#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 3.48 0.28 -5.12 0.00 -1.26 -4.99 105.19 97.57 2kk8 n GLY 2 Ca 0.00 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.06 2kk8 n GLY 2 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2kk8 h HIS 3 N 0.00 0.00 -2.26 1.61 -0.00 -2.13 -3.36 115.15 109.01 2kk8 h HIS 3 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 60.37 59.72 2kk8 h HIS 3 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 27.26 2kk8 h HIS 3 CO 0.00 0.03 0.87 -1.58 -0.00 0.00 0.00 177.93 177.25 2kk8 s HIS 4 N -3.72 2.86 0.00 6.12 2.46 -1.26 -4.60 115.29 117.15 2kk8 s HIS 4 Ca 0.00 -1.01 0.00 0.00 0.47 0.00 0.00 55.06 54.52 2kk8 s HIS 4 Cb 0.10 -4.37 0.00 0.00 -0.13 0.00 0.00 32.58 28.18 2kk8 s HIS 4 CO 0.55 -1.63 0.05 1.58 -2.47 0.00 0.00 174.74 172.81 2kk8 n HIS 5 N 7.37 0.00 -3.88 3.88 -0.00 -1.26 -4.94 115.22 116.40 2kk8 n HIS 5 Ca 0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.53 2kk8 n HIS 5 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.40 2kk8 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk8 s HIS 6 N -0.16 3.50 0.05 1.57 5.65 -1.26 -5.08 115.29 119.56 2kk8 s HIS 6 Ca 0.00 0.43 -0.25 0.00 0.25 0.00 0.00 55.06 55.49 2kk8 s HIS 6 Cb 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 32.58 29.35 2kk8 s HIS 6 CO 0.00 0.57 0.77 -1.01 -0.65 0.00 0.00 174.74 174.42 2kk8 s HIS 7 N -0.57 3.74 -0.05 3.88 4.02 -1.26 -4.93 115.29 120.12 2kk8 s HIS 7 Ca 0.12 1.48 0.08 0.00 1.02 0.00 0.00 55.06 57.76 2kk8 s HIS 7 Cb -0.12 -2.82 0.11 0.00 -1.02 0.00 0.00 32.58 28.73 2kk8 s HIS 7 CO 0.02 0.28 0.99 -2.39 1.02 0.00 0.00 174.74 174.66 2kk8 n HIS 8 N 2.79 0.00 0.40 1.40 -0.00 -1.26 -4.78 115.22 113.76 2kk8 n HIS 8 Ca -0.02 -0.51 0.05 0.00 -0.00 0.00 0.00 57.72 57.24 2kk8 n HIS 8 Cb 0.50 -0.08 0.20 0.00 -0.00 0.00 0.00 29.99 30.61 2kk8 n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kk8 n SER 9 N -0.68 2.76 -4.63 4.39 7.64 -1.26 -4.89 113.62 116.94 2kk8 n SER 9 Ca 0.06 -2.21 -0.43 0.00 1.01 0.00 0.00 58.87 57.31 2kk8 n SER 9 Cb 0.55 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2kk8 s HIS 10 N -1.67 1.60 -0.32 1.43 0.00 -1.26 -3.79 115.29 111.28 2kk8 s HIS 10 Ca 0.28 0.23 -0.11 0.00 -3.00 0.00 0.00 55.06 52.46 2kk8 s HIS 10 Cb 0.18 -4.04 -0.02 0.00 -4.00 0.00 0.00 32.58 24.70 2kk8 s HIS 10 CO 0.14 -4.07 0.20 -1.64 -1.00 0.00 0.00 174.74 168.38 2kk8 s MET 11 N 5.05 3.47 -0.47 -0.38 1.00 0.90 -4.90 119.30 123.97 2kk8 s MET 11 Ca 0.84 -0.64 -0.15 0.00 0.00 0.00 0.00 55.69 55.74 2kk8 s MET 11 Cb -0.33 -3.69 0.07 0.00 0.00 0.00 0.00 34.83 30.89 2kk8 s MET 11 CO 0.34 -0.41 0.38 0.15 0.00 0.00 0.00 175.02 175.49 2kk8 s LYS 12 N 1.68 2.94 -0.17 2.03 1.02 -1.26 -0.29 119.74 125.69 2kk8 s LYS 12 Ca 0.06 -1.37 -0.09 0.00 0.02 0.00 0.00 55.97 54.59 2kk8 s LYS 12 Cb -0.17 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.00 2kk8 s LYS 12 CO 0.09 -1.02 0.12 -0.59 -0.92 0.00 0.00 175.35 173.03 2kk8 s PHE 13 N 1.62 3.45 -0.37 3.18 -0.71 -0.33 -4.47 117.98 120.35 2kk8 s PHE 13 Ca 0.04 0.36 -0.29 0.00 -1.04 0.00 0.00 56.93 56.00 2kk8 s PHE 13 Cb -0.24 -2.08 0.02 0.00 -1.21 0.00 0.00 43.02 39.50 2kk8 s PHE 13 CO 0.06 0.41 1.17 -1.17 -1.34 0.00 0.00 175.22 174.36 2kk8 s LEU 14 N -0.07 3.81 -0.21 -1.99 2.96 -1.26 -1.35 118.68 120.57 2kk8 s LEU 14 Ca 0.10 0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 54.78 2kk8 s LEU 14 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2kk8 s LEU 14 CO 0.00 -1.08 0.29 -0.69 -1.32 0.00 0.00 176.35 173.55 2kk8 s VAL 15 N 4.19 5.28 -0.38 1.68 1.01 0.97 -4.40 120.40 128.75 2kk8 s VAL 15 Ca 0.50 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 2kk8 s VAL 15 Cb -0.12 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.71 2kk8 s VAL 15 CO 0.23 0.31 0.17 -0.70 0.00 0.00 0.00 175.10 175.11 2kk8 s GLU 16 N 1.03 2.44 -0.28 2.72 2.12 -1.13 -0.62 118.70 124.98 2kk8 s GLU 16 Ca 0.14 -1.45 -0.15 0.00 0.36 0.00 0.00 54.97 53.88 2kk8 s GLU 16 Cb -0.14 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2kk8 s GLU 16 CO 0.06 -0.86 0.38 1.21 -0.54 0.00 0.00 175.26 175.51 2kk8 s ASN 17 N 1.74 6.25 0.44 -1.70 2.47 -1.23 -1.59 114.94 121.32 2kk8 s ASN 17 Ca 0.02 0.22 0.15 0.00 0.42 0.00 0.00 52.86 53.67 2kk8 s ASN 17 Cb -0.22 -2.21 0.99 0.00 -1.45 0.00 0.00 41.25 38.36 2kk8 s ASN 17 CO 0.00 -0.22 1.97 0.25 -3.72 0.00 0.00 177.10 175.39 2kk8 h LEU 18 N 8.65 0.00 -0.29 3.21 5.85 -1.92 -1.51 115.31 129.31 2kk8 h LEU 18 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2kk8 h LEU 18 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2kk8 h LEU 18 CO 0.66 0.21 -0.68 -3.20 -0.34 0.00 0.00 178.44 175.08 2kk8 n ASN 19 N -4.26 1.13 0.00 1.25 2.85 -1.26 -4.95 115.26 110.02 2kk8 n ASN 19 Ca -0.02 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 2kk8 n ASN 19 Cb 0.27 0.61 0.00 0.00 1.24 0.00 0.00 39.78 41.90 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 1.46 3.06 3.20 8.20 0.00 -0.57 -5.13 105.19 115.41 2kk8 n GLY 20 Ca 0.07 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2kk8 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kk8 s SER 21 N 1.00 1.67 -0.16 1.61 0.01 -1.24 -4.81 113.70 111.77 2kk8 s SER 21 Ca 0.00 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.15 2kk8 s SER 21 Cb 0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2kk8 s SER 21 CO 0.00 -0.22 1.12 -0.55 0.41 0.00 0.00 173.24 174.00 2kk8 s SER 22 N -2.47 7.08 0.00 2.44 0.15 -1.26 -3.55 113.70 116.10 2kk8 s SER 22 Ca 0.07 1.56 0.01 0.00 0.70 0.00 0.00 55.95 58.29 2kk8 s SER 22 Cb -0.03 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2kk8 s SER 22 CO 0.01 -0.64 -0.05 0.12 1.20 0.00 0.00 173.24 173.89 2kk8 s PHE 23 N 2.88 0.44 -0.61 3.44 5.36 0.21 -4.95 117.98 124.75 2kk8 s PHE 23 Ca 0.49 -0.12 -0.23 0.00 -0.96 0.00 0.00 56.93 56.12 2kk8 s PHE 23 Cb -0.19 -0.28 0.06 0.00 -0.34 0.00 0.00 43.02 42.28 2kk8 s PHE 23 CO 0.13 -0.02 0.92 -1.21 -1.46 0.00 0.00 175.22 173.58 2kk8 s GLU 24 N -0.26 3.17 -0.22 10.12 2.02 -1.26 -0.02 118.70 132.25 2kk8 s GLU 24 Ca 0.00 -0.69 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 2kk8 s GLU 24 Cb -0.03 -4.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.02 2kk8 s GLU 24 CO -0.00 -1.66 0.68 -1.17 0.02 0.00 0.00 175.26 173.12 2kk8 s LEU 25 N 3.86 4.11 -0.41 1.80 0.20 -0.46 -4.85 118.68 122.93 2kk8 s LEU 25 Ca 0.23 0.84 -0.16 0.00 0.69 0.00 0.00 54.13 55.74 2kk8 s LEU 25 Cb -0.16 -2.95 0.02 0.00 -0.43 0.00 0.00 46.19 42.67 2kk8 s LEU 25 CO 0.13 -0.36 0.35 -0.70 -0.29 0.00 0.00 176.35 175.48 2kk8 s GLU 26 N 2.29 3.01 0.01 1.98 2.12 -1.26 -1.19 118.70 125.67 2kk8 s GLU 26 Ca 0.29 -0.93 0.07 0.00 0.36 0.00 0.00 54.97 54.76 2kk8 s GLU 26 Cb -0.16 -3.98 -0.02 0.00 0.26 0.00 0.00 34.13 30.24 2kk8 s GLU 26 CO 0.09 -0.79 -0.20 0.08 -0.54 0.00 0.00 175.26 173.90 2kk8 s VAL 27 N 1.84 1.61 0.45 3.70 1.01 0.60 -4.89 120.40 124.72 2kk8 s VAL 27 Ca 0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 2kk8 s VAL 27 Cb -0.18 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 2kk8 s VAL 27 CO 0.11 0.34 0.80 -0.62 0.00 0.00 0.00 175.10 175.74 2kk8 s ASP 28 N -0.77 6.44 0.53 3.32 2.15 -1.26 -0.07 116.67 127.00 2kk8 s ASP 28 Ca 0.08 1.13 0.24 0.00 0.43 0.00 0.00 52.55 54.42 2kk8 s ASP 28 Cb -0.08 -2.32 1.39 0.00 -0.30 0.00 0.00 42.92 41.60 2kk8 s ASP 28 CO 0.00 -0.49 2.03 1.88 -0.17 0.00 0.00 175.17 178.42 2kk8 h TYR 29 N 0.87 0.00 0.00 -5.34 -1.99 -1.95 -1.47 116.97 107.09 2kk8 h TYR 29 Ca -0.47 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.22 2kk8 h TYR 29 Cb 1.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 2kk8 h TYR 29 CO 0.61 0.00 -0.20 -0.09 -0.00 0.00 0.00 178.16 178.47 2kk8 h ARG 30 N 0.00 0.00 -7.49 4.88 2.43 -1.93 -2.53 114.38 109.74 2kk8 h ARG 30 Ca 0.20 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.89 2kk8 h ARG 30 Cb 0.81 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.47 2kk8 h ARG 30 CO -0.00 0.20 0.36 -0.51 -1.51 0.00 0.00 179.97 178.51 2kk8 s ASP 31 N -6.15 4.45 0.24 -3.80 1.01 -0.56 -4.80 116.67 107.06 2kk8 s ASP 31 Ca 0.02 1.07 0.04 0.00 0.71 0.00 0.00 52.55 54.39 2kk8 s ASP 31 Cb 0.09 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.24 2kk8 s ASP 31 CO 0.64 -1.97 -0.02 0.28 0.21 0.00 0.00 175.17 174.32 2kk8 s THR 32 N -3.32 1.14 0.37 -1.27 -1.32 -1.26 -0.73 115.64 109.26 2kk8 s THR 32 Ca 0.61 -2.05 0.05 0.00 -1.21 0.00 0.00 61.69 59.09 2kk8 s THR 32 Cb -0.13 -2.34 0.28 0.00 -1.51 0.00 0.00 72.50 68.79 2kk8 s THR 32 CO 0.52 -0.34 2.01 -0.07 -2.21 0.00 0.00 174.62 174.53 2kk8 h LEU 33 N 2.45 0.63 -1.98 9.08 3.38 -1.66 -0.48 115.31 126.73 2kk8 h LEU 33 Ca -0.38 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2kk8 h LEU 33 Cb 1.22 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2kk8 h LEU 33 CO 0.65 0.44 -0.10 0.25 0.09 0.00 0.00 178.44 179.76 2kk8 h LEU 34 N 0.73 0.00 0.06 1.67 5.85 -1.82 -2.57 115.31 119.23 2kk8 h LEU 34 Ca 0.24 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.60 2kk8 h LEU 34 Cb 0.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2kk8 h LEU 34 CO -0.06 0.10 -2.11 0.52 -0.34 0.00 0.00 178.44 176.55 2kk8 n VAL 35 N -3.85 1.64 0.19 1.05 0.31 -0.30 -4.19 118.33 113.17 2kk8 n VAL 35 Ca -0.02 -0.68 0.04 0.00 -0.01 0.00 0.00 64.34 63.66 2kk8 n VAL 35 Cb 0.20 -1.40 0.43 0.00 -0.91 0.00 0.00 33.84 32.16 2kk8 n VAL 35 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2kk8 h VAL 36 N 0.03 1.19 0.00 2.52 3.04 -1.11 -1.57 116.25 120.35 2kk8 h VAL 36 Ca -0.45 -0.89 -0.03 0.00 -1.01 0.00 0.00 66.70 64.32 2kk8 h VAL 36 Cb 2.02 1.44 -0.00 0.00 -2.01 0.00 0.00 31.29 32.73 2kk8 h VAL 36 CO 0.03 0.26 -0.16 0.11 -1.01 0.00 0.00 177.57 176.80 2kk8 h LYS 37 N 0.05 0.00 -0.43 4.17 1.57 -1.63 -0.68 116.57 119.62 2kk8 h LYS 37 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2kk8 h LYS 37 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2kk8 h LYS 37 CO 0.03 0.16 -0.07 1.96 -0.57 0.00 0.00 179.45 180.96 2kk8 h GLN 38 N 0.00 0.81 -0.16 3.15 4.20 -1.45 -0.87 115.11 120.79 2kk8 h GLN 38 Ca -0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 2kk8 h GLN 38 Cb 0.32 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2kk8 h GLN 38 CO 0.02 0.91 0.08 0.87 -0.67 0.00 0.00 178.83 180.04 2kk8 h LYS 39 N 0.63 0.22 -1.01 1.46 1.57 -1.29 -2.92 116.57 115.23 2kk8 h LYS 39 Ca 0.11 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2kk8 h LYS 39 Cb 0.59 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 2kk8 h LYS 39 CO 0.04 0.23 0.66 0.82 -0.57 0.00 0.00 179.45 180.63 2kk8 h ILE 40 N 0.15 1.18 -0.49 1.86 2.04 -1.00 -0.35 117.51 120.90 2kk8 h ILE 40 Ca 0.05 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2kk8 h ILE 40 Cb 0.08 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 35.92 2kk8 h ILE 40 CO -0.01 0.23 0.32 -0.08 0.00 0.00 0.00 178.15 178.61 2kk8 h GLU 41 N 1.28 0.63 0.00 2.37 4.81 -1.02 0.42 114.58 123.07 2kk8 h GLU 41 Ca 0.40 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.43 2kk8 h GLU 41 Cb -0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2kk8 h GLU 41 CO -0.12 0.41 -0.76 -0.09 -0.73 0.00 0.00 179.01 177.72 2kk8 h ARG 42 N 0.65 0.00 0.00 1.92 2.43 -1.25 -1.13 114.38 117.00 2kk8 h ARG 42 Ca 0.19 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2kk8 h ARG 42 Cb -0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2kk8 h ARG 42 CO -0.05 0.76 -0.72 0.77 -1.51 0.00 0.00 179.97 179.22 2kk8 h SER 43 N 0.00 0.01 0.37 -3.80 0.02 -0.77 -3.36 113.55 106.02 2kk8 h SER 43 Ca -0.01 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2kk8 h SER 43 Cb 1.50 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2kk8 h SER 43 CO 0.10 1.28 -0.26 0.00 -1.14 0.00 0.00 176.83 176.81 2kk8 n GLN 44 N -4.49 0.56 -1.18 3.45 1.13 0.15 -4.92 117.38 112.07 2kk8 n GLN 44 Ca -0.22 -0.29 -0.06 0.00 -1.94 0.00 0.00 57.00 54.48 2kk8 n GLN 44 Cb 0.60 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.97 0.00 -4.02 1.08 8.25 -0.44 -4.84 115.22 114.29 2kk8 n HIS 45 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 2kk8 n HIS 45 Cb 0.33 -1.75 -0.12 0.00 1.12 0.00 0.00 29.99 29.57 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 -1.92 4.29 0.49 1.59 -4.36 -1.15 -5.00 121.20 115.15 2kk8 s ILE 46 Ca 0.00 -0.20 -0.21 0.00 -0.26 0.00 0.00 60.65 59.98 2kk8 s ILE 46 Cb 0.00 -2.95 -0.09 0.00 1.25 0.00 0.00 42.46 40.67 2kk8 s ILE 46 CO 0.00 0.42 0.78 -2.65 0.24 0.00 0.00 174.94 173.73 2kk8 n PRO 47 N 4.12 0.89 -0.22 0.37 -0.02 -1.26 -3.89 135.00 134.99 2kk8 n PRO 47 Ca -0.17 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 61.80 2kk8 n PRO 47 Cb 0.52 -1.86 0.48 0.00 -0.02 0.00 0.00 33.50 32.62 2kk8 n PRO 47 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2kk8 h VAL 48 N 0.87 0.75 0.00 -1.45 3.04 -1.93 -0.43 116.25 117.10 2kk8 h VAL 48 Ca -0.45 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2kk8 h VAL 48 Cb 1.37 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2kk8 h VAL 48 CO 0.52 0.09 -0.02 0.28 -1.01 0.00 0.00 177.57 177.42 2kk8 h SER 49 N 0.47 0.00 0.11 3.17 0.02 -1.96 -3.08 113.55 112.28 2kk8 h SER 49 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2kk8 h SER 49 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2kk8 h SER 49 CO -0.16 0.02 -0.10 0.29 -1.14 0.00 0.00 176.83 175.74 2kk8 n LYS 50 N -3.11 1.24 -2.78 3.45 5.02 -0.18 -4.74 118.16 117.06 2kk8 n LYS 50 Ca 0.04 -0.67 -0.43 0.00 -2.02 0.00 0.00 58.31 55.23 2kk8 n LYS 50 Cb 0.53 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.22 3.28 -0.55 1.97 -0.21 -1.16 -1.01 119.66 119.76 2kk8 s GLN 51 Ca 0.33 -0.95 -0.27 0.00 0.02 0.00 0.00 55.36 54.49 2kk8 s GLN 51 Cb 0.20 -4.50 0.03 0.00 1.00 0.00 0.00 33.01 29.75 2kk8 s GLN 51 CO 0.41 -1.91 1.08 0.99 -2.12 0.00 0.00 175.29 173.74 2kk8 s THR 52 N 4.19 4.19 -0.91 -0.19 2.01 -0.68 -4.97 115.64 119.27 2kk8 s THR 52 Ca 0.29 0.70 -0.23 0.00 0.31 0.00 0.00 61.69 62.76 2kk8 s THR 52 Cb -0.11 -4.63 0.06 0.00 0.01 0.00 0.00 72.50 67.83 2kk8 s THR 52 CO 0.05 -1.21 1.32 -0.76 -0.69 0.00 0.00 174.62 173.33 2kk8 s LEU 53 N 4.49 3.74 -0.70 4.42 1.43 -1.26 -2.45 118.68 128.36 2kk8 s LEU 53 Ca 0.38 -1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 51.99 2kk8 s LEU 53 Cb -0.09 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.68 2kk8 s LEU 53 CO 0.24 -1.51 0.95 -0.63 0.23 0.00 0.00 176.35 175.63 2kk8 s ILE 54 N 4.72 4.46 -0.15 -0.59 1.01 -0.87 -0.41 121.20 129.37 2kk8 s ILE 54 Ca 0.39 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 2kk8 s ILE 54 Cb -0.04 -4.67 -0.01 0.00 0.01 0.00 0.00 42.46 37.74 2kk8 s ILE 54 CO -0.03 -1.42 -0.11 -0.69 0.00 0.00 0.00 174.94 172.69 2kk8 s VAL 55 N 3.63 3.15 0.00 2.92 1.01 -0.22 -0.87 120.40 130.01 2kk8 s VAL 55 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2kk8 s VAL 55 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2kk8 s VAL 55 CO 0.06 0.51 0.00 -0.67 0.00 0.00 0.00 175.10 175.00 2kk8 n ASP 56 N 3.71 0.00 0.00 3.32 2.03 0.06 -1.68 116.55 123.99 2kk8 n ASP 56 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2kk8 n ASP 56 Cb 0.52 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.16 -0.43 3.10 0.27 0.00 -1.26 -4.80 105.19 100.92 2kk8 n GLY 57 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.31 1.00 -0.00 -0.61 1.01 -0.68 -5.10 121.20 116.51 2kk8 s ILE 58 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 2kk8 s ILE 58 Cb 0.00 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 41.54 2kk8 s ILE 58 CO 0.00 0.15 1.44 0.54 0.00 0.00 0.00 174.94 177.07 2kk8 s VAL 59 N -0.53 3.65 -0.73 2.92 0.11 -1.26 -1.05 120.40 123.51 2kk8 s VAL 59 Ca 0.03 1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.89 2kk8 s VAL 59 Cb -0.06 -3.65 0.09 0.00 -1.53 0.00 0.00 36.38 31.23 2kk8 s VAL 59 CO 0.00 -0.01 0.96 -0.63 -3.33 0.00 0.00 175.10 172.10 2kk8 s ILE 60 N 2.57 4.53 -0.45 7.04 -1.09 0.45 -4.84 121.20 129.42 2kk8 s ILE 60 Ca 0.65 -0.84 0.23 0.00 -2.23 0.00 0.00 60.65 58.47 2kk8 s ILE 60 Cb -0.32 -4.68 0.34 0.00 -1.58 0.00 0.00 42.46 36.22 2kk8 s ILE 60 CO 0.27 -1.41 1.63 -0.07 -1.23 0.00 0.00 174.94 174.12 2kk8 h LEU 61 N 10.82 0.00 -8.26 2.97 3.38 -1.93 -3.42 115.31 118.87 2kk8 h LEU 61 Ca -0.16 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.18 2kk8 h LEU 61 Cb 1.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 2kk8 h LEU 61 CO 1.14 0.00 0.55 -0.13 0.09 0.00 0.00 178.44 180.10 2kk8 s ARG 62 N -3.21 3.12 0.00 1.13 1.81 -1.26 -4.83 118.95 115.71 2kk8 s ARG 62 Ca 0.07 -0.81 0.14 0.00 -1.72 0.00 0.00 55.73 53.42 2kk8 s ARG 62 Cb 0.06 -4.22 0.57 0.00 -0.45 0.00 0.00 34.95 30.90 2kk8 s ARG 62 CO 0.66 -1.81 1.41 0.39 -0.68 0.00 0.00 175.30 175.27 2kk8 n GLU 63 N 7.74 1.52 0.00 3.54 1.02 -1.26 -3.53 120.64 129.67 2kk8 n GLU 63 Ca -0.04 -0.80 0.14 0.00 -0.02 0.00 0.00 57.16 56.45 2kk8 n GLU 63 Cb 0.46 -1.28 0.57 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.07 0.99 -4.55 1.62 2.03 -1.26 -2.77 116.55 112.69 2kk8 n ASP 64 Ca 0.12 -1.12 -0.41 0.00 0.52 0.00 0.00 54.79 53.90 2kk8 n ASP 64 Cb 0.23 0.01 -0.08 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.20 4.37 0.80 -2.67 1.43 -1.23 -4.97 118.68 114.21 2kk8 s LEU 65 Ca 0.35 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 2kk8 s LEU 65 Cb 0.21 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.97 2kk8 s LEU 65 CO 0.41 -0.45 1.09 0.28 0.23 0.00 0.00 176.35 177.91 2kk8 s THR 66 N 2.30 3.20 0.28 5.49 -1.32 -1.26 -2.84 115.64 121.50 2kk8 s THR 66 Ca 0.17 0.39 0.01 0.00 -1.21 0.00 0.00 61.69 61.05 2kk8 s THR 66 Cb -0.16 -2.93 0.28 0.00 -1.51 0.00 0.00 72.50 68.19 2kk8 s THR 66 CO 0.13 -0.51 1.86 0.58 -2.21 0.00 0.00 174.62 174.47 2kk8 h VAL 67 N -1.20 0.99 0.00 5.08 2.07 -0.93 0.41 116.25 122.66 2kk8 h VAL 67 Ca -0.45 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2kk8 h VAL 67 Cb 1.25 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2kk8 h VAL 67 CO 0.53 0.19 -0.10 -0.08 0.02 0.00 0.00 177.57 178.14 2kk8 h GLU 68 N 1.04 0.00 0.06 1.57 4.81 -1.70 0.70 114.58 121.06 2kk8 h GLU 68 Ca 0.46 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.36 2kk8 h GLU 68 Cb 0.37 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2kk8 h GLU 68 CO -0.22 0.10 -1.84 1.04 -0.73 0.00 0.00 179.01 177.36 2kk8 n GLN 69 N -3.29 0.66 0.26 1.92 1.13 0.17 -4.23 117.38 114.00 2kk8 n GLN 69 Ca -0.00 0.36 0.16 0.00 -1.94 0.00 0.00 57.00 55.58 2kk8 n GLN 69 Cb 0.32 -1.68 0.54 0.00 0.11 0.00 0.00 30.24 29.53 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 -3.10 -2.01 -2.68 0.00 1.13 0.23 -4.91 117.38 106.04 2kk8 n GLN 71 Ca 0.02 1.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.66 2kk8 n GLN 71 Cb 0.37 -5.77 -0.03 0.00 0.11 0.00 0.00 30.24 24.92 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 -3.30 4.02 0.12 5.09 1.01 -1.19 -5.01 121.20 121.95 2kk8 s ILE 72 Ca 0.35 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2kk8 s ILE 72 Cb -0.05 -4.86 -0.04 0.00 0.01 0.00 0.00 42.46 37.52 2kk8 s ILE 72 CO 0.73 -1.72 0.27 0.68 0.00 0.00 0.00 174.94 174.89 2kk8 s VAL 73 N 4.83 5.34 0.16 2.92 -7.23 -1.26 -4.94 120.40 120.22 2kk8 s VAL 73 Ca 0.33 -0.55 0.32 0.00 -1.81 0.00 0.00 61.98 60.27 2kk8 s VAL 73 Cb -0.09 -3.70 0.33 0.00 0.56 0.00 0.00 36.38 33.48 2kk8 s VAL 73 CO 0.07 -0.01 1.98 -0.65 -0.31 0.00 0.00 175.10 176.18 2kk8 h PRO 74 N 2.47 0.00 -0.01 4.82 0.11 -1.95 -0.78 132.00 136.66 2kk8 h PRO 74 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kk8 h PRO 74 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kk8 h PRO 74 CO 0.71 0.00 -0.04 0.25 -0.21 0.00 0.00 178.00 178.71 2kk8 n THR 75 N -2.65 0.00 -2.80 -1.15 -2.24 -1.26 -4.55 114.28 99.62 2kk8 n THR 75 Ca -0.02 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2kk8 n THR 75 Cb 0.08 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.11 7.20 -0.41 3.42 0.15 -0.30 -4.99 113.70 116.66 2kk8 s SER 76 Ca 0.37 1.46 -0.29 0.00 0.70 0.00 0.00 55.95 58.20 2kk8 s SER 76 Cb 0.21 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2kk8 s SER 76 CO 0.38 -0.29 1.37 -0.62 1.20 0.00 0.00 173.24 175.28 2kk8 s ASP 77 N 1.01 6.40 -0.18 5.45 -1.08 -1.26 -4.79 116.67 122.22 2kk8 s ASP 77 Ca 0.46 0.83 0.01 0.00 -0.52 0.00 0.00 52.55 53.33 2kk8 s ASP 77 Cb -0.19 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.75 2kk8 s ASP 77 CO 0.21 -1.38 -0.17 -0.63 0.52 0.00 0.00 175.17 173.73 2kk8 s ILE 78 N 5.21 1.88 0.00 4.11 1.01 -1.26 -0.76 121.20 131.41 2kk8 s ILE 78 Ca 0.59 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2kk8 s ILE 78 Cb -0.13 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2kk8 s ILE 78 CO 0.31 0.45 -0.25 -1.58 0.00 0.00 0.00 174.94 173.87 2kk8 s GLN 79 N 1.35 2.02 -0.45 2.79 0.74 -0.05 -2.84 119.66 123.21 2kk8 s GLN 79 Ca 0.04 -0.98 -0.16 0.00 0.05 0.00 0.00 55.36 54.30 2kk8 s GLN 79 Cb -0.14 -2.04 0.05 0.00 1.10 0.00 0.00 33.01 31.97 2kk8 s GLN 79 CO -0.11 0.55 0.43 -0.51 -0.55 0.00 0.00 175.29 175.09 2kk8 s LEU 80 N -0.88 5.21 -0.24 3.68 1.43 -0.62 -2.05 118.68 125.20 2kk8 s LEU 80 Ca 0.11 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.08 2kk8 s LEU 80 Cb -0.10 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2kk8 s LEU 80 CO 0.00 -0.63 0.32 -0.70 0.23 0.00 0.00 176.35 175.57 2kk8 s GLU 81 N 1.95 4.09 -0.17 1.70 2.12 -1.02 -3.31 118.70 124.05 2kk8 s GLU 81 Ca 0.08 -0.00 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 2kk8 s GLU 81 Cb -0.20 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 2kk8 s GLU 81 CO 0.10 -0.09 1.43 0.54 -0.54 0.00 0.00 175.26 176.70 2kk8 s VAL 82 N 1.50 3.99 -0.46 3.70 0.11 -1.26 -1.69 120.40 126.29 2kk8 s VAL 82 Ca 0.14 1.17 -0.16 0.00 -2.93 0.00 0.00 61.98 60.19 2kk8 s VAL 82 Cb -0.15 -3.84 0.05 0.00 -1.53 0.00 0.00 36.38 30.92 2kk8 s VAL 82 CO 0.08 -0.20 0.43 -0.55 -3.33 0.00 0.00 175.10 171.53 2kk8 s SER 83 N 2.84 6.16 0.00 3.54 0.15 -0.18 -4.97 113.70 121.25 2kk8 s SER 83 Ca 0.62 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2kk8 s SER 83 Cb -0.24 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2kk8 s SER 83 CO 0.22 -0.64 0.00 -1.20 1.20 0.00 0.00 173.24 172.82