#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 2.81 3.15 3.03 0.00 -1.26 -5.15 105.19 107.77 2kk8 n GLY 2 Ca 0.00 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.52 2kk8 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kk8 s HIS 3 N -3.74 -1.44 0.06 1.61 5.65 -1.26 -5.09 115.29 111.08 2kk8 s HIS 3 Ca 0.15 1.43 -0.26 0.00 0.25 0.00 0.00 55.06 56.62 2kk8 s HIS 3 Cb -0.00 0.47 -0.13 0.00 -1.18 0.00 0.00 32.58 31.74 2kk8 s HIS 3 CO 0.11 -0.79 1.41 1.25 -0.65 0.00 0.00 174.74 176.06 2kk8 h HIS 4 N 7.98 -1.03 -3.50 3.88 -0.00 -2.09 -3.40 115.15 117.00 2kk8 h HIS 4 Ca -0.19 0.01 -0.61 0.00 -0.00 0.00 0.00 60.37 59.58 2kk8 h HIS 4 Cb 1.17 0.40 -0.12 0.00 -0.00 0.00 0.00 27.41 28.86 2kk8 h HIS 4 CO 0.11 -0.50 0.14 -1.58 -0.00 0.00 0.00 177.93 176.10 2kk8 s HIS 5 N -5.09 3.27 0.10 5.26 5.65 -1.26 -5.04 115.29 118.17 2kk8 s HIS 5 Ca -0.13 0.76 -0.05 0.00 0.25 0.00 0.00 55.06 55.89 2kk8 s HIS 5 Cb 0.03 -2.85 -0.05 0.00 -1.18 0.00 0.00 32.58 28.53 2kk8 s HIS 5 CO 0.44 -0.34 0.34 -1.01 -0.65 0.00 0.00 174.74 173.52 2kk8 s HIS 6 N 2.50 3.52 -0.01 3.88 4.02 -1.26 -5.10 115.29 122.83 2kk8 s HIS 6 Ca 0.25 0.57 0.00 0.00 1.02 0.00 0.00 55.06 56.91 2kk8 s HIS 6 Cb -0.15 -2.00 0.02 0.00 -1.02 0.00 0.00 32.58 29.42 2kk8 s HIS 6 CO 0.09 0.50 0.00 -3.38 1.02 0.00 0.00 174.74 172.97 2kk8 s HIS 7 N -1.53 0.13 0.33 1.40 0.00 -1.26 -5.15 115.29 109.21 2kk8 s HIS 7 Ca 0.36 0.03 0.08 0.00 -3.00 0.00 0.00 55.06 52.53 2kk8 s HIS 7 Cb -0.13 -0.20 -0.03 0.00 -4.00 0.00 0.00 32.58 28.22 2kk8 s HIS 7 CO 0.22 -0.06 0.25 -1.01 -1.00 0.00 0.00 174.74 173.14 2kk8 s HIS 8 N 0.56 2.85 0.03 0.38 4.02 -1.26 -5.14 115.29 116.74 2kk8 s HIS 8 Ca -0.05 -0.32 0.00 0.00 1.02 0.00 0.00 55.06 55.71 2kk8 s HIS 8 Cb -0.07 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.58 29.72 2kk8 s HIS 8 CO -0.01 0.24 -0.04 -1.12 1.02 0.00 0.00 174.74 174.83 2kk8 s SER 9 N -3.95 0.39 -0.32 1.40 0.01 -1.26 -4.79 113.70 105.18 2kk8 s SER 9 Ca 0.40 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 2kk8 s SER 9 Cb -0.05 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.31 2kk8 s SER 9 CO 0.25 -0.37 0.29 1.41 0.41 0.00 0.00 173.24 175.24 2kk8 n HIS 10 N 1.19 -2.97 -3.62 2.43 -0.00 -1.25 -4.98 115.22 106.02 2kk8 n HIS 10 Ca -0.21 1.26 -0.38 0.00 -0.00 0.00 0.00 57.72 58.39 2kk8 n HIS 10 Cb 0.57 -3.19 -0.11 0.00 -0.00 0.00 0.00 29.99 27.26 2kk8 n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kk8 s MET 11 N -1.96 3.94 -1.00 -0.41 1.00 0.13 -4.84 119.30 116.16 2kk8 s MET 11 Ca 0.14 -0.33 -0.21 0.00 0.00 0.00 0.00 55.69 55.29 2kk8 s MET 11 Cb -0.03 -3.61 0.09 0.00 0.00 0.00 0.00 34.83 31.28 2kk8 s MET 11 CO 0.66 -0.14 1.32 0.15 0.00 0.00 0.00 175.02 177.01 2kk8 s LYS 12 N 1.63 3.62 0.03 2.03 1.02 -1.26 -1.67 119.74 125.15 2kk8 s LYS 12 Ca 0.07 -1.47 -0.22 0.00 0.02 0.00 0.00 55.97 54.37 2kk8 s LYS 12 Cb -0.16 -5.17 -0.06 0.00 -0.52 0.00 0.00 37.83 31.93 2kk8 s LYS 12 CO 0.09 -2.01 0.65 -0.59 -0.92 0.00 0.00 175.35 172.57 2kk8 s PHE 13 N 3.87 3.73 -0.60 3.18 -0.71 -1.01 -4.73 117.98 121.71 2kk8 s PHE 13 Ca 0.40 1.32 -0.27 0.00 -1.04 0.00 0.00 56.93 57.35 2kk8 s PHE 13 Cb -0.02 -2.66 -0.02 0.00 -1.21 0.00 0.00 43.02 39.10 2kk8 s PHE 13 CO -0.09 0.37 1.88 -1.17 -1.34 0.00 0.00 175.22 174.87 2kk8 s LEU 14 N -0.35 3.30 -0.93 -1.99 2.96 -1.26 -2.52 118.68 117.89 2kk8 s LEU 14 Ca 0.33 0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 54.41 2kk8 s LEU 14 Cb -0.19 -2.56 0.07 0.00 0.50 0.00 0.00 46.19 44.01 2kk8 s LEU 14 CO 0.20 -2.37 1.30 -0.69 -1.32 0.00 0.00 176.35 173.47 2kk8 s VAL 15 N 9.11 4.14 -0.70 1.68 1.01 0.66 -4.71 120.40 131.60 2kk8 s VAL 15 Ca 0.68 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2kk8 s VAL 15 Cb -0.13 -4.94 0.10 0.00 0.00 0.00 0.00 36.38 31.42 2kk8 s VAL 15 CO 0.21 -1.78 0.89 -0.70 0.00 0.00 0.00 175.10 173.73 2kk8 s GLU 16 N 4.40 3.21 -0.26 2.72 2.12 -1.25 -1.15 118.70 128.48 2kk8 s GLU 16 Ca 0.39 -1.29 -0.26 0.00 0.36 0.00 0.00 54.97 54.18 2kk8 s GLU 16 Cb -0.04 -4.40 0.00 0.00 0.26 0.00 0.00 34.13 29.96 2kk8 s GLU 16 CO -0.05 -1.68 0.90 1.21 -0.54 0.00 0.00 175.26 175.10 2kk8 s ASN 17 N 3.58 6.86 0.59 -1.70 3.84 -1.23 -3.65 114.94 123.23 2kk8 s ASN 17 Ca 0.20 1.03 0.36 0.00 0.21 0.00 0.00 52.86 54.66 2kk8 s ASN 17 Cb -0.17 -2.47 1.83 0.00 -0.55 0.00 0.00 41.25 39.90 2kk8 s ASN 17 CO 0.04 -0.62 2.18 -0.07 -2.79 0.00 0.00 177.10 175.83 2kk8 h LEU 18 N 9.43 0.00 -2.98 3.21 4.07 -1.94 -1.96 115.31 125.15 2kk8 h LEU 18 Ca -0.22 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 2kk8 h LEU 18 Cb 1.08 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 2kk8 h LEU 18 CO 0.92 0.04 -0.52 0.59 -1.08 0.00 0.00 178.44 178.39 2kk8 n ASN 19 N -3.29 1.64 0.00 -0.43 3.02 -1.26 -5.01 115.26 109.93 2kk8 n ASN 19 Ca -0.02 -3.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.04 2kk8 n ASN 19 Cb 0.18 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kk8 n GLY 20 N -0.90 3.55 2.95 7.41 0.00 -0.73 -5.01 105.19 112.45 2kk8 n GLY 20 Ca 0.16 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 1.44 0.42 -0.58 1.61 0.15 -1.25 -4.87 113.70 110.63 2kk8 s SER 21 Ca 0.00 -0.15 -0.28 0.00 0.70 0.00 0.00 55.95 56.22 2kk8 s SER 21 Cb 0.00 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2kk8 s SER 21 CO 0.00 -0.02 1.37 -0.44 1.20 0.00 0.00 173.24 175.35 2kk8 s SER 22 N -0.37 6.18 0.07 5.45 0.01 -1.25 -3.54 113.70 120.24 2kk8 s SER 22 Ca -0.02 0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.53 2kk8 s SER 22 Cb -0.03 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2kk8 s SER 22 CO -0.00 -1.69 -0.21 0.12 0.41 0.00 0.00 173.24 171.87 2kk8 s PHE 23 N 5.87 1.85 -0.84 2.43 5.36 -0.30 -4.91 117.98 127.43 2kk8 s PHE 23 Ca 0.50 -0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 55.86 2kk8 s PHE 23 Cb -0.10 -1.07 0.09 0.00 -0.34 0.00 0.00 43.02 41.60 2kk8 s PHE 23 CO 0.24 0.14 1.14 -1.21 -1.46 0.00 0.00 175.22 174.07 2kk8 s GLU 24 N -1.45 3.41 -0.34 10.12 2.02 -1.26 -0.24 118.70 130.96 2kk8 s GLU 24 Ca 0.08 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 2kk8 s GLU 24 Cb -0.09 -4.72 0.02 0.00 0.10 0.00 0.00 34.13 29.43 2kk8 s GLU 24 CO 0.03 -1.89 1.10 -1.17 0.02 0.00 0.00 175.26 173.35 2kk8 s LEU 25 N 3.75 3.89 -0.94 1.80 0.20 -1.05 -4.82 118.68 121.51 2kk8 s LEU 25 Ca 0.32 0.99 -0.21 0.00 0.69 0.00 0.00 54.13 55.92 2kk8 s LEU 25 Cb -0.08 -3.54 0.09 0.00 -0.43 0.00 0.00 46.19 42.22 2kk8 s LEU 25 CO -0.02 -0.94 1.26 -0.70 -0.29 0.00 0.00 176.35 175.66 2kk8 s GLU 26 N 3.80 3.54 0.08 1.98 2.12 -1.26 -2.41 118.70 126.56 2kk8 s GLU 26 Ca 0.47 -1.36 0.05 0.00 0.36 0.00 0.00 54.97 54.48 2kk8 s GLU 26 Cb -0.12 -5.02 -0.04 0.00 0.26 0.00 0.00 34.13 29.21 2kk8 s GLU 26 CO 0.18 -1.97 -0.01 0.54 -0.54 0.00 0.00 175.26 173.45 2kk8 s VAL 27 N 3.87 3.94 0.22 3.70 0.11 -0.67 -4.82 120.40 126.76 2kk8 s VAL 27 Ca 0.38 -0.99 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 2kk8 s VAL 27 Cb -0.04 -2.86 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 2kk8 s VAL 27 CO -0.07 0.14 0.15 -0.62 -3.33 0.00 0.00 175.10 171.37 2kk8 s ASP 28 N -2.22 5.38 0.43 3.54 2.15 -1.26 0.20 116.67 124.90 2kk8 s ASP 28 Ca 0.25 -0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.26 2kk8 s ASP 28 Cb -0.12 -1.34 1.37 0.00 -0.30 0.00 0.00 42.92 42.54 2kk8 s ASP 28 CO 0.17 0.00 1.90 1.88 -0.17 0.00 0.00 175.17 178.95 2kk8 h TYR 29 N 1.86 0.00 0.00 -5.34 0.05 -1.90 -1.26 116.97 110.39 2kk8 h TYR 29 Ca -0.48 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.23 2kk8 h TYR 29 Cb 1.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 2kk8 h TYR 29 CO 0.58 0.00 -0.33 -0.09 -1.05 0.00 0.00 178.16 177.27 2kk8 h ARG 30 N 0.00 0.00 -7.19 4.88 2.43 -1.95 -2.82 114.38 109.73 2kk8 h ARG 30 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 2kk8 h ARG 30 Cb 0.30 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2kk8 h ARG 30 CO 0.00 0.33 0.38 -0.51 -1.51 0.00 0.00 179.97 178.66 2kk8 s ASP 31 N -6.58 6.08 0.14 -3.80 1.01 -0.47 -4.86 116.67 108.19 2kk8 s ASP 31 Ca -0.02 1.74 0.03 0.00 0.71 0.00 0.00 52.55 55.02 2kk8 s ASP 31 Cb 0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 2kk8 s ASP 31 CO 0.68 -0.96 0.21 -0.89 0.21 0.00 0.00 175.17 174.42 2kk8 s THR 32 N -2.49 4.96 0.42 -1.27 2.01 -1.26 -0.72 115.64 117.29 2kk8 s THR 32 Ca 0.62 -0.82 0.20 0.00 0.31 0.00 0.00 61.69 62.00 2kk8 s THR 32 Cb -0.14 -3.53 0.22 0.00 0.01 0.00 0.00 72.50 69.06 2kk8 s THR 32 CO 0.34 -0.07 2.00 -0.07 -0.69 0.00 0.00 174.62 176.14 2kk8 h LEU 33 N 2.39 0.00 -1.29 4.42 3.38 -0.82 0.93 115.31 124.32 2kk8 h LEU 33 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2kk8 h LEU 33 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2kk8 h LEU 33 CO 0.67 0.18 -0.33 0.25 0.09 0.00 0.00 178.44 179.30 2kk8 h LEU 34 N 0.00 0.00 0.19 1.67 5.85 -1.20 -3.07 115.31 118.75 2kk8 h LEU 34 Ca -0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 2kk8 h LEU 34 Cb 0.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.42 2kk8 h LEU 34 CO 0.02 0.33 -1.62 0.58 -0.34 0.00 0.00 178.44 177.42 2kk8 h VAL 35 N 0.00 1.10 0.00 1.05 2.07 -1.16 -3.32 116.25 115.99 2kk8 h VAL 35 Ca -0.00 -2.65 -0.04 0.00 0.82 0.00 0.00 66.70 64.83 2kk8 h VAL 35 Cb 0.67 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2kk8 h VAL 35 CO 0.04 0.84 -0.18 1.62 0.02 0.00 0.00 177.57 179.91 2kk8 h VAL 36 N 0.11 1.01 -0.42 2.57 3.04 -1.16 -1.28 116.25 120.12 2kk8 h VAL 36 Ca -0.29 -0.63 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 2kk8 h VAL 36 Cb 2.10 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 32.71 2kk8 h VAL 36 CO 0.20 0.17 0.15 0.11 -1.01 0.00 0.00 177.57 177.20 2kk8 h LYS 37 N 0.00 0.60 0.00 4.17 1.57 -1.63 0.89 116.57 122.17 2kk8 h LYS 37 Ca -0.00 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2kk8 h LYS 37 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2kk8 h LYS 37 CO 0.02 0.51 -0.33 1.96 -0.57 0.00 0.00 179.45 181.04 2kk8 h GLN 38 N 0.60 0.00 0.17 3.15 1.08 -1.36 -0.44 115.11 118.30 2kk8 h GLN 38 Ca 0.15 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.03 2kk8 h GLN 38 Cb 0.14 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.61 2kk8 h GLN 38 CO -0.01 0.33 -1.33 0.87 -0.95 0.00 0.00 178.83 177.74 2kk8 h LYS 39 N 0.00 0.59 -0.21 1.46 1.57 -1.10 -3.27 116.57 115.61 2kk8 h LYS 39 Ca -0.00 -0.85 -0.07 0.00 -1.87 0.00 0.00 60.65 57.85 2kk8 h LYS 39 Cb 0.72 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2kk8 h LYS 39 CO 0.04 1.40 -0.18 0.82 -0.57 0.00 0.00 179.45 180.96 2kk8 h ILE 40 N 0.23 1.23 -0.41 1.86 2.04 -0.56 -3.06 117.51 118.83 2kk8 h ILE 40 Ca -0.21 -1.03 0.09 0.00 1.00 0.00 0.00 64.86 64.71 2kk8 h ILE 40 Cb 2.01 1.27 -0.09 0.00 -0.74 0.00 0.00 36.82 39.27 2kk8 h ILE 40 CO 0.25 0.32 -0.23 -0.08 0.00 0.00 0.00 178.15 178.41 2kk8 h GLU 41 N 0.33 -0.15 -0.00 2.37 4.81 -1.13 0.38 114.58 121.18 2kk8 h GLU 41 Ca 0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2kk8 h GLU 41 Cb 0.51 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kk8 h GLU 41 CO 0.03 -0.10 -0.07 -2.13 -0.73 0.00 0.00 179.01 176.01 2kk8 n ARG 42 N -5.39 0.34 -0.12 1.92 0.63 -1.17 -0.53 116.66 112.33 2kk8 n ARG 42 Ca 0.02 -0.06 -0.25 0.00 -0.92 0.00 0.00 57.85 56.65 2kk8 n ARG 42 Cb 0.31 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.62 2kk8 n ARG 42 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2kk8 n SER 43 N -1.28 1.92 -0.22 6.15 2.88 -0.37 -4.59 113.62 118.10 2kk8 n SER 43 Ca 0.12 0.38 0.10 0.00 -1.33 0.00 0.00 58.87 58.14 2kk8 n SER 43 Cb 0.29 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 62.82 2kk8 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kk8 n GLN 44 N -4.34 0.54 -2.90 -1.46 1.13 0.12 -4.95 117.38 105.53 2kk8 n GLN 44 Ca -0.42 -0.45 -0.18 0.00 -1.94 0.00 0.00 57.00 54.01 2kk8 n GLN 44 Cb 0.77 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.66 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 -0.84 -1.62 -5.15 1.08 8.25 0.31 -4.95 115.22 112.30 2kk8 n HIS 45 Ca 0.06 0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 57.68 2kk8 n HIS 45 Cb 0.39 -3.83 -0.16 0.00 1.12 0.00 0.00 29.99 27.51 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 -3.06 1.83 0.71 1.59 -4.36 -1.22 -5.05 121.20 111.64 2kk8 s ILE 46 Ca 0.26 -0.98 -0.16 0.00 -0.26 0.00 0.00 60.65 59.51 2kk8 s ILE 46 Cb -0.11 -1.52 0.03 0.00 1.25 0.00 0.00 42.46 42.10 2kk8 s ILE 46 CO 0.32 0.52 1.24 -2.84 0.24 0.00 0.00 174.94 174.42 2kk8 s PRO 47 N -0.48 2.20 0.24 0.37 0.02 -1.26 -4.34 135.00 131.74 2kk8 s PRO 47 Ca 0.07 1.88 -0.05 0.00 0.02 0.00 0.00 61.00 62.92 2kk8 s PRO 47 Cb -0.09 -1.83 0.38 0.00 0.02 0.00 0.00 34.50 32.98 2kk8 s PRO 47 CO -0.00 -1.82 1.79 0.28 -0.33 0.00 0.00 177.00 176.92 2kk8 h VAL 48 N -0.08 0.86 0.00 3.83 2.07 -1.96 -0.72 116.25 120.25 2kk8 h VAL 48 Ca -0.49 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2kk8 h VAL 48 Cb 1.31 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2kk8 h VAL 48 CO 0.50 0.13 0.00 0.28 0.02 0.00 0.00 177.57 178.50 2kk8 h SER 49 N 0.69 0.00 0.12 0.57 0.02 -1.99 -2.61 113.55 110.34 2kk8 h SER 49 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2kk8 h SER 49 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2kk8 h SER 49 CO -0.27 0.00 -0.41 0.29 -1.14 0.00 0.00 176.83 175.30 2kk8 n LYS 50 N -2.85 0.92 -2.69 3.45 5.02 -0.34 -4.75 118.16 116.93 2kk8 n LYS 50 Ca 0.02 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.22 2kk8 n LYS 50 Cb 0.37 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.54 3.30 -0.55 1.97 -0.21 -0.84 -1.87 119.66 118.92 2kk8 s GLN 51 Ca 0.20 -0.79 -0.22 0.00 0.02 0.00 0.00 55.36 54.58 2kk8 s GLN 51 Cb 0.18 -4.53 0.06 0.00 1.00 0.00 0.00 33.01 29.72 2kk8 s GLN 51 CO 0.57 -2.02 0.80 0.99 -2.12 0.00 0.00 175.29 173.51 2kk8 s THR 52 N 4.71 4.61 -0.61 -0.19 2.01 -0.96 -4.99 115.64 120.22 2kk8 s THR 52 Ca 0.33 -0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 2kk8 s THR 52 Cb -0.09 -4.45 0.02 0.00 0.01 0.00 0.00 72.50 68.00 2kk8 s THR 52 CO 0.05 -1.02 1.30 -0.76 -0.69 0.00 0.00 174.62 173.50 2kk8 s LEU 53 N 3.33 3.37 -0.48 4.42 1.43 -1.26 -2.14 118.68 127.35 2kk8 s LEU 53 Ca 0.22 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.28 2kk8 s LEU 53 Cb -0.17 -3.00 0.12 0.00 0.03 0.00 0.00 46.19 43.18 2kk8 s LEU 53 CO 0.14 -1.65 0.36 -0.63 0.23 0.00 0.00 176.35 174.80 2kk8 s ILE 54 N 5.58 4.36 -0.33 -0.59 1.01 -0.80 0.17 121.20 130.59 2kk8 s ILE 54 Ca 0.45 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 2kk8 s ILE 54 Cb -0.09 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2kk8 s ILE 54 CO 0.23 -0.77 0.20 -0.69 0.00 0.00 0.00 174.94 173.92 2kk8 s VAL 55 N 1.40 4.96 -1.54 2.92 1.01 0.18 -1.23 120.40 128.10 2kk8 s VAL 55 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2kk8 s VAL 55 Cb -0.26 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2kk8 s VAL 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.43 2kk8 n ASP 56 N 5.05 -4.76 0.00 3.32 2.03 0.91 -0.89 116.55 122.21 2kk8 n ASP 56 Ca -0.13 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2kk8 n ASP 56 Cb 0.49 -3.64 0.00 0.00 -0.72 0.00 0.00 41.12 37.25 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 -1.11 0.70 3.36 0.27 0.00 -1.25 -4.96 105.19 102.20 2kk8 n GLY 57 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.44 3.85 -0.08 -0.61 -1.09 -0.07 -5.07 121.20 115.70 2kk8 s ILE 58 Ca 0.00 -0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 2kk8 s ILE 58 Cb 0.00 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 37.98 2kk8 s ILE 58 CO 0.00 0.29 1.69 0.54 -1.23 0.00 0.00 174.94 176.22 2kk8 s VAL 59 N 1.53 3.55 -0.48 2.92 0.11 -1.26 -0.65 120.40 126.12 2kk8 s VAL 59 Ca 0.05 0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 59.61 2kk8 s VAL 59 Cb -0.15 -3.46 0.09 0.00 -1.53 0.00 0.00 36.38 31.33 2kk8 s VAL 59 CO 0.01 -0.10 0.40 -0.63 -3.33 0.00 0.00 175.10 171.45 2kk8 s ILE 60 N 4.43 5.03 -2.16 7.04 -1.09 0.13 -4.88 121.20 129.70 2kk8 s ILE 60 Ca 0.75 -1.25 0.22 0.00 -2.23 0.00 0.00 60.65 58.13 2kk8 s ILE 60 Cb -0.32 -4.08 0.54 0.00 -1.58 0.00 0.00 42.46 37.01 2kk8 s ILE 60 CO 0.30 -0.65 1.47 0.18 -1.23 0.00 0.00 174.94 175.02 2kk8 n LEU 61 N 5.16 3.47 -4.38 2.97 4.77 -1.26 -4.44 117.00 123.29 2kk8 n LEU 61 Ca -0.12 -1.66 -0.45 0.00 -0.03 0.00 0.00 56.01 53.75 2kk8 n LEU 61 Cb 0.43 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2kk8 n LEU 61 CO 0.47 0.83 0.63 -0.13 -1.33 0.00 0.00 177.39 177.87 2kk8 s ARG 62 N -1.25 3.51 0.00 3.23 1.81 -1.26 -4.84 118.95 120.15 2kk8 s ARG 62 Ca 0.43 -2.01 0.28 0.00 -1.72 0.00 0.00 55.73 52.71 2kk8 s ARG 62 Cb 0.23 -4.59 1.19 0.00 -0.45 0.00 0.00 34.95 31.33 2kk8 s ARG 62 CO 0.31 -1.52 1.89 0.39 -0.68 0.00 0.00 175.30 175.69 2kk8 n GLU 63 N 5.35 0.02 0.07 3.54 1.02 -1.26 -3.07 120.64 126.31 2kk8 n GLU 63 Ca 0.14 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 2kk8 n GLU 63 Cb 0.47 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.86 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 -1.49 0.56 -4.84 1.62 2.03 -1.26 -0.78 116.55 112.38 2kk8 n ASP 64 Ca 0.07 0.55 -0.32 0.00 0.52 0.00 0.00 54.79 55.61 2kk8 n ASP 64 Cb 0.32 -0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 39.96 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 -4.05 4.01 0.60 -2.67 1.43 -1.17 -4.85 118.68 111.97 2kk8 s LEU 65 Ca 0.12 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2kk8 s LEU 65 Cb 0.14 -4.20 0.04 0.00 0.03 0.00 0.00 46.19 42.20 2kk8 s LEU 65 CO 0.58 -0.26 0.85 0.42 0.23 0.00 0.00 176.35 178.16 2kk8 s THR 66 N -2.07 2.62 0.38 5.49 -4.23 -1.26 -0.57 115.64 116.01 2kk8 s THR 66 Ca 0.56 -0.52 0.12 0.00 -1.18 0.00 0.00 61.69 60.67 2kk8 s THR 66 Cb -0.10 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.82 2kk8 s THR 66 CO 0.17 -0.03 1.86 0.58 -0.54 0.00 0.00 174.62 176.66 2kk8 h VAL 67 N -0.13 1.24 -0.26 2.29 2.07 -1.02 -2.82 116.25 117.61 2kk8 h VAL 67 Ca -0.43 -1.13 -0.12 0.00 0.82 0.00 0.00 66.70 65.84 2kk8 h VAL 67 Cb 1.30 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2kk8 h VAL 67 CO 0.55 0.33 -0.29 -0.08 0.02 0.00 0.00 177.57 178.10 2kk8 h GLU 68 N 0.03 0.67 -0.79 1.57 4.81 -1.74 -1.46 114.58 117.67 2kk8 h GLU 68 Ca 0.00 -0.36 0.10 0.00 -0.13 0.00 0.00 59.36 58.97 2kk8 h GLU 68 Cb 0.58 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 2kk8 h GLU 68 CO 0.04 0.97 0.52 1.96 -0.73 0.00 0.00 179.01 181.77 2kk8 h GLN 69 N 0.39 0.67 0.00 1.92 1.08 -1.81 -1.11 115.11 116.25 2kk8 h GLN 69 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kk8 h GLN 69 Cb 0.86 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2kk8 h GLN 69 CO 0.07 0.44 -0.60 0.00 -0.95 0.00 0.00 178.83 177.79 2kk8 n GLN 71 N -1.84 -5.41 -2.02 0.00 1.13 -0.42 -4.88 117.38 103.94 2kk8 n GLN 71 Ca 0.04 0.67 -0.42 0.00 -1.94 0.00 0.00 57.00 55.35 2kk8 n GLN 71 Cb 0.40 -5.37 -0.03 0.00 0.11 0.00 0.00 30.24 25.35 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 -3.57 3.61 0.11 5.09 1.01 -0.94 -5.00 121.20 121.51 2kk8 s ILE 72 Ca 0.06 0.74 0.09 0.00 0.00 0.00 0.00 60.65 61.53 2kk8 s ILE 72 Cb -0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2kk8 s ILE 72 CO 0.79 -0.07 -0.22 0.68 0.00 0.00 0.00 174.94 176.13 2kk8 s VAL 73 N 4.04 1.82 -0.89 2.92 -7.23 -1.26 -5.00 120.40 114.80 2kk8 s VAL 73 Ca 0.73 -1.60 0.12 0.00 -1.81 0.00 0.00 61.98 59.41 2kk8 s VAL 73 Cb -0.33 -1.65 0.11 0.00 0.56 0.00 0.00 36.38 35.07 2kk8 s VAL 73 CO 0.29 -0.04 1.37 -0.81 -0.31 0.00 0.00 175.10 175.60 2kk8 n PRO 74 N 1.02 0.03 0.00 4.82 -0.04 -1.26 -1.66 135.00 137.91 2kk8 n PRO 74 Ca -0.19 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 2kk8 n PRO 74 Cb 0.54 -1.57 0.32 0.00 -0.04 0.00 0.00 33.50 32.75 2kk8 n PRO 74 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kk8 n THR 75 N -1.63 0.00 -2.94 0.52 -2.24 -1.26 -4.35 114.28 102.38 2kk8 n THR 75 Ca 0.02 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 2kk8 n THR 75 Cb 0.12 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kk8 s SER 76 N -2.80 7.33 -0.86 3.42 0.15 -0.67 -4.97 113.70 115.30 2kk8 s SER 76 Ca 0.17 1.67 -0.25 0.00 0.70 0.00 0.00 55.95 58.24 2kk8 s SER 76 Cb 0.18 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 2kk8 s SER 76 CO 0.62 0.09 1.51 -0.62 1.20 0.00 0.00 173.24 176.04 2kk8 s ASP 77 N -1.39 6.05 -0.09 5.45 2.15 -1.26 -4.89 116.67 122.69 2kk8 s ASP 77 Ca 0.42 -0.78 0.01 0.00 0.43 0.00 0.00 52.55 52.63 2kk8 s ASP 77 Cb -0.21 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.83 2kk8 s ASP 77 CO 0.25 -1.90 -0.12 -0.63 -0.17 0.00 0.00 175.17 172.60 2kk8 s ILE 78 N 6.44 3.23 0.05 4.11 1.01 -1.26 -0.06 121.20 134.71 2kk8 s ILE 78 Ca 0.48 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 2kk8 s ILE 78 Cb -0.05 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2kk8 s ILE 78 CO 0.04 0.56 -0.03 0.00 0.00 0.00 0.00 174.94 175.51 2kk8 s GLN 79 N -0.29 0.63 -0.15 2.79 0.00 -0.37 -3.96 119.66 118.31 2kk8 s GLN 79 Ca 0.03 -1.23 0.00 0.00 -0.00 0.00 0.00 55.36 54.16 2kk8 s GLN 79 Cb -0.13 0.21 -0.01 0.00 0.00 0.00 0.00 33.01 33.08 2kk8 s GLN 79 CO 0.03 -0.11 -0.15 -0.51 0.00 0.00 0.00 175.29 174.54 2kk8 s LEU 80 N -2.93 2.53 -0.32 2.60 1.43 -1.24 -1.91 118.68 118.84 2kk8 s LEU 80 Ca 0.08 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2kk8 s LEU 80 Cb 0.08 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2kk8 s LEU 80 CO -0.09 0.10 0.22 -0.70 0.23 0.00 0.00 176.35 176.11 2kk8 s GLU 81 N 0.70 3.64 -0.63 1.70 2.12 -0.91 -3.70 118.70 121.62 2kk8 s GLU 81 Ca -0.07 -0.54 -0.26 0.00 0.36 0.00 0.00 54.97 54.46 2kk8 s GLU 81 Cb -0.16 -3.74 0.04 0.00 0.26 0.00 0.00 34.13 30.54 2kk8 s GLU 81 CO 0.02 -0.35 1.13 0.08 -0.54 0.00 0.00 175.26 175.60 2kk8 s VAL 82 N 1.73 4.05 -0.60 3.70 1.01 -1.26 -2.28 120.40 126.75 2kk8 s VAL 82 Ca 0.06 0.47 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 2kk8 s VAL 82 Cb -0.17 -4.73 0.01 0.00 0.00 0.00 0.00 36.38 31.49 2kk8 s VAL 82 CO 0.10 -1.45 1.43 -0.55 0.00 0.00 0.00 175.10 174.63 2kk8 s SER 83 N 3.24 6.06 0.00 3.32 0.15 -0.78 -5.05 113.70 120.63 2kk8 s SER 83 Ca 0.35 0.15 0.32 0.00 0.70 0.00 0.00 55.95 57.47 2kk8 s SER 83 Cb -0.10 -2.55 1.89 0.00 -1.71 0.00 0.00 66.02 63.55 2kk8 s SER 83 CO 0.19 -1.79 2.21 -1.20 1.20 0.00 0.00 173.24 173.85