#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 1.63 0.13 -5.12 0.00 -1.26 -5.01 107.32 97.69 2kk8 s GLY 2 Ca 0.00 -1.27 0.23 0.00 0.00 0.00 0.00 44.72 43.68 2kk8 s GLY 2 CO 0.00 -1.29 0.96 -2.39 0.00 0.00 0.00 173.10 170.38 2kk8 n HIS 3 N -0.58 0.67 -2.46 1.90 1.44 -1.26 -4.83 115.22 110.10 2kk8 n HIS 3 Ca -0.08 0.20 -0.42 0.00 -2.01 0.00 0.00 57.72 55.41 2kk8 n HIS 3 Cb 0.56 -0.79 -0.03 0.00 0.12 0.00 0.00 29.99 29.85 2kk8 n HIS 3 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kk8 s HIS 4 N -3.36 3.49 0.58 -1.40 5.65 -1.26 -5.00 115.29 113.99 2kk8 s HIS 4 Ca -0.01 1.40 -0.18 0.00 0.25 0.00 0.00 55.06 56.52 2kk8 s HIS 4 Cb 0.11 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.10 2kk8 s HIS 4 CO 0.81 -1.03 1.11 -1.01 -0.65 0.00 0.00 174.74 173.97 2kk8 s HIS 5 N 0.75 2.70 0.21 3.88 0.09 -1.26 -4.99 115.29 116.67 2kk8 s HIS 5 Ca 0.56 1.55 -0.27 0.00 -0.00 0.00 0.00 55.06 56.90 2kk8 s HIS 5 Cb -0.29 -3.22 -0.09 0.00 -0.00 0.00 0.00 32.58 28.99 2kk8 s HIS 5 CO 0.31 -1.52 0.86 -3.38 -0.00 0.00 0.00 174.74 171.00 2kk8 s HIS 6 N -2.00 3.91 -0.15 1.40 -0.00 -1.26 -4.97 115.29 112.22 2kk8 s HIS 6 Ca 0.70 1.75 -0.00 0.00 -0.00 0.00 0.00 55.06 57.51 2kk8 s HIS 6 Cb -0.22 -2.86 -0.09 0.00 -0.00 0.00 0.00 32.58 29.41 2kk8 s HIS 6 CO 0.31 0.46 -0.15 0.72 -0.00 0.00 0.00 174.74 176.08 2kk8 n HIS 7 N 1.41 0.00 -1.98 0.38 -0.00 -1.26 -4.97 115.22 108.80 2kk8 n HIS 7 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.27 2kk8 n HIS 7 Cb 0.48 -0.58 -0.03 0.00 -0.00 0.00 0.00 29.99 29.86 2kk8 n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk8 s HIS 8 N -2.30 3.07 -1.91 4.41 0.00 -1.26 -4.89 115.29 112.41 2kk8 s HIS 8 Ca -0.21 0.68 0.18 0.00 -3.00 0.00 0.00 55.06 52.71 2kk8 s HIS 8 Cb 0.06 -3.88 0.07 0.00 -4.00 0.00 0.00 32.58 24.83 2kk8 s HIS 8 CO 0.34 -3.22 0.98 0.43 -1.00 0.00 0.00 174.74 172.27 2kk8 n SER 9 N 4.05 2.09 -4.69 7.38 7.64 -1.26 -4.91 113.62 123.92 2kk8 n SER 9 Ca 0.13 -1.54 -0.39 0.00 1.01 0.00 0.00 58.87 58.08 2kk8 n SER 9 Cb 0.39 0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kk8 s HIS 10 N -1.77 3.45 0.10 1.43 0.09 -1.26 -1.89 115.29 115.44 2kk8 s HIS 10 Ca 0.18 0.89 0.03 0.00 -0.00 0.00 0.00 55.06 56.15 2kk8 s HIS 10 Cb 0.14 -2.65 -0.04 0.00 -0.00 0.00 0.00 32.58 30.03 2kk8 s HIS 10 CO 0.33 0.01 -0.08 -1.64 -0.00 0.00 0.00 174.74 173.37 2kk8 s MET 11 N 1.19 0.85 -0.33 1.40 1.00 0.00 -4.95 119.30 118.46 2kk8 s MET 11 Ca 0.27 -1.28 -0.16 0.00 0.00 0.00 0.00 55.69 54.52 2kk8 s MET 11 Cb -0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 34.83 34.32 2kk8 s MET 11 CO 0.11 0.02 0.43 0.15 0.00 0.00 0.00 175.02 175.73 2kk8 s LYS 12 N -3.46 3.67 -0.11 2.03 1.02 -1.26 -1.62 119.74 120.01 2kk8 s LYS 12 Ca 0.10 -0.22 0.00 0.00 0.02 0.00 0.00 55.97 55.87 2kk8 s LYS 12 Cb 0.02 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2kk8 s LYS 12 CO -0.03 -0.53 -0.11 -0.59 -0.92 0.00 0.00 175.35 173.17 2kk8 s PHE 13 N 2.18 2.83 -0.28 3.18 -0.71 -0.37 -4.78 117.98 120.03 2kk8 s PHE 13 Ca 0.15 -0.43 -0.25 0.00 -1.04 0.00 0.00 56.93 55.36 2kk8 s PHE 13 Cb -0.16 -1.80 0.00 0.00 -1.21 0.00 0.00 43.02 39.85 2kk8 s PHE 13 CO 0.12 -0.06 0.87 -1.17 -1.34 0.00 0.00 175.22 173.65 2kk8 s LEU 14 N 0.03 4.06 -0.28 -1.99 2.96 -1.26 -2.41 118.68 119.79 2kk8 s LEU 14 Ca -0.03 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 2kk8 s LEU 14 Cb -0.14 -3.24 0.02 0.00 0.50 0.00 0.00 46.19 43.33 2kk8 s LEU 14 CO 0.04 -0.63 0.02 -0.69 -1.32 0.00 0.00 176.35 173.77 2kk8 s VAL 15 N 3.05 3.45 -0.51 1.68 1.01 -1.09 -4.39 120.40 123.59 2kk8 s VAL 15 Ca 0.36 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 2kk8 s VAL 15 Cb -0.14 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.49 2kk8 s VAL 15 CO 0.10 0.12 0.96 -0.70 0.00 0.00 0.00 175.10 175.58 2kk8 s GLU 16 N 1.41 3.44 -0.34 2.72 2.56 -0.43 -2.12 118.70 125.94 2kk8 s GLU 16 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.97 54.71 2kk8 s GLU 16 Cb -0.17 -3.99 0.01 0.00 2.00 0.00 0.00 34.13 31.98 2kk8 s GLU 16 CO -0.01 -1.39 0.86 1.21 -0.56 0.00 0.00 175.26 175.38 2kk8 s ASN 17 N 2.59 6.68 0.11 -1.70 2.47 -1.22 -0.95 114.94 122.91 2kk8 s ASN 17 Ca 0.35 0.62 0.22 0.00 0.42 0.00 0.00 52.86 54.47 2kk8 s ASN 17 Cb -0.11 -2.44 0.90 0.00 -1.45 0.00 0.00 41.25 38.15 2kk8 s ASN 17 CO 0.23 -0.74 1.70 -0.11 -3.72 0.00 0.00 177.10 174.46 2kk8 n LEU 18 N 6.50 0.34 -0.80 3.21 7.94 -1.04 -1.64 117.00 131.50 2kk8 n LEU 18 Ca 0.06 0.56 0.12 0.00 -1.11 0.00 0.00 56.01 55.63 2kk8 n LEU 18 Cb 0.48 -0.49 0.07 0.00 0.53 0.00 0.00 43.42 44.01 2kk8 n LEU 18 CO 0.54 -0.26 0.52 -3.20 -1.11 0.00 0.00 177.39 173.88 2kk8 n ASN 19 N -1.84 2.66 0.00 1.96 2.85 -1.26 -4.93 115.26 114.70 2kk8 n ASN 19 Ca 0.04 -1.83 0.00 0.00 -0.11 0.00 0.00 54.58 52.68 2kk8 n ASN 19 Cb 0.27 0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.46 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 1.37 1.76 3.19 8.20 0.00 -0.65 -5.16 105.19 113.89 2kk8 n GLY 20 Ca 0.12 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 1.81 0.26 0.50 1.61 0.15 -1.17 -4.80 113.70 112.07 2kk8 s SER 21 Ca 0.00 -0.99 -0.20 0.00 0.70 0.00 0.00 55.95 55.46 2kk8 s SER 21 Cb 0.00 0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 64.55 2kk8 s SER 21 CO 0.00 -0.73 1.09 -0.55 1.20 0.00 0.00 173.24 174.25 2kk8 s SER 22 N -2.97 6.08 -0.08 5.45 0.15 -1.26 -3.43 113.70 117.64 2kk8 s SER 22 Ca 0.15 2.08 -0.17 0.00 0.70 0.00 0.00 55.95 58.71 2kk8 s SER 22 Cb 0.06 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2kk8 s SER 22 CO -0.04 -0.97 0.41 0.12 1.20 0.00 0.00 173.24 173.96 2kk8 s PHE 23 N -1.83 -0.37 -0.49 3.44 5.36 -0.90 -4.93 117.98 118.25 2kk8 s PHE 23 Ca 0.69 0.77 -0.28 0.00 -0.96 0.00 0.00 56.93 57.14 2kk8 s PHE 23 Cb -0.21 0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.64 2kk8 s PHE 23 CO 0.25 -0.34 1.40 -1.21 -1.46 0.00 0.00 175.22 173.85 2kk8 s GLU 24 N -0.61 3.44 0.20 10.12 2.02 -1.26 -2.69 118.70 129.93 2kk8 s GLU 24 Ca -0.07 0.66 0.04 0.00 0.02 0.00 0.00 54.97 55.62 2kk8 s GLU 24 Cb -0.04 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 30.09 2kk8 s GLU 24 CO 0.03 -1.75 0.31 -0.51 0.02 0.00 0.00 175.26 173.36 2kk8 s LEU 25 N 5.71 4.27 -0.13 1.80 1.43 -1.01 -4.93 118.68 125.82 2kk8 s LEU 25 Ca 0.56 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2kk8 s LEU 25 Cb -0.12 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2kk8 s LEU 25 CO 0.29 -0.02 -0.15 -0.70 0.23 0.00 0.00 176.35 176.00 2kk8 s GLU 26 N -3.66 3.30 0.20 1.70 2.12 -1.26 -1.24 118.70 119.87 2kk8 s GLU 26 Ca 0.34 -0.73 0.09 0.00 0.36 0.00 0.00 54.97 55.03 2kk8 s GLU 26 Cb -0.10 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 2kk8 s GLU 26 CO 0.28 0.19 -0.18 0.14 -0.54 0.00 0.00 175.26 175.15 2kk8 s VAL 27 N 0.40 1.97 0.05 3.70 -7.23 -0.64 -4.94 120.40 113.71 2kk8 s VAL 27 Ca -0.12 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 57.97 2kk8 s VAL 27 Cb -0.16 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2kk8 s VAL 27 CO 0.06 -0.40 0.02 -0.62 -0.31 0.00 0.00 175.10 173.85 2kk8 s ASP 28 N -3.02 5.21 0.54 4.85 -1.08 -1.26 -0.82 116.67 121.09 2kk8 s ASP 28 Ca 0.21 -0.06 0.24 0.00 -0.52 0.00 0.00 52.55 52.43 2kk8 s ASP 28 Cb -0.04 -1.34 1.50 0.00 -1.46 0.00 0.00 42.92 41.58 2kk8 s ASP 28 CO 0.09 0.22 2.14 1.88 0.52 0.00 0.00 175.17 180.02 2kk8 h TYR 29 N 3.80 0.00 -0.01 -5.34 0.05 -1.79 -0.28 116.97 113.40 2kk8 h TYR 29 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2kk8 h TYR 29 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2kk8 h TYR 29 CO 0.61 0.07 -0.27 2.89 -1.05 0.00 0.00 178.16 180.40 2kk8 n ARG 30 N -3.97 1.06 -2.09 4.88 1.85 -1.26 -1.39 116.66 115.75 2kk8 n ARG 30 Ca -0.03 -0.71 -0.41 0.00 -1.00 0.00 0.00 57.85 55.70 2kk8 n ARG 30 Cb 0.16 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.06 2kk8 n ARG 30 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kk8 s ASP 31 N -2.43 6.74 0.21 2.89 2.15 -0.12 -4.77 116.67 121.34 2kk8 s ASP 31 Ca 0.24 2.70 -0.18 0.00 0.43 0.00 0.00 52.55 55.75 2kk8 s ASP 31 Cb 0.19 -2.65 -0.08 0.00 -0.30 0.00 0.00 42.92 40.09 2kk8 s ASP 31 CO 0.51 -0.57 0.67 -0.89 -0.17 0.00 0.00 175.17 174.72 2kk8 s THR 32 N -1.01 4.66 0.43 1.71 2.01 -1.26 -1.12 115.64 121.07 2kk8 s THR 32 Ca 0.50 1.12 0.36 0.00 0.31 0.00 0.00 61.69 63.99 2kk8 s THR 32 Cb -0.40 -3.80 0.39 0.00 0.01 0.00 0.00 72.50 68.69 2kk8 s THR 32 CO 0.52 0.19 2.18 -0.07 -0.69 0.00 0.00 174.62 176.75 2kk8 h LEU 33 N 3.38 0.00 -0.25 4.42 3.38 -0.86 0.14 115.31 125.52 2kk8 h LEU 33 Ca -0.48 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 2kk8 h LEU 33 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2kk8 h LEU 33 CO 0.65 0.03 -0.74 0.25 0.09 0.00 0.00 178.44 178.73 2kk8 h LEU 34 N 0.00 0.00 0.07 1.67 5.85 -1.48 -3.23 115.31 118.18 2kk8 h LEU 34 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2kk8 h LEU 34 Cb 0.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.28 2kk8 h LEU 34 CO 0.00 0.74 -0.57 0.58 -0.34 0.00 0.00 178.44 178.85 2kk8 h VAL 35 N 0.00 1.53 -0.55 1.05 2.07 -1.03 -3.26 116.25 116.06 2kk8 h VAL 35 Ca -0.01 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.25 2kk8 h VAL 35 Cb 1.45 3.02 -0.03 0.00 -1.52 0.00 0.00 31.29 34.21 2kk8 h VAL 35 CO 0.10 0.65 0.36 1.62 0.02 0.00 0.00 177.57 180.32 2kk8 h VAL 36 N -0.41 1.01 -0.42 2.57 3.04 -1.46 -1.33 116.25 119.26 2kk8 h VAL 36 Ca -0.09 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2kk8 h VAL 36 Cb 1.39 0.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 2kk8 h VAL 36 CO 0.11 0.10 0.24 0.11 -1.01 0.00 0.00 177.57 177.12 2kk8 h LYS 37 N 0.55 0.56 -0.02 4.17 1.57 -1.60 0.31 116.57 122.12 2kk8 h LYS 37 Ca 0.23 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2kk8 h LYS 37 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2kk8 h LYS 37 CO -0.06 0.41 -0.46 1.96 -0.57 0.00 0.00 179.45 180.73 2kk8 h GLN 38 N 0.57 0.05 -0.03 3.15 4.20 -1.30 0.84 115.11 122.59 2kk8 h GLN 38 Ca 0.15 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.59 2kk8 h GLN 38 Cb 0.00 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.80 2kk8 h GLN 38 CO -0.03 0.50 -0.94 0.87 -0.67 0.00 0.00 178.83 178.56 2kk8 h LYS 39 N 0.04 0.69 -0.78 1.46 1.57 -1.13 -3.17 116.57 115.25 2kk8 h LYS 39 Ca -0.00 -0.71 -0.02 0.00 -1.87 0.00 0.00 60.65 58.06 2kk8 h LYS 39 Cb 0.82 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2kk8 h LYS 39 CO 0.06 1.29 0.42 0.82 -0.57 0.00 0.00 179.45 181.48 2kk8 h ILE 40 N 0.37 1.23 0.00 1.86 2.04 -0.64 -0.55 117.51 121.83 2kk8 h ILE 40 Ca -0.11 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 2kk8 h ILE 40 Cb 1.60 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2kk8 h ILE 40 CO 0.19 0.26 -0.01 -0.08 0.00 0.00 0.00 178.15 178.50 2kk8 h GLU 41 N 1.09 0.00 0.00 2.37 4.81 -0.84 0.60 114.58 122.61 2kk8 h GLU 41 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2kk8 h GLU 41 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kk8 h GLU 41 CO -0.04 0.01 -0.35 -0.09 -0.73 0.00 0.00 179.01 177.81 2kk8 h ARG 42 N 0.00 0.00 -0.54 1.92 2.43 -1.29 -3.25 114.38 113.65 2kk8 h ARG 42 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2kk8 h ARG 42 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2kk8 h ARG 42 CO 0.00 0.00 -0.12 0.77 -1.51 0.00 0.00 179.97 179.11 2kk8 h SER 43 N -0.85 1.04 1.09 -3.80 0.02 -1.09 -2.39 113.55 107.58 2kk8 h SER 43 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2kk8 h SER 43 Cb 0.35 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2kk8 h SER 43 CO 0.00 1.16 -0.24 0.00 -1.14 0.00 0.00 176.83 176.61 2kk8 n GLN 44 N -4.14 0.19 -1.23 3.45 1.13 0.20 -4.92 117.38 112.06 2kk8 n GLN 44 Ca 0.01 0.11 -0.08 0.00 -1.94 0.00 0.00 57.00 55.11 2kk8 n GLN 44 Cb 0.41 -1.68 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2kk8 n GLN 44 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2kk8 n HIS 45 N -1.98 0.00 -4.77 1.08 8.25 -0.90 -4.99 115.22 111.91 2kk8 n HIS 45 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 2kk8 n HIS 45 Cb 0.40 -1.93 -0.14 0.00 1.12 0.00 0.00 29.99 29.44 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 -2.03 3.09 0.77 1.59 -4.36 -1.24 -4.99 121.20 114.04 2kk8 s ILE 46 Ca 0.00 -0.65 -0.14 0.00 -0.26 0.00 0.00 60.65 59.59 2kk8 s ILE 46 Cb 0.00 -2.29 0.05 0.00 1.25 0.00 0.00 42.46 41.47 2kk8 s ILE 46 CO 0.00 0.53 1.12 -0.81 0.24 0.00 0.00 174.94 176.02 2kk8 n PRO 47 N 3.39 0.35 0.22 0.37 -0.04 -1.26 -3.85 135.00 134.19 2kk8 n PRO 47 Ca -0.18 0.19 0.17 0.00 -0.04 0.00 0.00 63.50 63.64 2kk8 n PRO 47 Cb 0.53 -2.37 0.86 0.00 -0.04 0.00 0.00 33.50 32.48 2kk8 n PRO 47 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kk8 h VAL 48 N -0.60 0.41 0.00 0.52 3.04 -1.92 0.17 116.25 117.86 2kk8 h VAL 48 Ca -0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.18 2kk8 h VAL 48 Cb 1.31 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2kk8 h VAL 48 CO 0.46 0.00 -0.18 0.77 -1.01 0.00 0.00 177.57 177.61 2kk8 h SER 49 N 0.00 0.00 -0.00 3.17 4.64 -1.92 -2.49 113.55 116.95 2kk8 h SER 49 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2kk8 h SER 49 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2kk8 h SER 49 CO -0.00 0.18 -0.26 0.29 -0.87 0.00 0.00 176.83 176.17 2kk8 n LYS 50 N -3.47 1.63 -2.79 4.77 5.02 0.04 -3.81 118.16 119.54 2kk8 n LYS 50 Ca -0.01 -1.31 -0.44 0.00 -2.02 0.00 0.00 58.31 54.54 2kk8 n LYS 50 Cb 0.35 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -2.28 4.05 -0.93 1.97 -0.21 -0.94 -2.95 119.66 118.37 2kk8 s GLN 51 Ca 0.23 -2.33 -0.18 0.00 0.02 0.00 0.00 55.36 53.10 2kk8 s GLN 51 Cb 0.19 -5.27 0.14 0.00 1.00 0.00 0.00 33.01 29.07 2kk8 s GLN 51 CO 0.46 -1.98 1.12 0.99 -2.12 0.00 0.00 175.29 173.76 2kk8 s THR 52 N 2.71 4.79 -0.38 -0.19 2.01 -1.23 -4.99 115.64 118.35 2kk8 s THR 52 Ca 0.48 -1.67 -0.28 0.00 0.31 0.00 0.00 61.69 60.53 2kk8 s THR 52 Cb 0.00 -4.77 -0.01 0.00 0.01 0.00 0.00 72.50 67.73 2kk8 s THR 52 CO 0.03 -1.49 1.68 -0.76 -0.69 0.00 0.00 174.62 173.40 2kk8 s LEU 53 N 2.51 3.51 -0.33 4.42 1.43 -1.26 -2.00 118.68 126.95 2kk8 s LEU 53 Ca 0.32 1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 2kk8 s LEU 53 Cb -0.05 -3.43 0.07 0.00 0.03 0.00 0.00 46.19 42.81 2kk8 s LEU 53 CO -0.09 -1.68 0.06 -0.63 0.23 0.00 0.00 176.35 174.24 2kk8 s ILE 54 N 6.62 3.11 -0.44 -0.59 1.01 -0.33 0.25 121.20 130.83 2kk8 s ILE 54 Ca 0.73 -1.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 2kk8 s ILE 54 Cb -0.19 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.43 2kk8 s ILE 54 CO 0.32 -0.29 0.34 0.68 0.00 0.00 0.00 174.94 175.99 2kk8 s VAL 55 N 1.22 5.25 0.00 2.92 -7.23 -0.19 -0.39 120.40 121.98 2kk8 s VAL 55 Ca -0.01 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 2kk8 s VAL 55 Cb -0.20 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.73 2kk8 s VAL 55 CO -0.02 -0.42 0.00 -0.67 -0.31 0.00 0.00 175.10 173.68 2kk8 n ASP 56 N 5.18 0.00 -0.26 4.85 2.03 -0.04 -1.25 116.55 127.06 2kk8 n ASP 56 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2kk8 n ASP 56 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.29 3.14 0.27 0.00 -1.26 -5.02 105.19 102.62 2kk8 n GLY 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.12 -0.03 -0.61 1.01 -0.38 -5.10 121.20 118.21 2kk8 s ILE 58 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 2kk8 s ILE 58 Cb 0.00 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2kk8 s ILE 58 CO 0.00 0.54 0.99 0.54 0.00 0.00 0.00 174.94 177.01 2kk8 s VAL 59 N 1.15 4.82 -0.82 2.92 0.11 -1.26 -1.03 120.40 126.30 2kk8 s VAL 59 Ca 0.01 2.04 -0.23 0.00 -2.93 0.00 0.00 61.98 60.87 2kk8 s VAL 59 Cb -0.14 -4.31 0.07 0.00 -1.53 0.00 0.00 36.38 30.47 2kk8 s VAL 59 CO -0.09 0.11 1.19 -0.63 -3.33 0.00 0.00 175.10 172.35 2kk8 s ILE 60 N 1.32 4.15 -0.17 7.04 -1.09 0.14 -4.74 121.20 127.85 2kk8 s ILE 60 Ca 0.51 -0.48 0.22 0.00 -2.23 0.00 0.00 60.65 58.67 2kk8 s ILE 60 Cb -0.20 -4.85 -0.11 0.00 -1.58 0.00 0.00 42.46 35.71 2kk8 s ILE 60 CO 0.25 -1.69 0.86 0.18 -1.23 0.00 0.00 174.94 173.31 2kk8 n LEU 61 N 8.21 0.58 -4.69 2.97 4.77 -1.26 -4.56 117.00 123.02 2kk8 n LEU 61 Ca 0.12 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 2kk8 n LEU 61 Cb 0.48 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2kk8 n LEU 61 CO 0.64 -0.13 1.17 -0.13 -1.33 0.00 0.00 177.39 177.61 2kk8 s ARG 62 N -3.41 4.26 0.00 3.23 1.81 -1.26 -4.85 118.95 118.73 2kk8 s ARG 62 Ca -0.03 2.09 0.00 0.00 -1.72 0.00 0.00 55.73 56.07 2kk8 s ARG 62 Cb 0.11 -3.52 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 2kk8 s ARG 62 CO 0.83 -0.60 0.00 0.39 -0.68 0.00 0.00 175.30 175.24 2kk8 n GLU 63 N 5.20 3.14 0.13 3.54 1.02 -1.26 -4.68 120.64 127.73 2kk8 n GLU 63 Ca 0.14 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 2kk8 n GLU 63 Cb 0.42 -0.73 0.21 0.00 -0.02 0.00 0.00 31.44 31.32 2kk8 n GLU 63 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2kk8 h ASP 64 N 0.00 0.00 -3.58 1.62 2.03 -1.93 -1.32 116.42 113.24 2kk8 h ASP 64 Ca 0.00 -0.05 -0.47 0.00 -0.73 0.00 0.00 57.03 55.78 2kk8 h ASP 64 Cb 0.00 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.55 2kk8 h ASP 64 CO 0.00 0.02 0.16 -0.76 -1.03 0.00 0.00 179.24 177.63 2kk8 s LEU 65 N -5.15 3.24 0.23 0.15 1.43 -1.26 -4.84 118.68 112.47 2kk8 s LEU 65 Ca 0.07 0.66 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 2kk8 s LEU 65 Cb 0.10 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2kk8 s LEU 65 CO 0.68 -1.07 0.22 0.42 0.23 0.00 0.00 176.35 176.83 2kk8 s THR 66 N -2.97 4.66 0.14 5.49 -4.23 -1.26 -0.58 115.64 116.88 2kk8 s THR 66 Ca 0.54 -1.23 -0.19 0.00 -1.18 0.00 0.00 61.69 59.63 2kk8 s THR 66 Cb -0.10 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.25 2kk8 s THR 66 CO 0.44 -0.29 1.70 0.58 -0.54 0.00 0.00 174.62 176.51 2kk8 h VAL 67 N 1.54 0.75 0.00 2.29 2.07 -1.19 -1.10 116.25 120.61 2kk8 h VAL 67 Ca -0.49 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kk8 h VAL 67 Cb 1.23 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2kk8 h VAL 67 CO 0.62 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 177.90 2kk8 h GLU 68 N 0.01 0.00 -0.06 1.57 4.81 -1.51 -0.27 114.58 119.13 2kk8 h GLU 68 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kk8 h GLU 68 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kk8 h GLU 68 CO -0.26 0.22 0.00 1.04 -0.73 0.00 0.00 179.01 179.28 2kk8 n GLN 69 N -4.02 2.03 -0.00 1.92 6.02 -0.86 -3.64 117.38 118.82 2kk8 n GLN 69 Ca -0.02 -1.50 0.04 0.00 -0.01 0.00 0.00 57.00 55.51 2kk8 n GLN 69 Cb 0.30 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 2kk8 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kk8 n GLN 71 N -1.22 -1.05 -2.33 0.00 1.13 -0.22 -4.94 117.38 108.76 2kk8 n GLN 71 Ca 0.02 0.82 -0.41 0.00 -1.94 0.00 0.00 57.00 55.49 2kk8 n GLN 71 Cb 0.14 -5.01 -0.03 0.00 0.11 0.00 0.00 30.24 25.45 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 -2.61 3.73 0.15 5.09 1.01 -1.17 -4.98 121.20 122.41 2kk8 s ILE 72 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.36 2kk8 s ILE 72 Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2kk8 s ILE 72 CO 0.00 -1.07 -0.19 0.68 0.00 0.00 0.00 174.94 174.36 2kk8 s VAL 73 N 6.35 1.79 -0.98 2.92 -7.23 -1.26 -4.91 120.40 117.09 2kk8 s VAL 73 Ca 0.56 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 2kk8 s VAL 73 Cb -0.12 -1.76 0.07 0.00 0.56 0.00 0.00 36.38 35.13 2kk8 s VAL 73 CO 0.26 -0.24 1.27 -0.81 -0.31 0.00 0.00 175.10 175.27 2kk8 n PRO 74 N 0.53 0.01 0.28 4.82 -0.04 -1.26 -1.81 135.00 137.53 2kk8 n PRO 74 Ca -0.15 0.37 0.18 0.00 -0.04 0.00 0.00 63.50 63.86 2kk8 n PRO 74 Cb 0.56 -1.51 0.81 0.00 -0.04 0.00 0.00 33.50 33.32 2kk8 n PRO 74 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2kk8 h THR 75 N 0.00 0.00 -3.00 0.52 2.02 -1.96 -3.43 112.91 107.06 2kk8 h THR 75 Ca 0.00 -0.34 -0.62 0.00 0.77 0.00 0.00 66.41 66.23 2kk8 h THR 75 Cb 0.14 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 2kk8 h THR 75 CO 0.00 0.00 -0.56 -0.55 0.37 0.00 0.00 175.52 174.78 2kk8 s SER 76 N -5.38 5.85 -0.31 4.18 0.15 -0.75 -5.07 113.70 112.38 2kk8 s SER 76 Ca -0.00 0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.44 2kk8 s SER 76 Cb 0.10 -1.66 0.01 0.00 -1.71 0.00 0.00 66.02 62.76 2kk8 s SER 76 CO 0.48 0.15 1.09 -0.62 1.20 0.00 0.00 173.24 175.54 2kk8 s ASP 77 N -2.56 6.94 -0.37 5.45 2.15 -1.26 -4.89 116.67 122.13 2kk8 s ASP 77 Ca 0.32 1.11 -0.10 0.00 0.43 0.00 0.00 52.55 54.31 2kk8 s ASP 77 Cb -0.12 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2kk8 s ASP 77 CO 0.25 -0.87 0.19 -0.63 -0.17 0.00 0.00 175.17 173.94 2kk8 s ILE 78 N 3.64 4.31 -0.06 4.11 1.01 -1.26 -0.86 121.20 132.09 2kk8 s ILE 78 Ca 0.46 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 2kk8 s ILE 78 Cb -0.13 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2kk8 s ILE 78 CO 0.15 -0.27 0.23 -1.10 0.00 0.00 0.00 174.94 173.94 2kk8 s GLN 79 N 1.49 3.58 -0.77 2.79 -0.21 0.48 -1.31 119.66 125.71 2kk8 s GLN 79 Ca 0.01 -0.00 -0.12 0.00 0.02 0.00 0.00 55.36 55.26 2kk8 s GLN 79 Cb -0.20 -3.17 0.20 0.00 1.00 0.00 0.00 33.01 30.84 2kk8 s GLN 79 CO 0.05 0.73 0.69 -0.51 -2.12 0.00 0.00 175.29 174.13 2kk8 s LEU 80 N -1.22 6.47 -0.79 2.90 1.43 -0.13 -1.19 118.68 126.16 2kk8 s LEU 80 Ca 0.20 -2.63 -0.26 0.00 -1.03 0.00 0.00 54.13 50.41 2kk8 s LEU 80 Cb -0.13 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.95 2kk8 s LEU 80 CO 0.09 -0.57 1.45 -0.70 0.23 0.00 0.00 176.35 176.85 2kk8 s GLU 81 N 0.27 3.14 -0.21 1.70 2.12 -0.85 -2.49 118.70 122.39 2kk8 s GLU 81 Ca 0.16 -0.28 -0.32 0.00 0.36 0.00 0.00 54.97 54.89 2kk8 s GLU 81 Cb -0.14 -4.50 -0.09 0.00 0.26 0.00 0.00 34.13 29.66 2kk8 s GLU 81 CO -0.07 -2.33 2.10 1.55 -0.54 0.00 0.00 175.26 175.97 2kk8 n VAL 82 N 6.70 0.39 -3.94 3.70 3.14 -1.26 -3.58 118.33 123.49 2kk8 n VAL 82 Ca 0.14 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2kk8 n VAL 82 Cb 0.50 -2.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 2kk8 n VAL 82 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kk8 n SER 83 N 9.38 0.60 0.00 6.55 7.64 -1.15 -5.04 113.62 131.60 2kk8 n SER 83 Ca 0.31 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2kk8 n SER 83 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2kk8 n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49