#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk8 n GLY 2 N 0.00 5.72 3.41 -5.12 0.00 -1.26 -4.92 105.19 103.02 2kk8 n GLY 2 Ca 0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 2kk8 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk8 n HIS 3 N -0.93 4.47 -3.94 1.61 -0.00 -1.26 -4.88 115.22 110.29 2kk8 n HIS 3 Ca 0.35 -2.92 -0.11 0.00 -0.00 0.00 0.00 57.72 55.04 2kk8 n HIS 3 Cb 0.87 -2.56 -0.13 0.00 -0.00 0.00 0.00 29.99 28.17 2kk8 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 4 N 3.66 0.18 0.23 4.41 4.02 -1.26 -5.05 115.29 121.47 2kk8 s HIS 4 Ca 0.51 -0.27 -0.03 0.00 1.02 0.00 0.00 55.06 56.29 2kk8 s HIS 4 Cb 0.05 -0.12 0.22 0.00 -1.02 0.00 0.00 32.58 31.71 2kk8 s HIS 4 CO 0.04 -0.09 1.64 1.25 1.02 0.00 0.00 174.74 178.60 2kk8 h HIS 5 N 5.37 0.80 -3.59 1.40 -0.00 -2.03 -3.33 115.15 113.78 2kk8 h HIS 5 Ca -0.28 -0.19 -0.78 0.00 -0.00 0.00 0.00 60.37 59.12 2kk8 h HIS 5 Cb 1.21 -0.19 -0.25 0.00 -0.00 0.00 0.00 27.41 28.18 2kk8 h HIS 5 CO 0.54 0.88 0.26 -1.01 -0.00 0.00 0.00 177.93 178.60 2kk8 s HIS 6 N -4.55 3.75 0.00 5.26 0.09 -1.26 -4.64 115.29 113.94 2kk8 s HIS 6 Ca -0.09 -2.02 0.00 0.00 -0.00 0.00 0.00 55.06 52.95 2kk8 s HIS 6 Cb 0.13 -3.89 0.00 0.00 -0.00 0.00 0.00 32.58 28.82 2kk8 s HIS 6 CO 0.83 -1.05 0.00 1.58 -0.00 0.00 0.00 174.74 176.09 2kk8 n HIS 7 N 4.15 0.00 -3.53 1.40 -0.00 -1.25 -4.86 115.22 111.12 2kk8 n HIS 7 Ca 0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 2kk8 n HIS 7 Cb 0.46 0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 30.40 2kk8 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 8 N -1.73 3.65 -0.01 1.57 0.09 -1.26 -4.82 115.29 112.78 2kk8 s HIS 8 Ca 0.00 -2.45 0.01 0.00 -0.00 0.00 0.00 55.06 52.62 2kk8 s HIS 8 Cb 0.00 -3.50 -0.01 0.00 -0.00 0.00 0.00 32.58 29.07 2kk8 s HIS 8 CO 0.00 -0.90 0.01 0.45 -0.00 0.00 0.00 174.74 174.30 2kk8 n SER 9 N 3.51 4.82 -4.44 1.40 2.88 -1.26 -4.89 113.62 115.63 2kk8 n SER 9 Ca 0.13 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.23 2kk8 n SER 9 Cb 0.42 0.62 -0.04 0.00 -0.75 0.00 0.00 64.21 64.46 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kk8 s HIS 10 N -2.03 2.81 -0.14 0.66 0.09 -1.26 -2.34 115.29 113.08 2kk8 s HIS 10 Ca -0.00 -0.78 -0.04 0.00 -0.00 0.00 0.00 55.06 54.23 2kk8 s HIS 10 Cb 0.00 -4.26 -0.03 0.00 -0.00 0.00 0.00 32.58 28.29 2kk8 s HIS 10 CO 0.03 -1.57 0.02 -1.64 -0.00 0.00 0.00 174.74 171.57 2kk8 s MET 11 N 3.60 3.54 -0.32 1.40 1.00 0.14 -4.87 119.30 123.80 2kk8 s MET 11 Ca 0.23 -0.41 -0.20 0.00 0.00 0.00 0.00 55.69 55.32 2kk8 s MET 11 Cb -0.15 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 31.68 2kk8 s MET 11 CO 0.05 0.43 0.60 0.15 0.00 0.00 0.00 175.02 176.25 2kk8 s LYS 12 N -0.10 3.82 -0.05 2.03 1.02 -1.26 -0.33 119.74 124.86 2kk8 s LYS 12 Ca 0.05 0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.24 2kk8 s LYS 12 Cb -0.13 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 2kk8 s LYS 12 CO 0.02 -0.61 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.10 2kk8 s PHE 13 N 2.58 2.69 -0.51 3.18 -0.71 -0.69 -4.93 117.98 119.59 2kk8 s PHE 13 Ca 0.24 -0.19 -0.27 0.00 -1.04 0.00 0.00 56.93 55.67 2kk8 s PHE 13 Cb -0.15 -1.63 -0.01 0.00 -1.21 0.00 0.00 43.02 40.02 2kk8 s PHE 13 CO 0.13 0.16 1.74 -1.17 -1.34 0.00 0.00 175.22 174.74 2kk8 s LEU 14 N -0.70 3.39 -1.00 -1.99 2.96 -1.26 -2.90 118.68 117.18 2kk8 s LEU 14 Ca 0.11 0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 54.44 2kk8 s LEU 14 Cb -0.11 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.65 2kk8 s LEU 14 CO 0.01 -2.01 1.50 -0.69 -1.32 0.00 0.00 176.35 173.83 2kk8 s VAL 15 N 7.70 3.87 -0.73 1.68 1.01 -0.11 -4.77 120.40 129.04 2kk8 s VAL 15 Ca 0.68 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 2kk8 s VAL 15 Cb -0.15 -4.95 0.05 0.00 0.00 0.00 0.00 36.38 31.33 2kk8 s VAL 15 CO 0.26 -1.84 1.14 -0.70 0.00 0.00 0.00 175.10 173.97 2kk8 s GLU 16 N 5.20 3.20 0.02 2.72 2.12 -1.21 -1.79 118.70 128.96 2kk8 s GLU 16 Ca 0.48 -0.64 -0.26 0.00 0.36 0.00 0.00 54.97 54.91 2kk8 s GLU 16 Cb -0.01 -4.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.02 2kk8 s GLU 16 CO -0.08 -1.99 0.82 1.21 -0.54 0.00 0.00 175.26 174.67 2kk8 s ASN 17 N 3.79 7.23 0.09 -1.70 3.84 -1.25 -0.15 114.94 126.79 2kk8 s ASN 17 Ca 0.30 1.48 -0.34 0.00 0.21 0.00 0.00 52.86 54.51 2kk8 s ASN 17 Cb -0.11 -2.49 -0.16 0.00 -0.55 0.00 0.00 41.25 37.93 2kk8 s ASN 17 CO 0.10 -0.07 1.58 0.25 -2.79 0.00 0.00 177.10 176.17 2kk8 h LEU 18 N 6.09 -1.18 0.00 3.21 5.85 -1.50 -3.27 115.31 124.52 2kk8 h LEU 18 Ca -0.43 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2kk8 h LEU 18 Cb 1.21 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2kk8 h LEU 18 CO 0.73 -0.62 -1.72 -3.20 -0.34 0.00 0.00 178.44 173.28 2kk8 n ASN 19 N -5.54 0.24 0.00 1.25 2.85 -1.26 -4.93 115.26 107.87 2kk8 n ASN 19 Ca -0.12 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 2kk8 n ASN 19 Cb 0.43 1.55 0.00 0.00 1.24 0.00 0.00 39.78 43.01 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kk8 n GLY 20 N 1.24 1.15 3.14 8.20 0.00 -1.23 -5.10 105.19 112.59 2kk8 n GLY 20 Ca -0.03 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 2kk8 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kk8 s SER 21 N -1.00 1.74 -0.39 1.61 0.01 -1.26 -4.78 113.70 109.62 2kk8 s SER 21 Ca 0.00 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 2kk8 s SER 21 Cb 0.00 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.09 2kk8 s SER 21 CO 0.00 0.10 1.44 -0.44 0.41 0.00 0.00 173.24 174.74 2kk8 s SER 22 N -0.85 6.33 -0.05 2.44 0.01 -1.25 -3.96 113.70 116.37 2kk8 s SER 22 Ca 0.04 0.91 0.02 0.00 1.31 0.00 0.00 55.95 58.23 2kk8 s SER 22 Cb -0.07 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2kk8 s SER 22 CO 0.01 -1.42 -0.10 0.12 0.41 0.00 0.00 173.24 172.25 2kk8 s PHE 23 N 5.46 2.83 -0.86 2.43 5.36 -0.74 -4.85 117.98 127.61 2kk8 s PHE 23 Ca 0.63 -0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 56.28 2kk8 s PHE 23 Cb -0.15 -1.66 0.03 0.00 -0.34 0.00 0.00 43.02 40.91 2kk8 s PHE 23 CO 0.32 0.29 1.41 -1.21 -1.46 0.00 0.00 175.22 174.56 2kk8 s GLU 24 N -0.91 3.30 -0.24 10.12 2.02 -1.26 -0.93 118.70 130.80 2kk8 s GLU 24 Ca 0.13 -0.56 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 2kk8 s GLU 24 Cb -0.11 -4.71 -0.04 0.00 0.10 0.00 0.00 34.13 29.36 2kk8 s GLU 24 CO 0.02 -2.25 0.13 -1.17 0.02 0.00 0.00 175.26 172.01 2kk8 s LEU 25 N 5.77 3.88 -0.39 1.80 0.20 -1.14 -4.93 118.68 123.87 2kk8 s LEU 25 Ca 0.43 0.00 -0.20 0.00 0.69 0.00 0.00 54.13 55.05 2kk8 s LEU 25 Cb -0.05 -2.04 0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2kk8 s LEU 25 CO 0.04 0.04 0.60 -0.70 -0.29 0.00 0.00 176.35 176.04 2kk8 s GLU 26 N 1.22 3.48 0.18 1.98 2.12 -1.26 -1.70 118.70 124.73 2kk8 s GLU 26 Ca 0.06 -0.21 0.10 0.00 0.36 0.00 0.00 54.97 55.29 2kk8 s GLU 26 Cb -0.14 -3.87 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 2kk8 s GLU 26 CO 0.05 -0.82 -0.18 0.54 -0.54 0.00 0.00 175.26 174.31 2kk8 s VAL 27 N 2.64 2.72 0.14 3.70 0.11 0.55 -4.88 120.40 125.38 2kk8 s VAL 27 Ca 0.22 -1.86 0.06 0.00 -2.93 0.00 0.00 61.98 57.47 2kk8 s VAL 27 Cb -0.15 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 2kk8 s VAL 27 CO 0.16 -0.10 0.04 -0.62 -3.33 0.00 0.00 175.10 171.24 2kk8 s ASP 28 N -2.71 5.07 0.28 3.54 -1.08 -1.26 0.27 116.67 120.78 2kk8 s ASP 28 Ca 0.22 -0.24 0.22 0.00 -0.52 0.00 0.00 52.55 52.24 2kk8 s ASP 28 Cb -0.08 -1.20 1.05 0.00 -1.46 0.00 0.00 42.92 41.22 2kk8 s ASP 28 CO 0.12 0.12 1.66 -1.22 0.52 0.00 0.00 175.17 176.37 2kk8 n TYR 29 N 0.11 0.74 0.17 -5.34 4.01 -0.99 -0.93 117.16 114.93 2kk8 n TYR 29 Ca -0.10 0.34 0.05 0.00 -0.16 0.00 0.00 57.90 58.04 2kk8 n TYR 29 Cb 0.54 -1.05 0.21 0.00 -0.31 0.00 0.00 39.34 38.73 2kk8 n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2kk8 h ARG 30 N 0.00 0.00 -6.84 -0.72 2.43 -1.94 -1.15 114.38 106.16 2kk8 h ARG 30 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2kk8 h ARG 30 Cb 0.16 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2kk8 h ARG 30 CO 0.00 0.39 0.65 -0.51 -1.51 0.00 0.00 179.97 179.00 2kk8 s ASP 31 N -6.39 6.79 0.27 -3.80 1.01 -0.11 -4.82 116.67 109.62 2kk8 s ASP 31 Ca 0.02 2.64 -0.21 0.00 0.71 0.00 0.00 52.55 55.71 2kk8 s ASP 31 Cb 0.09 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 2kk8 s ASP 31 CO 0.70 -0.54 0.79 -0.89 0.21 0.00 0.00 175.17 175.44 2kk8 s THR 32 N -0.84 4.48 0.17 -1.27 2.01 -1.26 -1.26 115.64 117.66 2kk8 s THR 32 Ca 0.51 1.40 -0.15 0.00 0.31 0.00 0.00 61.69 63.77 2kk8 s THR 32 Cb -0.39 -3.86 0.05 0.00 0.01 0.00 0.00 72.50 68.30 2kk8 s THR 32 CO 0.49 0.12 1.83 -0.07 -0.69 0.00 0.00 174.62 176.31 2kk8 h LEU 33 N 3.16 0.54 -2.29 4.42 3.38 -1.21 0.21 115.31 123.52 2kk8 h LEU 33 Ca -0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2kk8 h LEU 33 Cb 1.19 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2kk8 h LEU 33 CO 0.65 0.39 -0.05 0.25 0.09 0.00 0.00 178.44 179.77 2kk8 h LEU 34 N 0.64 0.00 0.05 1.67 5.85 -1.20 -1.02 115.31 121.31 2kk8 h LEU 34 Ca 0.18 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 2kk8 h LEU 34 Cb -0.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.97 2kk8 h LEU 34 CO -0.04 0.05 -0.39 0.58 -0.34 0.00 0.00 178.44 178.30 2kk8 h VAL 35 N 0.00 1.62 0.00 1.05 2.07 -1.32 -3.29 116.25 116.37 2kk8 h VAL 35 Ca -0.00 -2.32 -0.04 0.00 0.82 0.00 0.00 66.70 65.15 2kk8 h VAL 35 Cb 0.18 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2kk8 h VAL 35 CO 0.01 0.63 -0.21 1.62 0.02 0.00 0.00 177.57 179.64 2kk8 h VAL 36 N -0.62 0.78 -0.93 2.57 3.04 -0.67 -1.78 116.25 118.64 2kk8 h VAL 36 Ca -0.06 -0.86 0.06 0.00 -1.01 0.00 0.00 66.70 64.83 2kk8 h VAL 36 Cb 1.26 1.52 -0.06 0.00 -2.01 0.00 0.00 31.29 32.00 2kk8 h VAL 36 CO 0.07 0.21 0.61 0.11 -1.01 0.00 0.00 177.57 177.56 2kk8 h LYS 37 N 0.00 1.05 -0.45 4.17 1.79 -1.27 0.15 116.57 122.00 2kk8 h LYS 37 Ca -0.00 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.28 2kk8 h LYS 37 Cb 0.50 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2kk8 h LYS 37 CO 0.03 0.69 -0.21 1.96 -1.08 0.00 0.00 179.45 180.84 2kk8 h GLN 38 N 1.08 0.94 -0.63 3.15 4.20 -1.40 0.37 115.11 122.82 2kk8 h GLN 38 Ca 0.40 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2kk8 h GLN 38 Cb 0.18 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2kk8 h GLN 38 CO -0.15 1.07 0.23 0.87 -0.67 0.00 0.00 178.83 180.18 2kk8 h LYS 39 N 0.78 0.93 -0.25 1.46 1.57 -1.14 -2.25 116.57 117.68 2kk8 h LYS 39 Ca 0.10 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 2kk8 h LYS 39 Cb 0.78 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2kk8 h LYS 39 CO 0.06 0.77 -0.50 0.82 -0.57 0.00 0.00 179.45 180.04 2kk8 h ILE 40 N 0.91 1.29 -0.52 1.86 2.04 -0.52 -3.19 117.51 119.38 2kk8 h ILE 40 Ca 0.21 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 64.41 2kk8 h ILE 40 Cb 0.21 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2kk8 h ILE 40 CO -0.02 0.54 0.27 -0.08 0.00 0.00 0.00 178.15 178.87 2kk8 h GLU 41 N 0.54 0.52 0.00 2.37 4.81 -0.54 0.44 114.58 122.72 2kk8 h GLU 41 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kk8 h GLU 41 Cb 1.11 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2kk8 h GLU 41 CO 0.11 0.34 0.00 -0.09 -0.73 0.00 0.00 179.01 178.65 2kk8 h ARG 42 N 0.54 0.00 0.00 1.92 2.43 -1.47 0.22 114.38 118.02 2kk8 h ARG 42 Ca 0.22 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.06 2kk8 h ARG 42 Cb 0.11 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 2kk8 h ARG 42 CO -0.14 0.00 -1.94 0.45 -1.51 0.00 0.00 179.97 176.83 2kk8 n SER 43 N -2.98 1.92 0.10 -3.80 2.88 -0.47 -4.48 113.62 106.79 2kk8 n SER 43 Ca 0.00 0.38 0.13 0.00 -1.33 0.00 0.00 58.87 58.05 2kk8 n SER 43 Cb 0.25 -0.86 0.33 0.00 -0.75 0.00 0.00 64.21 63.18 2kk8 n SER 43 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kk8 h GLN 44 N -1.00 0.00 -0.06 -1.46 1.08 -0.17 -3.47 115.11 110.03 2kk8 h GLN 44 Ca -0.51 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 2kk8 h GLN 44 Cb 1.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 2kk8 h GLN 44 CO -0.31 0.00 -0.02 0.72 -0.95 0.00 0.00 178.83 178.27 2kk8 n HIS 45 N -2.26 0.00 -4.05 2.96 8.25 0.77 -4.95 115.22 115.94 2kk8 n HIS 45 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 2kk8 n HIS 45 Cb 0.44 -1.13 -0.11 0.00 1.12 0.00 0.00 29.99 30.31 2kk8 n HIS 45 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2kk8 s ILE 46 N -1.60 4.46 0.65 1.59 -4.36 -1.24 -5.03 121.20 115.68 2kk8 s ILE 46 Ca 0.00 -0.14 -0.17 0.00 -0.26 0.00 0.00 60.65 60.07 2kk8 s ILE 46 Cb 0.00 -3.01 -0.02 0.00 1.25 0.00 0.00 42.46 40.67 2kk8 s ILE 46 CO 0.00 0.44 1.04 -2.65 0.24 0.00 0.00 174.94 174.01 2kk8 n PRO 47 N 3.84 0.81 -0.29 0.37 -0.02 -1.26 -4.28 135.00 134.17 2kk8 n PRO 47 Ca -0.17 0.33 0.19 0.00 -2.02 0.00 0.00 63.50 61.83 2kk8 n PRO 47 Cb 0.52 -2.27 0.47 0.00 -0.02 0.00 0.00 33.50 32.20 2kk8 n PRO 47 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kk8 h VAL 48 N 0.25 0.64 -0.02 -1.45 2.07 -1.95 0.26 116.25 116.04 2kk8 h VAL 48 Ca -0.49 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2kk8 h VAL 48 Cb 1.35 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2kk8 h VAL 48 CO 0.50 0.09 0.00 -1.20 0.02 0.00 0.00 177.57 176.98 2kk8 n SER 49 N -4.60 0.21 0.00 0.57 7.64 -1.26 -2.96 113.62 113.22 2kk8 n SER 49 Ca 0.22 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.66 2kk8 n SER 49 Cb 0.73 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2kk8 n SER 49 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kk8 n LYS 50 N -0.66 1.89 -3.30 1.43 5.02 0.88 -4.94 118.16 118.48 2kk8 n LYS 50 Ca 0.15 -1.14 -0.46 0.00 -2.02 0.00 0.00 58.31 54.84 2kk8 n LYS 50 Cb 0.10 -0.86 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2kk8 n LYS 50 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kk8 s GLN 51 N -0.65 3.00 -0.57 1.97 -0.21 -0.99 -0.57 119.66 121.63 2kk8 s GLN 51 Ca 0.00 -1.62 -0.28 0.00 0.02 0.00 0.00 55.36 53.48 2kk8 s GLN 51 Cb 0.00 -4.28 0.03 0.00 1.00 0.00 0.00 33.01 29.76 2kk8 s GLN 51 CO 0.00 -1.32 1.17 0.99 -2.12 0.00 0.00 175.29 174.01 2kk8 s THR 52 N 1.73 4.06 -0.96 -0.19 2.01 -1.00 -4.96 115.64 116.32 2kk8 s THR 52 Ca 0.04 0.86 -0.24 0.00 0.31 0.00 0.00 61.69 62.67 2kk8 s THR 52 Cb -0.29 -4.71 0.02 0.00 0.01 0.00 0.00 72.50 67.54 2kk8 s THR 52 CO 0.04 -1.31 1.58 -0.76 -0.69 0.00 0.00 174.62 173.48 2kk8 s LEU 53 N 4.85 3.38 -0.51 4.42 1.43 -1.26 -2.62 118.68 128.37 2kk8 s LEU 53 Ca 0.42 -1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.18 2kk8 s LEU 53 Cb -0.08 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.62 2kk8 s LEU 53 CO 0.25 -1.88 0.82 -0.63 0.23 0.00 0.00 176.35 175.14 2kk8 s ILE 54 N 6.49 4.58 -0.35 -0.59 1.01 -0.75 -0.22 121.20 131.37 2kk8 s ILE 54 Ca 0.52 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 2kk8 s ILE 54 Cb -0.03 -4.42 0.08 0.00 0.01 0.00 0.00 42.46 38.10 2kk8 s ILE 54 CO -0.05 -0.93 0.09 -0.69 0.00 0.00 0.00 174.94 173.37 2kk8 s VAL 55 N 3.45 3.15 -1.88 2.92 1.01 0.94 -1.10 120.40 128.89 2kk8 s VAL 55 Ca 0.27 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2kk8 s VAL 55 Cb -0.14 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2kk8 s VAL 55 CO 0.18 -0.37 0.00 0.47 0.00 0.00 0.00 175.10 175.38 2kk8 n ASP 56 N 4.61 -5.71 0.00 3.32 8.00 0.12 -1.36 116.55 125.53 2kk8 n ASP 56 Ca -0.08 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2kk8 n ASP 56 Cb 0.43 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk8 n GLY 57 N -0.83 2.70 3.73 0.44 0.00 -1.26 -5.02 105.19 104.96 2kk8 n GLY 57 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2kk8 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kk8 s ILE 58 N -2.70 5.05 -0.16 -0.61 -1.09 -0.47 -5.00 121.20 116.22 2kk8 s ILE 58 Ca 0.00 1.22 -0.27 0.00 -2.23 0.00 0.00 60.65 59.37 2kk8 s ILE 58 Cb 0.00 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 2kk8 s ILE 58 CO 0.00 0.33 0.92 0.54 -1.23 0.00 0.00 174.94 175.50 2kk8 s VAL 59 N 0.42 4.81 -0.47 2.92 0.11 -1.26 -0.04 120.40 126.89 2kk8 s VAL 59 Ca 0.32 1.83 -0.21 0.00 -2.93 0.00 0.00 61.98 60.98 2kk8 s VAL 59 Cb -0.17 -4.22 0.03 0.00 -1.53 0.00 0.00 36.38 30.49 2kk8 s VAL 59 CO 0.15 -0.02 0.72 -0.63 -3.33 0.00 0.00 175.10 171.99 2kk8 s ILE 60 N 2.33 4.73 -0.87 7.04 -1.09 0.69 -4.85 121.20 129.18 2kk8 s ILE 60 Ca 0.42 0.09 0.16 0.00 -2.23 0.00 0.00 60.65 59.10 2kk8 s ILE 60 Cb -0.17 -4.30 -0.16 0.00 -1.58 0.00 0.00 42.46 36.25 2kk8 s ILE 60 CO 0.13 -0.75 0.72 0.18 -1.23 0.00 0.00 174.94 173.99 2kk8 n LEU 61 N 6.54 0.88 -4.14 2.97 4.77 -1.26 -4.45 117.00 122.32 2kk8 n LEU 61 Ca -0.01 -0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 55.01 2kk8 n LEU 61 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2kk8 n LEU 61 CO 0.56 0.21 2.05 0.54 -1.33 0.00 0.00 177.39 179.43 2kk8 n ARG 62 N -1.25 3.24 -0.00 3.23 5.12 -1.26 -4.65 116.66 121.09 2kk8 n ARG 62 Ca 0.04 -3.27 0.15 0.00 -1.93 0.00 0.00 57.85 52.83 2kk8 n ARG 62 Cb 0.27 -3.20 0.69 0.00 -1.16 0.00 0.00 32.46 29.06 2kk8 n ARG 62 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kk8 n GLU 63 N 6.04 1.39 0.04 5.56 1.02 -1.26 -3.24 120.64 130.19 2kk8 n GLU 63 Ca 0.45 -0.57 0.11 0.00 -0.02 0.00 0.00 57.16 57.14 2kk8 n GLU 63 Cb 0.41 -1.48 0.46 0.00 -0.02 0.00 0.00 31.44 30.81 2kk8 n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kk8 n ASP 64 N -0.31 0.28 -4.95 1.62 2.03 -1.26 -0.80 116.55 113.15 2kk8 n ASP 64 Ca 0.21 0.54 -0.23 0.00 0.52 0.00 0.00 54.79 55.83 2kk8 n ASP 64 Cb 0.25 -0.61 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 2kk8 n ASP 64 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kk8 s LEU 65 N -3.56 3.56 0.34 -2.67 1.43 -1.20 -4.89 118.68 111.68 2kk8 s LEU 65 Ca 0.10 0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 2kk8 s LEU 65 Cb 0.13 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 2kk8 s LEU 65 CO 0.44 -0.80 0.62 -0.89 0.23 0.00 0.00 176.35 175.95 2kk8 s THR 66 N -2.62 4.98 0.29 5.49 2.01 -1.26 -1.12 115.64 123.41 2kk8 s THR 66 Ca 0.50 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2kk8 s THR 66 Cb -0.10 -3.77 0.28 0.00 0.01 0.00 0.00 72.50 68.92 2kk8 s THR 66 CO 0.38 -0.45 1.90 0.58 -0.69 0.00 0.00 174.62 176.34 2kk8 h VAL 67 N 1.10 1.07 -0.78 3.82 2.07 -1.24 -1.29 116.25 121.00 2kk8 h VAL 67 Ca -0.48 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 2kk8 h VAL 67 Cb 1.19 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2kk8 h VAL 67 CO 0.65 0.20 0.28 -0.08 0.02 0.00 0.00 177.57 178.64 2kk8 h GLU 68 N 1.10 1.19 0.00 1.57 4.81 -1.46 -1.10 114.58 120.69 2kk8 h GLU 68 Ca 0.41 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2kk8 h GLU 68 Cb 0.19 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2kk8 h GLU 68 CO -0.16 0.98 -0.20 1.96 -0.73 0.00 0.00 179.01 180.86 2kk8 h GLN 69 N 1.15 0.00 -0.00 1.92 4.20 -1.53 -1.45 115.11 119.40 2kk8 h GLN 69 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2kk8 h GLN 69 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2kk8 h GLN 69 CO -0.02 0.20 -0.81 0.00 -0.67 0.00 0.00 178.83 177.53 2kk8 n GLN 71 N -1.49 -6.25 -1.85 0.00 6.02 -0.44 -4.86 117.38 108.51 2kk8 n GLN 71 Ca 0.05 0.68 -0.43 0.00 -0.01 0.00 0.00 57.00 57.29 2kk8 n GLN 71 Cb 0.33 -5.59 -0.03 0.00 1.02 0.00 0.00 30.24 25.97 2kk8 n GLN 71 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kk8 s ILE 72 N -3.35 3.29 0.17 5.09 1.01 -1.06 -4.96 121.20 121.40 2kk8 s ILE 72 Ca 0.54 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 61.24 2kk8 s ILE 72 Cb -0.26 -3.40 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 2kk8 s ILE 72 CO 0.79 -0.27 0.77 0.68 0.00 0.00 0.00 174.94 176.92 2kk8 s VAL 73 N 7.62 4.39 -1.16 2.92 -7.23 -1.26 -4.95 120.40 120.73 2kk8 s VAL 73 Ca 0.87 1.65 0.14 0.00 -1.81 0.00 0.00 61.98 62.83 2kk8 s VAL 73 Cb -0.26 -4.10 0.16 0.00 0.56 0.00 0.00 36.38 32.75 2kk8 s VAL 73 CO 0.34 0.48 1.41 -0.81 -0.31 0.00 0.00 175.10 176.20 2kk8 n PRO 74 N 1.46 0.07 -0.02 4.82 -0.04 -1.26 -1.64 135.00 138.40 2kk8 n PRO 74 Ca -0.05 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2kk8 n PRO 74 Cb 0.49 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 2kk8 n PRO 74 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kk8 n THR 75 N -1.42 0.05 -2.14 0.52 5.66 -1.26 -4.67 114.28 111.02 2kk8 n THR 75 Ca 0.05 -0.41 -0.33 0.00 -3.05 0.00 0.00 64.05 60.31 2kk8 n THR 75 Cb 0.14 1.01 -0.00 0.00 -1.55 0.00 0.00 70.33 69.93 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2kk8 s SER 76 N -1.94 5.97 -0.85 1.09 0.15 -0.65 -4.96 113.70 112.51 2kk8 s SER 76 Ca 0.33 1.78 -0.25 0.00 0.70 0.00 0.00 55.95 58.51 2kk8 s SER 76 Cb 0.20 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2kk8 s SER 76 CO 0.31 -1.03 1.34 -0.62 1.20 0.00 0.00 173.24 174.44 2kk8 s ASP 77 N -2.78 6.30 -0.37 5.45 2.15 -1.26 -4.91 116.67 121.26 2kk8 s ASP 77 Ca 0.63 -0.89 -0.05 0.00 0.43 0.00 0.00 52.55 52.67 2kk8 s ASP 77 Cb -0.15 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 39.98 2kk8 s ASP 77 CO 0.35 -1.69 0.14 -0.63 -0.17 0.00 0.00 175.17 173.17 2kk8 s ILE 78 N 5.35 3.57 0.02 4.11 1.01 -1.25 0.15 121.20 134.17 2kk8 s ILE 78 Ca 0.39 -1.49 0.08 0.00 0.00 0.00 0.00 60.65 59.63 2kk8 s ILE 78 Cb -0.05 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 2kk8 s ILE 78 CO 0.04 -0.37 -0.24 -1.58 0.00 0.00 0.00 174.94 172.79 2kk8 s GLN 79 N 1.31 1.76 -0.45 2.79 0.74 -0.26 -3.33 119.66 122.22 2kk8 s GLN 79 Ca 0.01 -0.96 -0.14 0.00 0.05 0.00 0.00 55.36 54.32 2kk8 s GLN 79 Cb -0.21 -1.82 0.07 0.00 1.10 0.00 0.00 33.01 32.14 2kk8 s GLN 79 CO -0.00 0.48 0.35 -0.51 -0.55 0.00 0.00 175.29 175.06 2kk8 s LEU 80 N -0.94 5.43 -0.54 3.68 1.43 0.79 -1.80 118.68 126.73 2kk8 s LEU 80 Ca 0.10 -1.34 -0.26 0.00 -1.03 0.00 0.00 54.13 51.60 2kk8 s LEU 80 Cb -0.09 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.04 2kk8 s LEU 80 CO 0.01 -0.59 1.06 -0.70 0.23 0.00 0.00 176.35 176.35 2kk8 s GLU 81 N 1.58 3.48 -0.31 1.70 2.12 -1.08 -1.10 118.70 125.10 2kk8 s GLU 81 Ca 0.04 0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.19 2kk8 s GLU 81 Cb -0.23 -4.00 -0.02 0.00 0.26 0.00 0.00 34.13 30.14 2kk8 s GLU 81 CO 0.06 -1.50 1.84 0.54 -0.54 0.00 0.00 175.26 175.65 2kk8 s VAL 82 N 4.36 3.43 -1.21 3.70 0.11 -1.26 -2.39 120.40 127.14 2kk8 s VAL 82 Ca 0.38 0.44 -0.18 0.00 -2.93 0.00 0.00 61.98 59.70 2kk8 s VAL 82 Cb -0.09 -3.57 0.10 0.00 -1.53 0.00 0.00 36.38 31.28 2kk8 s VAL 82 CO 0.24 -0.35 1.58 -0.55 -3.33 0.00 0.00 175.10 172.68 2kk8 s SER 83 N 6.22 6.83 0.00 3.54 0.15 0.26 -5.01 113.70 125.70 2kk8 s SER 83 Ca 0.82 -2.41 0.16 0.00 0.70 0.00 0.00 55.95 55.22 2kk8 s SER 83 Cb -0.24 -2.52 0.96 0.00 -1.71 0.00 0.00 66.02 62.51 2kk8 s SER 83 CO 0.34 -1.11 1.37 -1.20 1.20 0.00 0.00 173.24 173.84