#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 4.55 3.59 3.03 0.00 -1.26 -4.88 105.19 110.22 2kk8 n GLY 2 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 2kk8 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk8 s HIS 3 N -2.33 2.99 -1.24 1.61 4.02 -1.26 -4.88 115.29 114.20 2kk8 s HIS 3 Ca 0.40 0.61 0.17 0.00 1.02 0.00 0.00 55.06 57.26 2kk8 s HIS 3 Cb 0.31 -3.86 -0.08 0.00 -1.02 0.00 0.00 32.58 27.93 2kk8 s HIS 3 CO -0.01 -0.98 0.81 0.72 1.02 0.00 0.00 174.74 176.30 2kk8 n HIS 4 N 7.05 0.00 -3.89 1.40 -0.00 -1.26 -4.87 115.22 113.65 2kk8 n HIS 4 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.52 2kk8 n HIS 4 Cb 0.48 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.31 2kk8 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 5 N -2.24 1.57 -1.34 4.41 0.09 -1.26 -5.03 115.29 111.48 2kk8 s HIS 5 Ca 0.11 -0.92 -0.16 0.00 -0.00 0.00 0.00 55.06 54.09 2kk8 s HIS 5 Cb 0.13 -1.26 0.02 0.00 -0.00 0.00 0.00 32.58 31.48 2kk8 s HIS 5 CO 0.54 -0.57 2.06 -2.39 -0.00 0.00 0.00 174.74 174.38 2kk8 n HIS 6 N 4.91 3.63 0.57 1.40 -0.00 -1.26 -4.77 115.22 119.70 2kk8 n HIS 6 Ca -0.12 -2.77 -0.00 0.00 -0.00 0.00 0.00 57.72 54.83 2kk8 n HIS 6 Cb 0.49 -2.50 0.08 0.00 -0.00 0.00 0.00 29.99 28.06 2kk8 n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk8 n HIS 7 N 7.14 0.51 -1.93 -1.40 -0.00 -1.26 -3.06 115.22 115.23 2kk8 n HIS 7 Ca 0.51 -0.31 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 2kk8 n HIS 7 Cb 0.41 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 2kk8 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk8 n HIS 8 N 0.14 0.00 0.72 -1.40 -0.00 -1.26 -4.93 115.22 108.48 2kk8 n HIS 8 Ca 0.08 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.89 2kk8 n HIS 8 Cb 0.53 0.14 -0.12 0.00 -0.00 0.00 0.00 29.99 30.55 2kk8 n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kk8 n SER 9 N 0.00 0.82 -4.48 0.26 7.64 -1.17 -4.86 113.62 111.83 2kk8 n SER 9 Ca 0.00 -0.76 -0.38 0.00 1.01 0.00 0.00 58.87 58.74 2kk8 n SER 9 Cb 0.55 1.18 -0.11 0.00 -1.01 0.00 0.00 64.21 64.82 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2kk8 s HIS 10 N -2.91 3.18 0.03 1.43 0.00 -1.26 -0.13 115.29 115.62 2kk8 s HIS 10 Ca 0.04 -0.36 -0.03 0.00 -3.00 0.00 0.00 55.06 51.71 2kk8 s HIS 10 Cb 0.14 -2.36 -0.02 0.00 -4.00 0.00 0.00 32.58 26.34 2kk8 s HIS 10 CO 0.79 -0.37 0.03 -1.64 -1.00 0.00 0.00 174.74 172.55 2kk8 s MET 11 N 1.66 0.47 -0.22 -0.38 1.00 -0.56 -4.97 119.30 116.31 2kk8 s MET 11 Ca 0.06 -0.75 -0.13 0.00 0.00 0.00 0.00 55.69 54.86 2kk8 s MET 11 Cb -0.17 0.18 -0.04 0.00 0.00 0.00 0.00 34.83 34.80 2kk8 s MET 11 CO 0.07 -0.10 0.27 0.15 0.00 0.00 0.00 175.02 175.41 2kk8 s LYS 12 N -2.29 4.11 -0.05 2.03 1.02 -1.26 -0.11 119.74 123.19 2kk8 s LYS 12 Ca -0.08 -0.06 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2kk8 s LYS 12 Cb -0.03 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 2kk8 s LYS 12 CO -0.04 0.01 -0.14 -0.59 -0.92 0.00 0.00 175.35 173.68 2kk8 s PHE 13 N 1.19 2.72 -0.58 3.18 -0.71 -0.29 -4.93 117.98 118.56 2kk8 s PHE 13 Ca 0.13 -0.15 -0.28 0.00 -1.04 0.00 0.00 56.93 55.59 2kk8 s PHE 13 Cb -0.14 -1.64 0.02 0.00 -1.21 0.00 0.00 43.02 40.05 2kk8 s PHE 13 CO 0.06 0.20 1.38 -1.17 -1.34 0.00 0.00 175.22 174.35 2kk8 s LEU 14 N -0.73 3.38 -0.93 -1.99 2.96 -1.26 -2.76 118.68 117.36 2kk8 s LEU 14 Ca 0.11 0.19 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 2kk8 s LEU 14 Cb -0.11 -3.01 0.13 0.00 0.50 0.00 0.00 46.19 43.70 2kk8 s LEU 14 CO 0.01 -1.70 1.12 -0.69 -1.32 0.00 0.00 176.35 173.77 2kk8 s VAL 15 N 5.93 4.73 0.05 1.68 1.01 0.74 -4.61 120.40 129.94 2kk8 s VAL 15 Ca 0.50 -1.58 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 2kk8 s VAL 15 Cb -0.10 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 2kk8 s VAL 15 CO 0.24 -1.50 0.36 -0.70 0.00 0.00 0.00 175.10 173.49 2kk8 s GLU 16 N 2.67 3.71 -0.07 2.72 2.12 -1.12 -0.37 118.70 128.35 2kk8 s GLU 16 Ca 0.32 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.79 2kk8 s GLU 16 Cb -0.05 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2kk8 s GLU 16 CO -0.09 0.59 -0.20 1.21 -0.54 0.00 0.00 175.26 176.23 2kk8 s ASN 17 N -1.72 2.56 0.37 -1.70 3.84 -1.07 0.08 114.94 117.30 2kk8 s ASN 17 Ca 0.31 -0.44 0.04 0.00 0.21 0.00 0.00 52.86 52.98 2kk8 s ASN 17 Cb -0.14 -1.01 0.72 0.00 -0.55 0.00 0.00 41.25 40.28 2kk8 s ASN 17 CO 0.17 0.14 2.01 0.25 -2.79 0.00 0.00 177.10 176.88 2kk8 h LEU 18 N 6.58 0.59 -7.27 3.21 5.85 -0.36 -3.27 115.31 120.63 2kk8 h LEU 18 Ca -0.27 -0.03 -0.63 0.00 0.84 0.00 0.00 57.88 57.79 2kk8 h LEU 18 Cb 1.20 -0.15 -0.41 0.00 0.37 0.00 0.00 40.66 41.67 2kk8 h LEU 18 CO 0.47 0.46 -0.62 0.21 -0.34 0.00 0.00 178.44 178.62 2kk8 s ASN 19 N -6.60 4.43 0.00 1.25 3.84 -1.26 -4.98 114.94 111.61 2kk8 s ASN 19 Ca -0.09 -3.26 0.00 0.00 0.21 0.00 0.00 52.86 49.72 2kk8 s ASN 19 Cb 0.17 -1.61 0.00 0.00 -0.55 0.00 0.00 41.25 39.26 2kk8 s ASN 19 CO 0.75 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 175.48 2kk8 n GLY 20 N 2.78 -0.08 3.49 1.21 0.00 -1.23 -4.89 105.19 106.47 2kk8 n GLY 20 Ca 0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2kk8 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kk8 s SER 21 N -4.00 0.36 -0.06 1.61 0.15 -1.26 -4.89 113.70 105.62 2kk8 s SER 21 Ca 0.00 -1.23 -0.04 0.00 0.70 0.00 0.00 55.95 55.38 2kk8 s SER 21 Cb 0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2kk8 s SER 21 CO 0.00 -1.17 0.14 -0.94 1.20 0.00 0.00 173.24 172.47 2kk8 s SER 22 N -3.13 6.18 -0.00 5.45 1.04 -1.26 -2.61 113.70 119.37 2kk8 s SER 22 Ca 0.28 0.35 0.01 0.00 0.48 0.00 0.00 55.95 57.07 2kk8 s SER 22 Cb 0.01 -1.93 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 2kk8 s SER 22 CO 0.14 0.33 -0.04 0.12 0.98 0.00 0.00 173.24 174.77 2kk8 s PHE 23 N -1.16 0.37 -0.74 5.02 5.36 0.50 -4.95 117.98 122.39 2kk8 s PHE 23 Ca 0.21 -0.07 -0.17 0.00 -0.96 0.00 0.00 56.93 55.94 2kk8 s PHE 23 Cb -0.12 -0.25 0.14 0.00 -0.34 0.00 0.00 43.02 42.45 2kk8 s PHE 23 CO 0.11 -0.01 0.82 -1.21 -1.46 0.00 0.00 175.22 173.47 2kk8 s GLU 24 N -0.03 3.33 -0.17 10.12 2.02 -1.26 -0.18 118.70 132.53 2kk8 s GLU 24 Ca 0.01 -1.75 -0.09 0.00 0.02 0.00 0.00 54.97 53.16 2kk8 s GLU 24 Cb -0.02 -4.47 -0.05 0.00 0.10 0.00 0.00 34.13 29.69 2kk8 s GLU 24 CO -0.00 -1.53 0.13 -1.17 0.02 0.00 0.00 175.26 172.71 2kk8 s LEU 25 N 1.96 4.25 -0.30 1.80 0.20 -1.11 -4.89 118.68 120.58 2kk8 s LEU 25 Ca 0.18 0.31 -0.19 0.00 0.69 0.00 0.00 54.13 55.12 2kk8 s LEU 25 Cb -0.16 -2.07 -0.01 0.00 -0.43 0.00 0.00 46.19 43.52 2kk8 s LEU 25 CO -0.02 0.26 0.55 -0.70 -0.29 0.00 0.00 176.35 176.16 2kk8 s GLU 26 N -0.15 3.87 0.16 1.98 2.12 -1.26 -1.13 118.70 124.29 2kk8 s GLU 26 Ca 0.10 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.67 2kk8 s GLU 26 Cb -0.11 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2kk8 s GLU 26 CO 0.00 -0.52 -0.02 0.54 -0.54 0.00 0.00 175.26 174.72 2kk8 s VAL 27 N 2.44 3.63 -0.12 3.70 0.11 0.85 -4.89 120.40 126.12 2kk8 s VAL 27 Ca 0.22 -1.41 -0.10 0.00 -2.93 0.00 0.00 61.98 57.75 2kk8 s VAL 27 Cb -0.15 -2.80 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 2kk8 s VAL 27 CO 0.11 -0.07 0.22 -0.62 -3.33 0.00 0.00 175.10 171.41 2kk8 s ASP 28 N -2.81 6.44 0.60 3.54 -1.08 -1.26 -1.49 116.67 120.62 2kk8 s ASP 28 Ca 0.26 0.52 0.33 0.00 -0.52 0.00 0.00 52.55 53.15 2kk8 s ASP 28 Cb -0.10 -2.13 1.94 0.00 -1.46 0.00 0.00 42.92 41.17 2kk8 s ASP 28 CO 0.18 0.29 2.27 1.88 0.52 0.00 0.00 175.17 180.30 2kk8 h TYR 29 N 5.60 0.00 -0.02 -5.34 -1.99 -0.90 0.17 116.97 114.49 2kk8 h TYR 29 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2kk8 h TYR 29 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 2kk8 h TYR 29 CO 0.68 0.01 -0.14 -2.13 -0.00 0.00 0.00 178.16 176.58 2kk8 n ARG 30 N -3.65 1.58 -2.49 4.88 0.63 -1.26 -0.61 116.66 115.74 2kk8 n ARG 30 Ca -0.03 -1.13 -0.41 0.00 -0.92 0.00 0.00 57.85 55.37 2kk8 n ARG 30 Cb 0.09 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 31.49 2kk8 n ARG 30 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kk8 s ASP 31 N -2.20 7.25 0.29 6.15 2.15 0.05 -4.89 116.67 125.48 2kk8 s ASP 31 Ca 0.29 2.18 -0.28 0.00 0.43 0.00 0.00 52.55 55.17 2kk8 s ASP 31 Cb 0.20 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 2kk8 s ASP 31 CO 0.41 -0.20 1.00 -0.89 -0.17 0.00 0.00 175.17 175.33 2kk8 s THR 32 N -0.63 3.88 0.50 1.71 2.01 -1.26 -2.94 115.64 118.91 2kk8 s THR 32 Ca 0.47 1.74 0.33 0.00 0.31 0.00 0.00 61.69 64.55 2kk8 s THR 32 Cb -0.31 -4.05 0.36 0.00 0.01 0.00 0.00 72.50 68.51 2kk8 s THR 32 CO 0.38 0.30 2.20 -0.07 -0.69 0.00 0.00 174.62 176.74 2kk8 h LEU 33 N 3.58 0.00 -1.34 4.42 3.38 -1.16 0.20 115.31 124.38 2kk8 h LEU 33 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2kk8 h LEU 33 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2kk8 h LEU 33 CO 0.66 0.04 -0.19 0.25 0.09 0.00 0.00 178.44 179.30 2kk8 h LEU 34 N 0.00 0.00 0.04 1.67 5.85 -1.66 -2.68 115.31 118.54 2kk8 h LEU 34 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2kk8 h LEU 34 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2kk8 h LEU 34 CO 0.01 0.19 -1.23 0.58 -0.34 0.00 0.00 178.44 177.65 2kk8 h VAL 35 N 0.00 1.02 -0.12 1.05 2.07 -0.94 -3.33 116.25 116.00 2kk8 h VAL 35 Ca -0.00 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 2kk8 h VAL 35 Cb 0.63 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2kk8 h VAL 35 CO 0.02 0.51 -0.00 1.62 0.02 0.00 0.00 177.57 179.74 2kk8 h VAL 36 N -0.71 1.08 -0.77 2.57 3.04 -1.47 -0.50 116.25 119.48 2kk8 h VAL 36 Ca -0.30 -0.31 0.01 0.00 -1.01 0.00 0.00 66.70 65.09 2kk8 h VAL 36 Cb 1.46 1.00 -0.04 0.00 -2.01 0.00 0.00 31.29 31.70 2kk8 h VAL 36 CO -0.09 0.10 0.51 0.11 -1.01 0.00 0.00 177.57 177.20 2kk8 h LYS 37 N 0.16 1.00 0.00 4.17 1.57 -1.62 0.98 116.57 122.83 2kk8 h LYS 37 Ca 0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2kk8 h LYS 37 Cb 0.12 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2kk8 h LYS 37 CO 0.00 0.66 -0.01 1.96 -0.57 0.00 0.00 179.45 181.49 2kk8 h GLN 38 N 1.03 0.00 0.10 3.15 4.20 -1.20 -1.37 115.11 121.01 2kk8 h GLN 38 Ca 0.29 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.69 2kk8 h GLN 38 Cb -0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2kk8 h GLN 38 CO -0.07 0.01 -1.64 0.87 -0.67 0.00 0.00 178.83 177.33 2kk8 h LYS 39 N 0.00 0.21 -0.51 1.46 1.57 -0.79 -2.69 116.57 115.81 2kk8 h LYS 39 Ca -0.00 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2kk8 h LYS 39 Cb 0.64 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2kk8 h LYS 39 CO 0.00 1.03 0.04 0.82 -0.57 0.00 0.00 179.45 180.78 2kk8 h ILE 40 N 0.06 1.26 -0.96 1.86 2.04 -0.66 -2.11 117.51 118.99 2kk8 h ILE 40 Ca -0.28 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.58 2kk8 h ILE 40 Cb 2.02 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.97 2kk8 h ILE 40 CO 0.14 0.36 0.63 -0.08 0.00 0.00 0.00 178.15 179.20 2kk8 h GLU 41 N 0.73 1.27 0.00 2.37 4.81 -1.36 0.41 114.58 122.80 2kk8 h GLU 41 Ca 0.15 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2kk8 h GLU 41 Cb 0.45 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2kk8 h GLU 41 CO 0.02 0.84 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.86 2kk8 h ARG 42 N 1.30 0.00 0.00 1.92 2.43 -1.10 0.26 114.38 119.19 2kk8 h ARG 42 Ca 0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 2kk8 h ARG 42 Cb -0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2kk8 h ARG 42 CO -0.08 0.18 -1.11 -1.13 -1.51 0.00 0.00 179.97 176.33 2kk8 n SER 43 N -3.41 1.89 0.15 -3.80 3.41 -0.83 -4.56 113.62 106.46 2kk8 n SER 43 Ca -0.00 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.06 2kk8 n SER 43 Cb 0.38 -0.73 0.45 0.00 -0.26 0.00 0.00 64.21 64.05 2kk8 n SER 43 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2kk8 h GLN 44 N -0.95 0.00 -5.32 4.33 4.20 -1.04 -3.47 115.11 112.86 2kk8 h GLN 44 Ca -0.07 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.31 2kk8 h GLN 44 Cb 1.02 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.94 2kk8 h GLN 44 CO -0.04 0.00 -0.65 0.72 -0.67 0.00 0.00 178.83 178.18 2kk8 n HIS 45 N -2.46 -2.28 -4.48 2.96 8.25 0.08 -5.02 115.22 112.26 2kk8 n HIS 45 Ca 0.03 0.88 -0.30 0.00 -0.26 0.00 0.00 57.72 58.07 2kk8 n HIS 45 Cb 0.35 -4.71 -0.12 0.00 1.12 0.00 0.00 29.99 26.63 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 -3.31 2.78 0.40 1.59 -4.36 -1.23 -5.06 121.20 112.01 2kk8 s ILE 46 Ca 0.26 -1.37 -0.26 0.00 -0.26 0.00 0.00 60.65 59.02 2kk8 s ILE 46 Cb -0.11 -2.22 -0.11 0.00 1.25 0.00 0.00 42.46 41.27 2kk8 s ILE 46 CO 0.66 0.21 1.24 -2.65 0.24 0.00 0.00 174.94 174.64 2kk8 n PRO 47 N 1.17 1.90 0.28 0.37 -0.02 -1.26 -4.44 135.00 132.99 2kk8 n PRO 47 Ca -0.16 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 2kk8 n PRO 47 Cb 0.52 -2.32 0.79 0.00 -0.02 0.00 0.00 33.50 32.48 2kk8 n PRO 47 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2kk8 h VAL 48 N 2.14 0.53 0.00 -1.45 3.04 -1.96 -0.39 116.25 118.16 2kk8 h VAL 48 Ca -0.47 -0.37 -0.05 0.00 -1.01 0.00 0.00 66.70 64.80 2kk8 h VAL 48 Cb 1.30 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 2kk8 h VAL 48 CO 0.60 0.08 -0.25 0.28 -1.01 0.00 0.00 177.57 177.28 2kk8 h SER 49 N 0.00 0.00 1.12 3.17 0.02 -1.89 -2.86 113.55 113.11 2kk8 h SER 49 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2kk8 h SER 49 Cb 0.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2kk8 h SER 49 CO 0.01 0.25 -0.54 0.50 -1.14 0.00 0.00 176.83 175.91 2kk8 h LYS 50 N 0.00 0.00 -5.63 3.45 3.64 -1.03 -3.42 116.57 113.58 2kk8 h LYS 50 Ca -0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.00 2kk8 h LYS 50 Cb 0.92 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 2kk8 h LYS 50 CO 0.03 0.54 1.11 -0.65 -2.27 0.00 0.00 179.45 178.22 2kk8 s GLN 51 N -3.20 2.75 -0.63 1.90 -0.21 -1.08 -4.17 119.66 115.02 2kk8 s GLN 51 Ca 0.02 -0.98 -0.20 0.00 0.02 0.00 0.00 55.36 54.22 2kk8 s GLN 51 Cb 0.09 -5.23 0.10 0.00 1.00 0.00 0.00 33.01 28.97 2kk8 s GLN 51 CO 0.74 -3.49 0.81 0.99 -2.12 0.00 0.00 175.29 172.22 2kk8 s THR 52 N 9.59 4.66 -0.58 -0.19 2.01 -1.26 -4.99 115.64 124.87 2kk8 s THR 52 Ca 0.66 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 61.57 2kk8 s THR 52 Cb -0.02 -4.57 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 2kk8 s THR 52 CO 0.07 -1.26 1.94 -0.76 -0.69 0.00 0.00 174.62 173.92 2kk8 s LEU 53 N 3.12 3.32 -0.33 4.42 1.43 -1.25 -3.90 118.68 125.50 2kk8 s LEU 53 Ca 0.16 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.74 2kk8 s LEU 53 Cb -0.21 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.50 2kk8 s LEU 53 CO 0.07 -2.42 0.05 -0.63 0.23 0.00 0.00 176.35 173.65 2kk8 s ILE 54 N 9.46 3.14 -0.39 -0.59 1.01 -1.24 0.46 121.20 133.04 2kk8 s ILE 54 Ca 0.73 -1.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 2kk8 s ILE 54 Cb -0.14 -2.88 0.07 0.00 0.01 0.00 0.00 42.46 39.52 2kk8 s ILE 54 CO 0.22 -0.24 0.19 0.68 0.00 0.00 0.00 174.94 175.79 2kk8 s VAL 55 N 1.24 3.90 0.00 2.92 -7.23 -0.95 -2.16 120.40 118.13 2kk8 s VAL 55 Ca -0.02 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2kk8 s VAL 55 Cb -0.20 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.37 2kk8 s VAL 55 CO -0.01 -0.42 0.00 -0.67 -0.31 0.00 0.00 175.10 173.69 2kk8 n ASP 56 N 4.83 0.00 0.00 4.85 2.03 0.51 -2.63 116.55 126.14 2kk8 n ASP 56 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2kk8 n ASP 56 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk8 n GLY 57 N 0.00 0.08 3.71 0.27 0.00 -1.26 -4.84 105.19 103.15 2kk8 n GLY 57 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.84 3.96 -0.20 -0.61 1.01 -1.08 -5.00 121.20 118.45 2kk8 s ILE 58 Ca 0.00 1.40 -0.22 0.00 0.00 0.00 0.00 60.65 61.83 2kk8 s ILE 58 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2kk8 s ILE 58 CO 0.00 0.10 0.69 0.54 0.00 0.00 0.00 174.94 176.27 2kk8 s VAL 59 N 1.19 4.97 -0.52 2.92 0.11 -1.26 -2.24 120.40 125.57 2kk8 s VAL 59 Ca 0.59 1.32 -0.16 0.00 -2.93 0.00 0.00 61.98 60.79 2kk8 s VAL 59 Cb -0.30 -4.00 0.10 0.00 -1.53 0.00 0.00 36.38 30.65 2kk8 s VAL 59 CO 0.29 0.07 0.50 -0.63 -3.33 0.00 0.00 175.10 172.00 2kk8 s ILE 60 N 2.05 5.14 -0.24 7.04 -1.09 0.17 -4.86 121.20 129.41 2kk8 s ILE 60 Ca 0.31 -1.18 0.12 0.00 -2.23 0.00 0.00 60.65 57.68 2kk8 s ILE 60 Cb -0.16 -4.28 0.51 0.00 -1.58 0.00 0.00 42.46 36.95 2kk8 s ILE 60 CO 0.11 -0.79 1.44 0.18 -1.23 0.00 0.00 174.94 174.65 2kk8 n LEU 61 N 5.46 4.01 -3.97 2.97 4.77 -1.26 -3.89 117.00 125.09 2kk8 n LEU 61 Ca -0.12 -3.44 -0.30 0.00 -0.03 0.00 0.00 56.01 52.12 2kk8 n LEU 61 Cb 0.42 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 2kk8 n LEU 61 CO 0.52 0.99 -0.24 -0.13 -1.33 0.00 0.00 177.39 177.21 2kk8 s ARG 62 N -3.07 1.79 0.15 3.23 1.81 -1.26 -4.90 118.95 116.70 2kk8 s ARG 62 Ca 0.43 -2.35 0.24 0.00 -1.72 0.00 0.00 55.73 52.33 2kk8 s ARG 62 Cb 0.38 -3.27 0.91 0.00 -0.45 0.00 0.00 34.95 32.52 2kk8 s ARG 62 CO 0.04 -1.05 1.72 0.39 -0.68 0.00 0.00 175.30 175.72 2kk8 n GLU 63 N 3.53 0.14 0.08 3.54 4.71 -1.26 -2.97 120.64 128.41 2kk8 n GLU 63 Ca 0.05 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.57 2kk8 n GLU 63 Cb 0.36 -1.72 0.60 0.00 -1.01 0.00 0.00 31.44 29.66 2kk8 n GLU 63 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2kk8 h ASP 64 N 0.00 0.14 -3.37 1.62 3.58 -1.94 -2.30 116.42 114.15 2kk8 h ASP 64 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2kk8 h ASP 64 Cb 0.48 -0.03 0.12 0.00 1.72 0.00 0.00 39.33 41.62 2kk8 h ASP 64 CO 0.00 0.09 0.29 -0.76 -2.88 0.00 0.00 179.24 175.98 2kk8 s LEU 65 N -9.10 2.81 0.20 2.28 1.43 -1.16 -4.84 118.68 110.31 2kk8 s LEU 65 Ca -0.06 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.24 2kk8 s LEU 65 Cb 0.18 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2kk8 s LEU 65 CO 0.71 -2.23 -0.19 0.42 0.23 0.00 0.00 176.35 175.30 2kk8 s THR 66 N -3.52 2.02 0.18 5.49 -4.23 -1.26 -1.37 115.64 112.95 2kk8 s THR 66 Ca 0.69 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 2kk8 s THR 66 Cb -0.06 -2.03 0.11 0.00 1.34 0.00 0.00 72.50 71.86 2kk8 s THR 66 CO 0.49 -0.37 1.69 0.58 -0.54 0.00 0.00 174.62 176.46 2kk8 h VAL 67 N 2.86 0.64 0.01 2.29 2.07 -1.52 -2.03 116.25 120.58 2kk8 h VAL 67 Ca -0.41 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2kk8 h VAL 67 Cb 1.22 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2kk8 h VAL 67 CO 0.55 0.02 -0.11 -0.08 0.02 0.00 0.00 177.57 177.97 2kk8 h GLU 68 N 0.11 -0.19 0.00 1.57 4.81 -1.17 -2.47 114.58 117.24 2kk8 h GLU 68 Ca 0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2kk8 h GLU 68 Cb 0.34 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2kk8 h GLU 68 CO -0.39 -0.12 0.00 1.96 -0.73 0.00 0.00 179.01 179.73 2kk8 h GLN 69 N -0.19 0.00 0.00 1.92 4.20 -1.73 -0.99 115.11 118.32 2kk8 h GLN 69 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2kk8 h GLN 69 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2kk8 h GLN 69 CO -0.10 0.00 -0.39 0.00 -0.67 0.00 0.00 178.83 177.67 2kk8 n GLN 71 N -2.03 -1.50 -2.70 0.00 1.13 -0.38 -4.90 117.38 106.99 2kk8 n GLN 71 Ca 0.04 0.98 -0.42 0.00 -1.94 0.00 0.00 57.00 55.66 2kk8 n GLN 71 Cb 0.42 -4.77 -0.03 0.00 0.11 0.00 0.00 30.24 25.96 2kk8 n GLN 71 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2kk8 s ILE 72 N -3.20 4.04 -0.11 5.09 -1.09 -1.22 -5.00 121.20 119.70 2kk8 s ILE 72 Ca 0.22 -0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 2kk8 s ILE 72 Cb -0.06 -4.82 -0.04 0.00 -1.58 0.00 0.00 42.46 35.96 2kk8 s ILE 72 CO 0.80 -1.68 0.59 0.68 -1.23 0.00 0.00 174.94 174.11 2kk8 s VAL 73 N 4.82 5.10 -0.85 2.92 -7.23 -1.26 -4.95 120.40 118.95 2kk8 s VAL 73 Ca 0.30 1.19 0.10 0.00 -1.81 0.00 0.00 61.98 61.76 2kk8 s VAL 73 Cb -0.11 -3.93 0.09 0.00 0.56 0.00 0.00 36.38 32.99 2kk8 s VAL 73 CO 0.10 0.26 1.30 -2.65 -0.31 0.00 0.00 175.10 173.79 2kk8 n PRO 74 N 3.98 0.04 -0.20 4.82 -0.02 -1.26 -1.95 135.00 140.40 2kk8 n PRO 74 Ca -0.04 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 2kk8 n PRO 74 Cb 0.51 -1.59 0.10 0.00 -0.02 0.00 0.00 33.50 32.50 2kk8 n PRO 74 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kk8 n THR 75 N -1.67 0.61 -4.30 3.45 5.66 -1.26 -4.81 114.28 111.96 2kk8 n THR 75 Ca 0.01 -0.33 -0.29 0.00 -3.05 0.00 0.00 64.05 60.39 2kk8 n THR 75 Cb 0.08 -0.34 -0.11 0.00 -1.55 0.00 0.00 70.33 68.41 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kk8 s SER 76 N -0.34 3.89 -0.42 1.09 0.01 -0.82 -5.08 113.70 112.03 2kk8 s SER 76 Ca 0.13 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 2kk8 s SER 76 Cb 0.10 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.79 2kk8 s SER 76 CO 0.05 0.18 1.44 -0.62 0.41 0.00 0.00 173.24 174.69 2kk8 s ASP 77 N -2.17 6.29 -0.47 2.44 2.15 -1.26 -4.78 116.67 118.86 2kk8 s ASP 77 Ca 0.18 0.83 -0.14 0.00 0.43 0.00 0.00 52.55 53.85 2kk8 s ASP 77 Cb -0.10 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 40.06 2kk8 s ASP 77 CO 0.10 -1.47 0.39 -0.63 -0.17 0.00 0.00 175.17 173.39 2kk8 s ILE 78 N 5.59 5.06 -0.05 4.11 1.01 -1.26 -0.36 121.20 135.29 2kk8 s ILE 78 Ca 0.62 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2kk8 s ILE 78 Cb -0.14 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2kk8 s ILE 78 CO 0.32 -0.60 -0.05 -1.58 0.00 0.00 0.00 174.94 173.03 2kk8 s GLN 79 N 1.60 0.93 0.19 2.79 0.74 -0.92 -2.78 119.66 122.21 2kk8 s GLN 79 Ca 0.04 -0.12 -0.08 0.00 0.05 0.00 0.00 55.36 55.25 2kk8 s GLN 79 Cb -0.25 -0.95 -0.07 0.00 1.10 0.00 0.00 33.01 32.84 2kk8 s GLN 79 CO 0.05 -0.11 0.49 -0.51 -0.55 0.00 0.00 175.29 174.66 2kk8 s LEU 80 N 1.07 4.22 0.00 3.68 1.43 0.11 -3.68 118.68 125.51 2kk8 s LEU 80 Ca -0.09 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2kk8 s LEU 80 Cb -0.14 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2kk8 s LEU 80 CO -0.01 -0.01 0.06 -0.62 0.23 0.00 0.00 176.35 176.00 2kk8 n GLU 81 N 0.05 1.02 -5.04 1.70 1.02 -1.25 0.40 120.64 118.54 2kk8 n GLU 81 Ca -0.01 -0.24 -0.32 0.00 -0.02 0.00 0.00 57.16 56.56 2kk8 n GLU 81 Cb 0.52 -0.01 -0.15 0.00 -0.02 0.00 0.00 31.44 31.77 2kk8 n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2kk8 s VAL 82 N 0.62 2.53 -0.17 2.62 0.11 -1.26 -4.47 120.40 120.38 2kk8 s VAL 82 Ca 0.04 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.18 2kk8 s VAL 82 Cb -0.00 -1.99 0.08 0.00 -1.53 0.00 0.00 36.38 32.94 2kk8 s VAL 82 CO 0.03 0.55 0.26 -0.55 -3.33 0.00 0.00 175.10 172.07 2kk8 s SER 83 N 0.07 0.71 0.00 3.54 0.15 -1.26 -5.04 113.70 111.87 2kk8 s SER 83 Ca -0.08 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2kk8 s SER 83 Cb -0.15 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2kk8 s SER 83 CO 0.05 -0.28 0.00 -0.24 1.20 0.00 0.00 173.24 173.97