#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 1.09 3.76 3.03 0.00 -1.26 -5.14 105.19 106.67 2kk8 n GLY 2 Ca 0.00 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.47 3.16 -0.25 1.61 4.02 -1.26 -5.01 115.29 117.08 2kk8 s HIS 3 Ca 0.00 1.34 0.02 0.00 1.02 0.00 0.00 55.06 57.44 2kk8 s HIS 3 Cb 0.00 -3.64 0.06 0.00 -1.02 0.00 0.00 32.58 27.99 2kk8 s HIS 3 CO 0.00 -1.83 -0.07 -1.01 1.02 0.00 0.00 174.74 172.85 2kk8 s HIS 4 N -0.67 2.87 -1.34 1.40 3.76 -1.26 -5.04 115.29 115.02 2kk8 s HIS 4 Ca 0.52 -2.10 -0.17 0.00 -0.15 0.00 0.00 55.06 53.16 2kk8 s HIS 4 Cb -0.38 -1.83 0.05 0.00 1.11 0.00 0.00 32.58 31.53 2kk8 s HIS 4 CO 0.47 -0.84 1.91 1.58 -0.85 0.00 0.00 174.74 177.01 2kk8 n HIS 5 N 4.54 4.17 0.08 1.40 -0.00 -1.26 -4.69 115.22 119.46 2kk8 n HIS 5 Ca -0.12 -2.81 -0.03 0.00 0.46 0.00 0.00 57.72 55.22 2kk8 n HIS 5 Cb 0.43 -2.59 -0.06 0.00 -0.12 0.00 0.00 29.99 27.64 2kk8 n HIS 5 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kk8 h HIS 6 N 7.15 0.00 -3.30 1.57 -0.00 -2.04 -3.43 115.15 115.10 2kk8 h HIS 6 Ca 0.48 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 60.18 2kk8 h HIS 6 Cb 0.79 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 27.91 2kk8 h HIS 6 CO 1.43 0.77 -0.81 -3.38 -0.00 0.00 0.00 177.93 175.94 2kk8 s HIS 7 N -2.82 2.75 0.21 5.26 0.00 -1.26 -5.09 115.29 114.34 2kk8 s HIS 7 Ca 0.01 -0.91 -0.30 0.00 -3.00 0.00 0.00 55.06 50.85 2kk8 s HIS 7 Cb 0.09 -1.84 -0.10 0.00 -4.00 0.00 0.00 32.58 26.73 2kk8 s HIS 7 CO 0.79 -0.38 1.44 -3.38 -1.00 0.00 0.00 174.74 172.22 2kk8 s HIS 8 N 0.57 3.08 -0.18 0.38 0.00 -1.26 -4.92 115.29 112.96 2kk8 s HIS 8 Ca -0.10 0.96 0.22 0.00 -3.00 0.00 0.00 55.06 53.14 2kk8 s HIS 8 Cb -0.16 -3.80 -0.09 0.00 -4.00 0.00 0.00 32.58 24.53 2kk8 s HIS 8 CO 0.04 -2.69 0.88 -1.13 -1.00 0.00 0.00 174.74 170.84 2kk8 n SER 9 N 2.84 0.67 -4.71 7.38 3.41 -1.26 -4.82 113.62 117.13 2kk8 n SER 9 Ca 0.08 0.27 -0.37 0.00 -0.26 0.00 0.00 58.87 58.59 2kk8 n SER 9 Cb 0.40 0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 65.00 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2kk8 s HIS 10 N -3.32 3.43 0.02 7.33 0.09 -1.26 -1.81 115.29 119.77 2kk8 s HIS 10 Ca -0.02 0.59 0.01 0.00 -0.00 0.00 0.00 55.06 55.63 2kk8 s HIS 10 Cb 0.10 -2.39 -0.01 0.00 -0.00 0.00 0.00 32.58 30.28 2kk8 s HIS 10 CO 0.82 0.16 -0.04 -1.64 -0.00 0.00 0.00 174.74 174.04 2kk8 s MET 11 N 0.73 0.32 -0.12 1.40 1.00 0.30 -4.99 119.30 117.94 2kk8 s MET 11 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 55.69 55.41 2kk8 s MET 11 Cb -0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 34.83 34.51 2kk8 s MET 11 CO 0.05 0.03 0.06 0.15 0.00 0.00 0.00 175.02 175.31 2kk8 s LYS 12 N -0.81 3.41 0.02 2.03 1.02 -1.26 -0.20 119.74 123.95 2kk8 s LYS 12 Ca -0.06 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 55.67 2kk8 s LYS 12 Cb -0.06 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2kk8 s LYS 12 CO -0.00 0.59 -0.17 -0.59 -0.92 0.00 0.00 175.35 174.27 2kk8 s PHE 13 N -0.54 1.46 -0.42 3.18 -0.71 -0.92 -5.00 117.98 115.03 2kk8 s PHE 13 Ca 0.10 -0.32 -0.25 0.00 -1.04 0.00 0.00 56.93 55.42 2kk8 s PHE 13 Cb -0.12 -0.90 0.02 0.00 -1.21 0.00 0.00 43.02 40.81 2kk8 s PHE 13 CO 0.02 0.03 0.88 -1.17 -1.34 0.00 0.00 175.22 173.64 2kk8 s LEU 14 N -0.84 4.05 -0.88 -1.99 2.96 -1.26 -2.55 118.68 118.16 2kk8 s LEU 14 Ca 0.05 0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.96 2kk8 s LEU 14 Cb -0.07 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.47 2kk8 s LEU 14 CO 0.01 -0.93 1.61 -0.69 -1.32 0.00 0.00 176.35 175.03 2kk8 s VAL 15 N 3.51 3.68 -0.95 1.68 1.01 0.28 -4.67 120.40 124.95 2kk8 s VAL 15 Ca 0.35 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 2kk8 s VAL 15 Cb -0.11 -4.60 0.07 0.00 0.00 0.00 0.00 36.38 31.74 2kk8 s VAL 15 CO 0.22 -1.52 1.33 -0.70 0.00 0.00 0.00 175.10 174.43 2kk8 s GLU 16 N 5.95 3.52 -0.10 2.72 2.56 -1.11 -1.89 118.70 130.35 2kk8 s GLU 16 Ca 0.53 -1.15 -0.25 0.00 0.00 0.00 0.00 54.97 54.11 2kk8 s GLU 16 Cb -0.05 -5.05 -0.03 0.00 2.00 0.00 0.00 34.13 31.00 2kk8 s GLU 16 CO 0.01 -2.08 0.79 1.21 -0.56 0.00 0.00 175.26 174.63 2kk8 s ASN 17 N 4.45 7.03 0.34 -1.70 2.47 -1.26 -1.40 114.94 124.86 2kk8 s ASN 17 Ca 0.40 1.25 0.03 0.00 0.42 0.00 0.00 52.86 54.96 2kk8 s ASN 17 Cb -0.03 -2.45 0.59 0.00 -1.45 0.00 0.00 41.25 37.91 2kk8 s ASN 17 CO -0.06 -0.24 1.92 0.25 -3.72 0.00 0.00 177.10 175.24 2kk8 h LEU 18 N 7.37 0.61 -6.73 3.21 5.85 -1.81 -3.29 115.31 120.52 2kk8 h LEU 18 Ca -0.37 -0.08 -0.61 0.00 0.84 0.00 0.00 57.88 57.67 2kk8 h LEU 18 Cb 1.18 -0.16 -0.40 0.00 0.37 0.00 0.00 40.66 41.64 2kk8 h LEU 18 CO 0.78 0.57 -0.74 0.59 -0.34 0.00 0.00 178.44 179.31 2kk8 n ASN 19 N -4.34 1.67 0.00 1.25 4.13 -1.26 -5.06 115.26 111.65 2kk8 n ASN 19 Ca 0.03 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.40 2kk8 n ASN 19 Cb 0.17 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kk8 n GLY 20 N 2.20 -2.28 3.76 7.41 0.00 -1.24 -5.04 105.19 110.01 2kk8 n GLY 20 Ca 0.24 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 2kk8 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kk8 s SER 21 N -1.52 7.30 -0.02 1.61 1.04 -1.26 -4.67 113.70 116.18 2kk8 s SER 21 Ca 0.00 1.55 -0.30 0.00 0.48 0.00 0.00 55.95 57.68 2kk8 s SER 21 Cb 0.00 -2.48 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 2kk8 s SER 21 CO 0.00 0.10 1.72 -0.44 0.98 0.00 0.00 173.24 175.60 2kk8 s SER 22 N -0.56 6.62 -0.17 7.02 0.01 -1.26 -4.56 113.70 120.80 2kk8 s SER 22 Ca 0.37 2.35 -0.05 0.00 1.31 0.00 0.00 55.95 59.93 2kk8 s SER 22 Cb -0.22 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2kk8 s SER 22 CO 0.25 -0.95 -0.01 0.12 0.41 0.00 0.00 173.24 173.06 2kk8 s PHE 23 N 3.98 3.07 -0.58 2.43 5.36 -0.79 -4.91 117.98 126.53 2kk8 s PHE 23 Ca 0.76 -0.27 -0.28 0.00 -0.96 0.00 0.00 56.93 56.19 2kk8 s PHE 23 Cb -0.36 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2kk8 s PHE 23 CO 0.32 -0.05 1.18 -1.21 -1.46 0.00 0.00 175.22 174.01 2kk8 s GLU 24 N 0.50 3.49 -0.25 10.12 2.02 -1.26 -0.55 118.70 132.77 2kk8 s GLU 24 Ca -0.02 0.21 -0.06 0.00 0.02 0.00 0.00 54.97 55.12 2kk8 s GLU 24 Cb -0.14 -4.02 -0.01 0.00 0.10 0.00 0.00 34.13 30.06 2kk8 s GLU 24 CO 0.02 -1.69 0.03 -1.17 0.02 0.00 0.00 175.26 172.48 2kk8 s LEU 25 N 4.92 3.33 -0.27 1.80 0.20 -1.06 -4.99 118.68 122.63 2kk8 s LEU 25 Ca 0.42 -0.41 -0.21 0.00 0.69 0.00 0.00 54.13 54.62 2kk8 s LEU 25 Cb -0.08 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 2kk8 s LEU 25 CO 0.25 -0.07 0.65 -0.70 -0.29 0.00 0.00 176.35 176.18 2kk8 s GLU 26 N 1.53 4.06 0.06 1.98 2.12 -1.26 -2.17 118.70 125.02 2kk8 s GLU 26 Ca 0.05 0.52 0.09 0.00 0.36 0.00 0.00 54.97 55.99 2kk8 s GLU 26 Cb -0.15 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2kk8 s GLU 26 CO 0.01 -0.46 -0.23 0.14 -0.54 0.00 0.00 175.26 174.18 2kk8 s VAL 27 N 2.56 2.45 0.19 3.70 -7.23 0.72 -4.94 120.40 117.85 2kk8 s VAL 27 Ca 0.27 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2kk8 s VAL 27 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2kk8 s VAL 27 CO 0.09 0.30 0.36 -0.62 -0.31 0.00 0.00 175.10 174.92 2kk8 s ASP 28 N -1.49 6.37 0.61 4.85 -1.08 -1.26 -0.54 116.67 124.13 2kk8 s ASP 28 Ca 0.14 0.33 0.31 0.00 -0.52 0.00 0.00 52.55 52.80 2kk8 s ASP 28 Cb -0.10 -1.98 1.72 0.00 -1.46 0.00 0.00 42.92 41.11 2kk8 s ASP 28 CO 0.04 -0.02 2.08 1.88 0.52 0.00 0.00 175.17 179.68 2kk8 h TYR 29 N 2.03 0.00 0.00 -5.34 -1.99 -1.74 0.16 116.97 110.10 2kk8 h TYR 29 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2kk8 h TYR 29 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 2kk8 h TYR 29 CO 0.55 0.00 -0.08 2.89 -0.00 0.00 0.00 178.16 181.51 2kk8 n ARG 30 N -3.55 0.01 -1.72 4.88 1.85 -1.26 -1.84 116.66 115.03 2kk8 n ARG 30 Ca 0.01 0.01 -0.31 0.00 -1.00 0.00 0.00 57.85 56.56 2kk8 n ARG 30 Cb 0.34 -1.51 0.05 0.00 -1.05 0.00 0.00 32.46 30.29 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 -3.06 5.46 0.12 2.89 -1.08 0.04 -4.85 116.67 116.20 2kk8 s ASP 31 Ca 0.13 1.40 0.05 0.00 -0.52 0.00 0.00 52.55 53.61 2kk8 s ASP 31 Cb 0.19 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 39.33 2kk8 s ASP 31 CO 0.56 -1.36 -0.13 0.28 0.52 0.00 0.00 175.17 175.04 2kk8 s THR 32 N -3.17 1.24 0.57 1.71 -1.32 -1.26 -0.83 115.64 112.57 2kk8 s THR 32 Ca 0.58 -1.77 0.27 0.00 -1.21 0.00 0.00 61.69 59.55 2kk8 s THR 32 Cb -0.13 -1.56 0.34 0.00 -1.51 0.00 0.00 72.50 69.64 2kk8 s THR 32 CO 0.54 -0.51 2.18 -0.07 -2.21 0.00 0.00 174.62 174.55 2kk8 h LEU 33 N 3.37 0.00 -0.08 9.08 3.38 -1.38 -0.04 115.31 129.64 2kk8 h LEU 33 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2kk8 h LEU 33 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2kk8 h LEU 33 CO 0.54 0.00 0.03 0.25 0.09 0.00 0.00 178.44 179.35 2kk8 h LEU 34 N 0.00 0.12 0.11 1.67 5.85 -1.55 -2.72 115.31 118.80 2kk8 h LEU 34 Ca 0.04 -0.18 -0.27 0.00 0.84 0.00 0.00 57.88 58.31 2kk8 h LEU 34 Cb 0.20 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.23 2kk8 h LEU 34 CO -0.00 0.27 -1.13 0.58 -0.34 0.00 0.00 178.44 177.82 2kk8 h VAL 35 N -0.04 1.32 -0.15 1.05 2.07 -1.37 -3.16 116.25 115.97 2kk8 h VAL 35 Ca 0.03 -2.42 -0.02 0.00 0.82 0.00 0.00 66.70 65.11 2kk8 h VAL 35 Cb 0.19 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2kk8 h VAL 35 CO -0.00 0.73 0.02 1.62 0.02 0.00 0.00 177.57 179.95 2kk8 h VAL 36 N 0.17 1.09 0.00 2.57 3.04 -1.19 -0.88 116.25 121.05 2kk8 h VAL 36 Ca -0.17 -0.33 -0.06 0.00 -1.01 0.00 0.00 66.70 65.13 2kk8 h VAL 36 Cb 1.82 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 2kk8 h VAL 36 CO 0.22 0.11 -0.27 0.11 -1.01 0.00 0.00 177.57 176.73 2kk8 h LYS 37 N 0.21 0.00 -0.06 4.17 1.57 -1.45 -1.73 116.57 119.29 2kk8 h LYS 37 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 2kk8 h LYS 37 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kk8 h LYS 37 CO -0.00 0.27 -0.49 1.96 -0.57 0.00 0.00 179.45 180.61 2kk8 h GLN 38 N 0.00 0.14 -0.29 3.15 1.08 -1.13 -1.20 115.11 116.86 2kk8 h GLN 38 Ca -0.00 -0.08 -0.17 0.00 -1.45 0.00 0.00 58.65 56.95 2kk8 h GLN 38 Cb 0.55 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2kk8 h GLN 38 CO 0.03 0.60 -0.51 0.87 -0.95 0.00 0.00 178.83 178.88 2kk8 h LYS 39 N 0.11 0.82 -0.06 1.46 1.57 -1.09 -3.28 116.57 116.11 2kk8 h LYS 39 Ca 0.00 -0.50 -0.20 0.00 -1.87 0.00 0.00 60.65 58.09 2kk8 h LYS 39 Cb 0.91 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2kk8 h LYS 39 CO 0.07 1.13 -0.80 0.82 -0.57 0.00 0.00 179.45 180.10 2kk8 h ILE 40 N 0.64 1.38 -0.56 1.86 2.04 -1.11 -3.14 117.51 118.62 2kk8 h ILE 40 Ca 0.02 -2.24 0.05 0.00 1.00 0.00 0.00 64.86 63.70 2kk8 h ILE 40 Cb 1.10 2.20 -0.05 0.00 -0.74 0.00 0.00 36.82 39.34 2kk8 h ILE 40 CO 0.11 0.67 0.29 -0.08 0.00 0.00 0.00 178.15 179.15 2kk8 h GLU 41 N 0.27 0.54 0.00 2.37 4.81 -1.28 0.22 114.58 121.52 2kk8 h GLU 41 Ca -0.05 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 2kk8 h GLU 41 Cb 1.40 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2kk8 h GLU 41 CO 0.14 0.36 -0.36 -0.09 -0.73 0.00 0.00 179.01 178.32 2kk8 h ARG 42 N 0.56 0.00 0.09 1.92 2.43 -1.67 0.22 114.38 117.93 2kk8 h ARG 42 Ca 0.25 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.20 2kk8 h ARG 42 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2kk8 h ARG 42 CO -0.17 0.28 -1.13 0.66 -1.51 0.00 0.00 179.97 178.10 2kk8 h SER 43 N 0.00 0.31 0.82 -3.80 4.64 -1.37 -3.34 113.55 110.81 2kk8 h SER 43 Ca -0.01 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2kk8 h SER 43 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2kk8 h SER 43 CO 0.04 1.49 -0.48 0.00 -0.87 0.00 0.00 176.83 177.01 2kk8 n GLN 44 N -4.09 0.18 -1.71 4.77 1.13 0.74 -4.93 117.38 113.46 2kk8 n GLN 44 Ca -0.22 0.06 -0.12 0.00 -1.94 0.00 0.00 57.00 54.78 2kk8 n GLN 44 Cb 0.81 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 29.51 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 -1.89 -0.24 -4.20 1.08 8.25 0.71 -5.00 115.22 113.93 2kk8 n HIS 45 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.17 2kk8 n HIS 45 Cb 0.40 -2.48 -0.15 0.00 1.12 0.00 0.00 29.99 28.88 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 -2.53 2.54 0.92 1.59 -4.36 -0.88 -4.99 121.20 113.50 2kk8 s ILE 46 Ca 0.00 -0.79 -0.12 0.00 -0.26 0.00 0.00 60.65 59.48 2kk8 s ILE 46 Cb 0.00 -2.09 0.07 0.00 1.25 0.00 0.00 42.46 41.69 2kk8 s ILE 46 CO 0.00 0.50 0.70 -2.65 0.24 0.00 0.00 174.94 173.73 2kk8 n PRO 47 N 4.49 -0.29 -0.26 0.37 -0.02 -1.26 -4.14 135.00 133.88 2kk8 n PRO 47 Ca -0.20 -0.03 -0.04 0.00 -2.02 0.00 0.00 63.50 61.21 2kk8 n PRO 47 Cb 0.51 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.58 0.10 0.00 -1.45 2.07 -1.95 0.26 116.25 113.70 2kk8 h VAL 48 Ca -0.44 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2kk8 h VAL 48 Cb 1.28 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2kk8 h VAL 48 CO 0.37 0.00 -0.05 0.28 0.02 0.00 0.00 177.57 178.20 2kk8 h SER 49 N -0.12 0.00 0.08 0.57 0.02 -1.96 -1.27 113.55 110.88 2kk8 h SER 49 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2kk8 h SER 49 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2kk8 h SER 49 CO -0.78 0.05 -0.07 0.29 -1.14 0.00 0.00 176.83 175.17 2kk8 n LYS 50 N -3.19 1.32 -3.20 3.45 5.02 0.01 -4.62 118.16 116.97 2kk8 n LYS 50 Ca -0.00 -0.71 -0.46 0.00 -2.02 0.00 0.00 58.31 55.13 2kk8 n LYS 50 Cb 0.30 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.17 3.76 -0.54 1.97 -0.21 -0.48 -1.80 119.66 120.19 2kk8 s GLN 51 Ca 0.35 -2.45 -0.28 0.00 0.02 0.00 0.00 55.36 53.00 2kk8 s GLN 51 Cb 0.21 -4.63 0.03 0.00 1.00 0.00 0.00 33.01 29.62 2kk8 s GLN 51 CO 0.40 -1.44 1.16 0.99 -2.12 0.00 0.00 175.29 174.27 2kk8 s THR 52 N 0.64 4.11 -0.54 -0.19 2.01 -1.07 -4.98 115.64 115.62 2kk8 s THR 52 Ca 0.26 0.99 -0.28 0.00 0.31 0.00 0.00 61.69 62.97 2kk8 s THR 52 Cb -0.08 -4.67 0.03 0.00 0.01 0.00 0.00 72.50 67.79 2kk8 s THR 52 CO -0.08 -1.20 1.21 -0.76 -0.69 0.00 0.00 174.62 173.10 2kk8 s LEU 53 N 4.70 3.50 -0.60 4.42 1.43 -1.26 -1.96 118.68 128.92 2kk8 s LEU 53 Ca 0.44 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 2kk8 s LEU 53 Cb -0.08 -3.29 0.14 0.00 0.03 0.00 0.00 46.19 43.00 2kk8 s LEU 53 CO 0.28 -1.43 0.57 -0.63 0.23 0.00 0.00 176.35 175.36 2kk8 s ILE 54 N 4.93 5.25 -0.31 -0.59 1.01 -0.17 -0.29 121.20 131.03 2kk8 s ILE 54 Ca 0.46 -1.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.39 2kk8 s ILE 54 Cb -0.08 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 38.02 2kk8 s ILE 54 CO 0.28 -0.92 0.12 -0.69 0.00 0.00 0.00 174.94 173.73 2kk8 s VAL 55 N 1.43 4.26 0.00 2.92 1.01 -0.50 -1.04 120.40 128.48 2kk8 s VAL 55 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2kk8 s VAL 55 Cb -0.26 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2kk8 s VAL 55 CO 0.01 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.47 2kk8 n ASP 56 N 4.92 0.00 -0.26 3.32 2.03 0.37 -1.77 116.55 125.16 2kk8 n ASP 56 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2kk8 n ASP 56 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.82 3.00 0.27 0.00 -1.26 -4.38 105.19 103.64 2kk8 n GLY 57 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.60 -0.19 -0.61 -1.09 -0.73 -5.11 121.20 114.07 2kk8 s ILE 58 Ca 0.00 -0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 57.80 2kk8 s ILE 58 Cb 0.00 -0.51 -0.01 0.00 -1.58 0.00 0.00 42.46 40.36 2kk8 s ILE 58 CO 0.00 0.17 1.27 0.54 -1.23 0.00 0.00 174.94 175.69 2kk8 s VAL 59 N -0.16 4.26 -0.32 2.92 0.11 -1.26 -1.41 120.40 124.54 2kk8 s VAL 59 Ca 0.03 1.50 -0.12 0.00 -2.93 0.00 0.00 61.98 60.46 2kk8 s VAL 59 Cb -0.03 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 2kk8 s VAL 59 CO -0.00 -0.20 0.21 -0.63 -3.33 0.00 0.00 175.10 171.15 2kk8 s ILE 60 N 3.69 5.20 -1.32 7.04 -1.09 0.60 -4.90 121.20 130.42 2kk8 s ILE 60 Ca 0.55 -0.13 0.12 0.00 -2.23 0.00 0.00 60.65 58.97 2kk8 s ILE 60 Cb -0.21 -3.61 0.23 0.00 -1.58 0.00 0.00 42.46 37.29 2kk8 s ILE 60 CO 0.16 0.08 1.10 0.18 -1.23 0.00 0.00 174.94 175.23 2kk8 n LEU 61 N 5.08 2.56 -4.54 2.97 4.77 -1.26 -4.31 117.00 122.27 2kk8 n LEU 61 Ca -0.13 -1.50 -0.42 0.00 -0.03 0.00 0.00 56.01 53.92 2kk8 n LEU 61 Cb 0.50 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2kk8 n LEU 61 CO 0.35 0.58 1.99 0.54 -1.33 0.00 0.00 177.39 179.52 2kk8 n ARG 62 N 0.69 3.11 0.20 3.23 5.12 -1.26 -4.71 116.66 123.04 2kk8 n ARG 62 Ca 0.10 -3.21 0.15 0.00 -1.93 0.00 0.00 57.85 52.95 2kk8 n ARG 62 Cb 0.39 -3.50 0.56 0.00 -1.16 0.00 0.00 32.46 28.75 2kk8 n ARG 62 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2kk8 h GLU 63 N 7.59 0.00 -0.00 5.56 5.08 -1.89 -3.03 114.58 127.88 2kk8 h GLU 63 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2kk8 h GLU 63 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2kk8 h GLU 63 CO 1.47 0.00 -0.07 -0.40 -1.00 0.00 0.00 179.01 179.01 2kk8 n ASP 64 N -2.70 0.53 -4.88 1.42 5.75 -1.26 -1.61 116.55 113.81 2kk8 n ASP 64 Ca 0.02 -0.77 -0.36 0.00 -0.01 0.00 0.00 54.79 53.67 2kk8 n ASP 64 Cb 0.30 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 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 -2.33 4.40 0.61 -2.12 1.43 -1.15 -4.97 118.68 114.55 2kk8 s LEU 65 Ca 0.33 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 2kk8 s LEU 65 Cb 0.20 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 44.09 2kk8 s LEU 65 CO 0.44 0.33 0.85 0.42 0.23 0.00 0.00 176.35 178.62 2kk8 s THR 66 N -1.15 2.48 0.25 5.49 -4.23 -1.26 -1.49 115.64 115.73 2kk8 s THR 66 Ca 0.21 -0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 60.03 2kk8 s THR 66 Cb -0.13 -2.85 0.25 0.00 1.34 0.00 0.00 72.50 71.11 2kk8 s THR 66 CO 0.11 0.00 1.92 0.58 -0.54 0.00 0.00 174.62 176.69 2kk8 h VAL 67 N -0.13 1.25 0.00 2.29 2.07 -0.99 0.11 116.25 120.85 2kk8 h VAL 67 Ca -0.40 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2kk8 h VAL 67 Cb 1.29 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2kk8 h VAL 67 CO 0.49 0.24 -0.07 -0.08 0.02 0.00 0.00 177.57 178.17 2kk8 h GLU 68 N 1.33 0.00 0.07 1.57 4.81 -1.61 -1.69 114.58 119.06 2kk8 h GLU 68 Ca 0.36 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.25 2kk8 h GLU 68 Cb -0.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2kk8 h GLU 68 CO -0.08 0.07 -1.93 1.04 -0.73 0.00 0.00 179.01 177.38 2kk8 n GLN 69 N -3.15 0.69 0.14 1.92 1.13 -0.85 -4.31 117.38 112.94 2kk8 n GLN 69 Ca 0.02 0.32 0.13 0.00 -1.94 0.00 0.00 57.00 55.52 2kk8 n GLN 69 Cb 0.43 -1.68 0.28 0.00 0.11 0.00 0.00 30.24 29.38 2kk8 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kk8 n GLN 71 N -2.54 -1.83 -2.72 0.00 1.13 -0.65 -4.93 117.38 105.84 2kk8 n GLN 71 Ca 0.05 1.74 -0.42 0.00 -1.94 0.00 0.00 57.00 56.43 2kk8 n GLN 71 Cb 0.47 -4.65 -0.03 0.00 0.11 0.00 0.00 30.24 26.13 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 -2.19 4.08 -0.01 5.09 -1.09 -1.12 -5.01 121.20 120.95 2kk8 s ILE 72 Ca 0.18 0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.67 2kk8 s ILE 72 Cb -0.05 -4.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.03 2kk8 s ILE 72 CO 0.58 -1.56 0.13 0.68 -1.23 0.00 0.00 174.94 173.54 2kk8 s VAL 73 N 4.75 5.08 -1.76 2.92 -7.23 -1.26 -4.99 120.40 117.90 2kk8 s VAL 73 Ca 0.29 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2kk8 s VAL 73 Cb -0.12 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.47 2kk8 s VAL 73 CO 0.14 0.35 0.68 -0.81 -0.31 0.00 0.00 175.10 175.14 2kk8 n PRO 74 N 1.10 0.77 0.00 4.82 -0.04 -1.26 -2.64 135.00 137.75 2kk8 n PRO 74 Ca -0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2kk8 n PRO 74 Cb 0.53 -1.09 0.08 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.36 0.00 -3.57 0.52 -2.24 -1.26 -4.91 114.28 102.46 2kk8 n THR 75 Ca 0.00 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 2kk8 n THR 75 Cb 0.05 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kk8 s SER 76 N -2.93 6.67 -0.29 3.42 1.04 -1.08 -5.02 113.70 115.51 2kk8 s SER 76 Ca 0.11 0.81 -0.21 0.00 0.48 0.00 0.00 55.95 57.15 2kk8 s SER 76 Cb 0.17 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 2kk8 s SER 76 CO 0.75 0.21 0.66 -0.62 0.98 0.00 0.00 173.24 175.22 2kk8 s ASP 77 N -1.62 6.56 -0.30 7.02 2.15 -1.26 -4.74 116.67 124.49 2kk8 s ASP 77 Ca 0.31 0.58 -0.11 0.00 0.43 0.00 0.00 52.55 53.76 2kk8 s ASP 77 Cb -0.14 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2kk8 s ASP 77 CO 0.17 -0.46 0.19 -0.63 -0.17 0.00 0.00 175.17 174.26 2kk8 s ILE 78 N 2.63 5.10 0.13 4.11 1.09 -1.26 -0.48 121.20 132.52 2kk8 s ILE 78 Ca 0.27 -0.08 0.04 0.00 -1.10 0.00 0.00 60.65 59.78 2kk8 s ILE 78 Cb -0.15 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2kk8 s ILE 78 CO 0.11 0.15 -0.10 -1.10 -0.10 0.00 0.00 174.94 173.89 2kk8 s GLN 79 N 1.71 0.99 -0.15 2.79 -0.21 -0.21 -2.77 119.66 121.82 2kk8 s GLN 79 Ca 0.06 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 54.08 2kk8 s GLN 79 Cb -0.17 -0.57 -0.00 0.00 1.00 0.00 0.00 33.01 33.28 2kk8 s GLN 79 CO 0.09 0.07 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.66 2kk8 s LEU 80 N -2.98 2.42 -0.23 2.90 1.43 -0.49 -1.00 118.68 120.72 2kk8 s LEU 80 Ca 0.14 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 2kk8 s LEU 80 Cb 0.02 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2kk8 s LEU 80 CO -0.00 0.09 0.34 -0.70 0.23 0.00 0.00 176.35 176.31 2kk8 s GLU 81 N 0.78 4.11 -0.42 1.70 2.12 -0.83 -2.11 118.70 124.05 2kk8 s GLU 81 Ca -0.06 0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.03 2kk8 s GLU 81 Cb -0.15 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 2kk8 s GLU 81 CO 0.00 -0.08 1.64 0.54 -0.54 0.00 0.00 175.26 176.83 2kk8 s VAL 82 N 1.46 3.63 0.53 3.70 0.11 -1.26 -2.61 120.40 125.95 2kk8 s VAL 82 Ca 0.15 0.60 0.03 0.00 -2.93 0.00 0.00 61.98 59.83 2kk8 s VAL 82 Cb -0.15 -3.94 0.03 0.00 -1.53 0.00 0.00 36.38 30.80 2kk8 s VAL 82 CO 0.08 -0.66 0.74 -0.55 -3.33 0.00 0.00 175.10 171.38 2kk8 s SER 83 N 5.50 5.31 0.00 3.54 0.15 -0.75 -5.02 113.70 122.42 2kk8 s SER 83 Ca 0.69 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 57.29 2kk8 s SER 83 Cb -0.17 -0.76 0.06 0.00 -1.71 0.00 0.00 66.02 63.45 2kk8 s SER 83 CO 0.31 -1.10 0.75 -1.20 1.20 0.00 0.00 173.24 173.20