#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 -0.51 2.84 3.03 0.00 -1.26 -5.00 105.19 104.28 2kk8 n GLY 2 Ca 0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.15 0.10 0.04 1.61 3.76 -1.26 -5.06 115.29 113.33 2kk8 s HIS 3 Ca 0.00 0.03 -0.32 0.00 -0.15 0.00 0.00 55.06 54.62 2kk8 s HIS 3 Cb 0.00 -0.17 -0.18 0.00 1.11 0.00 0.00 32.58 33.34 2kk8 s HIS 3 CO 0.00 -0.05 1.43 0.45 -0.85 0.00 0.00 174.74 175.72 2kk8 h HIS 4 N 6.69 -0.98 -2.75 1.40 -0.00 -2.09 -3.33 115.15 114.09 2kk8 h HIS 4 Ca -0.35 -0.02 -0.68 0.00 -0.00 0.00 0.00 60.37 59.32 2kk8 h HIS 4 Cb 1.17 0.32 -0.18 0.00 -0.00 0.00 0.00 27.41 28.72 2kk8 h HIS 4 CO 0.46 -0.59 0.44 -1.01 -0.00 0.00 0.00 177.93 177.22 2kk8 s HIS 5 N -5.52 2.98 -0.44 2.45 0.09 -1.26 -4.99 115.29 108.59 2kk8 s HIS 5 Ca -0.17 -1.02 -0.08 0.00 -0.00 0.00 0.00 55.06 53.79 2kk8 s HIS 5 Cb 0.02 -4.16 0.10 0.00 -0.00 0.00 0.00 32.58 28.54 2kk8 s HIS 5 CO 0.55 -1.44 0.28 -3.38 -0.00 0.00 0.00 174.74 170.76 2kk8 s HIS 6 N 2.94 3.40 -1.34 1.40 -0.00 -1.25 -4.98 115.29 115.46 2kk8 s HIS 6 Ca 0.21 -1.78 -0.06 0.00 -0.00 0.00 0.00 55.06 53.43 2kk8 s HIS 6 Cb -0.16 -3.20 0.11 0.00 -0.00 0.00 0.00 32.58 29.33 2kk8 s HIS 6 CO 0.02 -0.92 2.35 0.72 -0.00 0.00 0.00 174.74 176.91 2kk8 n HIS 7 N 4.87 2.64 -3.57 0.38 -0.00 -1.26 -4.80 115.22 113.48 2kk8 n HIS 7 Ca -0.08 -2.84 -0.23 0.00 -0.00 0.00 0.00 57.72 54.56 2kk8 n HIS 7 Cb 0.42 -1.91 -0.16 0.00 -0.00 0.00 0.00 29.99 28.34 2kk8 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 8 N -0.62 0.03 -1.18 4.41 4.02 -1.26 -5.07 115.29 115.62 2kk8 s HIS 8 Ca 0.53 -0.12 -0.21 0.00 1.02 0.00 0.00 55.06 56.27 2kk8 s HIS 8 Cb 0.17 -0.58 -0.02 0.00 -1.02 0.00 0.00 32.58 31.13 2kk8 s HIS 8 CO -0.08 -0.54 1.84 -1.12 1.02 0.00 0.00 174.74 175.87 2kk8 s SER 9 N 2.20 5.71 -0.45 1.40 0.01 -1.26 -4.68 113.70 116.63 2kk8 s SER 9 Ca 0.04 -1.79 0.06 0.00 1.31 0.00 0.00 55.95 55.56 2kk8 s SER 9 Cb -0.16 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.68 2kk8 s SER 9 CO -0.10 -2.34 0.72 -2.28 0.41 0.00 0.00 173.24 169.66 2kk8 s HIS 10 N 8.37 -1.54 -0.24 2.43 2.46 -1.26 -4.85 115.29 120.67 2kk8 s HIS 10 Ca 0.62 -0.15 -0.02 0.00 0.47 0.00 0.00 55.06 55.98 2kk8 s HIS 10 Cb 0.00 0.29 0.01 0.00 -0.13 0.00 0.00 32.58 32.76 2kk8 s HIS 10 CO 0.08 -1.13 -0.06 -1.64 -2.47 0.00 0.00 174.74 169.53 2kk8 s MET 11 N 1.36 3.02 -0.70 2.88 1.00 -0.89 -4.99 119.30 120.97 2kk8 s MET 11 Ca 0.23 -0.86 -0.16 0.00 0.00 0.00 0.00 55.69 54.90 2kk8 s MET 11 Cb -0.01 -2.99 0.16 0.00 0.00 0.00 0.00 34.83 31.99 2kk8 s MET 11 CO -0.07 -0.33 0.71 0.15 0.00 0.00 0.00 175.02 175.48 2kk8 s LYS 12 N 1.38 3.29 0.15 2.03 1.02 -1.26 -0.44 119.74 125.91 2kk8 s LYS 12 Ca 0.02 -1.91 -0.08 0.00 0.02 0.00 0.00 55.97 54.02 2kk8 s LYS 12 Cb -0.16 -4.40 -0.06 0.00 -0.52 0.00 0.00 37.83 32.69 2kk8 s LYS 12 CO -0.04 -1.40 0.44 -0.59 -0.92 0.00 0.00 175.35 172.84 2kk8 s PHE 13 N 1.40 3.49 -0.45 3.18 -0.71 -0.13 -4.29 117.98 120.47 2kk8 s PHE 13 Ca 0.13 0.74 -0.23 0.00 -1.04 0.00 0.00 56.93 56.53 2kk8 s PHE 13 Cb -0.19 -2.14 0.03 0.00 -1.21 0.00 0.00 43.02 39.51 2kk8 s PHE 13 CO -0.02 0.40 0.78 -1.17 -1.34 0.00 0.00 175.22 173.87 2kk8 s LEU 14 N -2.48 4.27 -0.98 -1.99 2.96 -1.26 -0.55 118.68 118.65 2kk8 s LEU 14 Ca 0.41 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.97 2kk8 s LEU 14 Cb -0.12 -2.94 0.10 0.00 0.50 0.00 0.00 46.19 43.72 2kk8 s LEU 14 CO 0.22 -0.92 1.27 -0.69 -1.32 0.00 0.00 176.35 174.91 2kk8 s VAL 15 N 3.27 4.39 -0.76 1.68 1.01 0.95 -4.69 120.40 126.26 2kk8 s VAL 15 Ca 0.29 -1.27 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 2kk8 s VAL 15 Cb -0.12 -4.90 0.06 0.00 0.00 0.00 0.00 36.38 31.42 2kk8 s VAL 15 CO 0.22 -1.69 1.13 -0.70 0.00 0.00 0.00 175.10 174.06 2kk8 s GLU 16 N 3.62 3.25 -0.45 2.72 2.12 -1.17 -0.66 118.70 128.14 2kk8 s GLU 16 Ca 0.39 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.60 2kk8 s GLU 16 Cb -0.03 -4.44 0.03 0.00 0.26 0.00 0.00 34.13 29.95 2kk8 s GLU 16 CO -0.09 -1.95 1.16 1.21 -0.54 0.00 0.00 175.26 175.05 2kk8 s ASN 17 N 3.84 6.65 0.42 -1.70 3.84 -1.14 -0.11 114.94 126.75 2kk8 s ASN 17 Ca 0.30 0.60 0.10 0.00 0.21 0.00 0.00 52.86 54.06 2kk8 s ASN 17 Cb -0.11 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 38.95 2kk8 s ASN 17 CO 0.07 -1.22 2.02 0.25 -2.79 0.00 0.00 177.10 175.43 2kk8 h LEU 18 N 11.15 0.29 -3.35 3.21 5.85 -1.82 -1.22 115.31 129.42 2kk8 h LEU 18 Ca -0.23 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 2kk8 h LEU 18 Cb 1.06 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2kk8 h LEU 18 CO 1.11 0.30 0.02 0.59 -0.34 0.00 0.00 178.44 180.12 2kk8 n ASN 19 N -4.41 3.89 0.00 1.25 3.02 -1.26 -4.90 115.26 112.85 2kk8 n ASN 19 Ca 0.00 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 2kk8 n ASN 19 Cb 0.15 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 -0.51 2.89 3.15 7.41 0.00 -0.47 -5.13 105.19 112.53 2kk8 n GLY 20 Ca 0.26 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 1.02 -0.23 -0.69 1.61 0.15 -1.14 -4.93 113.70 109.50 2kk8 s SER 21 Ca 0.00 0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.77 2kk8 s SER 21 Cb 0.00 0.47 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2kk8 s SER 21 CO 0.00 -0.17 1.19 -0.94 1.20 0.00 0.00 173.24 174.52 2kk8 s SER 22 N -0.23 6.22 -0.26 5.45 1.04 -1.26 -2.87 113.70 121.80 2kk8 s SER 22 Ca -0.03 -0.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 2kk8 s SER 22 Cb -0.03 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2kk8 s SER 22 CO 0.01 -1.68 0.19 0.12 0.98 0.00 0.00 173.24 172.86 2kk8 s PHE 23 N 5.22 3.28 -0.18 5.02 5.36 0.17 -4.81 117.98 132.04 2kk8 s PHE 23 Ca 0.34 0.21 -0.29 0.00 -0.96 0.00 0.00 56.93 56.22 2kk8 s PHE 23 Cb -0.10 -2.34 -0.00 0.00 -0.34 0.00 0.00 43.02 40.24 2kk8 s PHE 23 CO 0.16 -0.04 1.12 -2.00 -1.46 0.00 0.00 175.22 173.00 2kk8 s GLU 24 N 1.39 4.28 -0.05 10.12 2.12 -1.26 -0.03 118.70 135.26 2kk8 s GLU 24 Ca 0.08 1.49 0.06 0.00 0.36 0.00 0.00 54.97 56.96 2kk8 s GLU 24 Cb -0.15 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 2kk8 s GLU 24 CO 0.07 -0.60 -0.24 -1.17 -0.54 0.00 0.00 175.26 172.77 2kk8 s LEU 25 N 3.08 2.11 -0.27 2.70 0.20 0.29 -4.91 118.68 121.87 2kk8 s LEU 25 Ca 0.49 -0.48 -0.22 0.00 0.69 0.00 0.00 54.13 54.61 2kk8 s LEU 25 Cb -0.18 -1.38 -0.01 0.00 -0.43 0.00 0.00 46.19 44.19 2kk8 s LEU 25 CO 0.12 0.26 0.70 -0.70 -0.29 0.00 0.00 176.35 176.44 2kk8 s GLU 26 N -0.28 4.05 0.21 1.98 2.12 -1.26 -0.96 118.70 124.56 2kk8 s GLU 26 Ca -0.00 0.57 0.09 0.00 0.36 0.00 0.00 54.97 55.99 2kk8 s GLU 26 Cb -0.13 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 2kk8 s GLU 26 CO 0.03 -0.53 -0.16 0.14 -0.54 0.00 0.00 175.26 174.20 2kk8 s VAL 27 N 2.69 1.88 0.10 3.70 -7.23 0.41 -4.97 120.40 116.98 2kk8 s VAL 27 Ca 0.29 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2kk8 s VAL 27 Cb -0.15 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2kk8 s VAL 27 CO 0.10 -0.53 0.09 -0.62 -0.31 0.00 0.00 175.10 173.83 2kk8 s ASP 28 N -3.27 5.49 0.58 4.85 -1.08 -1.26 -2.10 116.67 119.88 2kk8 s ASP 28 Ca 0.23 -0.05 0.31 0.00 -0.52 0.00 0.00 52.55 52.52 2kk8 s ASP 28 Cb -0.02 -1.45 1.80 0.00 -1.46 0.00 0.00 42.92 41.79 2kk8 s ASP 28 CO 0.08 0.15 2.22 1.88 0.52 0.00 0.00 175.17 180.02 2kk8 h TYR 29 N 3.10 0.00 0.00 -5.34 -1.99 -1.90 -0.51 116.97 110.33 2kk8 h TYR 29 Ca -0.47 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.21 2kk8 h TYR 29 Cb 1.17 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.89 2kk8 h TYR 29 CO 0.60 0.03 -0.26 -0.09 -0.00 0.00 0.00 178.16 178.45 2kk8 h ARG 30 N 0.00 0.00 -6.80 4.88 2.43 -1.95 -2.10 114.38 110.84 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 0.09 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.69 2kk8 h ARG 30 CO 0.00 0.26 0.66 -0.51 -1.51 0.00 0.00 179.97 178.87 2kk8 s ASP 31 N -6.54 6.80 0.39 -3.80 1.01 -0.20 -4.84 116.67 109.48 2kk8 s ASP 31 Ca -0.02 2.60 -0.15 0.00 0.71 0.00 0.00 52.55 55.69 2kk8 s ASP 31 Cb 0.13 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 2kk8 s ASP 31 CO 0.66 -0.55 0.81 -0.89 0.21 0.00 0.00 175.17 175.41 2kk8 s THR 32 N -0.60 4.65 0.30 -1.27 2.01 -1.26 -0.89 115.64 118.57 2kk8 s THR 32 Ca 0.53 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 63.48 2kk8 s THR 32 Cb -0.39 -3.66 0.20 0.00 0.01 0.00 0.00 72.50 68.66 2kk8 s THR 32 CO 0.47 -0.37 1.89 -0.07 -0.69 0.00 0.00 174.62 175.85 2kk8 h LEU 33 N 1.73 0.80 -1.66 4.42 3.38 -0.49 -0.12 115.31 123.38 2kk8 h LEU 33 Ca -0.48 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.44 2kk8 h LEU 33 Cb 1.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2kk8 h LEU 33 CO 0.64 0.70 0.29 0.25 0.09 0.00 0.00 178.44 180.41 2kk8 h LEU 34 N 0.88 0.38 -0.16 1.67 5.85 -1.30 -0.92 115.31 121.70 2kk8 h LEU 34 Ca 0.21 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 2kk8 h LEU 34 Cb 0.13 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.08 2kk8 h LEU 34 CO -0.02 0.26 -0.57 0.58 -0.34 0.00 0.00 178.44 178.34 2kk8 h VAL 35 N 0.44 1.32 -0.00 1.05 2.07 -1.33 -2.93 116.25 116.86 2kk8 h VAL 35 Ca 0.18 -1.82 -0.11 0.00 0.82 0.00 0.00 66.70 65.76 2kk8 h VAL 35 Cb 0.16 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2kk8 h VAL 35 CO -0.04 0.57 -0.54 1.62 0.02 0.00 0.00 177.57 179.20 2kk8 h VAL 36 N 0.35 1.39 -0.65 2.57 3.04 -0.89 -1.48 116.25 120.58 2kk8 h VAL 36 Ca -0.03 -1.84 0.05 0.00 -1.01 0.00 0.00 66.70 63.87 2kk8 h VAL 36 Cb 1.20 1.99 -0.05 0.00 -2.01 0.00 0.00 31.29 32.42 2kk8 h VAL 36 CO 0.12 0.53 0.37 0.11 -1.01 0.00 0.00 177.57 177.69 2kk8 h LYS 37 N 0.00 0.68 -0.25 4.17 1.79 -1.14 0.67 116.57 122.49 2kk8 h LYS 37 Ca -0.01 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 2kk8 h LYS 37 Cb 0.95 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2kk8 h LYS 37 CO 0.07 0.45 -0.29 1.96 -1.08 0.00 0.00 179.45 180.56 2kk8 h GLN 38 N 0.70 0.50 0.11 3.15 4.20 -1.25 -0.06 115.11 122.47 2kk8 h GLN 38 Ca 0.28 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2kk8 h GLN 38 Cb 0.13 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2kk8 h GLN 38 CO -0.15 0.75 -0.05 0.87 -0.67 0.00 0.00 178.83 179.57 2kk8 h LYS 39 N 0.44 -0.14 -0.33 1.46 1.57 -0.48 -2.93 116.57 116.15 2kk8 h LYS 39 Ca 0.06 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2kk8 h LYS 39 Cb 0.73 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2kk8 h LYS 39 CO 0.06 0.04 -0.08 0.82 -0.57 0.00 0.00 179.45 179.72 2kk8 h ILE 40 N -0.30 1.22 -0.47 1.86 2.04 -0.77 -2.40 117.51 118.68 2kk8 h ILE 40 Ca -0.01 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.94 2kk8 h ILE 40 Cb 0.25 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 2kk8 h ILE 40 CO 0.02 0.32 0.32 -0.08 0.00 0.00 0.00 178.15 178.73 2kk8 h GLU 41 N 0.51 0.41 0.02 2.37 4.81 -0.89 0.27 114.58 122.08 2kk8 h GLU 41 Ca 0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2kk8 h GLU 41 Cb 0.45 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2kk8 h GLU 41 CO 0.02 0.27 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.39 2kk8 h ARG 42 N 0.43 0.04 -0.33 1.92 2.43 -1.27 -2.06 114.38 115.53 2kk8 h ARG 42 Ca 0.20 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 2kk8 h ARG 42 Cb 0.27 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2kk8 h ARG 42 CO -0.05 1.00 -0.43 0.77 -1.51 0.00 0.00 179.97 179.75 2kk8 h SER 43 N -0.89 0.91 0.69 -3.80 0.02 -1.08 -3.06 113.55 106.34 2kk8 h SER 43 Ca -0.02 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2kk8 h SER 43 Cb 1.05 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2kk8 h SER 43 CO 0.02 1.21 -0.74 0.00 -1.14 0.00 0.00 176.83 176.19 2kk8 n GLN 44 N -4.04 0.26 -1.69 3.45 1.13 0.91 -4.95 117.38 112.45 2kk8 n GLN 44 Ca -0.03 0.05 -0.16 0.00 -1.94 0.00 0.00 57.00 54.92 2kk8 n GLN 44 Cb 0.56 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 29.23 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 -1.99 -0.21 -4.76 1.08 8.25 -0.79 -4.99 115.22 111.81 2kk8 n HIS 45 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2kk8 n HIS 45 Cb 0.43 -2.95 -0.14 0.00 1.12 0.00 0.00 29.99 28.45 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 -2.66 3.06 0.69 1.59 -4.36 -1.15 -5.01 121.20 113.35 2kk8 s ILE 46 Ca 0.00 -0.66 -0.17 0.00 -0.26 0.00 0.00 60.65 59.56 2kk8 s ILE 46 Cb 0.00 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.44 2kk8 s ILE 46 CO 0.00 0.52 1.27 -2.16 0.24 0.00 0.00 174.94 174.81 2kk8 s PRO 47 N 0.36 2.32 0.46 0.37 0.04 -1.26 -4.16 135.00 133.14 2kk8 s PRO 47 Ca -0.11 1.97 0.18 0.00 0.04 0.00 0.00 61.00 63.08 2kk8 s PRO 47 Cb -0.16 -1.83 1.15 0.00 0.04 0.00 0.00 34.50 33.70 2kk8 s PRO 47 CO 0.06 -1.75 1.98 0.28 0.04 0.00 0.00 177.00 177.61 2kk8 h VAL 48 N 0.17 0.83 0.00 -0.36 2.07 -1.93 0.17 116.25 117.19 2kk8 h VAL 48 Ca -0.50 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2kk8 h VAL 48 Cb 1.32 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2kk8 h VAL 48 CO 0.51 0.05 -0.14 0.77 0.02 0.00 0.00 177.57 178.79 2kk8 h SER 49 N 0.28 0.00 -0.36 0.57 4.64 -1.99 -2.37 113.55 114.33 2kk8 h SER 49 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2kk8 h SER 49 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2kk8 h SER 49 CO -0.06 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 2kk8 n LYS 50 N -3.35 2.90 -3.31 4.77 5.02 -0.04 -4.85 118.16 119.30 2kk8 n LYS 50 Ca -0.00 -2.21 -0.46 0.00 -2.02 0.00 0.00 58.31 53.62 2kk8 n LYS 50 Cb 0.34 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 2kk8 n LYS 50 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2kk8 s GLN 51 N -1.28 3.99 -0.61 1.97 0.74 -0.67 -3.02 119.66 120.78 2kk8 s GLN 51 Ca 0.28 -2.91 -0.26 0.00 0.05 0.00 0.00 55.36 52.51 2kk8 s GLN 51 Cb 0.16 -4.55 0.04 0.00 1.10 0.00 0.00 33.01 29.76 2kk8 s GLN 51 CO 0.16 -1.30 1.10 0.99 -0.55 0.00 0.00 175.29 175.69 2kk8 s THR 52 N -0.57 4.12 -0.52 -0.34 2.01 -1.24 -4.97 115.64 114.13 2kk8 s THR 52 Ca 0.27 0.46 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 2kk8 s THR 52 Cb -0.10 -4.70 0.03 0.00 0.01 0.00 0.00 72.50 67.75 2kk8 s THR 52 CO -0.08 -1.37 1.09 -0.76 -0.69 0.00 0.00 174.62 172.81 2kk8 s LEU 53 N 4.67 3.69 -0.49 4.42 1.43 -1.26 -2.90 118.68 128.24 2kk8 s LEU 53 Ca 0.35 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 2kk8 s LEU 53 Cb -0.10 -3.28 0.09 0.00 0.03 0.00 0.00 46.19 42.93 2kk8 s LEU 53 CO 0.20 -1.29 0.42 -0.63 0.23 0.00 0.00 176.35 175.27 2kk8 s ILE 54 N 4.44 5.14 -0.40 -0.59 1.01 -0.45 -1.67 121.20 128.67 2kk8 s ILE 54 Ca 0.42 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2kk8 s ILE 54 Cb -0.08 -4.15 0.09 0.00 0.01 0.00 0.00 42.46 38.33 2kk8 s ILE 54 CO 0.27 -0.67 0.20 -0.69 0.00 0.00 0.00 174.94 174.05 2kk8 s VAL 55 N 1.61 3.53 -1.85 2.92 1.01 0.17 -1.21 120.40 126.58 2kk8 s VAL 55 Ca 0.04 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2kk8 s VAL 55 Cb -0.26 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2kk8 s VAL 55 CO 0.05 -0.56 0.00 0.47 0.00 0.00 0.00 175.10 175.06 2kk8 n ASP 56 N 4.70 -5.44 0.00 3.32 8.00 -0.13 -0.68 116.55 126.31 2kk8 n ASP 56 Ca -0.06 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2kk8 n ASP 56 Cb 0.42 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -0.73 2.09 3.70 0.44 0.00 -1.26 -5.05 105.19 104.38 2kk8 n GLY 57 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.58 5.07 -0.22 -0.61 1.01 0.14 -5.04 121.20 118.97 2kk8 s ILE 58 Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 60.65 61.71 2kk8 s ILE 58 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2kk8 s ILE 58 CO 0.00 0.23 0.71 0.54 0.00 0.00 0.00 174.94 176.42 2kk8 s VAL 59 N 1.05 4.95 -1.02 2.92 0.11 -1.26 -0.65 120.40 126.50 2kk8 s VAL 59 Ca 0.33 1.33 -0.23 0.00 -2.93 0.00 0.00 61.98 60.48 2kk8 s VAL 59 Cb -0.17 -4.01 0.04 0.00 -1.53 0.00 0.00 36.38 30.71 2kk8 s VAL 59 CO 0.14 0.03 1.53 -0.63 -3.33 0.00 0.00 175.10 172.85 2kk8 s ILE 60 N 2.32 3.86 -2.25 7.04 -1.09 -0.67 -4.66 121.20 125.74 2kk8 s ILE 60 Ca 0.31 -0.76 0.21 0.00 -2.23 0.00 0.00 60.65 58.19 2kk8 s ILE 60 Cb -0.16 -4.93 0.39 0.00 -1.58 0.00 0.00 42.46 36.19 2kk8 s ILE 60 CO 0.09 -1.81 1.35 0.18 -1.23 0.00 0.00 174.94 173.52 2kk8 n LEU 61 N 9.56 3.32 -4.11 2.97 4.77 -1.26 -4.70 117.00 127.56 2kk8 n LEU 61 Ca 0.35 -1.51 -0.34 0.00 -0.03 0.00 0.00 56.01 54.47 2kk8 n LEU 61 Cb 0.50 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2kk8 n LEU 61 CO 0.66 0.72 -0.28 -0.13 -1.33 0.00 0.00 177.39 177.03 2kk8 s ARG 62 N -1.40 2.02 0.00 3.23 1.81 -1.26 -4.93 118.95 118.42 2kk8 s ARG 62 Ca 0.36 -1.64 0.20 0.00 -1.72 0.00 0.00 55.73 52.92 2kk8 s ARG 62 Cb 0.21 -3.33 0.20 0.00 -0.45 0.00 0.00 34.95 31.58 2kk8 s ARG 62 CO 0.29 -0.88 1.18 0.39 -0.68 0.00 0.00 175.30 175.60 2kk8 n GLU 63 N 4.51 1.92 0.07 3.54 1.02 -1.26 -4.16 120.64 126.27 2kk8 n GLU 63 Ca -0.05 -1.80 0.13 0.00 -0.02 0.00 0.00 57.16 55.43 2kk8 n GLU 63 Cb 0.42 -1.40 0.47 0.00 -0.02 0.00 0.00 31.44 30.91 2kk8 n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kk8 n ASP 64 N 1.16 0.56 -4.90 1.62 5.75 -1.26 -1.00 116.55 118.48 2kk8 n ASP 64 Ca 0.13 0.54 -0.28 0.00 -0.01 0.00 0.00 54.79 55.17 2kk8 n ASP 64 Cb 0.51 -0.68 0.04 0.00 -1.03 0.00 0.00 41.12 39.96 2kk8 n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kk8 s LEU 65 N -4.05 3.06 0.40 -2.12 1.43 -1.26 -4.84 118.68 111.29 2kk8 s LEU 65 Ca 0.12 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2kk8 s LEU 65 Cb 0.14 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2kk8 s LEU 65 CO 0.58 -1.22 0.27 0.42 0.23 0.00 0.00 176.35 176.63 2kk8 s THR 66 N -3.17 2.70 0.46 5.49 -4.23 -1.26 -0.11 115.64 115.51 2kk8 s THR 66 Ca 0.56 -1.50 0.12 0.00 -1.18 0.00 0.00 61.69 59.68 2kk8 s THR 66 Cb -0.11 -3.01 0.25 0.00 1.34 0.00 0.00 72.50 70.97 2kk8 s THR 66 CO 0.48 -0.05 2.08 0.58 -0.54 0.00 0.00 174.62 177.17 2kk8 h VAL 67 N 1.25 1.07 -0.61 2.29 2.07 -1.06 -0.84 116.25 120.41 2kk8 h VAL 67 Ca -0.42 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2kk8 h VAL 67 Cb 1.26 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 2kk8 h VAL 67 CO 0.62 0.07 0.35 -0.08 0.02 0.00 0.00 177.57 178.56 2kk8 h GLU 68 N 0.24 0.83 0.03 1.57 4.81 -1.62 0.34 114.58 120.78 2kk8 h GLU 68 Ca 0.06 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2kk8 h GLU 68 Cb 0.03 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2kk8 h GLU 68 CO -0.01 0.59 -0.37 1.96 -0.73 0.00 0.00 179.01 180.45 2kk8 h GLN 69 N 0.84 0.07 -0.00 1.92 1.08 -1.50 -3.34 115.11 114.18 2kk8 h GLN 69 Ca 0.22 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2kk8 h GLN 69 Cb -0.01 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2kk8 h GLN 69 CO -0.04 1.06 -0.17 0.00 -0.95 0.00 0.00 178.83 178.73 2kk8 n GLN 71 N -1.24 -6.11 -2.08 0.00 6.02 0.10 -4.87 117.38 109.20 2kk8 n GLN 71 Ca 0.10 0.76 -0.43 0.00 -0.01 0.00 0.00 57.00 57.42 2kk8 n GLN 71 Cb 0.31 -5.62 -0.03 0.00 1.02 0.00 0.00 30.24 25.93 2kk8 n GLN 71 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kk8 s ILE 72 N -3.46 3.56 0.18 5.09 -1.09 -1.17 -4.95 121.20 119.36 2kk8 s ILE 72 Ca 0.08 0.56 0.03 0.00 -2.23 0.00 0.00 60.65 59.09 2kk8 s ILE 72 Cb -0.04 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 2kk8 s ILE 72 CO 0.76 -0.52 -0.04 0.68 -1.23 0.00 0.00 174.94 174.59 2kk8 s VAL 73 N 6.71 0.99 -0.17 2.92 -7.23 -1.26 -4.91 120.40 117.45 2kk8 s VAL 73 Ca 0.75 -2.03 0.28 0.00 -1.81 0.00 0.00 61.98 59.17 2kk8 s VAL 73 Cb -0.20 -2.07 0.30 0.00 0.56 0.00 0.00 36.38 34.97 2kk8 s VAL 73 CO 0.33 -0.55 1.84 1.55 -0.31 0.00 0.00 175.10 177.95 2kk8 h PRO 74 N 2.67 0.00 0.00 4.82 0.13 -1.92 -2.95 132.00 134.75 2kk8 h PRO 74 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2kk8 h PRO 74 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kk8 h PRO 74 CO 0.64 0.00 -0.71 1.79 -0.23 0.00 0.00 178.00 179.48 2kk8 h THR 75 N 0.00 0.15 -4.21 1.56 1.35 -1.96 -3.42 112.91 106.38 2kk8 h THR 75 Ca 0.00 -1.25 -0.50 0.00 -0.55 0.00 0.00 66.41 64.11 2kk8 h THR 75 Cb 0.30 1.80 0.04 0.00 -1.73 0.00 0.00 68.15 68.56 2kk8 h THR 75 CO 0.00 0.08 0.36 -0.94 -0.25 0.00 0.00 175.52 174.78 2kk8 s SER 76 N -5.77 6.33 -0.30 5.36 1.04 -1.11 -5.00 113.70 114.25 2kk8 s SER 76 Ca 0.02 1.38 -0.29 0.00 0.48 0.00 0.00 55.95 57.54 2kk8 s SER 76 Cb 0.08 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.76 2kk8 s SER 76 CO 0.75 -0.75 1.15 -0.62 0.98 0.00 0.00 173.24 174.75 2kk8 s ASP 77 N -3.88 6.87 -0.22 7.02 2.15 -1.26 -4.93 116.67 122.42 2kk8 s ASP 77 Ca 0.55 1.17 -0.04 0.00 0.43 0.00 0.00 52.55 54.66 2kk8 s ASP 77 Cb -0.11 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.04 2kk8 s ASP 77 CO 0.47 -0.91 0.09 -0.63 -0.17 0.00 0.00 175.17 174.01 2kk8 s ILE 78 N 3.81 0.16 0.11 4.11 1.01 -1.25 -0.96 121.20 128.20 2kk8 s ILE 78 Ca 0.49 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.71 2kk8 s ILE 78 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2kk8 s ILE 78 CO 0.17 -0.40 -0.21 -1.10 0.00 0.00 0.00 174.94 173.40 2kk8 s GLN 79 N 2.01 1.17 -0.24 2.79 -0.21 -0.35 -3.06 119.66 121.78 2kk8 s GLN 79 Ca 0.04 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.13 2kk8 s GLN 79 Cb -0.16 -1.43 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 2kk8 s GLN 79 CO -0.17 0.33 0.05 -0.51 -2.12 0.00 0.00 175.29 172.87 2kk8 s LEU 80 N -2.04 3.39 -0.30 2.90 1.43 0.84 -1.35 118.68 123.55 2kk8 s LEU 80 Ca 0.09 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2kk8 s LEU 80 Cb -0.09 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2kk8 s LEU 80 CO 0.05 -0.02 0.09 -0.70 0.23 0.00 0.00 176.35 176.00 2kk8 s GLU 81 N 1.50 3.03 -0.33 1.70 2.12 -1.14 -2.49 118.70 123.09 2kk8 s GLU 81 Ca 0.06 -0.90 -0.29 0.00 0.36 0.00 0.00 54.97 54.20 2kk8 s GLU 81 Cb -0.15 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 2kk8 s GLU 81 CO 0.03 -0.48 1.70 0.08 -0.54 0.00 0.00 175.26 176.05 2kk8 s VAL 82 N 1.49 3.58 0.24 3.70 1.01 -1.26 -3.61 120.40 125.55 2kk8 s VAL 82 Ca 0.02 0.60 -0.22 0.00 0.00 0.00 0.00 61.98 62.38 2kk8 s VAL 82 Cb -0.18 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 2kk8 s VAL 82 CO 0.03 -0.47 0.78 -0.94 0.00 0.00 0.00 175.10 174.50 2kk8 s SER 83 N 5.46 7.16 0.00 3.32 1.04 -1.17 -5.06 113.70 124.45 2kk8 s SER 83 Ca 0.75 1.54 0.26 0.00 0.48 0.00 0.00 55.95 58.99 2kk8 s SER 83 Cb -0.21 -2.47 0.71 0.00 0.10 0.00 0.00 66.02 64.15 2kk8 s SER 83 CO 0.33 0.03 1.55 -1.20 0.98 0.00 0.00 173.24 174.93