0.03 0.00 0.00 46.19 44.48 2kaw s LEU 86 CO 0.02 -0.03 0.53 -0.89 0.23 0.00 0.00 176.35 176.21 2kaw s THR 87 N 1.47 5.19 -0.01 5.49 2.01 0.07 -1.17 115.64 128.69 2kaw s THR 87 Ca 0.05 -1.49 -0.04 0.00 0.31 0.00 0.00 61.69 60.52 2kaw s THR 87 Cb -0.14 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 2kaw s THR 87 CO -0.03 -0.90 0.20 0.68 -0.69 0.00 0.00 174.62 173.88 2kaw s VAL 88 N 1.65 5.41 -0.39 3.82 -7.23 0.15 -0.97 120.40 122.84 2kaw s VAL 88 Ca 0.04 -0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 60.06 2kaw s VAL 88 Cb -0.29 -3.54 0.06 0.00 0.56 0.00 0.00 36.38 33.17 2kaw s VAL 88 CO 0.03 0.35 0.21 0.00 -0.31 0.00 0.00 175.10 175.37 2kaw s ALA 89 N -1.31 3.22 -2.87 1.32 0.00 0.79 -0.48 121.76 122.43 2kaw s ALA 89 Ca 0.27 -1.97 0.25 0.00 0.00 0.00 0.00 51.96 50.51 2kaw s ALA 89 Cb -0.13 -2.53 0.41 0.00 0.00 0.00 0.00 23.12 20.87 2kaw s ALA 89 CO 0.17 -1.52 1.38 1.63 0.00 0.00 0.00 175.76 177.43