#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kde s LYS 2 N 0.00 4.21 -0.09 2.12 1.02 -1.26 -4.98 119.74 120.76 3kde s LYS 2 Ca 0.00 2.31 0.01 0.00 0.02 0.00 0.00 55.97 58.32 3kde s LYS 2 Cb 0.00 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3kde s LYS 2 CO 0.00 -0.69 -0.12 -0.47 -0.92 0.00 0.00 175.35 173.16 3kde s TYR 3 N 2.20 1.58 -0.20 3.18 5.04 -1.26 -0.87 117.35 127.02 3kde s TYR 3 Ca 0.72 -0.68 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 3kde s TYR 3 Cb -0.40 -1.19 -0.04 0.00 0.35 0.00 0.00 41.96 40.68 3kde s TYR 3 CO 0.32 -0.39 0.40 0.00 -1.34 0.00 0.00 175.55 174.55 3kde h LYS 5 N 7.37 0.00 0.07 0.00 1.63 -1.40 0.75 116.57 124.99 3kde h LYS 5 Ca -0.36 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.31 3kde h LYS 5 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 3kde h LYS 5 CO 0.72 0.32 -0.62 0.35 -3.45 0.00 0.00 179.45 176.77 3kde h PHE 6 N 0.00 0.27 0.00 1.91 3.57 -1.93 -3.29 116.94 117.47 3kde h PHE 6 Ca -0.00 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 3kde h PHE 6 Cb 0.71 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3kde h PHE 6 CO 0.00 1.24 -0.02 0.00 -2.23 0.00 0.00 178.31 177.30 3kde s LYS 9 N -6.43 1.21 0.34 0.00 -2.85 -1.18 -5.02 119.74 105.81 3kde s LYS 9 Ca 0.61 -0.99 -0.29 0.00 -1.00 0.00 0.00 55.97 54.31 3kde s LYS 9 Cb -0.29 0.44 -0.11 0.00 -2.06 0.00 0.00 37.83 35.81 3kde s LYS 9 CO 0.76 -0.47 1.44 0.00 0.10 0.00 0.00 175.35 177.17 3kde s ALA 10 N -3.91 3.58 0.13 0.59 0.00 -1.26 -1.66 121.76 119.24 3kde s ALA 10 Ca 0.12 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.60 3kde s ALA 10 Cb 0.02 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3kde s ALA 10 CO -0.03 -0.89 -0.16 0.14 0.00 0.00 0.00 175.76 174.82 3kde s VAL 11 N -0.86 1.51 0.07 0.00 -7.23 -0.04 -4.90 120.40 108.94 3kde s VAL 11 Ca 0.54 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 3kde s VAL 11 Cb -0.44 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 3kde s VAL 11 CO 0.56 -0.36 -0.08 0.42 -0.31 0.00 0.00 175.10 175.33 3kde s THR 12 N -2.05 0.69 -1.46 5.32 -4.23 -1.26 -4.43 115.64 108.21 3kde s THR 12 Ca 0.11 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 3kde s THR 12 Cb -0.05 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3kde s THR 12 CO 0.04 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3kde n GLY 13 N 0.81 1.42 3.25 3.99 0.00 -1.26 -4.99 105.19 108.41 3kde n GLY 13 Ca -0.18 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 3kde n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kde s VAL 14 N -2.51 1.29 0.03 1.61 -7.23 -1.26 -5.11 120.40 107.21 3kde s VAL 14 Ca 0.00 -1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 58.18 3kde s VAL 14 Cb 0.00 -1.64 -0.06 0.00 0.56 0.00 0.00 36.38 35.25 3kde s VAL 14 CO 0.00 -0.52 0.45 -0.54 -0.31 0.00 0.00 175.10 174.17 3kde s LYS 15 N -3.02 3.98 0.28 4.82 -0.14 -1.26 -4.98 119.74 119.41 3kde s LYS 15 Ca 0.12 0.48 -0.08 0.00 -1.36 0.00 0.00 55.97 55.13 3kde s LYS 15 Cb -0.03 -3.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.86 3kde s LYS 15 CO 0.03 0.67 0.58 -0.51 -0.76 0.00 0.00 175.35 175.36 3kde s LEU 16 N -1.15 4.07 -0.04 3.17 1.43 -1.26 -0.13 118.68 124.76 3kde s LEU 16 Ca 0.26 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 3kde s LEU 16 Cb -0.17 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3kde s LEU 16 CO 0.15 -0.17 -0.14 -0.63 0.23 0.00 0.00 176.35 175.79 3kde s ILE 17 N -2.01 1.22 0.40 -0.59 -1.09 0.69 -4.87 121.20 114.96 3kde s ILE 17 Ca 0.47 -0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 58.06 3kde s ILE 17 Cb -0.11 -1.06 -0.10 0.00 -1.58 0.00 0.00 42.46 39.61 3kde s ILE 17 CO 0.26 0.36 1.00 -1.00 -1.23 0.00 0.00 174.94 174.33 3kde s HIS 18 N 0.16 3.33 0.62 3.97 3.76 -1.26 -0.62 115.29 125.24 3kde s HIS 18 Ca -0.05 1.65 -0.13 0.00 -0.15 0.00 0.00 55.06 56.38 3kde s HIS 18 Cb -0.11 -3.00 -0.03 0.00 1.11 0.00 0.00 32.58 30.54 3kde s HIS 18 CO 0.02 -0.35 1.04 0.14 -0.85 0.00 0.00 174.74 174.74 3kde s VAL 19 N -1.84 4.29 0.40 -0.90 -7.23 -1.01 -4.90 120.40 109.21 3kde s VAL 19 Ca 0.59 0.88 -0.27 0.00 -1.81 0.00 0.00 61.98 61.36 3kde s VAL 19 Cb -0.17 -3.60 -0.10 0.00 0.56 0.00 0.00 36.38 33.07 3kde s VAL 19 CO 0.22 -0.84 1.43 -2.84 -0.31 0.00 0.00 175.10 172.75 3kde s PRO 20 N -4.69 4.00 0.33 4.82 0.02 -1.26 -4.91 135.00 133.31 3kde s PRO 20 Ca 0.58 2.44 0.06 0.00 0.02 0.00 0.00 61.00 64.10 3kde s PRO 20 Cb -0.13 -2.87 0.58 0.00 0.02 0.00 0.00 34.50 32.10 3kde s PRO 20 CO 0.46 -0.57 1.81 -0.22 -0.33 0.00 0.00 177.00 178.15 3kde h LYS 21 N 2.82 0.35 -6.46 5.54 1.63 -1.94 -3.41 116.57 115.10 3kde h LYS 21 Ca -0.50 -0.11 -0.53 0.00 -0.85 0.00 0.00 60.65 58.65 3kde h LYS 21 Cb 1.25 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 32.87 3kde h LYS 21 CO 0.63 0.55 1.03 0.00 -3.45 0.00 0.00 179.45 178.21 3kde h ALA 23 N 8.46 1.46 0.07 0.00 0.00 -1.99 0.86 119.26 128.13 3kde h ALA 23 Ca -0.43 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 3kde h ALA 23 Cb 1.20 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kde h ALA 23 CO 0.93 0.40 -0.76 0.82 0.00 0.00 0.00 179.25 180.64 3kde h ILE 24 N 0.54 1.44 -0.79 0.00 2.04 -1.96 -2.22 117.51 116.56 3kde h ILE 24 Ca 0.13 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 3kde h ILE 24 Cb 0.20 2.84 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 3kde h ILE 24 CO -0.00 0.67 0.43 0.11 0.00 0.00 0.00 178.15 179.35 3kde h LYS 25 N -0.16 1.11 -0.20 2.37 1.57 -1.92 -2.64 116.57 116.70 3kde h LYS 25 Ca -0.11 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 3kde h LYS 25 Cb 1.51 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 3kde h LYS 25 CO 0.15 0.82 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.66 3kde h ARG 26 N 1.10 0.31 -0.54 3.15 2.43 -0.85 -1.82 114.38 118.16 3kde h ARG 26 Ca 0.28 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3kde h ARG 26 Cb 0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3kde h ARG 26 CO -0.04 0.43 0.08 -0.22 -1.51 0.00 0.00 179.97 178.70 3kde h LYS 27 N 0.30 0.86 -0.65 0.20 1.63 -1.05 -1.91 116.57 115.95 3kde h LYS 27 Ca 0.06 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 59.70 3kde h LYS 27 Cb 0.37 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 3kde h LYS 27 CO 0.02 0.80 0.38 -0.07 -3.45 0.00 0.00 179.45 177.13 3kde h LEU 28 N 0.81 0.59 -0.61 5.20 4.07 -1.05 -0.73 115.31 123.59 3kde h LEU 28 Ca 0.17 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 3kde h LEU 28 Cb 0.37 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 3kde h LEU 28 CO 0.01 0.40 0.15 -0.50 -1.08 0.00 0.00 178.44 177.41 3kde h TRP 29 N 0.72 1.03 -0.56 1.13 4.06 -1.19 -1.21 115.95 119.94 3kde h TRP 29 Ca 0.27 -0.12 0.04 0.00 2.06 0.00 0.00 58.89 61.14 3kde h TRP 29 Cb 0.10 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 27.93 3kde h TRP 29 CO -0.06 0.87 0.31 0.93 -3.56 0.00 0.00 178.44 176.92 3kde h GLU 30 N 0.89 0.58 -0.64 0.49 5.08 -0.87 -0.68 114.58 119.43 3kde h GLU 30 Ca 0.19 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3kde h GLU 30 Cb 0.36 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3kde h GLU 30 CO 0.00 0.38 0.07 1.96 -1.00 0.00 0.00 179.01 180.42 3kde h GLN 31 N 0.59 1.08 -0.41 2.33 4.20 -0.97 0.47 115.11 122.40 3kde h GLN 31 Ca 0.24 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3kde h GLN 31 Cb 0.10 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3kde h GLN 31 CO -0.14 1.02 -0.11 1.03 -0.67 0.00 0.00 178.83 179.95 3kde h SER 32 N 0.99 0.71 0.22 1.46 0.87 -0.84 -3.31 113.55 113.65 3kde h SER 32 Ca 0.19 -0.21 -0.33 0.00 -1.23 0.00 0.00 61.79 60.21 3kde h SER 32 Cb 0.49 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 3kde h SER 32 CO 0.02 0.86 -2.08 0.18 -0.53 0.00 0.00 176.83 175.28 3kde n LEU 33 N -4.17 0.38 -0.27 2.23 4.77 -0.30 -4.15 117.00 115.50 3kde n LEU 33 Ca 0.01 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3kde n LEU 33 Cb 0.36 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3kde n LEU 33 CO 0.42 0.44 -0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3kde n GLY 34 N 1.65 0.62 3.20 -0.72 0.00 0.16 -4.89 105.19 105.22 3kde n GLY 34 Ca -0.25 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 3kde n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kde s SER 36 N -3.09 6.85 -0.04 0.00 1.04 -1.26 -4.46 113.70 112.73 3kde s SER 36 Ca 0.30 1.37 0.02 0.00 0.48 0.00 0.00 55.95 58.12 3kde s SER 36 Cb 0.07 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.80 3kde s SER 36 CO 0.06 -0.20 -0.07 -0.76 0.98 0.00 0.00 173.24 173.26 3kde s LEU 37 N -2.86 1.51 0.56 2.42 1.43 -1.26 -4.96 118.68 115.52 3kde s LEU 37 Ca 0.54 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3kde s LEU 37 Cb -0.11 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.60 3kde s LEU 37 CO 0.17 -0.01 0.80 -0.83 0.23 0.00 0.00 176.35 176.71 3kde s GLY 38 N 0.69 1.78 0.61 -3.19 0.00 -1.26 -4.98 107.32 100.97 3kde s GLY 38 Ca -0.11 -1.23 0.34 0.00 0.00 0.00 0.00 44.72 43.73 3kde s GLY 38 CO 0.01 -0.94 2.29 1.05 0.00 0.00 0.00 173.10 175.51 3kde h GLU 39 N 0.01 0.00 -0.39 2.90 4.11 -1.95 -1.33 114.58 117.94 3kde h GLU 39 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3kde h GLU 39 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3kde h GLU 39 CO 0.54 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.71 3kde n ASN 40 N -3.63 3.28 -4.78 3.06 5.03 -1.26 -4.78 115.26 112.18 3kde n ASN 40 Ca -0.03 -1.94 -0.35 0.00 0.87 0.00 0.00 54.58 53.14 3kde n ASN 40 Cb 0.08 -0.25 0.01 0.00 -1.02 0.00 0.00 39.78 38.59 3kde n ASN 40 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kde s SER 41 N -1.27 5.69 0.07 6.41 0.01 -0.50 -4.97 113.70 119.13 3kde s SER 41 Ca 0.35 2.12 0.03 0.00 1.31 0.00 0.00 55.95 59.76 3kde s SER 41 Cb 0.20 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3kde s SER 41 CO 0.27 -1.23 -0.10 -1.10 0.41 0.00 0.00 173.24 171.49 3kde s GLN 42 N -3.41 0.70 0.13 12.44 -0.21 -1.26 -2.39 119.66 125.65 3kde s GLN 42 Ca 0.71 -0.95 0.04 0.00 0.02 0.00 0.00 55.36 55.18 3kde s GLN 42 Cb -0.23 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.29 3kde s GLN 42 CO 0.29 0.08 -0.09 0.96 -2.12 0.00 0.00 175.29 174.40 3kde s ILE 43 N -1.83 1.03 0.39 1.08 -4.36 0.20 -1.04 121.20 116.66 3kde s ILE 43 Ca -0.02 -1.95 -0.27 0.00 -0.26 0.00 0.00 60.65 58.15 3kde s ILE 43 Cb -0.07 -1.71 -0.11 0.00 1.25 0.00 0.00 42.46 41.82 3kde s ILE 43 CO 0.00 -0.73 1.29 0.00 0.24 0.00 0.00 174.94 175.74 3kde h ASP 45 N 2.31 0.00 0.35 0.00 2.03 -0.87 -2.41 116.42 117.83 3kde h ASP 45 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3kde h ASP 45 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3kde h ASP 45 CO 0.61 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 179.17 3kde n THR 46 N -2.55 0.53 1.70 1.15 -2.24 -1.26 -1.71 114.28 109.90 3kde n THR 46 Ca 0.01 0.13 0.15 0.00 -2.27 0.00 0.00 64.05 62.07 3kde n THR 46 Cb 0.21 -0.85 0.74 0.00 -2.10 0.00 0.00 70.33 68.33 3kde n THR 46 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kde n HIS 47 N -1.31 0.00 -4.14 4.78 8.25 -0.91 -4.77 115.22 117.13 3kde n HIS 47 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.32 3kde n HIS 47 Cb 0.14 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 3kde n HIS 47 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3kde s PHE 48 N -2.10 3.06 0.31 4.41 0.08 -0.69 -0.24 117.98 122.81 3kde s PHE 48 Ca 0.41 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.37 3kde s PHE 48 Cb 0.21 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3kde s PHE 48 CO 0.38 0.53 0.47 0.54 -0.10 0.00 0.00 175.22 177.04 3kde s ASN 49 N -3.79 6.18 0.32 1.36 4.22 -1.26 -5.00 114.94 116.97 3kde s ASN 49 Ca 0.33 0.13 0.05 0.00 -2.14 0.00 0.00 52.86 51.23 3kde s ASN 49 Cb -0.08 -1.72 0.85 0.00 1.28 0.00 0.00 41.25 41.58 3kde s ASN 49 CO 0.24 -0.28 1.58 -0.78 -2.04 0.00 0.00 177.10 175.82 3kde h ASP 50 N 0.91 -0.27 0.40 3.54 3.58 -1.98 -1.56 116.42 121.04 3kde h ASP 50 Ca -0.49 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3kde h ASP 50 Cb 1.24 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.70 3kde h ASP 50 CO 0.59 -0.34 0.00 -1.54 -2.88 0.00 0.00 179.24 175.07 3kde n SER 51 N -5.41 0.27 -1.01 2.28 3.41 -1.26 -3.01 113.62 108.89 3kde n SER 51 Ca 0.25 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.56 3kde n SER 51 Cb 0.84 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 64.39 3kde n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kde n GLN 52 N -1.81 2.33 -3.97 4.33 6.02 -0.58 -4.90 117.38 118.79 3kde n GLN 52 Ca 0.02 -2.00 -0.35 0.00 -0.01 0.00 0.00 57.00 54.66 3kde n GLN 52 Cb 0.14 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 3kde n GLN 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3kde s TRP 53 N -1.62 3.50 0.65 1.08 0.52 -1.16 -0.72 118.94 121.18 3kde s TRP 53 Ca 0.36 0.40 -0.17 0.00 0.02 0.00 0.00 56.10 56.72 3kde s TRP 53 Cb 0.21 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.66 3kde s TRP 53 CO 0.31 0.66 1.18 0.15 0.02 0.00 0.00 176.95 179.27 3kde s LYS 54 N -1.35 2.68 0.79 4.98 1.02 -0.40 -4.71 119.74 122.75 3kde s LYS 54 Ca 0.19 1.71 -0.12 0.00 0.02 0.00 0.00 55.97 57.77 3kde s LYS 54 Cb -0.12 -1.91 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 3kde s LYS 54 CO 0.09 -1.40 1.15 0.00 -0.92 0.00 0.00 175.35 174.26 3kde s ALA 55 N -1.88 2.62 0.66 5.17 0.00 -1.26 -4.89 121.76 122.18 3kde s ALA 55 Ca 0.74 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.19 3kde s ALA 55 Cb -0.28 -2.99 0.10 0.00 0.00 0.00 0.00 23.12 19.95 3kde s ALA 55 CO 0.38 -1.58 0.91 0.00 0.00 0.00 0.00 175.76 175.48 3kde s ALA 56 N -3.47 3.90 -0.03 0.00 0.00 -1.26 -5.10 121.76 115.80 3kde s ALA 56 Ca 0.61 -1.70 0.21 0.00 0.00 0.00 0.00 51.96 51.07 3kde s ALA 56 Cb -0.12 -1.94 -0.32 0.00 0.00 0.00 0.00 23.12 20.75 3kde s ALA 56 CO 0.50 -1.21 0.44 1.63 0.00 0.00 0.00 175.76 177.13 3kde n LYS 59 N -2.63 0.63 -0.14 0.00 5.02 -1.26 -4.91 118.16 114.87 3kde n LYS 59 Ca 0.13 -0.18 0.04 0.00 -2.02 0.00 0.00 58.31 56.28 3kde n LYS 59 Cb 0.60 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 34.24 3kde n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kde n GLY 60 N 1.35 0.28 3.66 0.72 0.00 -1.26 -4.94 105.19 105.00 3kde n GLY 60 Ca -0.05 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3kde n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kde s GLN 61 N -1.66 4.17 0.06 1.61 -1.52 -1.26 -5.00 119.66 116.06 3kde s GLN 61 Ca 0.17 2.03 0.07 0.00 -1.95 0.00 0.00 55.36 55.68 3kde s GLN 61 Cb 0.09 -3.94 -0.03 0.00 -0.22 0.00 0.00 33.01 28.91 3kde s GLN 61 CO 0.11 -0.84 -0.15 -0.08 -0.25 0.00 0.00 175.29 174.09 3kde s THR 62 N 3.98 3.03 0.05 -0.19 -1.32 -1.26 -5.10 115.64 114.83 3kde s THR 62 Ca 0.69 -1.18 0.07 0.00 -1.21 0.00 0.00 61.69 60.06 3kde s THR 62 Cb -0.30 -2.32 -0.02 0.00 -1.51 0.00 0.00 72.50 68.34 3kde s THR 62 CO 0.26 0.28 -0.19 -0.36 -2.21 0.00 0.00 174.62 172.39 3kde s PHE 63 N -1.01 1.67 -0.12 9.09 0.08 -1.26 -5.01 117.98 121.41 3kde s PHE 63 Ca 0.17 -0.37 0.20 0.00 0.12 0.00 0.00 56.93 57.04 3kde s PHE 63 Cb -0.11 -0.99 -0.28 0.00 -0.57 0.00 0.00 43.02 41.07 3kde s PHE 63 CO 0.08 0.09 0.29 1.63 -0.10 0.00 0.00 175.22 177.20 3kde n LYS 64 N 1.80 0.67 -4.02 0.44 4.01 -1.26 -4.96 118.16 114.85 3kde n LYS 64 Ca -0.18 -0.07 -0.22 0.00 -0.51 0.00 0.00 58.31 57.33 3kde n LYS 64 Cb 0.54 -1.54 -0.17 0.00 -0.51 0.00 0.00 35.03 33.35 3kde n LYS 64 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3kde s ARG 65 N -2.95 0.84 0.24 1.97 0.52 -1.26 -5.13 118.95 113.19 3kde s ARG 65 Ca -0.09 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 3kde s ARG 65 Cb 0.09 -0.97 -0.09 0.00 0.52 0.00 0.00 34.95 34.51 3kde s ARG 65 CO 0.86 -0.17 1.08 0.50 0.02 0.00 0.00 175.30 177.59 3kde s ARG 66 N 1.34 4.66 -0.03 3.54 3.52 -1.26 -5.05 118.95 125.67 3kde s ARG 66 Ca -0.04 1.74 0.06 0.00 -0.13 0.00 0.00 55.73 57.36 3kde s ARG 66 Cb -0.13 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 3kde s ARG 66 CO -0.02 0.21 -0.22 1.03 -0.81 0.00 0.00 175.30 175.49 3kde s ARG 67 N -1.09 1.94 0.56 5.12 1.81 -1.26 -5.09 118.95 120.94 3kde s ARG 67 Ca 0.45 -0.79 -0.18 0.00 -1.72 0.00 0.00 55.73 53.49 3kde s ARG 67 Cb -0.30 -1.80 -0.05 0.00 -0.45 0.00 0.00 34.95 32.35 3kde s ARG 67 CO 0.38 0.43 1.09 -0.51 -0.68 0.00 0.00 175.30 176.01 3kde s LEU 68 N -0.37 3.66 0.24 2.53 1.43 -1.26 -1.27 118.68 123.63 3kde s LEU 68 Ca 0.05 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 3kde s LEU 68 Cb -0.10 -4.56 -0.15 0.00 0.03 0.00 0.00 46.19 41.41 3kde s LEU 68 CO 0.00 -1.19 1.08 0.59 0.23 0.00 0.00 176.35 177.06 3kde n ASN 69 N -1.56 1.32 0.25 2.29 3.02 0.11 -4.58 115.26 116.10 3kde n ASN 69 Ca 0.10 1.16 0.09 0.00 -0.03 0.00 0.00 54.58 55.91 3kde n ASN 69 Cb 0.52 -1.26 0.64 0.00 -0.61 0.00 0.00 39.78 39.07 3kde n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kde h ALA 70 N 2.63 1.53 -0.00 5.41 0.00 -1.96 -0.67 119.26 126.20 3kde h ALA 70 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kde h ALA 70 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kde h ALA 70 CO 0.65 0.16 -0.04 -0.40 0.00 0.00 0.00 179.25 179.62 3kde n ASP 71 N -4.01 0.04 -4.73 0.00 5.68 -1.26 -4.93 116.55 107.34 3kde n ASP 71 Ca -0.02 0.44 -0.42 0.00 -0.50 0.00 0.00 54.79 54.28 3kde n ASP 71 Cb 0.22 -0.44 -0.03 0.00 -1.14 0.00 0.00 41.12 39.73 3kde n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kde s ALA 72 N -3.00 3.74 -0.07 2.12 0.00 -0.26 -5.01 121.76 119.28 3kde s ALA 72 Ca 0.14 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.50 3kde s ALA 72 Cb 0.19 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3kde s ALA 72 CO 0.54 -0.78 -0.19 0.08 0.00 0.00 0.00 175.76 175.42 3kde s VAL 73 N 0.84 1.61 0.74 0.00 1.01 -1.26 -5.02 120.40 118.32 3kde s VAL 73 Ca 0.67 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3kde s VAL 73 Cb -0.43 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.58 3kde s VAL 73 CO 0.35 0.46 1.08 -2.16 0.00 0.00 0.00 175.10 174.82 3kde s PRO 74 N 0.31 2.54 0.17 2.72 0.04 -1.26 -4.94 135.00 134.58 3kde s PRO 74 Ca -0.12 0.93 0.10 0.00 0.04 0.00 0.00 61.00 61.95 3kde s PRO 74 Cb -0.15 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3kde s PRO 74 CO 0.05 -1.38 -0.19 0.45 0.04 0.00 0.00 177.00 175.97 3kde s SER 75 N -3.71 3.74 0.00 6.66 0.15 0.67 -4.64 113.70 116.57 3kde s SER 75 Ca 0.59 -0.73 0.24 0.00 0.70 0.00 0.00 55.95 56.76 3kde s SER 75 Cb -0.15 -0.43 1.17 0.00 -1.71 0.00 0.00 66.02 64.90 3kde s SER 75 CO 0.55 0.13 1.79 1.17 1.20 0.00 0.00 173.24 178.08 3kde n LYS 76 N 0.33 0.26 0.00 5.44 4.81 -1.26 -4.79 118.16 122.94 3kde n LYS 76 Ca -0.13 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3kde n LYS 76 Cb 0.55 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.10 3kde n LYS 76 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85