#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 -0.41 -0.50 3.03 0.00 -1.26 -5.11 107.32 103.07 2kk8 s GLY 2 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 2kk8 s GLY 2 CO 0.00 1.35 0.30 -2.38 0.00 0.00 0.00 173.10 172.36 2kk8 s HIS 3 N -2.16 3.50 -1.06 1.90 0.00 -1.26 -4.96 115.29 111.25 2kk8 s HIS 3 Ca 0.18 -2.60 -0.07 0.00 -3.00 0.00 0.00 55.06 49.57 2kk8 s HIS 3 Cb 0.05 -3.18 -0.02 0.00 -4.00 0.00 0.00 32.58 25.43 2kk8 s HIS 3 CO -0.05 -0.91 2.84 -2.39 -1.00 0.00 0.00 174.74 173.24 2kk8 n HIS 4 N 4.06 1.95 -3.74 0.38 -0.00 -1.26 -4.82 115.22 111.79 2kk8 n HIS 4 Ca 0.02 -2.55 -0.14 0.00 -0.00 0.00 0.00 57.72 55.05 2kk8 n HIS 4 Cb 0.39 -1.94 -0.15 0.00 -0.00 0.00 0.00 29.99 28.30 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 0.19 -0.14 0.69 -1.40 5.65 -1.26 -5.16 115.29 113.86 2kk8 s HIS 5 Ca 0.62 0.45 -0.01 0.00 0.25 0.00 0.00 55.06 56.37 2kk8 s HIS 5 Cb 0.24 -0.13 0.10 0.00 -1.18 0.00 0.00 32.58 31.61 2kk8 s HIS 5 CO -0.09 -0.17 0.96 -1.01 -0.65 0.00 0.00 174.74 173.78 2kk8 s HIS 6 N 1.30 1.96 0.54 3.88 4.02 -1.26 -5.08 115.29 120.65 2kk8 s HIS 6 Ca -0.08 -0.15 -0.18 0.00 1.02 0.00 0.00 55.06 55.67 2kk8 s HIS 6 Cb -0.12 -2.98 -0.06 0.00 -1.02 0.00 0.00 32.58 28.40 2kk8 s HIS 6 CO -0.06 -1.53 1.04 -1.01 1.02 0.00 0.00 174.74 174.20 2kk8 s HIS 7 N -3.09 3.06 -0.51 1.40 4.02 -1.26 -4.90 115.29 114.01 2kk8 s HIS 7 Ca 0.64 1.53 -0.27 0.00 1.02 0.00 0.00 55.06 57.98 2kk8 s HIS 7 Cb -0.07 -3.00 -0.08 0.00 -1.02 0.00 0.00 32.58 28.41 2kk8 s HIS 7 CO 0.43 -0.89 2.42 0.72 1.02 0.00 0.00 174.74 178.44 2kk8 n HIS 8 N -1.56 1.40 -2.70 1.40 -0.00 -1.26 -4.85 115.22 107.66 2kk8 n HIS 8 Ca 0.09 0.13 -0.43 0.00 -0.00 0.00 0.00 57.72 57.50 2kk8 n HIS 8 Cb 0.53 -2.62 -0.01 0.00 -0.00 0.00 0.00 29.99 27.89 2kk8 n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kk8 s SER 9 N 11.65 6.82 -0.30 0.41 0.01 -1.26 -4.75 113.70 126.28 2kk8 s SER 9 Ca 1.02 -2.39 -0.02 0.00 1.31 0.00 0.00 55.95 55.87 2kk8 s SER 9 Cb -0.28 -2.52 0.19 0.00 0.21 0.00 0.00 66.02 63.62 2kk8 s SER 9 CO 0.29 -1.11 0.81 -2.28 0.41 0.00 0.00 173.24 171.35 2kk8 s HIS 10 N 3.57 -1.21 -0.07 2.43 5.65 -1.26 -4.90 115.29 119.50 2kk8 s HIS 10 Ca 0.48 0.68 0.04 0.00 0.25 0.00 0.00 55.06 56.51 2kk8 s HIS 10 Cb 0.01 0.21 -0.02 0.00 -1.18 0.00 0.00 32.58 31.60 2kk8 s HIS 10 CO 0.02 -0.71 -0.20 -1.64 -0.65 0.00 0.00 174.74 171.56 2kk8 s MET 11 N 2.84 2.68 -0.08 2.88 1.00 -0.40 -5.01 119.30 123.21 2kk8 s MET 11 Ca 0.18 -0.81 0.01 0.00 0.00 0.00 0.00 55.69 55.08 2kk8 s MET 11 Cb -0.06 -2.31 0.02 0.00 0.00 0.00 0.00 34.83 32.48 2kk8 s MET 11 CO -0.24 0.42 -0.10 0.15 0.00 0.00 0.00 175.02 175.26 2kk8 s LYS 12 N -0.24 1.56 0.07 2.03 1.02 -1.26 0.46 119.74 123.38 2kk8 s LYS 12 Ca -0.00 -0.32 0.06 0.00 0.02 0.00 0.00 55.97 55.73 2kk8 s LYS 12 Cb -0.13 -1.44 -0.03 0.00 -0.52 0.00 0.00 37.83 35.71 2kk8 s LYS 12 CO 0.03 -0.11 -0.17 -0.59 -0.92 0.00 0.00 175.35 173.59 2kk8 s PHE 13 N 1.13 1.50 -0.42 3.18 -0.71 -1.10 -4.95 117.98 116.61 2kk8 s PHE 13 Ca -0.06 -0.41 -0.29 0.00 -1.04 0.00 0.00 56.93 55.13 2kk8 s PHE 13 Cb -0.14 -0.85 0.01 0.00 -1.21 0.00 0.00 43.02 40.83 2kk8 s PHE 13 CO -0.02 0.11 1.32 -1.17 -1.34 0.00 0.00 175.22 174.13 2kk8 s LEU 14 N -1.60 3.63 -0.69 -1.99 2.96 -1.26 -1.99 118.68 117.74 2kk8 s LEU 14 Ca 0.03 0.77 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 2kk8 s LEU 14 Cb -0.09 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.09 2kk8 s LEU 14 CO 0.03 -1.35 1.22 -0.69 -1.32 0.00 0.00 176.35 174.24 2kk8 s VAL 15 N 5.05 3.87 0.26 1.68 1.01 0.52 -4.79 120.40 128.01 2kk8 s VAL 15 Ca 0.57 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 2kk8 s VAL 15 Cb -0.12 -4.84 -0.09 0.00 0.00 0.00 0.00 36.38 31.33 2kk8 s VAL 15 CO 0.31 -1.67 1.01 -0.70 0.00 0.00 0.00 175.10 174.05 2kk8 s GLU 16 N 5.32 4.75 -0.04 2.72 2.56 -0.98 -1.65 118.70 131.38 2kk8 s GLU 16 Ca 0.35 1.61 0.05 0.00 0.00 0.00 0.00 54.97 56.98 2kk8 s GLU 16 Cb -0.09 -3.21 -0.01 0.00 2.00 0.00 0.00 34.13 32.82 2kk8 s GLU 16 CO 0.17 0.37 -0.20 1.21 -0.56 0.00 0.00 175.26 176.26 2kk8 s ASN 17 N -1.09 2.42 0.25 -1.70 3.84 -1.26 0.20 114.94 117.60 2kk8 s ASN 17 Ca 0.43 -0.39 0.06 0.00 0.21 0.00 0.00 52.86 53.17 2kk8 s ASN 17 Cb -0.28 -0.57 0.31 0.00 -0.55 0.00 0.00 41.25 40.15 2kk8 s ASN 17 CO 0.35 0.20 1.59 0.25 -2.79 0.00 0.00 177.10 176.70 2kk8 h LEU 18 N 6.06 0.22 -6.12 3.21 5.85 -1.64 -3.42 115.31 119.46 2kk8 h LEU 18 Ca -0.34 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 2kk8 h LEU 18 Cb 1.17 -0.06 -0.24 0.00 0.37 0.00 0.00 40.66 41.89 2kk8 h LEU 18 CO 0.48 0.75 -0.43 0.21 -0.34 0.00 0.00 178.44 179.10 2kk8 s ASN 19 N -6.89 -0.86 0.00 1.25 2.47 -1.26 -5.03 114.94 104.63 2kk8 s ASN 19 Ca -0.04 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.28 2kk8 s ASN 19 Cb 0.12 1.69 0.00 0.00 -1.45 0.00 0.00 41.25 41.62 2kk8 s ASN 19 CO 0.79 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 174.46 2kk8 n GLY 20 N 5.40 -0.42 2.93 1.21 0.00 -1.26 -4.91 105.19 108.13 2kk8 n GLY 20 Ca 0.03 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.08 -0.12 1.61 0.15 -1.26 -5.07 113.70 104.93 2kk8 s SER 21 Ca 0.00 0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.60 2kk8 s SER 21 Cb 0.00 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2kk8 s SER 21 CO 0.00 -0.07 0.75 -0.44 1.20 0.00 0.00 173.24 174.68 2kk8 s SER 22 N 0.47 6.95 -0.04 5.45 0.01 -1.26 -4.53 113.70 120.74 2kk8 s SER 22 Ca -0.04 1.15 0.02 0.00 1.31 0.00 0.00 55.95 58.39 2kk8 s SER 22 Cb -0.05 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.77 2kk8 s SER 22 CO -0.02 -0.26 -0.07 0.12 0.41 0.00 0.00 173.24 173.42 2kk8 s PHE 23 N 1.50 0.96 -0.62 2.43 5.36 -0.66 -4.94 117.98 122.02 2kk8 s PHE 23 Ca 0.37 -0.29 -0.28 0.00 -0.96 0.00 0.00 56.93 55.77 2kk8 s PHE 23 Cb -0.17 -0.76 0.02 0.00 -0.34 0.00 0.00 43.02 41.77 2kk8 s PHE 23 CO 0.15 -0.19 1.33 -2.00 -1.46 0.00 0.00 175.22 173.06 2kk8 s GLU 24 N 0.68 3.29 -0.15 10.12 2.12 -1.26 -0.36 118.70 133.14 2kk8 s GLU 24 Ca -0.11 0.20 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 2kk8 s GLU 24 Cb -0.14 -4.12 -0.05 0.00 0.26 0.00 0.00 34.13 30.08 2kk8 s GLU 24 CO 0.01 -1.97 0.19 -1.17 -0.54 0.00 0.00 175.26 171.78 2kk8 s LEU 25 N 5.81 4.29 -0.42 2.70 0.20 -0.84 -4.90 118.68 125.52 2kk8 s LEU 25 Ca 0.45 0.41 -0.23 0.00 0.69 0.00 0.00 54.13 55.46 2kk8 s LEU 25 Cb -0.09 -2.18 0.02 0.00 -0.43 0.00 0.00 46.19 43.51 2kk8 s LEU 25 CO 0.22 0.24 0.78 -0.70 -0.29 0.00 0.00 176.35 176.60 2kk8 s GLU 26 N -0.15 3.54 0.46 1.98 2.12 -1.26 -2.69 118.70 122.70 2kk8 s GLU 26 Ca 0.13 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2kk8 s GLU 26 Cb -0.12 -3.89 0.01 0.00 0.26 0.00 0.00 34.13 30.39 2kk8 s GLU 26 CO 0.02 -1.01 0.08 1.33 -0.54 0.00 0.00 175.26 175.14 2kk8 n VAL 27 N 6.00 0.00 -4.17 3.70 0.24 0.17 -4.97 118.33 119.30 2kk8 n VAL 27 Ca 0.02 -2.09 -0.12 0.00 -2.04 0.00 0.00 64.34 60.11 2kk8 n VAL 27 Cb 0.48 0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 2kk8 n VAL 27 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kk8 s ASP 28 N -3.57 1.24 0.47 -1.34 -1.08 -1.26 -1.27 116.67 109.86 2kk8 s ASP 28 Ca 0.06 -0.93 0.13 0.00 -0.52 0.00 0.00 52.55 51.28 2kk8 s ASP 28 Cb -0.00 0.06 1.09 0.00 -1.46 0.00 0.00 42.92 42.61 2kk8 s ASP 28 CO 0.04 -0.39 2.10 1.88 0.52 0.00 0.00 175.17 179.32 2kk8 h TYR 29 N 3.19 0.19 -0.01 -5.34 -1.99 -1.95 -2.06 116.97 109.00 2kk8 h TYR 29 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 2kk8 h TYR 29 Cb 1.18 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.84 2kk8 h TYR 29 CO 0.61 0.14 -0.04 -2.13 -0.00 0.00 0.00 178.16 176.73 2kk8 n ARG 30 N -4.49 1.33 -2.88 4.88 0.63 -1.26 -1.63 116.66 113.24 2kk8 n ARG 30 Ca -0.01 -0.65 -0.40 0.00 -0.92 0.00 0.00 57.85 55.87 2kk8 n ARG 30 Cb 0.10 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.46 2kk8 n ARG 30 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kk8 s ASP 31 N -2.11 7.49 0.27 6.15 1.11 -0.78 -4.88 116.67 123.92 2kk8 s ASP 31 Ca 0.37 1.76 0.04 0.00 0.18 0.00 0.00 52.55 54.91 2kk8 s ASP 31 Cb 0.21 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.63 2kk8 s ASP 31 CO 0.38 0.17 0.41 0.42 1.18 0.00 0.00 175.17 177.73 2kk8 s THR 32 N -1.08 5.09 0.55 -1.27 -4.23 -1.26 -0.29 115.64 113.15 2kk8 s THR 32 Ca 0.38 -0.89 0.22 0.00 -1.18 0.00 0.00 61.69 60.23 2kk8 s THR 32 Cb -0.24 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.11 2kk8 s THR 32 CO 0.29 -0.35 2.14 -0.07 -0.54 0.00 0.00 174.62 176.08 2kk8 h LEU 33 N 1.05 0.00 -0.13 4.79 3.38 -0.99 0.45 115.31 123.87 2kk8 h LEU 33 Ca -0.51 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2kk8 h LEU 33 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kk8 h LEU 33 CO 0.60 0.00 -0.20 0.25 0.09 0.00 0.00 178.44 179.18 2kk8 h LEU 34 N 0.00 0.41 -0.62 1.67 5.85 -1.82 -2.70 115.31 118.11 2kk8 h LEU 34 Ca 0.06 -0.53 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 2kk8 h LEU 34 Cb 0.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kk8 h LEU 34 CO -0.00 0.86 -0.33 0.58 -0.34 0.00 0.00 178.44 179.21 2kk8 h VAL 35 N -0.03 1.28 -0.25 1.05 2.07 -1.55 -2.46 116.25 116.35 2kk8 h VAL 35 Ca 0.01 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 65.95 2kk8 h VAL 35 Cb 0.77 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2kk8 h VAL 35 CO 0.05 0.48 -0.30 1.62 0.02 0.00 0.00 177.57 179.44 2kk8 h VAL 36 N 0.62 1.28 -0.36 2.57 3.04 -1.03 -1.98 116.25 120.39 2kk8 h VAL 36 Ca 0.07 -1.38 -0.08 0.00 -1.01 0.00 0.00 66.70 64.30 2kk8 h VAL 36 Cb 0.85 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 2kk8 h VAL 36 CO 0.07 0.44 -0.10 0.11 -1.01 0.00 0.00 177.57 177.09 2kk8 h LYS 37 N 0.45 0.61 -0.18 4.17 1.57 -1.28 -0.68 116.57 121.24 2kk8 h LYS 37 Ca 0.06 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2kk8 h LYS 37 Cb 0.76 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2kk8 h LYS 37 CO 0.06 0.70 -0.16 1.96 -0.57 0.00 0.00 179.45 181.44 2kk8 h GLN 38 N 0.56 0.29 -0.26 3.15 4.20 -0.98 0.33 115.11 122.41 2kk8 h GLN 38 Ca 0.10 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2kk8 h GLN 38 Cb 0.51 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2kk8 h GLN 38 CO 0.03 0.45 -0.00 0.87 -0.67 0.00 0.00 178.83 179.51 2kk8 h LYS 39 N 0.27 0.46 -0.12 1.46 1.57 -0.62 -3.06 116.57 116.53 2kk8 h LYS 39 Ca 0.05 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2kk8 h LYS 39 Cb 0.45 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2kk8 h LYS 39 CO 0.03 0.63 -0.26 0.82 -0.57 0.00 0.00 179.45 180.10 2kk8 h ILE 40 N 0.23 1.24 0.00 1.86 2.04 -0.53 0.14 117.51 122.49 2kk8 h ILE 40 Ca 0.07 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2kk8 h ILE 40 Cb 0.42 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2kk8 h ILE 40 CO 0.01 0.33 -0.03 -0.08 0.00 0.00 0.00 178.15 178.38 2kk8 h GLU 41 N 0.19 0.00 0.05 2.37 4.81 -0.26 0.39 114.58 122.13 2kk8 h GLU 41 Ca 0.03 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.89 2kk8 h GLU 41 Cb 0.57 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 2kk8 h GLU 41 CO 0.04 0.03 -2.22 -2.13 -0.73 0.00 0.00 179.01 174.00 2kk8 n ARG 42 N -3.27 0.69 0.04 1.92 0.63 -0.70 -2.54 116.66 113.44 2kk8 n ARG 42 Ca -0.02 0.19 -0.12 0.00 -0.92 0.00 0.00 57.85 56.98 2kk8 n ARG 42 Cb 0.19 -1.62 -0.09 0.00 0.45 0.00 0.00 32.46 31.39 2kk8 n ARG 42 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2kk8 h SER 43 N 0.03 -0.13 0.25 6.15 0.87 -0.44 -3.30 113.55 116.98 2kk8 h SER 43 Ca -0.49 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2kk8 h SER 43 Cb 2.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2kk8 h SER 43 CO 0.01 0.35 -1.06 0.00 -0.53 0.00 0.00 176.83 175.59 2kk8 n GLN 44 N -4.94 0.20 -1.95 2.24 1.13 0.13 -4.96 117.38 109.23 2kk8 n GLN 44 Ca -0.09 -0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 54.79 2kk8 n GLN 44 Cb 0.26 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 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 -1.79 -0.44 -3.97 1.08 8.25 -1.05 -5.00 115.22 112.30 2kk8 n HIS 45 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 2kk8 n HIS 45 Cb 0.40 -3.08 -0.11 0.00 1.12 0.00 0.00 29.99 28.32 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 -2.72 4.55 0.65 1.59 -4.36 -1.24 -4.96 121.20 114.72 2kk8 s ILE 46 Ca 0.00 -0.11 -0.17 0.00 -0.26 0.00 0.00 60.65 60.11 2kk8 s ILE 46 Cb 0.00 -3.07 -0.03 0.00 1.25 0.00 0.00 42.46 40.61 2kk8 s ILE 46 CO 0.00 0.42 0.86 -2.65 0.24 0.00 0.00 174.94 173.81 2kk8 n PRO 47 N 4.00 0.65 -0.29 0.37 -0.02 -1.26 -3.82 135.00 134.62 2kk8 n PRO 47 Ca -0.16 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.65 2kk8 n PRO 47 Cb 0.52 -2.10 0.22 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.10 0.75 0.00 -1.45 2.07 -1.94 0.30 116.25 116.09 2kk8 h VAL 48 Ca -0.48 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2kk8 h VAL 48 Cb 1.36 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2kk8 h VAL 48 CO 0.48 0.12 0.00 -1.28 0.02 0.00 0.00 177.57 176.91 2kk8 h SER 49 N 0.64 0.00 0.09 0.57 0.87 -1.98 -1.56 113.55 112.18 2kk8 h SER 49 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2kk8 h SER 49 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2kk8 h SER 49 CO -0.35 0.00 -0.56 1.17 -0.53 0.00 0.00 176.83 176.56 2kk8 n LYS 50 N -2.43 0.72 -3.22 2.24 4.81 0.99 -4.79 118.16 116.48 2kk8 n LYS 50 Ca 0.01 -0.55 -0.45 0.00 -0.87 0.00 0.00 58.31 56.44 2kk8 n LYS 50 Cb 0.21 -1.49 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 2kk8 n LYS 50 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2kk8 s GLN 51 N -2.66 3.02 -0.47 1.64 -0.21 -0.59 -1.90 119.66 118.49 2kk8 s GLN 51 Ca 0.16 -1.47 -0.20 0.00 0.02 0.00 0.00 55.36 53.87 2kk8 s GLN 51 Cb 0.18 -4.27 0.04 0.00 1.00 0.00 0.00 33.01 29.96 2kk8 s GLN 51 CO 0.65 -1.41 0.62 0.99 -2.12 0.00 0.00 175.29 174.02 2kk8 s THR 52 N 2.15 4.86 -0.31 -0.19 2.01 -1.05 -4.98 115.64 118.14 2kk8 s THR 52 Ca 0.07 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2kk8 s THR 52 Cb -0.27 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.01 2kk8 s THR 52 CO 0.05 -0.68 1.25 -0.76 -0.69 0.00 0.00 174.62 173.78 2kk8 s LEU 53 N 2.70 3.89 -0.58 4.42 1.43 -1.23 -1.43 118.68 127.88 2kk8 s LEU 53 Ca 0.18 1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 54.29 2kk8 s LEU 53 Cb -0.16 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.66 2kk8 s LEU 53 CO 0.15 -1.03 0.54 -0.63 0.23 0.00 0.00 176.35 175.62 2kk8 s ILE 54 N 4.19 5.27 -0.29 -0.59 1.01 -0.16 0.05 121.20 130.68 2kk8 s ILE 54 Ca 0.54 -1.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2kk8 s ILE 54 Cb -0.16 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2kk8 s ILE 54 CO 0.21 -0.90 0.17 -0.69 0.00 0.00 0.00 174.94 173.74 2kk8 s VAL 55 N 1.39 5.01 0.00 2.92 1.01 -0.68 -1.26 120.40 128.80 2kk8 s VAL 55 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2kk8 s VAL 55 Cb -0.27 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2kk8 s VAL 55 CO 0.01 0.20 0.00 0.47 0.00 0.00 0.00 175.10 175.78 2kk8 n ASP 56 N 5.03 0.00 -0.47 3.32 9.92 -0.70 -1.33 116.55 132.32 2kk8 n ASP 56 Ca -0.14 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.11 2kk8 n ASP 56 Cb 0.51 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.98 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kk8 n GLY 57 N 0.00 0.73 3.22 0.44 0.00 -1.26 -4.49 105.19 103.83 2kk8 n GLY 57 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.76 -0.05 -0.61 1.01 -0.44 -5.10 121.20 117.77 2kk8 s ILE 58 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 2kk8 s ILE 58 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2kk8 s ILE 58 CO 0.00 0.50 1.39 0.54 0.00 0.00 0.00 174.94 177.36 2kk8 s VAL 59 N -0.21 3.87 -0.30 2.92 0.11 -1.26 -1.69 120.40 123.84 2kk8 s VAL 59 Ca 0.00 1.18 -0.08 0.00 -2.93 0.00 0.00 61.98 60.16 2kk8 s VAL 59 Cb -0.11 -3.76 0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2kk8 s VAL 59 CO 0.02 -0.04 0.10 -0.63 -3.33 0.00 0.00 175.10 171.23 2kk8 s ILE 60 N 2.81 4.16 -0.10 7.04 -1.09 0.11 -4.92 121.20 129.21 2kk8 s ILE 60 Ca 0.62 -0.63 0.15 0.00 -2.23 0.00 0.00 60.65 58.57 2kk8 s ILE 60 Cb -0.29 -3.14 0.33 0.00 -1.58 0.00 0.00 42.46 37.78 2kk8 s ILE 60 CO 0.24 0.06 1.16 0.18 -1.23 0.00 0.00 174.94 175.35 2kk8 n LEU 61 N 4.90 1.68 0.06 2.97 4.77 -1.26 -3.58 117.00 126.55 2kk8 n LEU 61 Ca -0.14 -2.70 -0.04 0.00 -0.03 0.00 0.00 56.01 53.10 2kk8 n LEU 61 Cb 0.48 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2kk8 n LEU 61 CO 0.32 0.82 0.10 0.03 -1.33 0.00 0.00 177.39 177.33 2kk8 h ARG 62 N 0.67 -0.25 -0.24 3.23 2.47 -1.99 -3.47 114.38 114.80 2kk8 h ARG 62 Ca -0.07 0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.56 2kk8 h ARG 62 Cb 1.35 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.69 2kk8 h ARG 62 CO 0.03 -0.17 -0.09 0.39 0.56 0.00 0.00 179.97 180.69 2kk8 n GLU 63 N -4.92 -1.61 -0.03 0.04 4.71 -1.26 -4.77 120.64 112.80 2kk8 n GLU 63 Ca -0.03 0.63 0.03 0.00 -0.01 0.00 0.00 57.16 57.78 2kk8 n GLU 63 Cb 0.10 -4.92 0.04 0.00 -1.01 0.00 0.00 31.44 25.65 2kk8 n GLU 63 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2kk8 n ASP 64 N -0.89 1.81 -4.60 1.62 2.03 -1.26 -3.35 116.55 111.91 2kk8 n ASP 64 Ca -0.05 -1.45 -0.34 0.00 0.52 0.00 0.00 54.79 53.46 2kk8 n ASP 64 Cb 0.48 -0.03 -0.11 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.68 3.29 0.47 -2.67 1.43 -1.26 -4.96 118.68 114.30 2kk8 s LEU 65 Ca 0.10 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 2kk8 s LEU 65 Cb 0.06 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 2kk8 s LEU 65 CO 0.09 0.35 0.88 -0.89 0.23 0.00 0.00 176.35 177.01 2kk8 s THR 66 N -0.74 4.69 0.21 5.49 2.01 -1.26 -0.45 115.64 125.59 2kk8 s THR 66 Ca 0.11 0.85 -0.09 0.00 0.31 0.00 0.00 61.69 62.87 2kk8 s THR 66 Cb -0.11 -3.75 0.15 0.00 0.01 0.00 0.00 72.50 68.80 2kk8 s THR 66 CO 0.02 -0.67 1.83 0.58 -0.69 0.00 0.00 174.62 175.68 2kk8 h VAL 67 N 0.82 1.02 0.00 3.82 2.07 -0.70 0.39 116.25 123.67 2kk8 h VAL 67 Ca -0.47 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2kk8 h VAL 67 Cb 1.19 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2kk8 h VAL 67 CO 0.63 0.14 -0.24 -0.08 0.02 0.00 0.00 177.57 178.04 2kk8 h GLU 68 N 0.78 0.00 0.10 1.57 4.81 -1.56 -0.41 114.58 119.87 2kk8 h GLU 68 Ca 0.30 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.29 2kk8 h GLU 68 Cb 0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2kk8 h GLU 68 CO -0.16 0.24 -1.22 1.96 -0.73 0.00 0.00 179.01 179.11 2kk8 h GLN 69 N 0.00 0.21 0.00 1.92 1.08 -1.47 -3.34 115.11 113.50 2kk8 h GLN 69 Ca -0.00 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2kk8 h GLN 69 Cb 0.65 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2kk8 h GLN 69 CO 0.03 1.17 -0.35 0.00 -0.95 0.00 0.00 178.83 178.73 2kk8 n GLN 71 N -1.67 -1.79 -2.64 0.00 1.13 -0.19 -4.90 117.38 107.32 2kk8 n GLN 71 Ca 0.05 1.75 -0.42 0.00 -1.94 0.00 0.00 57.00 56.44 2kk8 n GLN 71 Cb 0.36 -5.58 -0.03 0.00 0.11 0.00 0.00 30.24 25.10 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 -2.81 3.92 -0.17 5.09 -1.09 -1.06 -5.00 121.20 120.09 2kk8 s ILE 72 Ca 0.11 0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.52 2kk8 s ILE 72 Cb -0.03 -4.87 -0.04 0.00 -1.58 0.00 0.00 42.46 35.94 2kk8 s ILE 72 CO 0.76 -1.75 0.08 0.68 -1.23 0.00 0.00 174.94 173.49 2kk8 s VAL 73 N 5.16 5.01 -1.32 2.92 -7.23 -1.26 -4.98 120.40 118.70 2kk8 s VAL 73 Ca 0.32 0.04 0.16 0.00 -1.81 0.00 0.00 61.98 60.69 2kk8 s VAL 73 Cb -0.10 -3.24 0.24 0.00 0.56 0.00 0.00 36.38 33.85 2kk8 s VAL 73 CO 0.11 0.49 1.48 -2.65 -0.31 0.00 0.00 175.10 174.22 2kk8 n PRO 74 N 3.17 0.17 0.24 4.82 -0.02 -1.26 -2.12 135.00 140.00 2kk8 n PRO 74 Ca -0.17 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.60 2kk8 n PRO 74 Cb 0.53 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.99 2kk8 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kk8 h THR 75 N 0.00 0.22 -3.39 3.45 1.03 -2.01 -3.43 112.91 108.78 2kk8 h THR 75 Ca 0.00 -0.89 -0.55 0.00 -0.01 0.00 0.00 66.41 64.96 2kk8 h THR 75 Cb 0.18 1.73 -0.04 0.00 -1.07 0.00 0.00 68.15 68.96 2kk8 h THR 75 CO 0.00 0.10 0.08 -0.44 -0.01 0.00 0.00 175.52 175.25 2kk8 s SER 76 N -5.99 7.19 -0.52 0.00 0.01 -0.90 -4.98 113.70 108.51 2kk8 s SER 76 Ca 0.02 1.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.43 2kk8 s SER 76 Cb 0.08 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2kk8 s SER 76 CO 0.61 0.16 2.11 -0.62 0.41 0.00 0.00 173.24 175.91 2kk8 s ASP 77 N -0.69 4.97 -0.40 2.44 2.15 -1.26 -4.68 116.67 119.20 2kk8 s ASP 77 Ca 0.34 0.82 -0.10 0.00 0.43 0.00 0.00 52.55 54.04 2kk8 s ASP 77 Cb -0.21 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 39.95 2kk8 s ASP 77 CO 0.22 -2.52 0.23 -0.63 -0.17 0.00 0.00 175.17 172.30 2kk8 s ILE 78 N 10.22 4.36 0.03 4.11 1.01 -1.25 -1.72 121.20 137.97 2kk8 s ILE 78 Ca 0.83 -1.15 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2kk8 s ILE 78 Cb -0.16 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2kk8 s ILE 78 CO 0.25 -0.38 -0.23 -1.58 0.00 0.00 0.00 174.94 173.00 2kk8 s GLN 79 N 1.48 1.64 -0.40 2.79 0.74 -0.39 -2.31 119.66 123.22 2kk8 s GLN 79 Ca 0.02 -0.99 -0.21 0.00 0.05 0.00 0.00 55.36 54.23 2kk8 s GLN 79 Cb -0.21 -1.75 0.01 0.00 1.10 0.00 0.00 33.01 32.16 2kk8 s GLN 79 CO 0.04 0.46 0.67 -0.51 -0.55 0.00 0.00 175.29 175.40 2kk8 s LEU 80 N -1.08 4.34 -0.60 3.68 1.43 0.13 -0.99 118.68 125.59 2kk8 s LEU 80 Ca 0.09 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 2kk8 s LEU 80 Cb -0.09 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.38 2kk8 s LEU 80 CO 0.01 -0.72 0.94 -0.70 0.23 0.00 0.00 176.35 176.12 2kk8 s GLU 81 N 2.86 3.22 -0.49 1.70 2.12 -0.51 -1.50 118.70 126.09 2kk8 s GLU 81 Ca 0.25 -0.55 -0.28 0.00 0.36 0.00 0.00 54.97 54.74 2kk8 s GLU 81 Cb -0.14 -4.14 0.01 0.00 0.26 0.00 0.00 34.13 30.13 2kk8 s GLU 81 CO 0.18 -1.64 1.39 0.54 -0.54 0.00 0.00 175.26 175.19 2kk8 s VAL 82 N 3.98 3.88 -0.69 3.70 0.11 -1.26 -2.52 120.40 127.59 2kk8 s VAL 82 Ca 0.26 0.83 -0.27 0.00 -2.93 0.00 0.00 61.98 59.88 2kk8 s VAL 82 Cb -0.15 -4.35 0.01 0.00 -1.53 0.00 0.00 36.38 30.36 2kk8 s VAL 82 CO 0.15 -0.97 1.50 -0.55 -3.33 0.00 0.00 175.10 171.89 2kk8 s SER 83 N 4.03 5.82 0.00 3.54 0.15 -0.80 -5.01 113.70 121.43 2kk8 s SER 83 Ca 0.56 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 57.33 2kk8 s SER 83 Cb -0.12 -2.55 1.59 0.00 -1.71 0.00 0.00 66.02 63.23 2kk8 s SER 83 CO 0.29 -2.05 1.94 -1.20 1.20 0.00 0.00 173.24 173.42