#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 0.24 -0.02 3.17 0.00 -1.26 -5.14 107.32 104.31 2kk8 s GLY 2 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.59 2kk8 s GLY 2 CO 0.00 -0.07 -0.10 0.30 0.00 0.00 0.00 173.10 173.23 2kk8 s HIS 3 N 0.04 0.92 -0.91 1.90 0.09 -1.26 -5.09 115.29 110.98 2kk8 s HIS 3 Ca 0.00 -0.20 -0.11 0.00 -0.00 0.00 0.00 55.06 54.75 2kk8 s HIS 3 Cb -0.03 -0.62 0.23 0.00 -0.00 0.00 0.00 32.58 32.16 2kk8 s HIS 3 CO -0.00 -0.05 0.85 -1.01 -0.00 0.00 0.00 174.74 174.53 2kk8 s HIS 4 N -0.06 3.91 0.13 1.40 4.02 -1.26 -4.86 115.29 118.57 2kk8 s HIS 4 Ca 0.01 -2.32 -0.11 0.00 1.02 0.00 0.00 55.06 53.66 2kk8 s HIS 4 Cb -0.06 -3.75 -0.08 0.00 -1.02 0.00 0.00 32.58 27.67 2kk8 s HIS 4 CO -0.00 -0.95 1.42 1.25 1.02 0.00 0.00 174.74 177.47 2kk8 h HIS 5 N 7.28 1.11 -3.65 1.40 -0.00 -2.07 -3.40 115.15 115.82 2kk8 h HIS 5 Ca 0.13 -0.39 -0.65 0.00 -0.00 0.00 0.00 60.37 59.46 2kk8 h HIS 5 Cb 0.97 -0.21 -0.16 0.00 -0.00 0.00 0.00 27.41 28.01 2kk8 h HIS 5 CO 0.91 1.22 -0.18 -1.58 -0.00 0.00 0.00 177.93 178.31 2kk8 s HIS 6 N -4.16 3.21 0.13 5.26 5.65 -1.26 -5.06 115.29 119.06 2kk8 s HIS 6 Ca -0.11 0.18 -0.06 0.00 0.25 0.00 0.00 55.06 55.31 2kk8 s HIS 6 Cb 0.10 -2.74 -0.06 0.00 -1.18 0.00 0.00 32.58 28.70 2kk8 s HIS 6 CO 0.89 -0.42 0.40 -1.01 -0.65 0.00 0.00 174.74 173.95 2kk8 s HIS 7 N 2.18 3.50 -0.24 3.88 0.09 -1.26 -5.00 115.29 118.44 2kk8 s HIS 7 Ca 0.15 0.64 0.23 0.00 -0.00 0.00 0.00 55.06 56.09 2kk8 s HIS 7 Cb -0.16 -2.07 0.50 0.00 -0.00 0.00 0.00 32.58 30.85 2kk8 s HIS 7 CO 0.12 0.44 1.12 1.58 -0.00 0.00 0.00 174.74 178.00 2kk8 n HIS 8 N 0.28 1.09 -3.69 1.40 -0.00 -1.26 -5.02 115.22 108.01 2kk8 n HIS 8 Ca -0.04 -1.99 -0.37 0.00 -0.00 0.00 0.00 57.72 55.32 2kk8 n HIS 8 Cb 0.52 -0.19 -0.09 0.00 -0.00 0.00 0.00 29.99 30.23 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 -3.60 5.35 0.00 0.26 0.01 -1.26 -4.87 113.70 109.58 2kk8 s SER 9 Ca 0.27 -2.80 0.00 0.00 1.31 0.00 0.00 55.95 54.73 2kk8 s SER 9 Cb 0.33 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2kk8 s SER 9 CO -0.05 -0.39 0.00 1.57 0.41 0.00 0.00 173.24 174.77 2kk8 n HIS 10 N 3.58 0.00 -3.89 2.43 -0.00 -1.26 -4.85 115.22 111.22 2kk8 n HIS 10 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.69 2kk8 n HIS 10 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.26 2kk8 n HIS 10 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2kk8 s MET 11 N 0.00 0.24 0.02 1.57 -2.45 -0.10 -4.96 119.30 113.62 2kk8 s MET 11 Ca 0.00 -0.23 0.08 0.00 -1.25 0.00 0.00 55.69 54.30 2kk8 s MET 11 Cb 0.00 0.10 -0.02 0.00 1.25 0.00 0.00 34.83 36.15 2kk8 s MET 11 CO 0.00 -0.05 -0.25 0.15 1.05 0.00 0.00 175.02 175.92 2kk8 s LYS 12 N -0.74 1.86 -0.09 4.11 1.02 -1.26 -0.31 119.74 124.34 2kk8 s LYS 12 Ca -0.08 -1.01 -0.07 0.00 0.02 0.00 0.00 55.97 54.83 2kk8 s LYS 12 Cb -0.05 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 2kk8 s LYS 12 CO 0.00 0.51 0.23 -0.59 -0.92 0.00 0.00 175.35 174.58 2kk8 s PHE 13 N -0.71 -0.26 -0.29 3.18 -0.71 -0.87 -4.98 117.98 113.33 2kk8 s PHE 13 Ca 0.11 0.63 -0.28 0.00 -1.04 0.00 0.00 56.93 56.35 2kk8 s PHE 13 Cb -0.10 0.07 0.01 0.00 -1.21 0.00 0.00 43.02 41.80 2kk8 s PHE 13 CO 0.01 -0.14 1.02 -1.17 -1.34 0.00 0.00 175.22 173.59 2kk8 s LEU 14 N 0.38 4.00 -0.32 -1.99 2.96 -1.26 -1.46 118.68 120.98 2kk8 s LEU 14 Ca -0.02 1.06 -0.19 0.00 -0.22 0.00 0.00 54.13 54.77 2kk8 s LEU 14 Cb -0.04 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 2kk8 s LEU 14 CO -0.02 -0.78 0.54 0.68 -1.32 0.00 0.00 176.35 175.45 2kk8 s VAL 15 N 3.42 5.00 -0.98 1.68 -7.23 -0.65 -4.64 120.40 117.01 2kk8 s VAL 15 Ca 0.43 0.58 -0.22 0.00 -1.81 0.00 0.00 61.98 60.96 2kk8 s VAL 15 Cb -0.13 -3.94 0.07 0.00 0.56 0.00 0.00 36.38 32.94 2kk8 s VAL 15 CO 0.13 -0.14 1.34 -0.70 -0.31 0.00 0.00 175.10 175.42 2kk8 s GLU 16 N 2.44 3.57 -0.15 4.82 2.56 -0.94 -3.21 118.70 127.79 2kk8 s GLU 16 Ca 0.21 -1.26 -0.29 0.00 0.00 0.00 0.00 54.97 53.63 2kk8 s GLU 16 Cb -0.15 -5.17 -0.00 0.00 2.00 0.00 0.00 34.13 30.81 2kk8 s GLU 16 CO 0.12 -2.08 1.04 1.21 -0.56 0.00 0.00 175.26 175.00 2kk8 s ASN 17 N 4.53 7.17 0.39 -1.70 2.47 -1.26 0.28 114.94 126.81 2kk8 s ASN 17 Ca 0.41 1.50 0.15 0.00 0.42 0.00 0.00 52.86 55.34 2kk8 s ASN 17 Cb -0.02 -2.55 0.79 0.00 -1.45 0.00 0.00 41.25 38.02 2kk8 s ASN 17 CO -0.08 -0.55 1.84 0.25 -3.72 0.00 0.00 177.10 174.84 2kk8 h LEU 18 N 8.63 0.00 -6.83 3.21 5.85 -1.83 -3.35 115.31 120.99 2kk8 h LEU 18 Ca -0.26 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.86 2kk8 h LEU 18 Cb 1.11 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.75 2kk8 h LEU 18 CO 0.91 0.35 -0.78 0.21 -0.34 0.00 0.00 178.44 178.78 2kk8 s ASN 19 N -6.81 3.34 0.00 1.25 2.47 -1.26 -5.04 114.94 108.88 2kk8 s ASN 19 Ca -0.03 -2.55 0.00 0.00 0.42 0.00 0.00 52.86 50.70 2kk8 s ASN 19 Cb 0.14 -0.82 0.00 0.00 -1.45 0.00 0.00 41.25 39.12 2kk8 s ASN 19 CO 0.71 -0.27 0.00 0.61 -3.72 0.00 0.00 177.10 174.43 2kk8 n GLY 20 N 3.61 -0.32 3.23 1.21 0.00 -1.26 -5.06 105.19 106.60 2kk8 n GLY 20 Ca 0.11 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 2.77 -0.55 1.61 0.15 -1.26 -4.99 113.70 107.42 2kk8 s SER 21 Ca 0.00 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 55.92 2kk8 s SER 21 Cb 0.00 -0.68 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2kk8 s SER 21 CO 0.00 0.23 1.52 -0.44 1.20 0.00 0.00 173.24 175.75 2kk8 s SER 22 N -0.18 5.96 -0.10 5.45 0.01 -1.26 -4.43 113.70 119.15 2kk8 s SER 22 Ca -0.01 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 2kk8 s SER 22 Cb -0.12 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 2kk8 s SER 22 CO 0.02 -1.83 -0.01 0.12 0.41 0.00 0.00 173.24 171.96 2kk8 s PHE 23 N 6.64 3.12 -0.73 2.43 5.36 -1.20 -4.93 117.98 128.68 2kk8 s PHE 23 Ca 0.57 0.10 -0.21 0.00 -0.96 0.00 0.00 56.93 56.43 2kk8 s PHE 23 Cb -0.12 -1.82 0.09 0.00 -0.34 0.00 0.00 43.02 40.83 2kk8 s PHE 23 CO 0.25 0.37 0.97 -2.00 -1.46 0.00 0.00 175.22 173.34 2kk8 s GLU 24 N -0.64 3.24 0.13 10.12 2.12 -1.26 -1.63 118.70 130.78 2kk8 s GLU 24 Ca 0.10 -1.18 -0.13 0.00 0.36 0.00 0.00 54.97 54.12 2kk8 s GLU 24 Cb -0.12 -4.43 -0.07 0.00 0.26 0.00 0.00 34.13 29.77 2kk8 s GLU 24 CO 0.02 -1.76 0.52 -1.17 -0.54 0.00 0.00 175.26 172.33 2kk8 s LEU 25 N 3.43 4.34 -0.32 2.70 0.20 -0.54 -4.84 118.68 123.66 2kk8 s LEU 25 Ca 0.23 1.01 -0.20 0.00 0.69 0.00 0.00 54.13 55.87 2kk8 s LEU 25 Cb -0.15 -3.21 -0.01 0.00 -0.43 0.00 0.00 46.19 42.39 2kk8 s LEU 25 CO 0.04 0.12 0.60 -0.70 -0.29 0.00 0.00 176.35 176.11 2kk8 s GLU 26 N -1.96 3.83 0.26 1.98 2.12 -1.26 -2.05 118.70 121.63 2kk8 s GLU 26 Ca 0.37 0.18 0.09 0.00 0.36 0.00 0.00 54.97 55.96 2kk8 s GLU 26 Cb -0.15 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2kk8 s GLU 26 CO 0.19 -0.59 -0.13 0.54 -0.54 0.00 0.00 175.26 174.74 2kk8 s VAL 27 N 2.56 1.95 0.21 3.70 0.11 0.58 -5.02 120.40 124.50 2kk8 s VAL 27 Ca 0.23 -2.23 0.10 0.00 -2.93 0.00 0.00 61.98 57.15 2kk8 s VAL 27 Cb -0.15 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 2kk8 s VAL 27 CO 0.12 -0.41 -0.15 -0.62 -3.33 0.00 0.00 175.10 170.71 2kk8 s ASP 28 N -3.44 3.90 0.43 3.54 -1.08 -1.26 -0.92 116.67 117.83 2kk8 s ASP 28 Ca 0.28 -0.77 0.21 0.00 -0.52 0.00 0.00 52.55 51.75 2kk8 s ASP 28 Cb -0.00 -0.50 0.97 0.00 -1.46 0.00 0.00 42.92 41.92 2kk8 s ASP 28 CO 0.11 0.09 1.87 1.88 0.52 0.00 0.00 175.17 179.64 2kk8 h TYR 29 N 2.76 0.00 -0.00 -5.34 -1.99 -1.89 -2.01 116.97 108.50 2kk8 h TYR 29 Ca -0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2kk8 h TYR 29 Cb 1.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.95 2kk8 h TYR 29 CO 0.70 0.27 -0.15 -2.13 -0.00 0.00 0.00 178.16 176.85 2kk8 n ARG 30 N -3.67 0.66 -2.39 4.88 0.00 -1.26 -0.92 116.66 113.97 2kk8 n ARG 30 Ca -0.01 -0.27 -0.38 0.00 -0.00 0.00 0.00 57.85 57.20 2kk8 n ARG 30 Cb 0.39 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.33 2kk8 n ARG 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kk8 s ASP 31 N -2.52 6.62 0.32 6.15 1.01 -0.76 -4.80 116.67 122.69 2kk8 s ASP 31 Ca 0.27 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.69 2kk8 s ASP 31 Cb 0.20 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 2kk8 s ASP 31 CO 0.49 -0.60 0.61 -0.89 0.21 0.00 0.00 175.17 175.00 2kk8 s THR 32 N -1.49 4.96 0.34 -1.27 2.01 -1.26 -0.41 115.64 118.52 2kk8 s THR 32 Ca 0.57 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.82 2kk8 s THR 32 Cb -0.28 -3.73 0.21 0.00 0.01 0.00 0.00 72.50 68.72 2kk8 s THR 32 CO 0.35 -0.36 1.94 -0.07 -0.69 0.00 0.00 174.62 175.78 2kk8 h LEU 33 N 1.61 0.65 -1.75 4.42 3.38 -1.08 -0.06 115.31 122.47 2kk8 h LEU 33 Ca -0.47 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2kk8 h LEU 33 Cb 1.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2kk8 h LEU 33 CO 0.66 0.57 -0.17 0.25 0.09 0.00 0.00 178.44 179.84 2kk8 h LEU 34 N 0.72 0.00 -0.02 1.67 5.85 -1.26 -2.09 115.31 120.18 2kk8 h LEU 34 Ca 0.18 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 2kk8 h LEU 34 Cb 0.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.15 2kk8 h LEU 34 CO -0.02 0.17 -0.51 0.58 -0.34 0.00 0.00 178.44 178.32 2kk8 h VAL 35 N 0.00 1.44 -0.02 1.05 2.07 -1.31 -3.08 116.25 116.40 2kk8 h VAL 35 Ca -0.00 -1.99 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 2kk8 h VAL 35 Cb 0.38 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2kk8 h VAL 35 CO 0.02 0.58 -0.36 1.62 0.02 0.00 0.00 177.57 179.45 2kk8 h VAL 36 N -0.14 1.27 -0.48 2.57 3.04 -1.21 -1.92 116.25 119.38 2kk8 h VAL 36 Ca -0.06 -1.27 0.06 0.00 -1.01 0.00 0.00 66.70 64.43 2kk8 h VAL 36 Cb 1.21 1.66 -0.05 0.00 -2.01 0.00 0.00 31.29 32.10 2kk8 h VAL 36 CO 0.10 0.37 0.18 0.11 -1.01 0.00 0.00 177.57 177.31 2kk8 h LYS 37 N 0.03 0.35 -0.34 4.17 1.79 -1.40 -0.81 116.57 120.36 2kk8 h LYS 37 Ca 0.00 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 2kk8 h LYS 37 Cb 0.66 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 2kk8 h LYS 37 CO 0.05 0.23 -0.11 1.96 -1.08 0.00 0.00 179.45 180.49 2kk8 h GLN 38 N 0.36 0.58 -0.00 3.15 4.20 -1.28 0.89 115.11 123.01 2kk8 h GLN 38 Ca 0.23 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2kk8 h GLN 38 Cb 0.23 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2kk8 h GLN 38 CO -0.23 0.69 0.00 0.87 -0.67 0.00 0.00 178.83 179.49 2kk8 h LYS 39 N 0.54 0.00 -0.10 1.46 1.57 -0.74 -1.71 116.57 117.59 2kk8 h LYS 39 Ca 0.10 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2kk8 h LYS 39 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2kk8 h LYS 39 CO 0.03 0.17 -0.35 0.82 -0.57 0.00 0.00 179.45 179.55 2kk8 h ILE 40 N -0.16 1.28 0.00 1.86 2.04 -1.00 -1.86 117.51 119.68 2kk8 h ILE 40 Ca 0.00 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 2kk8 h ILE 40 Cb 0.16 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kk8 h ILE 40 CO -0.00 0.40 -0.15 -0.08 0.00 0.00 0.00 178.15 178.32 2kk8 h GLU 41 N 0.17 0.00 0.17 2.37 4.81 -0.59 0.18 114.58 121.70 2kk8 h GLU 41 Ca 0.02 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 2kk8 h GLU 41 Cb 0.70 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.10 2kk8 h GLU 41 CO 0.05 0.15 -1.08 -0.09 -0.73 0.00 0.00 179.01 177.31 2kk8 h ARG 42 N 0.00 0.35 -0.03 1.92 2.43 -0.56 -2.19 114.38 116.31 2kk8 h ARG 42 Ca -0.00 -0.60 -0.04 0.00 -0.81 0.00 0.00 59.98 58.53 2kk8 h ARG 42 Cb 0.33 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2kk8 h ARG 42 CO 0.02 1.29 -0.14 0.77 -1.51 0.00 0.00 179.97 180.39 2kk8 h SER 43 N -0.23 0.18 0.00 -3.80 0.02 -0.85 -3.34 113.55 105.53 2kk8 h SER 43 Ca -0.20 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2kk8 h SER 43 Cb 1.80 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.28 2kk8 h SER 43 CO 0.17 0.81 -1.23 0.00 -1.14 0.00 0.00 176.83 175.44 2kk8 n GLN 44 N -4.62 0.51 -1.36 3.45 1.13 0.60 -4.97 117.38 112.12 2kk8 n GLN 44 Ca -0.09 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.79 2kk8 n GLN 44 Cb 0.41 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.68 0.00 -3.35 1.08 8.25 -0.82 -4.99 115.22 113.70 2kk8 n HIS 45 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2kk8 n HIS 45 Cb 0.37 -2.29 -0.09 0.00 1.12 0.00 0.00 29.99 29.10 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 -2.43 5.14 0.87 1.59 -4.36 -1.25 -4.99 121.20 115.77 2kk8 s ILE 46 Ca 0.00 0.49 -0.11 0.00 -0.26 0.00 0.00 60.65 60.77 2kk8 s ILE 46 Cb 0.00 -3.77 0.12 0.00 1.25 0.00 0.00 42.46 40.06 2kk8 s ILE 46 CO 0.00 0.06 1.17 -2.84 0.24 0.00 0.00 174.94 173.57 2kk8 s PRO 47 N 2.14 1.27 0.29 0.37 0.02 -1.26 -4.00 135.00 133.83 2kk8 s PRO 47 Ca 0.16 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.86 2kk8 s PRO 47 Cb -0.16 -1.75 0.72 0.00 0.02 0.00 0.00 34.50 33.33 2kk8 s PRO 47 CO 0.11 -2.47 1.75 0.28 -0.33 0.00 0.00 177.00 176.34 2kk8 h VAL 48 N -1.47 0.63 -0.01 3.83 2.07 -1.92 0.72 116.25 120.10 2kk8 h VAL 48 Ca -0.44 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 2kk8 h VAL 48 Cb 1.28 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2kk8 h VAL 48 CO 0.43 0.11 -0.34 0.77 0.02 0.00 0.00 177.57 178.57 2kk8 h SER 49 N 0.62 0.01 -0.23 0.57 4.64 -2.00 -2.45 113.55 114.72 2kk8 h SER 49 Ca 0.56 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2kk8 h SER 49 Cb 0.94 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2kk8 h SER 49 CO -0.42 0.35 0.00 0.29 -0.87 0.00 0.00 176.83 176.18 2kk8 n LYS 50 N -4.13 2.38 -3.23 4.77 5.02 0.03 -4.76 118.16 118.24 2kk8 n LYS 50 Ca -0.02 -2.06 -0.46 0.00 -2.02 0.00 0.00 58.31 53.76 2kk8 n LYS 50 Cb 0.38 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.72 3.75 -0.63 1.97 0.74 0.00 -2.72 119.66 121.05 2kk8 s GLN 51 Ca 0.34 -2.48 -0.25 0.00 0.05 0.00 0.00 55.36 53.03 2kk8 s GLN 51 Cb 0.21 -4.59 0.05 0.00 1.10 0.00 0.00 33.01 29.78 2kk8 s GLN 51 CO 0.31 -1.40 1.06 0.99 -0.55 0.00 0.00 175.29 175.70 2kk8 s THR 52 N 0.47 4.16 -0.82 -0.34 2.01 -1.12 -4.95 115.64 115.05 2kk8 s THR 52 Ca 0.25 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 2kk8 s THR 52 Cb -0.09 -4.70 0.03 0.00 0.01 0.00 0.00 72.50 67.75 2kk8 s THR 52 CO -0.08 -1.43 1.42 -0.76 -0.69 0.00 0.00 174.62 173.08 2kk8 s LEU 53 N 4.54 3.28 -0.70 4.42 1.43 -1.26 -2.18 118.68 128.21 2kk8 s LEU 53 Ca 0.30 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2kk8 s LEU 53 Cb -0.12 -2.56 0.10 0.00 0.03 0.00 0.00 46.19 43.64 2kk8 s LEU 53 CO 0.16 -1.83 0.89 -0.63 0.23 0.00 0.00 176.35 175.16 2kk8 s ILE 54 N 6.04 4.66 -0.61 -0.59 1.01 -0.40 -3.69 121.20 127.62 2kk8 s ILE 54 Ca 0.43 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 2kk8 s ILE 54 Cb -0.06 -4.62 0.08 0.00 0.01 0.00 0.00 42.46 37.87 2kk8 s ILE 54 CO 0.07 -1.32 0.85 0.54 0.00 0.00 0.00 174.94 175.08 2kk8 s VAL 55 N 3.05 4.54 0.00 2.92 0.11 0.16 -1.17 120.40 130.00 2kk8 s VAL 55 Ca 0.20 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2kk8 s VAL 55 Cb -0.17 -4.57 0.00 0.00 -1.53 0.00 0.00 36.38 30.11 2kk8 s VAL 55 CO 0.04 -1.26 0.00 -0.67 -3.33 0.00 0.00 175.10 169.88 2kk8 n ASP 56 N 7.11 0.00 -0.60 3.54 2.03 0.12 -1.72 116.55 127.04 2kk8 n ASP 56 Ca -0.05 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.24 2kk8 n ASP 56 Cb 0.45 0.00 -0.02 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 0.00 0.85 3.17 0.27 0.00 -1.26 -4.97 105.19 103.25 2kk8 n GLY 57 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.38 -0.21 -0.61 -1.09 -0.70 -5.12 121.20 114.86 2kk8 s ILE 58 Ca 0.00 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.53 2kk8 s ILE 58 Cb 0.00 -1.17 -0.03 0.00 -1.58 0.00 0.00 42.46 39.68 2kk8 s ILE 58 CO 0.00 0.32 0.05 0.54 -1.23 0.00 0.00 174.94 174.62 2kk8 s VAL 59 N -0.50 4.46 -0.18 2.92 0.11 -1.26 -0.67 120.40 125.28 2kk8 s VAL 59 Ca 0.06 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.78 2kk8 s VAL 59 Cb -0.07 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 2kk8 s VAL 59 CO -0.00 0.41 0.54 -0.63 -3.33 0.00 0.00 175.10 172.09 2kk8 s ILE 60 N 0.88 5.10 -1.42 7.04 -1.09 -1.24 -4.93 121.20 125.53 2kk8 s ILE 60 Ca 0.03 1.01 0.14 0.00 -2.23 0.00 0.00 60.65 59.59 2kk8 s ILE 60 Cb -0.14 -3.86 0.27 0.00 -1.58 0.00 0.00 42.46 37.15 2kk8 s ILE 60 CO 0.02 0.19 1.17 0.18 -1.23 0.00 0.00 174.94 175.27 2kk8 n LEU 61 N 4.63 2.76 -4.33 2.97 4.77 -1.26 -4.83 117.00 121.71 2kk8 n LEU 61 Ca -0.04 -1.59 -0.47 0.00 -0.03 0.00 0.00 56.01 53.88 2kk8 n LEU 61 Cb 0.50 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2kk8 n LEU 61 CO 0.43 0.63 0.47 -0.13 -1.33 0.00 0.00 177.39 177.46 2kk8 s ARG 62 N -1.07 3.68 0.54 3.23 1.81 -1.26 -4.87 118.95 121.01 2kk8 s ARG 62 Ca 0.24 -2.57 0.34 0.00 -1.72 0.00 0.00 55.73 52.02 2kk8 s ARG 62 Cb 0.14 -4.44 1.44 0.00 -0.45 0.00 0.00 34.95 31.64 2kk8 s ARG 62 CO 0.19 -1.28 2.00 0.93 -0.68 0.00 0.00 175.30 176.46 2kk8 h GLU 63 N 7.61 0.00 0.00 3.54 4.39 -1.93 -3.08 114.58 125.11 2kk8 h GLU 63 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2kk8 h GLU 63 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2kk8 h GLU 63 CO 0.79 0.00 -0.04 -3.47 -1.16 0.00 0.00 179.01 175.12 2kk8 n ASP 64 N -3.01 0.68 -4.77 1.42 2.03 -1.26 -0.85 116.55 110.79 2kk8 n ASP 64 Ca 0.00 0.53 -0.39 0.00 0.52 0.00 0.00 54.79 55.45 2kk8 n ASP 64 Cb 0.27 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.93 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 -4.27 4.56 0.41 -2.67 1.43 -1.16 -4.82 118.68 112.15 2kk8 s LEU 65 Ca 0.11 1.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 2kk8 s LEU 65 Cb 0.13 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.71 2kk8 s LEU 65 CO 0.60 0.14 0.92 -0.89 0.23 0.00 0.00 176.35 177.34 2kk8 s THR 66 N -1.25 4.43 0.22 5.49 2.01 -1.26 -1.06 115.64 124.22 2kk8 s THR 66 Ca 0.40 1.42 -0.07 0.00 0.31 0.00 0.00 61.69 63.76 2kk8 s THR 66 Cb -0.23 -3.62 0.17 0.00 0.01 0.00 0.00 72.50 68.83 2kk8 s THR 66 CO 0.28 -0.28 1.77 0.58 -0.69 0.00 0.00 174.62 176.28 2kk8 h VAL 67 N 1.95 0.84 -0.50 3.82 2.07 -0.81 0.44 116.25 124.06 2kk8 h VAL 67 Ca -0.49 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kk8 h VAL 67 Cb 1.18 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2kk8 h VAL 67 CO 0.62 0.11 0.22 -0.08 0.02 0.00 0.00 177.57 178.46 2kk8 h GLU 68 N 0.58 0.70 -0.30 1.57 4.81 -1.27 -1.23 114.58 119.43 2kk8 h GLU 68 Ca 0.35 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 2kk8 h GLU 68 Cb 0.38 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kk8 h GLU 68 CO -0.27 0.56 -0.48 1.96 -0.73 0.00 0.00 179.01 180.04 2kk8 h GLN 69 N 0.70 0.85 0.00 1.92 1.08 -1.28 -2.67 115.11 115.70 2kk8 h GLN 69 Ca 0.17 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2kk8 h GLN 69 Cb 0.10 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2kk8 h GLN 69 CO -0.02 1.16 0.00 0.00 -0.95 0.00 0.00 178.83 179.01 2kk8 n GLN 71 N -1.99 -1.64 -2.35 0.00 6.02 -0.49 -4.90 117.38 112.04 2kk8 n GLN 71 Ca 0.05 0.79 -0.43 0.00 -0.01 0.00 0.00 57.00 57.40 2kk8 n GLN 71 Cb 0.32 -4.92 -0.02 0.00 1.02 0.00 0.00 30.24 26.64 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 -3.34 4.13 0.00 5.09 -1.09 -1.11 -5.01 121.20 119.87 2kk8 s ILE 72 Ca 0.37 1.38 -0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2kk8 s ILE 72 Cb -0.09 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2kk8 s ILE 72 CO 0.80 -0.10 0.09 0.68 -1.23 0.00 0.00 174.94 175.18 2kk8 s VAL 73 N 3.39 4.77 -0.09 2.92 -7.23 -1.26 -4.99 120.40 117.90 2kk8 s VAL 73 Ca 0.58 -0.42 0.30 0.00 -1.81 0.00 0.00 61.98 60.63 2kk8 s VAL 73 Cb -0.24 -3.20 0.32 0.00 0.56 0.00 0.00 36.38 33.82 2kk8 s VAL 73 CO 0.19 0.33 1.89 1.55 -0.31 0.00 0.00 175.10 178.74 2kk8 h PRO 74 N 4.00 0.00 -2.12 4.82 0.13 -2.00 -3.28 132.00 133.54 2kk8 h PRO 74 Ca -0.49 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.40 2kk8 h PRO 74 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2kk8 h PRO 74 CO 0.63 0.00 0.11 0.25 -0.23 0.00 0.00 178.00 178.76 2kk8 n THR 75 N -2.63 3.13 -3.50 1.56 -2.24 -1.26 -4.76 114.28 104.57 2kk8 n THR 75 Ca 0.00 -1.61 -0.02 0.00 -2.27 0.00 0.00 64.05 60.15 2kk8 n THR 75 Cb 0.20 -2.07 -0.00 0.00 -2.10 0.00 0.00 70.33 66.36 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2kk8 n SER 76 N 2.63 -0.26 -3.61 3.42 2.88 -1.24 -5.12 113.62 112.32 2kk8 n SER 76 Ca 0.47 -1.29 -0.13 0.00 -1.33 0.00 0.00 58.87 56.59 2kk8 n SER 76 Cb 0.83 0.46 -0.12 0.00 -0.75 0.00 0.00 64.21 64.63 2kk8 n SER 76 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kk8 s ASP 77 N -1.34 0.44 -0.36 -3.46 2.15 -1.26 -4.99 116.67 107.86 2kk8 s ASP 77 Ca 0.04 0.48 -0.09 0.00 0.43 0.00 0.00 52.55 53.41 2kk8 s ASP 77 Cb -0.00 0.74 0.03 0.00 -0.30 0.00 0.00 42.92 43.39 2kk8 s ASP 77 CO 0.03 -0.26 0.16 -0.63 -0.17 0.00 0.00 175.17 174.30 2kk8 s ILE 78 N 2.43 4.20 -0.05 4.11 1.01 -1.26 0.11 121.20 131.75 2kk8 s ILE 78 Ca 0.03 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2kk8 s ILE 78 Cb -0.13 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2kk8 s ILE 78 CO -0.10 -0.20 -0.05 -1.58 0.00 0.00 0.00 174.94 173.01 2kk8 s GLN 79 N 1.48 2.77 -0.43 2.79 0.74 -0.32 -2.20 119.66 124.50 2kk8 s GLN 79 Ca 0.00 -0.55 -0.16 0.00 0.05 0.00 0.00 55.36 54.70 2kk8 s GLN 79 Cb -0.19 -2.63 0.03 0.00 1.10 0.00 0.00 33.01 31.32 2kk8 s GLN 79 CO 0.05 0.66 0.39 -0.51 -0.55 0.00 0.00 175.29 175.33 2kk8 s LEU 80 N -0.99 5.05 -0.47 3.68 1.43 0.14 -1.28 118.68 126.24 2kk8 s LEU 80 Ca 0.14 -0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 2kk8 s LEU 80 Cb -0.11 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2kk8 s LEU 80 CO 0.03 -0.56 0.91 -0.70 0.23 0.00 0.00 176.35 176.26 2kk8 s GLU 81 N 1.94 3.48 -0.36 1.70 2.12 -0.92 -2.26 118.70 124.39 2kk8 s GLU 81 Ca 0.09 0.05 -0.20 0.00 0.36 0.00 0.00 54.97 55.26 2kk8 s GLU 81 Cb -0.19 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.26 2kk8 s GLU 81 CO 0.11 -1.25 0.62 0.54 -0.54 0.00 0.00 175.26 174.74 2kk8 s VAL 82 N 3.71 4.90 0.10 3.70 0.11 -1.26 -2.80 120.40 128.87 2kk8 s VAL 82 Ca 0.35 0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 59.61 2kk8 s VAL 82 Cb -0.11 -4.07 -0.06 0.00 -1.53 0.00 0.00 36.38 30.61 2kk8 s VAL 82 CO 0.25 -0.33 1.01 -0.44 -3.33 0.00 0.00 175.10 172.26 2kk8 s SER 83 N 1.81 7.40 0.00 3.54 0.01 -1.10 -5.01 113.70 120.34 2kk8 s SER 83 Ca 0.24 1.85 0.23 0.00 1.31 0.00 0.00 55.95 59.58 2kk8 s SER 83 Cb -0.15 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.68 2kk8 s SER 83 CO 0.15 -0.16 1.24 -1.20 0.41 0.00 0.00 173.24 173.68