#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk8 s GLY 2 N 0.00 -0.34 -0.01 -5.12 0.00 -1.26 -4.96 107.32 95.62 2kk8 s GLY 2 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 44.72 45.91 2kk8 s GLY 2 CO 0.00 0.36 -0.00 1.42 0.00 0.00 0.00 173.10 174.88 2kk8 n HIS 3 N -0.25 0.00 -0.84 1.90 8.25 -1.26 -4.71 115.22 118.31 2kk8 n HIS 3 Ca -0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 2kk8 n HIS 3 Cb 0.60 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.69 2kk8 n HIS 3 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kk8 n HIS 4 N -2.19 0.00 -1.94 4.41 -0.00 -1.26 -5.02 115.22 109.23 2kk8 n HIS 4 Ca -0.02 -0.48 -0.31 0.00 -0.00 0.00 0.00 57.72 56.91 2kk8 n HIS 4 Cb 0.54 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.99 30.41 2kk8 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk8 s HIS 5 N -1.24 1.60 0.00 4.41 5.65 -1.26 -4.45 115.29 119.99 2kk8 s HIS 5 Ca 0.10 0.94 0.00 0.00 0.25 0.00 0.00 55.06 56.35 2kk8 s HIS 5 Cb 0.09 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.54 2kk8 s HIS 5 CO 0.01 -2.02 0.01 -2.39 -0.65 0.00 0.00 174.74 169.70 2kk8 n HIS 6 N 14.27 0.00 -2.61 3.88 -0.00 -1.26 -4.91 115.22 124.59 2kk8 n HIS 6 Ca 0.33 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.62 2kk8 n HIS 6 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.46 2kk8 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk8 s HIS 7 N -0.01 3.24 -0.59 -1.40 5.65 -1.26 -3.13 115.29 117.79 2kk8 s HIS 7 Ca 0.00 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.69 2kk8 s HIS 7 Cb 0.00 -3.32 0.00 0.00 -1.18 0.00 0.00 32.58 28.08 2kk8 s HIS 7 CO 0.00 -0.72 0.00 1.58 -0.65 0.00 0.00 174.74 174.95 2kk8 n HIS 8 N 6.39 0.00 -2.50 3.88 -0.00 -1.26 -4.92 115.22 116.80 2kk8 n HIS 8 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.41 2kk8 n HIS 8 Cb 0.46 -1.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.02 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 0.18 4.83 -3.37 0.26 7.64 -1.18 -4.74 113.62 117.25 2kk8 n SER 9 Ca -0.06 -2.93 0.02 0.00 1.01 0.00 0.00 58.87 56.91 2kk8 n SER 9 Cb 0.26 -1.69 -0.04 0.00 -1.01 0.00 0.00 64.21 61.74 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 3.33 -0.70 -0.00 1.43 0.00 -1.26 -4.35 115.29 113.74 2kk8 s HIS 10 Ca 0.50 1.14 -0.00 0.00 -3.00 0.00 0.00 55.06 53.69 2kk8 s HIS 10 Cb 0.05 0.39 0.00 0.00 -4.00 0.00 0.00 32.58 29.02 2kk8 s HIS 10 CO 0.03 -0.35 0.01 1.41 -1.00 0.00 0.00 174.74 174.84 2kk8 s MET 11 N 2.52 0.03 -0.35 -0.38 -2.45 0.77 -4.92 119.30 114.51 2kk8 s MET 11 Ca -0.02 -0.00 -0.12 0.00 -1.25 0.00 0.00 55.69 54.31 2kk8 s MET 11 Cb -0.07 0.01 0.00 0.00 1.25 0.00 0.00 34.83 36.02 2kk8 s MET 11 CO -0.17 -0.00 0.22 0.15 1.05 0.00 0.00 175.02 176.26 2kk8 s LYS 12 N -0.04 3.22 0.15 4.11 1.02 -1.26 -0.36 119.74 126.59 2kk8 s LYS 12 Ca -0.01 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 2kk8 s LYS 12 Cb -0.00 -3.74 -0.05 0.00 -0.52 0.00 0.00 37.83 33.51 2kk8 s LYS 12 CO -0.00 -0.54 0.36 -0.59 -0.92 0.00 0.00 175.35 173.66 2kk8 s PHE 13 N 1.65 3.48 -0.44 3.18 -0.71 -0.82 -4.75 117.98 119.57 2kk8 s PHE 13 Ca 0.05 0.43 -0.29 0.00 -1.04 0.00 0.00 56.93 56.08 2kk8 s PHE 13 Cb -0.18 -1.91 0.02 0.00 -1.21 0.00 0.00 43.02 39.74 2kk8 s PHE 13 CO 0.08 0.43 1.26 -1.17 -1.34 0.00 0.00 175.22 174.49 2kk8 s LEU 14 N -2.89 3.62 -0.48 -1.99 2.96 -1.25 -1.83 118.68 116.82 2kk8 s LEU 14 Ca 0.39 0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 54.77 2kk8 s LEU 14 Cb -0.12 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.08 2kk8 s LEU 14 CO 0.27 -1.33 0.50 -0.69 -1.32 0.00 0.00 176.35 173.78 2kk8 s VAL 15 N 4.89 5.06 -0.11 1.68 1.01 -0.44 -4.57 120.40 127.92 2kk8 s VAL 15 Ca 0.54 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 2kk8 s VAL 15 Cb -0.10 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2kk8 s VAL 15 CO 0.32 -0.65 0.19 -0.70 0.00 0.00 0.00 175.10 174.26 2kk8 s GLU 16 N 2.15 3.59 -0.04 2.72 2.12 -1.13 -0.88 118.70 127.24 2kk8 s GLU 16 Ca 0.10 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.40 2kk8 s GLU 16 Cb -0.21 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 30.99 2kk8 s GLU 16 CO 0.10 0.72 -0.01 1.21 -0.54 0.00 0.00 175.26 176.74 2kk8 s ASN 17 N -0.90 0.71 0.00 -1.70 3.84 -1.24 -1.71 114.94 113.94 2kk8 s ASN 17 Ca 0.16 -0.06 0.27 0.00 0.21 0.00 0.00 52.86 53.45 2kk8 s ASN 17 Cb -0.13 -0.30 0.89 0.00 -0.55 0.00 0.00 41.25 41.16 2kk8 s ASN 17 CO 0.05 -0.10 1.68 0.18 -2.79 0.00 0.00 177.10 176.12 2kk8 n LEU 18 N 4.25 0.30 0.00 3.21 4.32 -1.26 -3.45 117.00 124.36 2kk8 n LEU 18 Ca -0.23 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2kk8 n LEU 18 Cb 0.50 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2kk8 n LEU 18 CO 0.21 0.07 0.46 -3.20 -1.22 0.00 0.00 177.39 173.71 2kk8 n ASN 19 N -1.43 1.79 0.00 -1.43 2.85 -1.26 -5.00 115.26 110.77 2kk8 n ASN 19 Ca 0.07 -1.83 0.00 0.00 -0.11 0.00 0.00 54.58 52.71 2kk8 n ASN 19 Cb 0.33 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.35 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 -0.42 3.28 3.27 8.20 0.00 -1.22 -5.12 105.19 113.18 2kk8 n GLY 20 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 1.04 -0.13 -0.19 1.61 0.15 -1.25 -4.94 113.70 109.99 2kk8 s SER 21 Ca 0.00 -0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.23 2kk8 s SER 21 Cb 0.00 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 2kk8 s SER 21 CO 0.00 -0.72 0.24 -0.44 1.20 0.00 0.00 173.24 173.53 2kk8 s SER 22 N -2.44 6.33 -0.04 5.45 0.01 -1.26 -3.60 113.70 118.16 2kk8 s SER 22 Ca -0.01 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.61 2kk8 s SER 22 Cb 0.01 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.11 2kk8 s SER 22 CO -0.07 0.09 0.09 0.12 0.41 0.00 0.00 173.24 173.88 2kk8 s PHE 23 N 0.62 -0.08 -0.74 2.43 5.36 -0.05 -4.97 117.98 120.54 2kk8 s PHE 23 Ca 0.13 0.28 -0.26 0.00 -0.96 0.00 0.00 56.93 56.12 2kk8 s PHE 23 Cb -0.13 -0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.47 2kk8 s PHE 23 CO 0.03 -0.09 1.73 -1.21 -1.46 0.00 0.00 175.22 174.22 2kk8 s GLU 24 N 0.65 2.81 -0.31 10.12 2.02 -1.26 -1.33 118.70 131.39 2kk8 s GLU 24 Ca -0.05 0.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.81 2kk8 s GLU 24 Cb -0.07 -4.60 -0.01 0.00 0.10 0.00 0.00 34.13 29.55 2kk8 s GLU 24 CO -0.03 -2.73 0.60 -1.17 0.02 0.00 0.00 175.26 171.96 2kk8 s LEU 25 N 8.30 4.18 -0.20 1.80 0.20 -0.76 -4.82 118.68 127.38 2kk8 s LEU 25 Ca 0.60 0.32 -0.27 0.00 0.69 0.00 0.00 54.13 55.47 2kk8 s LEU 25 Cb -0.09 -2.75 -0.00 0.00 -0.43 0.00 0.00 46.19 42.91 2kk8 s LEU 25 CO 0.12 -0.47 0.92 -0.70 -0.29 0.00 0.00 176.35 175.92 2kk8 s GLU 26 N 2.55 4.27 0.35 1.98 2.12 -1.26 -1.94 118.70 126.78 2kk8 s GLU 26 Ca 0.24 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.76 2kk8 s GLU 26 Cb -0.15 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 2kk8 s GLU 26 CO 0.12 -0.47 0.08 0.14 -0.54 0.00 0.00 175.26 174.59 2kk8 s VAL 27 N 2.65 0.94 0.11 3.70 -7.23 0.52 -4.92 120.40 116.16 2kk8 s VAL 27 Ca 0.41 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 2kk8 s VAL 27 Cb -0.16 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2kk8 s VAL 27 CO 0.10 0.00 0.19 -0.62 -0.31 0.00 0.00 175.10 174.46 2kk8 s ASP 28 N -3.52 6.05 0.31 4.85 -1.08 -1.26 -0.16 116.67 121.85 2kk8 s ASP 28 Ca 0.32 0.12 0.25 0.00 -0.52 0.00 0.00 52.55 52.72 2kk8 s ASP 28 Cb 0.06 -1.76 1.05 0.00 -1.46 0.00 0.00 42.92 40.81 2kk8 s ASP 28 CO 0.15 0.12 1.76 1.88 0.52 0.00 0.00 175.17 179.59 2kk8 h TYR 29 N 2.75 0.00 0.00 -5.34 -1.99 -1.96 -1.14 116.97 109.29 2kk8 h TYR 29 Ca -0.47 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.23 2kk8 h TYR 29 Cb 1.18 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.90 2kk8 h TYR 29 CO 0.58 0.00 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.49 2kk8 h ARG 30 N 0.00 0.00 -6.84 4.88 2.43 -1.91 -3.30 114.38 109.64 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 0.38 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.98 2kk8 h ARG 30 CO 0.00 0.16 0.60 -0.51 -1.51 0.00 0.00 179.97 178.72 2kk8 s ASP 31 N -6.19 6.89 0.53 -3.80 1.01 -0.43 -4.89 116.67 109.79 2kk8 s ASP 31 Ca 0.04 2.57 -0.03 0.00 0.71 0.00 0.00 52.55 55.84 2kk8 s ASP 31 Cb 0.07 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.37 2kk8 s ASP 31 CO 0.66 -0.45 0.80 0.42 0.21 0.00 0.00 175.17 176.82 2kk8 s THR 32 N -1.01 3.70 -1.75 -1.27 -4.23 -1.26 -1.73 115.64 108.09 2kk8 s THR 32 Ca 0.49 -0.25 0.17 0.00 -1.18 0.00 0.00 61.69 60.92 2kk8 s THR 32 Cb -0.38 -3.43 0.40 0.00 1.34 0.00 0.00 72.50 70.44 2kk8 s THR 32 CO 0.49 -0.37 1.44 0.18 -0.54 0.00 0.00 174.62 175.82 2kk8 n LEU 33 N -2.37 0.00 -0.06 4.79 4.77 0.73 -1.77 117.00 123.10 2kk8 n LEU 33 Ca 0.03 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2kk8 n LEU 33 Cb 0.58 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 2kk8 n LEU 33 CO 0.50 -0.06 -0.16 0.25 -1.33 0.00 0.00 177.39 176.59 2kk8 h LEU 34 N 0.00 0.00 -1.08 2.23 5.85 -1.64 -3.36 115.31 117.31 2kk8 h LEU 34 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2kk8 h LEU 34 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2kk8 h LEU 34 CO 0.00 0.63 0.34 0.58 -0.34 0.00 0.00 178.44 179.65 2kk8 h VAL 35 N -1.00 1.22 -0.80 1.05 2.07 -1.79 -2.42 116.25 114.58 2kk8 h VAL 35 Ca -0.00 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.91 2kk8 h VAL 35 Cb 0.25 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2kk8 h VAL 35 CO -0.00 0.26 0.53 1.62 0.02 0.00 0.00 177.57 180.00 2kk8 h VAL 36 N 0.98 1.19 0.00 2.57 3.04 -1.57 -2.10 116.25 120.37 2kk8 h VAL 36 Ca 0.24 -0.37 -0.08 0.00 -1.01 0.00 0.00 66.70 65.49 2kk8 h VAL 36 Cb 0.09 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.39 2kk8 h VAL 36 CO -0.03 0.20 -0.38 0.11 -1.01 0.00 0.00 177.57 176.46 2kk8 h LYS 37 N 1.07 0.00 -0.49 4.17 1.57 -1.58 0.57 116.57 121.89 2kk8 h LYS 37 Ca 0.30 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 2kk8 h LYS 37 Cb -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2kk8 h LYS 37 CO -0.07 0.38 -0.02 1.96 -0.57 0.00 0.00 179.45 181.12 2kk8 h GLN 38 N 0.00 0.83 0.00 3.15 4.20 -1.36 0.20 115.11 122.13 2kk8 h GLN 38 Ca -0.00 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.29 2kk8 h GLN 38 Cb 0.69 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2kk8 h GLN 38 CO 0.05 0.85 -0.86 0.87 -0.67 0.00 0.00 178.83 179.07 2kk8 h LYS 39 N 0.77 0.01 -0.37 1.46 1.57 -1.18 -2.94 116.57 115.88 2kk8 h LYS 39 Ca 0.14 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2kk8 h LYS 39 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2kk8 h LYS 39 CO 0.02 0.86 0.11 0.82 -0.57 0.00 0.00 179.45 180.70 2kk8 h ILE 40 N 0.00 1.21 -0.93 1.86 2.04 -0.50 -3.00 117.51 118.20 2kk8 h ILE 40 Ca -0.01 -0.71 0.12 0.00 1.00 0.00 0.00 64.86 65.26 2kk8 h ILE 40 Cb 1.51 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 2kk8 h ILE 40 CO 0.11 0.25 0.60 -0.08 0.00 0.00 0.00 178.15 179.02 2kk8 h GLU 41 N 0.46 0.85 0.26 2.37 4.81 -0.51 0.38 114.58 123.20 2kk8 h GLU 41 Ca 0.12 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2kk8 h GLU 41 Cb 0.27 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kk8 h GLU 41 CO -0.00 0.57 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.63 2kk8 h ARG 42 N 0.88 -0.33 0.01 1.92 2.43 -1.39 0.18 114.38 118.08 2kk8 h ARG 42 Ca 0.45 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.44 2kk8 h ARG 42 Cb 0.51 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2kk8 h ARG 42 CO -0.21 -0.03 -0.89 1.03 -1.51 0.00 0.00 179.97 178.36 2kk8 h SER 43 N -0.65 0.23 1.41 -3.80 0.87 -1.39 -3.10 113.55 107.13 2kk8 h SER 43 Ca -0.04 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.26 2kk8 h SER 43 Cb 0.46 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2kk8 h SER 43 CO 0.06 1.01 -0.61 1.56 -0.53 0.00 0.00 176.83 178.32 2kk8 h GLN 44 N 0.10 0.00 -0.53 2.24 1.08 -1.00 -3.48 115.11 113.52 2kk8 h GLN 44 Ca -0.04 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.93 2kk8 h GLN 44 Cb 1.52 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.86 2kk8 h GLN 44 CO 0.13 0.25 -0.21 0.72 -0.95 0.00 0.00 178.83 178.78 2kk8 n HIS 45 N -3.05 0.00 -4.50 2.96 8.25 0.63 -4.88 115.22 114.63 2kk8 n HIS 45 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2kk8 n HIS 45 Cb 0.67 -2.23 -0.14 0.00 1.12 0.00 0.00 29.99 29.41 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 -2.32 3.24 0.58 1.59 -4.36 -1.17 -5.03 121.20 113.74 2kk8 s ILE 46 Ca 0.00 -0.58 -0.19 0.00 -0.26 0.00 0.00 60.65 59.62 2kk8 s ILE 46 Cb 0.00 -2.40 -0.06 0.00 1.25 0.00 0.00 42.46 41.26 2kk8 s ILE 46 CO 0.00 0.50 0.92 -2.65 0.24 0.00 0.00 174.94 173.94 2kk8 n PRO 47 N 3.83 0.89 -0.11 0.37 -0.02 -1.26 -4.35 135.00 134.35 2kk8 n PRO 47 Ca -0.18 0.34 0.20 0.00 -2.02 0.00 0.00 63.50 61.84 2kk8 n PRO 47 Cb 0.52 -2.10 0.62 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.54 0.71 0.00 -1.45 2.07 -1.94 0.22 116.25 116.40 2kk8 h VAL 48 Ca -0.48 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2kk8 h VAL 48 Cb 1.37 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2kk8 h VAL 48 CO 0.51 0.03 0.00 -1.20 0.02 0.00 0.00 177.57 176.93 2kk8 n SER 49 N -4.40 0.00 -0.50 0.57 7.64 -1.26 -1.88 113.62 113.78 2kk8 n SER 49 Ca 0.14 0.33 0.09 0.00 1.01 0.00 0.00 58.87 60.44 2kk8 n SER 49 Cb 0.66 -0.42 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.42 1.55 -2.98 1.43 5.02 0.76 -4.65 118.16 117.88 2kk8 n LYS 50 Ca 0.06 -1.06 -0.43 0.00 -2.02 0.00 0.00 58.31 54.85 2kk8 n LYS 50 Cb 0.18 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.02 3.46 -0.43 1.97 -0.21 -0.79 -0.60 119.66 121.04 2kk8 s GLN 51 Ca 0.17 -0.05 -0.16 0.00 0.02 0.00 0.00 55.36 55.34 2kk8 s GLN 51 Cb 0.15 -3.91 0.03 0.00 1.00 0.00 0.00 33.01 30.28 2kk8 s GLN 51 CO 0.42 -1.06 0.39 0.99 -2.12 0.00 0.00 175.29 173.91 2kk8 s THR 52 N 3.21 5.16 -0.68 -0.19 2.01 -0.73 -4.96 115.64 119.45 2kk8 s THR 52 Ca 0.29 -0.56 -0.27 0.00 0.31 0.00 0.00 61.69 61.46 2kk8 s THR 52 Cb -0.12 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.39 2kk8 s THR 52 CO 0.21 -0.41 1.37 -0.76 -0.69 0.00 0.00 174.62 174.34 2kk8 s LEU 53 N 1.92 3.24 -0.28 4.42 1.43 -1.26 -2.95 118.68 125.19 2kk8 s LEU 53 Ca 0.08 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2kk8 s LEU 53 Cb -0.19 -2.67 0.06 0.00 0.03 0.00 0.00 46.19 43.42 2kk8 s LEU 53 CO 0.11 -1.87 -0.06 -0.63 0.23 0.00 0.00 176.35 174.13 2kk8 s ILE 54 N 6.19 2.37 -0.39 -0.59 1.01 -1.09 -0.65 121.20 128.03 2kk8 s ILE 54 Ca 0.42 -1.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 2kk8 s ILE 54 Cb -0.09 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.99 2kk8 s ILE 54 CO 0.18 -0.13 0.23 0.54 0.00 0.00 0.00 174.94 175.76 2kk8 s VAL 55 N 1.11 4.52 0.00 2.92 0.11 -0.09 -0.69 120.40 128.27 2kk8 s VAL 55 Ca -0.05 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 2kk8 s VAL 55 Cb -0.20 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2kk8 s VAL 55 CO -0.05 -0.33 0.00 0.47 -3.33 0.00 0.00 175.10 171.86 2kk8 n ASP 56 N 4.99 0.00 -0.58 3.54 8.00 0.14 -1.43 116.55 131.22 2kk8 n ASP 56 Ca -0.11 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.37 2kk8 n ASP 56 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.00 0.71 3.03 0.44 0.00 -1.26 -4.97 105.19 103.13 2kk8 n GLY 57 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.34 0.03 -0.61 1.01 -0.52 -5.12 121.20 117.33 2kk8 s ILE 58 Ca 0.00 -0.55 -0.26 0.00 0.00 0.00 0.00 60.65 59.84 2kk8 s ILE 58 Cb 0.00 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2kk8 s ILE 58 CO 0.00 0.41 0.80 0.54 0.00 0.00 0.00 174.94 176.69 2kk8 s VAL 59 N 0.99 4.76 -0.30 2.92 0.11 -1.26 -0.91 120.40 126.72 2kk8 s VAL 59 Ca -0.07 1.70 -0.09 0.00 -2.93 0.00 0.00 61.98 60.59 2kk8 s VAL 59 Cb -0.15 -4.15 -0.00 0.00 -1.53 0.00 0.00 36.38 30.55 2kk8 s VAL 59 CO -0.01 0.32 0.13 -0.63 -3.33 0.00 0.00 175.10 171.58 2kk8 s ILE 60 N 0.18 4.39 -0.11 7.04 -1.09 0.17 -4.91 121.20 126.87 2kk8 s ILE 60 Ca 0.41 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.41 2kk8 s ILE 60 Cb -0.20 -3.24 0.14 0.00 -1.58 0.00 0.00 42.46 37.58 2kk8 s ILE 60 CO 0.24 0.08 1.08 0.18 -1.23 0.00 0.00 174.94 175.29 2kk8 n LEU 61 N 4.94 2.26 -4.39 2.97 4.77 -1.26 -4.53 117.00 121.76 2kk8 n LEU 61 Ca -0.14 -2.41 -0.39 0.00 -0.03 0.00 0.00 56.01 53.04 2kk8 n LEU 61 Cb 0.49 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 2kk8 n LEU 61 CO 0.33 0.59 -0.22 -0.13 -1.33 0.00 0.00 177.39 176.64 2kk8 s ARG 62 N -1.71 3.11 0.00 3.23 1.81 -1.26 -4.95 118.95 119.18 2kk8 s ARG 62 Ca 0.14 -0.86 0.22 0.00 -1.72 0.00 0.00 55.73 53.50 2kk8 s ARG 62 Cb 0.12 -3.55 -0.09 0.00 -0.45 0.00 0.00 34.95 30.98 2kk8 s ARG 62 CO 0.02 -0.50 1.00 0.39 -0.68 0.00 0.00 175.30 175.53 2kk8 n GLU 63 N 4.95 0.21 0.17 3.54 1.02 -1.26 -4.24 120.64 125.02 2kk8 n GLU 63 Ca -0.13 -0.17 0.06 0.00 -0.02 0.00 0.00 57.16 56.90 2kk8 n GLU 63 Cb 0.48 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.48 2kk8 n GLU 63 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kk8 h ASP 64 N 0.41 0.00 -4.02 1.62 3.58 -1.92 -2.07 116.42 114.01 2kk8 h ASP 64 Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2kk8 h ASP 64 Cb 0.54 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.62 2kk8 h ASP 64 CO 0.00 0.31 0.42 -0.76 -2.88 0.00 0.00 179.24 176.33 2kk8 s LEU 65 N -6.36 3.96 0.32 2.28 1.43 -1.26 -4.75 118.68 114.30 2kk8 s LEU 65 Ca 0.05 2.06 -0.04 0.00 -1.03 0.00 0.00 54.13 55.16 2kk8 s LEU 65 Cb 0.07 -4.38 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 2kk8 s LEU 65 CO 0.72 -0.75 0.58 0.42 0.23 0.00 0.00 176.35 177.55 2kk8 s THR 66 N -1.77 5.02 0.50 5.49 -4.23 -1.26 -0.19 115.64 119.20 2kk8 s THR 66 Ca 0.64 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 61.31 2kk8 s THR 66 Cb -0.21 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.14 2kk8 s THR 66 CO 0.26 -0.41 2.13 -0.37 -0.54 0.00 0.00 174.62 175.68 2kk8 h VAL 67 N 1.15 1.00 -0.13 2.29 -1.51 -1.53 -0.95 116.25 116.58 2kk8 h VAL 67 Ca -0.48 -0.03 -0.07 0.00 -1.23 0.00 0.00 66.70 64.89 2kk8 h VAL 67 Cb 1.20 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2kk8 h VAL 67 CO 0.65 0.01 -0.20 -0.08 -1.23 0.00 0.00 177.57 176.73 2kk8 h GLU 68 N 0.08 0.36 0.00 5.19 4.81 -1.82 -0.15 114.58 123.04 2kk8 h GLU 68 Ca 0.03 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2kk8 h GLU 68 Cb 0.03 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2kk8 h GLU 68 CO -0.01 0.80 -0.21 1.96 -0.73 0.00 0.00 179.01 180.82 2kk8 h GLN 69 N -0.05 0.00 -0.01 1.92 4.20 -1.70 -2.11 115.11 117.36 2kk8 h GLN 69 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kk8 h GLN 69 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2kk8 h GLN 69 CO 0.05 0.21 -0.26 0.00 -0.67 0.00 0.00 178.83 178.16 2kk8 n GLN 71 N -0.84 -6.75 -2.35 0.00 1.13 -0.79 -4.92 117.38 102.86 2kk8 n GLN 71 Ca 0.11 0.78 -0.42 0.00 -1.94 0.00 0.00 57.00 55.53 2kk8 n GLN 71 Cb 0.33 -5.63 -0.02 0.00 0.11 0.00 0.00 30.24 25.03 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 -3.32 3.83 0.08 5.09 -1.09 -0.12 -5.00 121.20 120.68 2kk8 s ILE 72 Ca 0.26 0.79 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 2kk8 s ILE 72 Cb -0.11 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 2kk8 s ILE 72 CO 0.68 -0.91 0.07 0.68 -1.23 0.00 0.00 174.94 174.23 2kk8 s VAL 73 N 5.84 4.48 0.17 2.92 -7.23 -1.26 -4.91 120.40 120.40 2kk8 s VAL 73 Ca 0.58 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.81 2kk8 s VAL 73 Cb -0.13 -3.16 0.05 0.00 0.56 0.00 0.00 36.38 33.70 2kk8 s VAL 73 CO 0.29 0.11 1.81 -0.65 -0.31 0.00 0.00 175.10 176.35 2kk8 h PRO 74 N 3.27 0.68 -4.67 4.82 0.11 -1.95 -3.34 132.00 130.92 2kk8 h PRO 74 Ca -0.47 -0.06 -0.70 0.00 0.11 0.00 0.00 66.00 64.88 2kk8 h PRO 74 Cb 1.16 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 2kk8 h PRO 74 CO 0.65 0.49 2.72 -2.37 -0.21 0.00 0.00 178.00 179.28 2kk8 n THR 75 N -4.70 3.68 -3.78 -1.15 5.66 -1.26 -3.81 114.28 108.92 2kk8 n THR 75 Ca 0.02 -3.50 -0.10 0.00 -3.05 0.00 0.00 64.05 57.43 2kk8 n THR 75 Cb 0.05 -2.50 -0.05 0.00 -1.55 0.00 0.00 70.33 66.28 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 3.48 -0.18 -1.30 1.09 0.01 -1.26 -5.07 113.70 110.48 2kk8 s SER 76 Ca 0.49 -0.56 -0.16 0.00 1.31 0.00 0.00 55.95 57.04 2kk8 s SER 76 Cb 0.10 0.53 0.10 0.00 0.21 0.00 0.00 66.02 66.96 2kk8 s SER 76 CO -0.02 -0.99 1.73 -0.67 0.41 0.00 0.00 173.24 173.70 2kk8 n ASP 77 N -0.30 4.89 -4.45 2.44 2.03 -1.26 -4.92 116.55 114.99 2kk8 n ASP 77 Ca -0.10 -2.94 -0.43 0.00 0.52 0.00 0.00 54.79 51.84 2kk8 n ASP 77 Cb 0.63 -1.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.31 2kk8 n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kk8 s ILE 78 N 3.16 4.52 -0.17 5.18 1.01 -1.26 0.29 121.20 133.93 2kk8 s ILE 78 Ca 0.49 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 2kk8 s ILE 78 Cb 0.04 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.92 2kk8 s ILE 78 CO 0.03 -1.24 -0.04 -1.58 0.00 0.00 0.00 174.94 172.11 2kk8 s GLN 79 N 3.54 3.59 -0.55 2.79 2.00 0.13 -2.82 119.66 128.34 2kk8 s GLN 79 Ca 0.20 -0.55 -0.17 0.00 -2.00 0.00 0.00 55.36 52.83 2kk8 s GLN 79 Cb -0.18 -2.92 0.11 0.00 0.80 0.00 0.00 33.01 30.82 2kk8 s GLN 79 CO 0.11 0.14 0.58 -0.51 -0.50 0.00 0.00 175.29 175.11 2kk8 s LEU 80 N 0.61 5.79 -0.07 3.68 1.43 -0.69 -2.67 118.68 126.76 2kk8 s LEU 80 Ca -0.03 -1.58 -0.27 0.00 -1.03 0.00 0.00 54.13 51.22 2kk8 s LEU 80 Cb -0.14 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2kk8 s LEU 80 CO 0.03 -0.95 0.85 -0.70 0.23 0.00 0.00 176.35 175.81 2kk8 s GLU 81 N 2.07 4.45 -0.21 1.70 2.12 -1.15 -4.18 118.70 123.49 2kk8 s GLU 81 Ca 0.07 1.15 -0.29 0.00 0.36 0.00 0.00 54.97 56.25 2kk8 s GLU 81 Cb -0.27 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.63 2kk8 s GLU 81 CO 0.05 -0.09 1.16 0.54 -0.54 0.00 0.00 175.26 176.38 2kk8 s VAL 82 N 1.27 4.44 0.31 3.70 0.11 -1.26 -1.78 120.40 127.18 2kk8 s VAL 82 Ca 0.44 1.73 0.04 0.00 -2.93 0.00 0.00 61.98 61.26 2kk8 s VAL 82 Cb -0.19 -4.16 0.05 0.00 -1.53 0.00 0.00 36.38 30.55 2kk8 s VAL 82 CO 0.20 -0.20 0.42 -0.24 -3.33 0.00 0.00 175.10 171.95 2kk8 n SER 83 N 6.59 1.02 -0.32 3.54 2.88 0.23 -4.99 113.62 122.57 2kk8 n SER 83 Ca 0.13 -1.76 0.15 0.00 -1.33 0.00 0.00 58.87 56.06 2kk8 n SER 83 Cb 0.46 -0.23 0.66 0.00 -0.75 0.00 0.00 64.21 64.35 2kk8 n SER 83 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27