#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbn s GLU 2 N 0.00 4.24 0.54 0.03 0.41 -1.26 -5.03 118.70 117.63 2kbn s GLU 2 Ca 0.00 1.26 -0.20 0.00 -0.41 0.00 0.00 54.97 55.62 2kbn s GLU 2 Cb 0.00 -2.36 -0.06 0.00 -1.78 0.00 0.00 34.13 29.93 2kbn s GLU 2 CO 0.00 -0.03 1.12 -1.25 -0.49 0.00 0.00 175.26 174.61 2kbn s PRO 3 N -2.84 3.39 -0.96 0.39 0.04 -1.26 -4.92 135.00 128.84 2kbn s PRO 3 Ca 0.60 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 2kbn s PRO 3 Cb -0.14 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2kbn s PRO 3 CO 0.18 -0.81 1.61 -0.65 0.04 0.00 0.00 177.00 177.37 2kbn s GLN 4 N -3.27 3.21 0.20 4.56 1.11 -1.26 -4.96 119.66 119.26 2kbn s GLN 4 Ca 0.72 -0.76 -0.28 0.00 0.01 0.00 0.00 55.36 55.05 2kbn s GLN 4 Cb -0.24 -5.18 -0.08 0.00 -1.01 0.00 0.00 33.01 26.50 2kbn s GLN 4 CO 0.27 -2.60 0.87 -0.51 0.01 0.00 0.00 175.29 173.33 2kbn s LEU 5 N 6.77 4.62 -0.07 2.90 1.43 -1.26 -2.20 118.68 130.87 2kbn s LEU 5 Ca 0.54 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.48 2kbn s LEU 5 Cb -0.03 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.73 2kbn s LEU 5 CO -0.05 0.18 -0.15 -0.89 0.23 0.00 0.00 176.35 175.67 2kbn s THR 6 N -1.13 1.31 0.47 5.49 2.01 -0.02 -4.90 115.64 118.87 2kbn s THR 6 Ca 0.39 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 2kbn s THR 6 Cb -0.25 -1.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.02 2kbn s THR 6 CO 0.29 0.39 0.91 -0.54 -0.69 0.00 0.00 174.62 174.98 2kbn s LYS 7 N 0.50 3.90 0.16 4.92 -0.14 -1.26 -4.65 119.74 123.16 2kbn s LYS 7 Ca -0.13 0.79 -0.13 0.00 -1.36 0.00 0.00 55.97 55.14 2kbn s LYS 7 Cb -0.15 -2.23 0.05 0.00 -1.68 0.00 0.00 37.83 33.82 2kbn s LYS 7 CO 0.04 -0.18 1.72 0.82 -0.76 0.00 0.00 175.35 176.99 2kbn h ILE 8 N 1.02 1.21 0.00 2.17 2.04 -1.96 -1.87 117.51 120.11 2kbn h ILE 8 Ca -0.47 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 2kbn h ILE 8 Cb 1.19 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2kbn h ILE 8 CO 0.62 0.25 -0.10 1.62 0.00 0.00 0.00 178.15 180.54 2kbn h VAL 9 N 0.71 0.47 0.00 1.67 3.04 -1.94 -1.16 116.25 119.05 2kbn h VAL 9 Ca 0.18 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2kbn h VAL 9 Cb 0.18 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2kbn h VAL 9 CO -0.02 0.10 0.00 -0.67 -1.01 0.00 0.00 177.57 175.98 2kbn n ASP 10 N -3.54 0.00 -4.65 3.17 2.03 -0.71 -4.75 116.55 108.10 2kbn n ASP 10 Ca -0.02 -0.61 -0.43 0.00 0.52 0.00 0.00 54.79 54.26 2kbn n ASP 10 Cb 0.24 -0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.49 2kbn n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kbn s ILE 11 N -2.25 4.48 0.00 5.18 1.01 -0.44 -4.78 121.20 124.40 2kbn s ILE 11 Ca 0.38 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.78 2kbn s ILE 11 Cb 0.21 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2kbn s ILE 11 CO 0.40 -0.33 0.06 1.33 0.00 0.00 0.00 174.94 176.40 2kbn n VAL 12 N 5.66 0.00 -3.87 2.92 0.24 -1.26 -5.07 118.33 116.96 2kbn n VAL 12 Ca 0.13 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 2kbn n VAL 12 Cb 0.46 1.48 -0.14 0.00 -1.47 0.00 0.00 33.84 34.17 2kbn n VAL 12 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kbn s GLU 13 N -0.08 0.02 0.39 7.34 0.41 -1.26 -5.15 118.70 120.37 2kbn s GLU 13 Ca 0.00 0.03 -0.02 0.00 -0.41 0.00 0.00 54.97 54.57 2kbn s GLU 13 Cb 0.00 -0.08 -0.03 0.00 -1.78 0.00 0.00 34.13 32.24 2kbn s GLU 13 CO 0.00 -0.03 0.63 0.54 -0.49 0.00 0.00 175.26 175.91 2kbn s ASN 14 N 0.23 6.29 0.00 -0.19 4.22 -1.26 -4.09 114.94 120.13 2kbn s ASN 14 Ca -0.02 0.62 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 2kbn s ASN 14 Cb -0.03 -2.11 0.00 0.00 1.28 0.00 0.00 41.25 40.39 2kbn s ASN 14 CO -0.01 -0.39 0.00 0.61 -2.04 0.00 0.00 177.10 175.27 2kbn n GLY 15 N -1.94 0.83 3.74 0.45 0.00 0.74 -4.94 105.19 104.07 2kbn n GLY 15 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2kbn n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kbn s GLN 16 N -0.08 4.77 -0.10 1.61 0.74 -1.26 -4.65 119.66 120.69 2kbn s GLN 16 Ca 0.00 1.52 -0.16 0.00 0.05 0.00 0.00 55.36 56.77 2kbn s GLN 16 Cb 0.00 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 2kbn s GLN 16 CO 0.00 0.36 0.41 -1.58 -0.55 0.00 0.00 175.29 173.92 2kbn s TRP 17 N -0.70 3.55 0.03 1.67 0.52 -1.26 -2.27 118.94 120.47 2kbn s TRP 17 Ca 0.44 0.83 -0.27 0.00 0.02 0.00 0.00 56.10 57.11 2kbn s TRP 17 Cb -0.26 -2.43 0.10 0.00 -1.15 0.00 0.00 33.47 29.73 2kbn s TRP 17 CO 0.32 0.30 1.22 0.00 0.02 0.00 0.00 176.95 178.81 2kbn s ALA 18 N 0.19 -2.20 -0.05 0.98 0.00 -1.07 -4.96 121.76 114.65 2kbn s ALA 18 Ca 0.23 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 2kbn s ALA 18 Cb -0.15 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2kbn s ALA 18 CO 0.09 -1.11 0.06 -0.80 0.00 0.00 0.00 175.76 174.01 2kbn s ASN 19 N -3.49 5.65 -0.01 0.00 0.01 -0.93 -2.57 114.94 113.59 2kbn s ASN 19 Ca 0.24 0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.61 2kbn s ASN 19 Cb 0.00 -1.65 -0.00 0.00 0.41 0.00 0.00 41.25 40.01 2kbn s ASN 19 CO -0.00 0.33 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.62 2kbn s LEU 20 N -1.33 1.95 -0.06 0.60 2.96 -0.82 -0.84 118.68 121.14 2kbn s LEU 20 Ca 0.18 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2kbn s LEU 20 Cb -0.12 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 2kbn s LEU 20 CO 0.08 0.09 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.21 2kbn s LYS 21 N -0.08 2.59 0.28 1.98 2.20 -1.26 0.10 119.74 125.55 2kbn s LYS 21 Ca 0.02 -0.89 -0.21 0.00 -0.36 0.00 0.00 55.97 54.53 2kbn s LYS 21 Cb -0.04 -2.19 0.03 0.00 -1.51 0.00 0.00 37.83 34.12 2kbn s LYS 21 CO -0.00 0.38 0.77 0.00 -0.36 0.00 0.00 175.35 176.14 2kbn s ALA 22 N -0.16 -1.20 -0.01 3.13 0.00 -1.10 -4.98 121.76 117.45 2kbn s ALA 22 Ca -0.04 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2kbn s ALA 22 Cb -0.14 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 2kbn s ALA 22 CO 0.04 -1.03 -0.15 0.21 0.00 0.00 0.00 175.76 174.83 2kbn s LYS 23 N -3.52 2.34 -0.30 0.00 2.20 -1.09 -2.09 119.74 117.29 2kbn s LYS 23 Ca 0.12 -0.81 -0.25 0.00 -0.36 0.00 0.00 55.97 54.67 2kbn s LYS 23 Cb -0.05 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 2kbn s LYS 23 CO 0.07 0.59 0.86 0.08 -0.36 0.00 0.00 175.35 176.59 2kbn s VAL 24 N -0.85 4.74 -0.12 4.02 1.01 -1.10 -1.49 120.40 126.61 2kbn s VAL 24 Ca 0.14 1.39 0.11 0.00 0.00 0.00 0.00 61.98 63.61 2kbn s VAL 24 Cb -0.11 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 2kbn s VAL 24 CO 0.03 -0.27 0.04 2.30 0.00 0.00 0.00 175.10 177.21 2kbn n ILE 25 N 5.55 0.85 -3.64 2.22 -5.35 -1.26 -1.10 119.36 116.63 2kbn n ILE 25 Ca 0.06 -0.52 -0.07 0.00 -0.27 0.00 0.00 62.75 61.95 2kbn n ILE 25 Cb 0.48 -0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 37.63 2kbn n ILE 25 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kbn s GLN 26 N -2.30 0.60 -0.05 6.28 0.74 -1.26 -4.88 119.66 118.80 2kbn s GLN 26 Ca -0.06 0.92 -0.04 0.00 0.05 0.00 0.00 55.36 56.23 2kbn s GLN 26 Cb 0.04 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.35 2kbn s GLN 26 CO 0.50 -0.11 0.12 -0.48 -0.55 0.00 0.00 175.29 174.78 2kbn s LEU 27 N 1.10 1.37 -0.09 3.68 2.34 -1.26 -2.69 118.68 123.12 2kbn s LEU 27 Ca -0.06 0.25 0.03 0.00 0.06 0.00 0.00 54.13 54.41 2kbn s LEU 27 Cb -0.05 0.39 -0.01 0.00 -0.56 0.00 0.00 46.19 45.96 2kbn s LEU 27 CO -0.13 -0.06 -0.18 0.26 -1.06 0.00 0.00 176.35 175.18 2kbn s TRP 28 N 0.31 2.67 0.33 3.48 0.51 -0.83 -4.98 118.94 120.43 2kbn s TRP 28 Ca -0.02 -0.64 -0.29 0.00 -2.12 0.00 0.00 56.10 53.04 2kbn s TRP 28 Cb -0.03 -1.73 -0.10 0.00 -0.81 0.00 0.00 33.47 30.80 2kbn s TRP 28 CO -0.01 -0.17 1.32 -1.21 -0.51 0.00 0.00 176.95 176.37 2kbn s GLU 29 N 0.03 4.34 -0.15 4.98 0.41 -1.26 -2.36 118.70 124.69 2kbn s GLU 29 Ca -0.07 2.25 0.16 0.00 -0.41 0.00 0.00 54.97 56.90 2kbn s GLU 29 Cb -0.15 -3.06 -0.23 0.00 -1.78 0.00 0.00 34.13 28.91 2kbn s GLU 29 CO 0.05 -0.22 0.11 -1.71 -0.49 0.00 0.00 175.26 173.01 2kbn n ASN 30 N 0.78 0.72 -0.34 -0.19 5.15 -1.02 -4.81 115.26 115.54 2kbn n ASN 30 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 2kbn n ASN 30 Cb 0.42 1.07 -0.01 0.00 -0.53 0.00 0.00 39.78 40.72 2kbn n ASN 30 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2kbn n THR 31 N -2.57 0.00 -2.69 -0.44 -2.24 -0.66 -4.88 114.28 100.80 2kbn n THR 31 Ca -0.25 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 2kbn n THR 31 Cb 0.98 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2kbn n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2kbn s HIS 32 N -1.00 3.44 0.11 4.78 3.76 -0.50 -4.97 115.29 120.91 2kbn s HIS 32 Ca 0.00 1.69 -0.21 0.00 -0.15 0.00 0.00 55.06 56.39 2kbn s HIS 32 Cb 0.00 -2.99 -0.09 0.00 1.11 0.00 0.00 32.58 30.60 2kbn s HIS 32 CO 0.00 -0.20 1.75 1.49 -0.85 0.00 0.00 174.74 176.93 2kbn h GLU 33 N 2.62 0.10 -0.12 1.40 4.81 -1.97 -2.77 114.58 118.65 2kbn h GLU 33 Ca -0.48 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 2kbn h GLU 33 Cb 1.20 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2kbn h GLU 33 CO 0.63 0.07 -0.62 0.77 -0.73 0.00 0.00 179.01 179.13 2kbn h SER 34 N 0.10 0.49 -3.31 1.04 0.02 -1.98 -3.44 113.55 106.48 2kbn h SER 34 Ca 0.05 -0.28 -0.62 0.00 -0.84 0.00 0.00 61.79 60.09 2kbn h SER 34 Cb 0.02 -0.14 -0.34 0.00 0.14 0.00 0.00 62.40 62.08 2kbn h SER 34 CO -0.04 0.99 -0.85 -0.63 -1.14 0.00 0.00 176.83 175.15 2kbn s ILE 35 N -3.82 1.71 -0.08 3.27 1.01 -1.05 -4.29 121.20 117.94 2kbn s ILE 35 Ca -0.06 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 2kbn s ILE 35 Cb 0.11 -1.52 -0.18 0.00 0.01 0.00 0.00 42.46 40.88 2kbn s ILE 35 CO 0.83 0.48 0.78 -1.28 0.00 0.00 0.00 174.94 175.75 2kbn h SER 36 N 7.10 -0.07 -4.72 3.58 0.87 -0.58 -1.34 113.55 118.39 2kbn h SER 36 Ca -0.27 -0.55 -0.14 0.00 -1.23 0.00 0.00 61.79 59.60 2kbn h SER 36 Cb 1.20 0.02 -0.22 0.00 -0.44 0.00 0.00 62.40 62.96 2kbn h SER 36 CO 0.49 0.62 -0.39 -1.58 -0.53 0.00 0.00 176.83 175.44 2kbn s GLN 37 N -2.88 0.51 -0.01 2.24 -0.44 -1.23 -1.65 119.66 116.20 2kbn s GLN 37 Ca -0.14 -0.15 0.02 0.00 -2.50 0.00 0.00 55.36 52.59 2kbn s GLN 37 Cb -0.01 0.22 -0.00 0.00 -1.64 0.00 0.00 33.01 31.58 2kbn s GLN 37 CO 0.52 -0.12 -0.07 0.54 0.50 0.00 0.00 175.29 176.65 2kbn s VAL 38 N -1.02 0.61 0.00 1.34 0.11 -1.00 -1.29 120.40 119.15 2kbn s VAL 38 Ca -0.11 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2kbn s VAL 38 Cb -0.05 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2kbn s VAL 38 CO 0.02 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 2kbn n GLY 39 N 3.05 2.38 3.07 6.54 0.00 -1.04 -1.96 105.19 117.23 2kbn n GLY 39 Ca -0.15 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 2kbn n GLY 39 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kbn s LEU 40 N 0.00 2.12 -0.07 0.99 2.34 -1.09 -1.41 118.68 121.55 2kbn s LEU 40 Ca 0.00 -0.34 0.04 0.00 0.06 0.00 0.00 54.13 53.89 2kbn s LEU 40 Cb 0.00 -0.46 -0.02 0.00 -0.56 0.00 0.00 46.19 45.15 2kbn s LEU 40 CO 0.00 0.03 -0.18 -0.76 -1.06 0.00 0.00 176.35 174.38 2kbn s LEU 41 N -0.79 2.48 0.60 1.48 1.43 -0.72 -4.07 118.68 119.10 2kbn s LEU 41 Ca 0.01 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2kbn s LEU 41 Cb -0.06 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2kbn s LEU 41 CO 0.00 0.27 0.95 -0.83 0.23 0.00 0.00 176.35 176.97 2kbn s GLY 42 N -0.29 1.60 -0.26 -3.19 0.00 -0.56 -2.64 107.32 101.98 2kbn s GLY 42 Ca 0.01 -0.44 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 2kbn s GLY 42 CO 0.03 -0.17 1.25 -0.35 0.00 0.00 0.00 173.10 173.86 2kbn s ASP 43 N -4.24 -0.19 0.33 1.64 -1.08 -0.53 -2.67 116.67 109.93 2kbn s ASP 43 Ca 0.54 0.28 0.16 0.00 -0.52 0.00 0.00 52.55 53.01 2kbn s ASP 43 Cb -0.11 0.26 0.86 0.00 -1.46 0.00 0.00 42.92 42.48 2kbn s ASP 43 CO 0.49 -0.11 1.41 -0.62 0.52 0.00 0.00 175.17 176.86 2kbn n GLU 44 N 1.19 0.11 0.01 4.34 1.02 -1.26 0.78 120.64 126.82 2kbn n GLU 44 Ca -0.08 0.59 0.11 0.00 -0.02 0.00 0.00 57.16 57.77 2kbn n GLU 44 Cb 0.58 -2.05 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 2kbn n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2kbn n THR 45 N -2.12 0.05 0.00 2.62 -2.24 -1.26 -5.06 114.28 106.26 2kbn n THR 45 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2kbn n THR 45 Cb 0.23 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2kbn n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kbn n GLY 46 N 1.47 0.91 3.16 3.38 0.00 0.23 -4.64 105.19 109.70 2kbn n GLY 46 Ca 0.04 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 2kbn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kbn s ILE 47 N -2.99 1.59 0.01 -0.61 1.01 -1.26 -1.45 121.20 117.50 2kbn s ILE 47 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.90 2kbn s ILE 47 Cb 0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2kbn s ILE 47 CO 0.00 0.45 -0.15 -0.51 0.00 0.00 0.00 174.94 174.73 2kbn s ILE 48 N 0.09 1.18 0.35 2.92 2.07 -1.08 -4.97 121.20 121.75 2kbn s ILE 48 Ca -0.06 -0.77 -0.13 0.00 -1.41 0.00 0.00 60.65 58.28 2kbn s ILE 48 Cb -0.13 -1.01 -0.08 0.00 0.13 0.00 0.00 42.46 41.37 2kbn s ILE 48 CO 0.03 0.23 0.73 -0.54 -1.91 0.00 0.00 174.94 173.48 2kbn s LYS 49 N -0.62 3.89 0.07 3.50 1.02 -1.26 -1.75 119.74 124.59 2kbn s LYS 49 Ca 0.05 0.55 -0.04 0.00 0.02 0.00 0.00 55.97 56.54 2kbn s LYS 49 Cb -0.06 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2kbn s LYS 49 CO 0.00 0.09 0.05 -0.59 -0.92 0.00 0.00 175.35 173.99 2kbn s PHE 50 N -2.13 0.41 -0.01 3.18 -0.71 -0.50 -2.68 117.98 115.55 2kbn s PHE 50 Ca 0.52 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 2kbn s PHE 50 Cb -0.10 -0.28 0.01 0.00 -1.21 0.00 0.00 43.02 41.44 2kbn s PHE 50 CO 0.23 -0.45 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.57 2kbn s THR 51 N -3.91 0.13 -0.27 -4.49 -1.32 -1.08 -2.50 115.64 102.19 2kbn s THR 51 Ca 0.07 -0.03 -0.08 0.00 -1.21 0.00 0.00 61.69 60.45 2kbn s THR 51 Cb 0.07 -0.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.89 2kbn s THR 51 CO -0.10 0.06 0.09 -0.63 -2.21 0.00 0.00 174.62 171.84 2kbn s ILE 52 N 0.22 4.35 0.18 5.08 1.01 -0.42 -2.07 121.20 129.55 2kbn s ILE 52 Ca -0.02 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 2kbn s ILE 52 Cb -0.04 -3.11 -0.08 0.00 0.01 0.00 0.00 42.46 39.24 2kbn s ILE 52 CO -0.01 0.23 0.72 0.26 0.00 0.00 0.00 174.94 176.14 2kbn s TRP 53 N 1.60 3.75 -1.12 3.97 0.52 -1.09 -0.08 118.94 126.48 2kbn s TRP 53 Ca 0.05 1.44 0.04 0.00 0.02 0.00 0.00 56.10 57.65 2kbn s TRP 53 Cb -0.16 -2.64 0.16 0.00 -1.15 0.00 0.00 33.47 29.68 2kbn s TRP 53 CO 0.04 0.43 1.06 1.63 0.02 0.00 0.00 176.95 180.13 2kbn n LYS 54 N 1.12 0.01 0.02 4.98 5.02 -1.26 -1.07 118.16 126.98 2kbn n LYS 54 Ca -0.04 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 2kbn n LYS 54 Cb 0.50 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.49 2kbn n LYS 54 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kbn n ASN 55 N -1.44 0.15 0.04 4.39 2.85 -1.26 -2.48 115.26 117.52 2kbn n ASN 55 Ca 0.01 0.52 0.08 0.00 -0.11 0.00 0.00 54.58 55.09 2kbn n ASN 55 Cb 0.04 -0.56 -0.08 0.00 1.24 0.00 0.00 39.78 40.41 2kbn n ASN 55 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kbn n ALA 56 N -1.56 2.48 -4.27 5.20 0.00 -0.23 -3.77 120.51 118.35 2kbn n ALA 56 Ca 0.05 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 2kbn n ALA 56 Cb 0.28 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.75 2kbn n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kbn n GLU 57 N -2.56 -0.92 -3.64 0.00 4.71 -1.03 -4.86 120.64 112.32 2kbn n GLU 57 Ca -0.05 0.10 -0.31 0.00 -0.01 0.00 0.00 57.16 56.89 2kbn n GLU 57 Cb 0.64 -3.45 -0.05 0.00 -1.01 0.00 0.00 31.44 27.57 2kbn n GLU 57 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2kbn s LEU 58 N -7.39 4.25 0.00 -4.62 1.43 -1.26 -4.94 118.68 106.15 2kbn s LEU 58 Ca 0.08 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2kbn s LEU 58 Cb -0.04 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2kbn s LEU 58 CO 0.99 0.03 0.26 -0.81 0.23 0.00 0.00 176.35 177.05 2kbn n PRO 59 N 0.04 0.40 -1.55 1.29 -0.04 -1.26 -4.90 135.00 128.98 2kbn n PRO 59 Ca -0.02 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 2kbn n PRO 59 Cb 0.52 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 2kbn n PRO 59 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kbn n LEU 60 N 0.45 -1.50 -4.81 1.53 4.77 -1.26 -4.85 117.00 111.34 2kbn n LEU 60 Ca 0.00 2.66 -0.37 0.00 -0.03 0.00 0.00 56.01 58.27 2kbn n LEU 60 Cb 0.13 -3.12 -0.06 0.00 -2.33 0.00 0.00 43.42 38.04 2kbn n LEU 60 CO 0.00 -1.02 0.43 -0.76 -1.33 0.00 0.00 177.39 174.70 2kbn s LEU 61 N -5.71 4.39 0.31 2.23 1.02 -1.26 -5.06 118.68 114.61 2kbn s LEU 61 Ca 0.00 1.46 -0.12 0.00 0.02 0.00 0.00 54.13 55.49 2kbn s LEU 61 Cb 0.00 -3.52 -0.08 0.00 0.02 0.00 0.00 46.19 42.62 2kbn s LEU 61 CO 0.00 0.07 0.69 -1.61 0.02 0.00 0.00 176.35 175.52 2kbn s GLU 62 N -1.80 3.88 0.09 1.70 0.41 -1.26 -5.04 118.70 116.68 2kbn s GLU 62 Ca 0.41 0.49 -0.30 0.00 -0.41 0.00 0.00 54.97 55.16 2kbn s GLU 62 Cb -0.18 -2.49 -0.06 0.00 -1.78 0.00 0.00 34.13 29.63 2kbn s GLU 62 CO 0.22 0.16 1.11 -1.14 -0.49 0.00 0.00 175.26 175.12 2kbn s GLN 63 N -3.16 4.52 0.00 1.61 0.74 -1.26 -3.22 119.66 118.90 2kbn s GLN 63 Ca 0.51 1.66 0.00 0.00 0.05 0.00 0.00 55.36 57.58 2kbn s GLN 63 Cb -0.10 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.66 2kbn s GLN 63 CO 0.22 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 2kbn n GLY 64 N 2.73 0.85 3.83 2.59 0.00 -0.26 -5.02 105.19 109.91 2kbn n GLY 64 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2kbn n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbn s GLU 65 N -0.66 3.11 -0.06 1.61 8.01 -1.20 -4.84 118.70 124.66 2kbn s GLU 65 Ca 0.00 -0.57 -0.16 0.00 0.01 0.00 0.00 54.97 54.26 2kbn s GLU 65 Cb 0.00 -2.86 -0.05 0.00 -4.31 0.00 0.00 34.13 26.91 2kbn s GLU 65 CO 0.00 0.60 0.41 -1.54 0.01 0.00 0.00 175.26 174.74 2kbn s SER 66 N -2.31 6.71 0.02 -0.19 1.04 -1.26 -2.69 113.70 115.02 2kbn s SER 66 Ca 0.30 0.85 0.06 0.00 0.48 0.00 0.00 55.95 57.64 2kbn s SER 66 Cb -0.12 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 2kbn s SER 66 CO 0.23 0.18 -0.19 -0.31 0.98 0.00 0.00 173.24 174.13 2kbn s TYR 67 N -0.28 1.68 -0.42 5.02 2.02 -0.89 -2.71 117.35 121.78 2kbn s TYR 67 Ca 0.23 -0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 56.49 2kbn s TYR 67 Cb -0.16 -1.03 0.08 0.00 -0.40 0.00 0.00 41.96 40.45 2kbn s TYR 67 CO 0.11 0.04 0.26 -1.17 -1.57 0.00 0.00 175.55 173.22 2kbn s LEU 68 N -0.88 5.16 0.26 -1.29 2.96 -0.75 -2.69 118.68 121.45 2kbn s LEU 68 Ca 0.07 -1.50 -0.29 0.00 -0.22 0.00 0.00 54.13 52.19 2kbn s LEU 68 Cb -0.08 -1.99 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 2kbn s LEU 68 CO 0.01 -0.54 0.95 -0.76 -1.32 0.00 0.00 176.35 174.69 2kbn s LEU 69 N 1.43 4.57 0.00 -0.68 1.43 0.11 -2.62 118.68 122.93 2kbn s LEU 69 Ca 0.03 1.94 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 2kbn s LEU 69 Cb -0.23 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 2kbn s LEU 69 CO 0.02 0.08 -0.06 -0.13 0.23 0.00 0.00 176.35 176.50 2kbn s ARG 70 N -1.41 0.44 -1.47 1.70 0.52 -0.59 -1.94 118.95 116.20 2kbn s ARG 70 Ca 0.43 -0.29 -0.09 0.00 -0.52 0.00 0.00 55.73 55.26 2kbn s ARG 70 Cb -0.25 -0.38 0.06 0.00 0.52 0.00 0.00 34.95 34.90 2kbn s ARG 70 CO 0.31 0.10 0.87 0.43 0.02 0.00 0.00 175.30 177.03 2kbn n SER 71 N 2.68 -3.54 -4.98 0.23 7.64 -1.23 -2.58 113.62 111.84 2kbn n SER 71 Ca -0.15 -0.81 -0.20 0.00 1.01 0.00 0.00 58.87 58.72 2kbn n SER 71 Cb 0.58 -3.86 -0.01 0.00 -1.01 0.00 0.00 64.21 59.90 2kbn n SER 71 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kbn s VAL 72 N -3.44 4.70 -0.11 0.44 -7.23 -1.06 -4.44 120.40 109.26 2kbn s VAL 72 Ca 0.45 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.67 2kbn s VAL 72 Cb -0.23 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 2kbn s VAL 72 CO 0.83 -0.28 -0.03 0.54 -0.31 0.00 0.00 175.10 175.86 2kbn s VAL 73 N -2.11 4.02 -0.10 1.32 0.11 -1.21 -2.59 120.40 119.83 2kbn s VAL 73 Ca 0.40 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 2kbn s VAL 73 Cb -0.09 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2kbn s VAL 73 CO 0.31 0.56 1.06 -0.69 -3.33 0.00 0.00 175.10 173.00 2kbn s VAL 74 N -0.35 4.65 0.63 2.04 1.01 -0.96 -1.15 120.40 126.27 2kbn s VAL 74 Ca 0.06 1.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 2kbn s VAL 74 Cb -0.12 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2kbn s VAL 74 CO 0.02 -0.01 0.98 -0.83 0.00 0.00 0.00 175.10 175.27 2kbn s GLY 75 N 1.20 1.61 -0.14 4.51 0.00 0.21 -0.19 107.32 114.52 2kbn s GLY 75 Ca 0.50 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 2kbn s GLY 75 CO 0.18 -0.18 -0.13 -1.83 0.00 0.00 0.00 173.10 171.14 2kbn s GLU 76 N -5.14 3.33 -0.50 2.90 -1.05 -1.26 -2.66 118.70 114.31 2kbn s GLU 76 Ca 0.55 -0.70 0.04 0.00 -0.15 0.00 0.00 54.97 54.71 2kbn s GLU 76 Cb -0.11 -2.65 0.17 0.00 -0.44 0.00 0.00 34.13 31.10 2kbn s GLU 76 CO 0.49 0.12 0.38 0.71 0.95 0.00 0.00 175.26 177.91 2kbn s TYR 77 N 0.57 1.93 0.00 4.83 1.51 -0.69 -4.95 117.35 120.55 2kbn s TYR 77 Ca -0.08 -2.63 0.00 0.00 -1.01 0.00 0.00 57.07 53.35 2kbn s TYR 77 Cb -0.16 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 2kbn s TYR 77 CO 0.03 -0.74 0.00 0.09 -1.11 0.00 0.00 175.55 173.83 2kbn n ASN 78 N 2.67 0.00 -0.15 2.29 3.02 -1.26 0.94 115.26 122.77 2kbn n ASN 78 Ca 0.24 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 2kbn n ASN 78 Cb 0.42 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.90 2kbn n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kbn n ASP 79 N 7.59 0.84 -4.94 6.41 8.00 -1.26 -4.91 116.55 128.30 2kbn n ASP 79 Ca 0.00 -0.66 -0.20 0.00 0.71 0.00 0.00 54.79 54.64 2kbn n ASP 79 Cb 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 2kbn n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kbn s ARG 80 N -2.70 2.89 0.09 -1.24 0.52 0.27 -5.13 118.95 113.65 2kbn s ARG 80 Ca 0.19 -1.19 0.06 0.00 -0.52 0.00 0.00 55.73 54.27 2kbn s ARG 80 Cb 0.18 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 2kbn s ARG 80 CO 0.60 0.00 -0.16 -0.06 0.02 0.00 0.00 175.30 175.69 2kbn s PHE 81 N -2.27 1.42 0.32 -0.53 0.08 -1.26 -1.70 117.98 114.04 2kbn s PHE 81 Ca 0.45 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.05 2kbn s PHE 81 Cb -0.08 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 2kbn s PHE 81 CO 0.30 0.12 0.37 -0.65 -0.10 0.00 0.00 175.22 175.25 2kbn s GLN 82 N -1.91 1.76 -0.08 0.44 -0.21 -1.09 -4.58 119.66 113.98 2kbn s GLN 82 Ca 0.02 -1.80 0.04 0.00 0.02 0.00 0.00 55.36 53.64 2kbn s GLN 82 Cb -0.09 0.39 -0.01 0.00 1.00 0.00 0.00 33.01 34.29 2kbn s GLN 82 CO 0.03 -0.69 -0.22 0.14 -2.12 0.00 0.00 175.29 172.43 2kbn s VAL 83 N -3.36 2.31 -0.19 1.09 -7.23 -1.09 0.67 120.40 112.59 2kbn s VAL 83 Ca 0.34 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2kbn s VAL 83 Cb 0.01 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 2kbn s VAL 83 CO 0.21 0.56 -0.09 -1.10 -0.31 0.00 0.00 175.10 174.38 2kbn s GLN 84 N 0.03 3.33 -0.11 4.82 -0.21 -0.30 -2.64 119.66 124.57 2kbn s GLN 84 Ca -0.08 -0.67 -0.20 0.00 0.02 0.00 0.00 55.36 54.43 2kbn s GLN 84 Cb -0.15 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 2kbn s GLN 84 CO 0.05 -0.10 0.56 0.08 -2.12 0.00 0.00 175.29 173.76 2kbn s VAL 85 N 1.18 5.13 0.27 1.09 1.01 -0.88 -3.34 120.40 124.86 2kbn s VAL 85 Ca 0.02 1.12 -0.06 0.00 0.00 0.00 0.00 61.98 63.05 2kbn s VAL 85 Cb -0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2kbn s VAL 85 CO -0.03 0.28 0.39 0.54 0.00 0.00 0.00 175.10 176.28 2kbn s ASN 86 N 0.74 0.32 0.86 3.32 2.20 -1.26 -2.68 114.94 118.44 2kbn s ASN 86 Ca 0.30 -1.23 -0.17 0.00 -0.94 0.00 0.00 52.86 50.82 2kbn s ASN 86 Cb -0.16 0.56 -0.11 0.00 -2.00 0.00 0.00 41.25 39.54 2kbn s ASN 86 CO 0.13 -1.12 -0.36 1.17 -2.94 0.00 0.00 177.10 173.97 2kbn n LYS 87 N -0.42 -0.00 0.00 3.55 4.81 -1.25 -1.57 118.16 123.28 2kbn n LYS 87 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2kbn n LYS 87 Cb 0.63 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.48 2kbn n LYS 87 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kbn n ASN 88 N 2.26 0.00 -4.79 3.14 2.85 -1.26 -4.98 115.26 112.48 2kbn n ASN 88 Ca 0.03 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 2kbn n ASN 88 Cb 0.53 -0.01 -0.04 0.00 1.24 0.00 0.00 39.78 41.50 2kbn n ASN 88 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2kbn s SER 89 N -0.68 6.51 0.10 1.20 0.01 -0.61 -4.90 113.70 115.33 2kbn s SER 89 Ca 0.00 1.99 0.08 0.00 1.31 0.00 0.00 55.95 59.34 2kbn s SER 89 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2kbn s SER 89 CO 0.00 -0.67 -0.21 -0.44 0.41 0.00 0.00 173.24 172.34 2kbn s SER 90 N -1.77 2.54 -0.03 2.44 0.01 -1.07 -4.98 113.70 110.84 2kbn s SER 90 Ca 0.63 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.22 2kbn s SER 90 Cb -0.19 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.90 2kbn s SER 90 CO 0.24 0.06 -0.09 -0.63 0.41 0.00 0.00 173.24 173.23 2kbn s ILE 91 N -1.18 0.78 -0.09 1.44 1.01 -1.26 -1.54 121.20 120.36 2kbn s ILE 91 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2kbn s ILE 91 Cb -0.10 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2kbn s ILE 91 CO 0.04 0.25 -0.11 -0.70 0.00 0.00 0.00 174.94 174.42 2kbn s GLU 92 N 0.25 1.67 0.18 2.79 2.12 -1.08 -4.94 118.70 119.69 2kbn s GLU 92 Ca -0.04 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 2kbn s GLU 92 Cb -0.09 -1.51 -0.08 0.00 0.26 0.00 0.00 34.13 32.72 2kbn s GLU 92 CO 0.01 -0.09 1.14 0.15 -0.54 0.00 0.00 175.26 175.93 2kbn s LYS 93 N 1.08 4.54 -0.14 4.30 1.02 -1.26 -1.81 119.74 127.47 2kbn s LYS 93 Ca -0.07 1.78 -0.05 0.00 0.02 0.00 0.00 55.97 57.66 2kbn s LYS 93 Cb -0.14 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2kbn s LYS 93 CO -0.01 -0.01 0.03 -0.51 -0.92 0.00 0.00 175.35 173.93 2kbn s LEU 94 N -0.26 3.69 0.00 3.17 1.02 -1.10 -4.97 118.68 120.23 2kbn s LEU 94 Ca 0.51 0.10 0.30 0.00 0.02 0.00 0.00 54.13 55.07 2kbn s LEU 94 Cb -0.31 -1.89 1.50 0.00 0.02 0.00 0.00 46.19 45.52 2kbn s LEU 94 CO 0.35 0.27 2.01 -1.54 0.02 0.00 0.00 176.35 177.46 2kbn n SER 95 N 2.88 0.41 -3.98 2.29 3.41 -1.26 -4.45 113.62 112.91 2kbn n SER 95 Ca -0.18 -0.86 -0.31 0.00 -0.26 0.00 0.00 58.87 57.26 2kbn n SER 95 Cb 0.53 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.29 2kbn n SER 95 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2kbn s GLU 96 N -2.21 2.12 0.62 4.33 -1.05 -1.26 -5.10 118.70 116.15 2kbn s GLU 96 Ca 0.38 -2.62 -0.18 0.00 -0.15 0.00 0.00 54.97 52.39 2kbn s GLU 96 Cb 0.21 -3.41 -0.03 0.00 -0.44 0.00 0.00 34.13 30.46 2kbn s GLU 96 CO 0.41 -1.13 1.15 -2.30 0.95 0.00 0.00 175.26 174.34 2kbn n PRO 97 N 3.16 1.04 -2.51 -4.83 -0.02 -1.26 -4.96 135.00 125.62 2kbn n PRO 97 Ca 0.06 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 2kbn n PRO 97 Cb 0.33 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2kbn n PRO 97 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2kbn s ILE 98 N -1.44 3.61 -0.29 4.25 -4.36 -1.26 -4.98 121.20 116.73 2kbn s ILE 98 Ca 0.79 1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 62.25 2kbn s ILE 98 Cb -0.40 -3.76 0.01 0.00 1.25 0.00 0.00 42.46 39.56 2kbn s ILE 98 CO 0.44 0.13 1.05 -1.61 0.24 0.00 0.00 174.94 175.18 2kbn s GLU 99 N -2.15 4.12 0.00 0.37 2.02 -1.26 -4.85 118.70 116.95 2kbn s GLU 99 Ca 0.54 1.13 0.12 0.00 0.02 0.00 0.00 54.97 56.78 2kbn s GLU 99 Cb -0.26 -3.71 0.02 0.00 0.10 0.00 0.00 34.13 30.29 2kbn s GLU 99 CO 0.32 -0.81 0.74 1.33 0.02 0.00 0.00 175.26 176.86 2kbn n VAL 100 N 5.69 0.00 -3.40 2.63 0.24 -1.26 -4.66 118.33 117.57 2kbn n VAL 100 Ca 0.12 -0.41 0.01 0.00 -2.04 0.00 0.00 64.34 62.02 2kbn n VAL 100 Cb 0.47 1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.96 2kbn n VAL 100 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kbn s GLY 101 N -1.40 -0.11 0.00 7.63 0.00 -1.26 -5.00 107.32 107.18 2kbn s GLY 101 Ca 0.11 3.13 0.26 0.00 0.00 0.00 0.00 44.72 48.22 2kbn s GLY 101 CO 0.26 3.20 1.78 1.04 0.00 0.00 0.00 173.10 179.38 2kbn n LEU 102 N 4.80 1.08 0.00 0.66 4.32 -1.26 -4.86 117.00 121.74 2kbn n LEU 102 Ca -0.10 -0.40 -0.10 0.00 -0.02 0.00 0.00 56.01 55.39 2kbn n LEU 102 Cb 0.53 -0.03 0.10 0.00 -1.62 0.00 0.00 43.42 42.40 2kbn n LEU 102 CO -0.04 0.20 0.12 -1.84 -1.22 0.00 0.00 177.39 174.61 2kbn n GLU 103 N -0.12 -1.11 -0.32 3.23 0.28 -1.26 -4.83 120.64 116.51 2kbn n GLU 103 Ca 0.19 -0.49 0.07 0.00 -0.16 0.00 0.00 57.16 56.77 2kbn n GLU 103 Cb 0.27 -0.93 0.23 0.00 1.43 0.00 0.00 31.44 32.44 2kbn n GLU 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kbn n HIS 104 N -3.78 0.81 -0.17 -1.84 8.25 -1.26 -4.25 115.22 112.98 2kbn n HIS 104 Ca 0.05 -0.36 -0.08 0.00 -0.26 0.00 0.00 57.72 57.06 2kbn n HIS 104 Cb 0.20 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.25 2kbn n HIS 104 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kbn h HIS 105 N 2.86 0.70 -0.69 4.41 6.17 -1.92 -2.64 115.15 124.04 2kbn h HIS 105 Ca 0.00 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.00 2kbn h HIS 105 Cb 0.83 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 30.51 2kbn h HIS 105 CO 0.41 0.55 0.24 0.45 0.71 0.00 0.00 177.93 180.29 2kbn h HIS 106 N 0.64 1.09 -4.03 5.26 3.86 -1.90 -3.43 115.15 116.64 2kbn h HIS 106 Ca 0.17 -0.10 -0.50 0.00 -1.16 0.00 0.00 60.37 58.78 2kbn h HIS 106 Cb 0.11 -0.32 0.04 0.00 1.06 0.00 0.00 27.41 28.30 2kbn h HIS 106 CO -0.01 0.86 0.29 -1.58 0.86 0.00 0.00 177.93 178.36 2kbn s HIS 107 N -5.46 3.56 0.01 2.45 5.65 -1.00 -5.09 115.29 115.41 2kbn s HIS 107 Ca -0.12 1.17 -0.02 0.00 0.25 0.00 0.00 55.06 56.34 2kbn s HIS 107 Cb 0.14 -2.59 -0.01 0.00 -1.18 0.00 0.00 32.58 28.94 2kbn s HIS 107 CO 0.83 -0.44 0.02 -1.01 -0.65 0.00 0.00 174.74 173.48 2kbn s HIS 108 N -2.85 0.15 0.00 3.88 0.09 -1.26 -4.91 115.29 110.39 2kbn s HIS 108 Ca 0.53 -0.31 0.00 0.00 -0.00 0.00 0.00 55.06 55.28 2kbn s HIS 108 Cb -0.11 -0.12 0.00 0.00 -0.00 0.00 0.00 32.58 32.36 2kbn s HIS 108 CO 0.44 -0.17 0.00 1.58 -0.00 0.00 0.00 174.74 176.59