#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ken s GLU 2 N 0.00 3.70 0.40 2.12 2.02 -1.26 -4.99 118.70 120.69 2ken s GLU 2 Ca 0.00 0.89 -0.24 0.00 0.02 0.00 0.00 54.97 55.64 2ken s GLU 2 Cb 0.00 -2.10 -0.12 0.00 0.10 0.00 0.00 34.13 32.02 2ken s GLU 2 CO 0.00 -0.49 0.83 -2.30 0.02 0.00 0.00 175.26 173.33 2ken n PRO 3 N -2.19 1.02 -2.53 0.39 -0.02 -1.26 -4.88 135.00 125.53 2ken n PRO 3 Ca 0.07 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 2ken n PRO 3 Cb 0.54 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 2ken n PRO 3 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2ken s GLN 4 N -1.78 4.00 -0.14 -0.52 -0.21 -1.26 -5.00 119.66 114.75 2ken s GLN 4 Ca 0.63 1.17 -0.20 0.00 0.02 0.00 0.00 55.36 56.97 2ken s GLN 4 Cb -0.60 -3.81 -0.03 0.00 1.00 0.00 0.00 33.01 29.56 2ken s GLN 4 CO 0.57 -1.01 0.58 -0.51 -2.12 0.00 0.00 175.29 172.81 2ken s LEU 5 N 3.99 4.23 -0.04 2.90 1.43 -1.26 -2.05 118.68 127.89 2ken s LEU 5 Ca 0.51 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.58 2ken s LEU 5 Cb -0.15 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 2ken s LEU 5 CO 0.19 -0.13 -0.24 -0.89 0.23 0.00 0.00 176.35 175.52 2ken s THR 6 N 1.15 1.94 0.17 5.49 2.01 -1.10 -4.95 115.64 120.34 2ken s THR 6 Ca 0.29 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 2ken s THR 6 Cb -0.16 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 2ken s THR 6 CO 0.12 0.54 0.39 -0.54 -0.69 0.00 0.00 174.62 174.44 2ken s LYS 7 N -0.36 3.58 0.21 4.92 -0.14 -1.26 -4.75 119.74 121.94 2ken s LYS 7 Ca 0.03 -0.17 -0.09 0.00 -1.36 0.00 0.00 55.97 54.37 2ken s LYS 7 Cb -0.11 -2.84 0.25 0.00 -1.68 0.00 0.00 37.83 33.45 2ken s LYS 7 CO 0.01 0.43 1.79 0.82 -0.76 0.00 0.00 175.35 177.64 2ken h ILE 8 N 1.84 0.91 0.00 2.17 1.08 -1.96 0.46 117.51 122.01 2ken h ILE 8 Ca -0.47 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2ken h ILE 8 Cb 1.17 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2ken h ILE 8 CO 0.71 0.11 0.00 1.62 -0.69 0.00 0.00 178.15 179.90 2ken h VAL 9 N 0.59 0.00 -0.01 1.67 3.04 -1.94 -0.46 116.25 119.14 2ken h VAL 9 Ca 0.30 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2ken h VAL 9 Cb 0.25 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2ken h VAL 9 CO -0.21 0.00 -0.02 -0.67 -1.01 0.00 0.00 177.57 175.66 2ken n ASP 10 N -2.81 1.05 -4.62 3.17 2.03 0.16 -4.80 116.55 110.73 2ken n ASP 10 Ca -0.01 -1.30 -0.42 0.00 0.52 0.00 0.00 54.79 53.59 2ken n ASP 10 Cb 0.16 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 2ken n ASP 10 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ken s ILE 11 N -2.05 4.82 0.00 5.18 1.01 -0.18 -4.80 121.20 125.17 2ken s ILE 11 Ca 0.39 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2ken s ILE 11 Cb 0.21 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2ken s ILE 11 CO 0.36 -0.17 0.00 0.55 0.00 0.00 0.00 174.94 175.68 2ken n VAL 12 N 5.43 0.00 -4.24 2.92 3.14 -1.26 -5.06 118.33 119.25 2ken n VAL 12 Ca 0.04 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.25 2ken n VAL 12 Cb 0.48 1.52 -0.14 0.00 -1.06 0.00 0.00 33.84 34.64 2ken n VAL 12 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2ken s GLU 13 N 0.00 0.55 0.44 1.45 2.12 -1.26 -5.15 118.70 116.84 2ken s GLU 13 Ca 0.00 -0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 2ken s GLU 13 Cb 0.00 -0.52 -0.01 0.00 0.26 0.00 0.00 34.13 33.85 2ken s GLU 13 CO 0.00 0.14 0.67 0.54 -0.54 0.00 0.00 175.26 176.07 2ken s ASN 14 N -0.23 5.97 -0.84 -1.70 4.22 -1.26 -4.20 114.94 116.90 2ken s ASN 14 Ca 0.02 0.42 0.00 0.00 -2.14 0.00 0.00 52.86 51.16 2ken s ASN 14 Cb -0.03 -1.74 0.00 0.00 1.28 0.00 0.00 41.25 40.76 2ken s ASN 14 CO -0.00 -0.61 0.00 0.61 -2.04 0.00 0.00 177.10 175.06 2ken n GLY 15 N -2.06 0.99 3.85 0.45 0.00 0.90 -4.94 105.19 104.38 2ken n GLY 15 Ca -0.00 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2ken n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ken s GLN 16 N -2.61 3.83 -0.18 1.61 0.74 -1.26 -4.80 119.66 116.98 2ken s GLN 16 Ca 0.00 0.30 -0.14 0.00 0.05 0.00 0.00 55.36 55.58 2ken s GLN 16 Cb 0.00 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 2ken s GLN 16 CO 0.00 0.70 0.29 -1.58 -0.55 0.00 0.00 175.29 174.15 2ken s TRP 17 N -1.10 3.42 0.18 1.67 0.52 -1.26 -2.28 118.94 120.08 2ken s TRP 17 Ca 0.23 0.53 -0.07 0.00 0.02 0.00 0.00 56.10 56.81 2ken s TRP 17 Cb -0.16 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 29.83 2ken s TRP 17 CO 0.12 0.16 0.39 0.00 0.02 0.00 0.00 176.95 177.64 2ken n ALA 18 N 3.88 -0.90 -2.37 0.98 0.00 -1.04 -4.98 120.51 116.08 2ken n ALA 18 Ca -0.12 -0.59 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 2ken n ALA 18 Cb 0.52 0.46 -0.16 0.00 0.00 0.00 0.00 19.45 20.26 2ken n ALA 18 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ken s ASN 19 N -2.01 2.95 0.07 0.00 0.01 -0.87 -2.25 114.94 112.84 2ken s ASN 19 Ca 0.08 -0.46 0.08 0.00 -0.71 0.00 0.00 52.86 51.85 2ken s ASN 19 Cb -0.02 -0.37 -0.03 0.00 0.41 0.00 0.00 41.25 41.23 2ken s ASN 19 CO 0.05 0.30 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.99 2ken s LEU 20 N -0.55 2.57 -0.04 0.60 2.01 0.22 -2.69 118.68 120.81 2ken s LEU 20 Ca 0.08 -0.50 -0.01 0.00 0.01 0.00 0.00 54.13 53.72 2ken s LEU 20 Cb -0.10 -1.48 0.03 0.00 0.01 0.00 0.00 46.19 44.65 2ken s LEU 20 CO -0.01 0.23 0.02 -0.75 1.01 0.00 0.00 176.35 176.86 2ken s LYS 21 N -1.65 0.18 0.03 1.70 2.20 -1.26 -0.03 119.74 120.91 2ken s LYS 21 Ca 0.15 0.19 -0.13 0.00 -0.36 0.00 0.00 55.97 55.82 2ken s LYS 21 Cb -0.10 -0.53 0.05 0.00 -1.51 0.00 0.00 37.83 35.73 2ken s LYS 21 CO 0.06 -0.23 0.62 0.00 -0.36 0.00 0.00 175.35 175.44 2ken n ALA 22 N 4.66 -1.70 -2.65 3.13 0.00 -1.02 -4.85 120.51 118.07 2ken n ALA 22 Ca -0.17 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 2ken n ALA 22 Cb 0.50 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 2ken n ALA 22 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ken s LYS 23 N -2.01 2.39 -0.42 0.00 2.20 -1.09 -1.02 119.74 119.78 2ken s LYS 23 Ca 0.14 -0.98 -0.21 0.00 -0.36 0.00 0.00 55.97 54.55 2ken s LYS 23 Cb -0.01 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.92 2ken s LYS 23 CO 0.01 0.50 0.69 0.08 -0.36 0.00 0.00 175.35 176.27 2ken s VAL 24 N -1.45 4.78 -0.15 4.02 1.01 -1.16 0.57 120.40 128.03 2ken s VAL 24 Ca 0.25 0.32 0.18 0.00 0.00 0.00 0.00 61.98 62.74 2ken s VAL 24 Cb -0.11 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 2ken s VAL 24 CO 0.17 -0.58 0.93 0.16 0.00 0.00 0.00 175.10 175.79 2ken h ILE 25 N 5.87 0.41 -2.33 2.22 3.07 -1.92 -2.73 117.51 122.10 2ken h ILE 25 Ca -0.25 -1.78 -0.08 0.00 1.55 0.00 0.00 64.86 64.30 2ken h ILE 25 Cb 1.10 1.94 -0.20 0.00 -0.27 0.00 0.00 36.82 39.39 2ken h ILE 25 CO 0.90 0.23 0.02 -1.10 -1.05 0.00 0.00 178.15 177.16 2ken s GLN 26 N -3.03 0.87 0.08 0.16 -0.21 -1.26 -4.94 119.66 111.32 2ken s GLN 26 Ca -0.02 0.31 -0.00 0.00 0.02 0.00 0.00 55.36 55.67 2ken s GLN 26 Cb 0.09 0.41 -0.04 0.00 1.00 0.00 0.00 33.01 34.46 2ken s GLN 26 CO 0.80 -0.23 -0.03 -0.48 -2.12 0.00 0.00 175.29 173.23 2ken s LEU 27 N -0.81 2.42 -0.19 2.90 2.34 -1.26 -2.32 118.68 121.76 2ken s LEU 27 Ca -0.09 -1.03 -0.05 0.00 0.06 0.00 0.00 54.13 53.03 2ken s LEU 27 Cb -0.02 0.11 0.07 0.00 -0.56 0.00 0.00 46.19 45.79 2ken s LEU 27 CO 0.06 -0.57 0.12 0.86 -1.06 0.00 0.00 176.35 175.77 2ken s TRP 28 N -3.83 0.09 0.11 3.48 -0.00 0.29 -4.91 118.94 114.17 2ken s TRP 28 Ca 0.11 -0.23 -0.31 0.00 -0.00 0.00 0.00 56.10 55.67 2ken s TRP 28 Cb 0.07 -0.63 -0.08 0.00 -0.00 0.00 0.00 33.47 32.83 2ken s TRP 28 CO -0.07 -0.55 1.45 -1.83 -0.00 0.00 0.00 176.95 175.95 2ken s GLU 29 N 2.18 4.28 0.15 5.86 -1.05 -1.26 -1.29 118.70 127.57 2ken s GLU 29 Ca 0.04 2.15 0.04 0.00 -0.15 0.00 0.00 54.97 57.05 2ken s GLU 29 Cb -0.16 -3.29 -0.04 0.00 -0.44 0.00 0.00 34.13 30.21 2ken s GLU 29 CO -0.12 -0.51 0.14 1.21 0.95 0.00 0.00 175.26 176.93 2ken s ASN 30 N 1.29 5.59 -0.38 0.83 2.47 -1.04 -4.93 114.94 118.77 2ken s ASN 30 Ca 0.66 -0.08 0.11 0.00 0.42 0.00 0.00 52.86 53.98 2ken s ASN 30 Cb -0.38 -1.49 0.36 0.00 -1.45 0.00 0.00 41.25 38.29 2ken s ASN 30 CO 0.30 0.09 0.85 0.35 -3.72 0.00 0.00 177.10 174.97 2ken n THR 31 N -0.21 -0.01 -1.04 -5.21 -2.24 -1.26 -4.84 114.28 99.47 2ken n THR 31 Ca -0.08 -3.69 0.06 0.00 -2.27 0.00 0.00 64.05 58.07 2ken n THR 31 Cb 0.54 0.24 0.08 0.00 -2.10 0.00 0.00 70.33 69.10 2ken n THR 31 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2ken n HIS 32 N 0.23 0.00 -0.50 4.78 -0.00 -1.26 -4.96 115.22 113.52 2ken n HIS 32 Ca 0.19 -0.69 0.00 0.00 -0.00 0.00 0.00 57.72 57.22 2ken n HIS 32 Cb 0.69 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2ken n HIS 32 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2ken n GLU 33 N -0.95 -0.59 -0.07 1.57 -0.58 -1.26 -4.56 120.64 114.21 2ken n GLU 33 Ca 0.10 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.81 2ken n GLU 33 Cb 0.57 -3.93 -0.05 0.00 -0.57 0.00 0.00 31.44 27.47 2ken n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2ken n SER 34 N -0.03 1.14 -4.65 1.62 2.88 -1.26 -4.88 113.62 108.44 2ken n SER 34 Ca 0.00 0.14 -0.34 0.00 -1.33 0.00 0.00 58.87 57.34 2ken n SER 34 Cb 0.11 -0.37 -0.10 0.00 -0.75 0.00 0.00 64.21 63.10 2ken n SER 34 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ken s ILE 35 N -2.24 4.10 -0.13 2.46 1.01 -1.26 -3.01 121.20 122.13 2ken s ILE 35 Ca -0.18 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 2ken s ILE 35 Cb 0.07 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 2ken s ILE 35 CO 0.24 0.57 0.01 0.28 0.00 0.00 0.00 174.94 176.04 2ken h SER 36 N 5.06 0.00 -5.01 3.58 0.02 -1.18 -3.40 113.55 112.61 2ken h SER 36 Ca -0.50 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.23 2ken h SER 36 Cb 1.18 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.54 2ken h SER 36 CO 0.54 0.73 -0.16 -1.58 -1.14 0.00 0.00 176.83 175.22 2ken s GLN 37 N -1.96 0.81 -0.05 3.45 0.74 -1.22 -2.50 119.66 118.93 2ken s GLN 37 Ca -0.10 -0.23 0.03 0.00 0.05 0.00 0.00 55.36 55.11 2ken s GLN 37 Cb 0.01 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.49 2ken s GLN 37 CO 0.20 -0.25 -0.11 0.08 -0.55 0.00 0.00 175.29 174.65 2ken s VAL 38 N -1.80 1.02 0.00 1.34 1.01 -0.41 -1.97 120.40 119.58 2ken s VAL 38 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2ken s VAL 38 Cb -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2ken s VAL 38 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2ken n GLY 39 N 3.52 2.99 3.08 4.51 0.00 -1.11 0.10 105.19 118.29 2ken n GLY 39 Ca -0.21 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 2ken n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ken s LEU 40 N 0.00 2.34 -0.16 0.99 1.02 -0.98 -2.36 118.68 119.52 2ken s LEU 40 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 54.13 53.41 2ken s LEU 40 Cb 0.00 -0.08 -0.03 0.00 0.02 0.00 0.00 46.19 46.10 2ken s LEU 40 CO 0.00 -0.32 -0.04 -0.76 0.02 0.00 0.00 176.35 175.26 2ken s LEU 41 N -2.07 3.20 -0.68 1.79 1.43 0.03 -3.69 118.68 118.69 2ken s LEU 41 Ca -0.03 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 2ken s LEU 41 Cb -0.04 -1.77 0.10 0.00 0.03 0.00 0.00 46.19 44.50 2ken s LEU 41 CO -0.02 0.14 0.87 -0.83 0.23 0.00 0.00 176.35 176.75 2ken s GLY 42 N 0.50 1.70 0.24 -3.19 0.00 0.19 -2.65 107.32 104.12 2ken s GLY 42 Ca -0.03 -2.24 0.05 0.00 0.00 0.00 0.00 44.72 42.50 2ken s GLY 42 CO 0.03 1.81 0.32 -0.35 0.00 0.00 0.00 173.10 174.90 2ken s ASP 43 N 3.58 6.13 0.27 1.64 2.15 0.11 -2.66 116.67 127.90 2ken s ASP 43 Ca 0.19 -0.00 0.24 0.00 0.43 0.00 0.00 52.55 53.40 2ken s ASP 43 Cb -0.18 -1.75 1.01 0.00 -0.30 0.00 0.00 42.92 41.70 2ken s ASP 43 CO 0.04 -0.06 1.71 -0.62 -0.17 0.00 0.00 175.17 176.08 2ken n GLU 44 N -1.33 0.20 0.00 4.34 1.02 -1.26 -1.89 120.64 121.71 2ken n GLU 44 Ca -0.09 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.61 2ken n GLU 44 Cb 0.57 -1.89 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 2ken n GLU 44 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2ken n THR 45 N -2.26 0.00 0.00 2.62 -2.24 -1.26 -5.06 114.28 106.08 2ken n THR 45 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2ken n THR 45 Cb 0.21 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2ken n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ken n GLY 46 N 1.45 -0.00 3.23 3.38 0.00 -0.79 -4.72 105.19 107.73 2ken n GLY 46 Ca 0.07 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2ken n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ken s ILE 47 N -4.00 0.55 -0.15 -0.61 -5.25 -1.26 -0.71 121.20 109.77 2ken s ILE 47 Ca 0.00 -1.97 -0.24 0.00 -0.99 0.00 0.00 60.65 57.45 2ken s ILE 47 Cb 0.00 -2.18 0.06 0.00 2.95 0.00 0.00 42.46 43.29 2ken s ILE 47 CO 0.00 -0.40 0.61 -0.51 -1.79 0.00 0.00 174.94 172.85 2ken s ILE 48 N -3.75 0.01 -0.13 8.37 2.07 -1.08 -4.95 121.20 121.74 2ken s ILE 48 Ca 0.26 -0.05 -0.17 0.00 -1.41 0.00 0.00 60.65 59.28 2ken s ILE 48 Cb 0.07 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 2ken s ILE 48 CO 0.05 -0.03 0.43 -0.75 -1.91 0.00 0.00 174.94 172.73 2ken s LYS 49 N -0.35 4.31 0.13 3.50 2.20 -1.26 -0.79 119.74 127.49 2ken s LYS 49 Ca -0.05 0.37 0.06 0.00 -0.36 0.00 0.00 55.97 55.99 2ken s LYS 49 Cb -0.03 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2ken s LYS 49 CO 0.04 0.19 -0.15 -0.59 -0.36 0.00 0.00 175.35 174.48 2ken s PHE 50 N 0.55 1.49 -0.05 4.03 -0.71 -1.00 -2.73 117.98 119.56 2ken s PHE 50 Ca 0.24 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 55.60 2ken s PHE 50 Cb -0.15 -0.77 0.02 0.00 -1.21 0.00 0.00 43.02 40.91 2ken s PHE 50 CO 0.09 0.19 -0.09 0.99 -1.34 0.00 0.00 175.22 175.06 2ken s THR 51 N -2.16 0.86 -0.20 -4.49 2.01 -0.66 -2.75 115.64 108.24 2ken s THR 51 Ca 0.11 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 2ken s THR 51 Cb -0.05 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2ken s THR 51 CO 0.04 0.29 0.13 -0.63 -0.69 0.00 0.00 174.62 173.76 2ken s ILE 52 N 0.71 5.40 0.20 1.82 1.01 -0.83 -2.40 121.20 127.11 2ken s ILE 52 Ca -0.12 0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.43 2ken s ILE 52 Cb -0.15 -3.47 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 2ken s ILE 52 CO 0.02 0.43 0.86 0.26 0.00 0.00 0.00 174.94 176.51 2ken s TRP 53 N 0.41 3.95 0.31 3.97 0.52 -1.09 -0.73 118.94 126.28 2ken s TRP 53 Ca 0.08 1.78 -0.01 0.00 0.02 0.00 0.00 56.10 57.97 2ken s TRP 53 Cb -0.11 -2.88 0.50 0.00 -1.15 0.00 0.00 33.47 29.83 2ken s TRP 53 CO -0.01 0.48 1.97 -0.22 0.02 0.00 0.00 176.95 179.19 2ken h LYS 54 N 4.25 1.02 0.00 4.98 3.64 -1.80 0.81 116.57 129.47 2ken h LYS 54 Ca -0.46 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2ken h LYS 54 Cb 1.20 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2ken h LYS 54 CO 0.67 0.67 0.00 0.09 -2.27 0.00 0.00 179.45 178.61 2ken n ASN 55 N -4.43 0.00 0.11 4.20 5.03 -1.26 -0.67 115.26 118.24 2ken n ASN 55 Ca 0.09 0.06 0.05 0.00 0.87 0.00 0.00 54.58 55.65 2ken n ASN 55 Cb 0.05 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ken h ALA 56 N 2.09 0.68 -6.12 5.41 0.00 -1.14 -3.40 119.26 116.77 2ken h ALA 56 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 54.91 54.04 2ken h ALA 56 Cb 0.01 0.06 0.04 0.00 0.00 0.00 0.00 17.79 17.90 2ken h ALA 56 CO 0.00 0.53 -0.82 0.39 0.00 0.00 0.00 179.25 179.35 2ken n GLU 57 N -3.00 -5.03 -4.28 0.00 -0.58 0.15 -4.64 120.64 103.26 2ken n GLU 57 Ca -0.02 0.62 -0.31 0.00 -0.42 0.00 0.00 57.16 57.03 2ken n GLU 57 Cb 0.71 -5.23 -0.09 0.00 -0.57 0.00 0.00 31.44 26.26 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ken s LEU 58 N -6.78 3.33 0.74 -4.62 1.43 -1.26 -5.11 118.68 106.40 2ken s LEU 58 Ca 0.11 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 2ken s LEU 58 Cb -0.06 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.21 2ken s LEU 58 CO 0.81 0.23 1.12 -2.16 0.23 0.00 0.00 176.35 176.59 2ken s PRO 59 N -1.86 2.31 0.44 1.29 0.04 -1.26 -5.00 135.00 130.96 2ken s PRO 59 Ca 0.21 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 2ken s PRO 59 Cb -0.11 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 2ken s PRO 59 CO 0.13 -1.63 1.07 -0.51 0.04 0.00 0.00 177.00 176.10 2ken s LEU 60 N -5.49 4.01 0.43 -3.56 1.43 -1.26 -5.03 118.68 109.22 2ken s LEU 60 Ca 0.66 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.72 2ken s LEU 60 Cb -0.21 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.63 2ken s LEU 60 CO 0.49 -0.70 0.81 -0.76 0.23 0.00 0.00 176.35 176.42 2ken s LEU 61 N -3.01 3.77 -0.14 1.79 1.02 -1.26 -5.07 118.68 115.78 2ken s LEU 61 Ca 0.62 1.19 -0.08 0.00 0.02 0.00 0.00 54.13 55.89 2ken s LEU 61 Cb -0.22 -4.09 -0.04 0.00 0.02 0.00 0.00 46.19 41.86 2ken s LEU 61 CO 0.27 -0.45 0.13 -0.70 0.02 0.00 0.00 176.35 175.62 2ken s GLU 62 N -3.97 3.66 0.27 1.70 2.56 -1.26 -5.07 118.70 116.58 2ken s GLU 62 Ca 0.52 -0.18 -0.29 0.00 0.00 0.00 0.00 54.97 55.02 2ken s GLU 62 Cb -0.10 -3.24 -0.09 0.00 2.00 0.00 0.00 34.13 32.69 2ken s GLU 62 CO 0.33 0.62 1.20 -1.14 -0.56 0.00 0.00 175.26 175.71 2ken s GLN 63 N -0.57 4.50 0.00 4.30 0.74 -1.26 -2.76 119.66 124.61 2ken s GLN 63 Ca 0.12 1.97 0.00 0.00 0.05 0.00 0.00 55.36 57.50 2ken s GLN 63 Cb -0.12 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.83 2ken s GLN 63 CO 0.02 -0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.17 2ken n GLY 64 N 1.36 2.27 3.96 2.59 0.00 -1.03 -5.01 105.19 109.33 2ken n GLY 64 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2ken n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ken s GLU 65 N -0.56 3.45 0.31 1.61 2.02 -1.11 -4.90 118.70 119.52 2ken s GLU 65 Ca 0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 2ken s GLU 65 Cb 0.00 -2.89 -0.07 0.00 0.10 0.00 0.00 34.13 31.27 2ken s GLU 65 CO 0.00 0.43 0.67 -1.12 0.02 0.00 0.00 175.26 175.25 2ken s SER 66 N -3.76 6.63 -0.02 -0.19 0.01 -1.26 -2.97 113.70 112.13 2ken s SER 66 Ca 0.35 1.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.64 2ken s SER 66 Cb -0.10 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2ken s SER 66 CO 0.29 -0.22 0.09 -0.31 0.41 0.00 0.00 173.24 173.51 2ken s TYR 67 N -2.05 -0.02 -0.13 2.43 2.02 -0.19 -2.58 117.35 116.83 2ken s TYR 67 Ca 0.50 0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 57.26 2ken s TYR 67 Cb -0.11 -0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.42 2ken s TYR 67 CO 0.23 -0.13 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.80 2ken s LEU 68 N -0.49 2.78 -0.17 -1.29 2.96 0.15 -2.45 118.68 120.17 2ken s LEU 68 Ca -0.06 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2ken s LEU 68 Cb -0.04 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.02 2ken s LEU 68 CO 0.00 0.16 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.28 2ken s LEU 69 N 0.37 2.41 0.15 -0.68 1.02 0.95 -0.46 118.68 122.43 2ken s LEU 69 Ca -0.10 -0.52 0.10 0.00 0.02 0.00 0.00 54.13 53.62 2ken s LEU 69 Cb -0.16 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 2ken s LEU 69 CO 0.05 0.04 -0.18 -0.13 0.02 0.00 0.00 176.35 176.15 2ken s ARG 70 N 1.08 1.77 -1.17 1.70 0.52 -0.87 -0.61 118.95 121.38 2ken s ARG 70 Ca -0.00 -1.29 -0.05 0.00 -0.52 0.00 0.00 55.73 53.87 2ken s ARG 70 Cb -0.14 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 2ken s ARG 70 CO -0.05 0.45 0.86 0.43 0.02 0.00 0.00 175.30 177.02 2ken n SER 71 N 0.50 -3.91 -4.69 0.23 7.64 -1.24 -1.23 113.62 110.93 2ken n SER 71 Ca -0.14 -0.76 -0.24 0.00 1.01 0.00 0.00 58.87 58.74 2ken n SER 71 Cb 0.54 -4.62 -0.07 0.00 -1.01 0.00 0.00 64.21 59.05 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ken s VAL 72 N -3.47 2.93 0.08 0.44 -7.23 -0.95 -3.35 120.40 108.84 2ken s VAL 72 Ca 0.23 -1.80 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 2ken s VAL 72 Cb -0.05 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 2ken s VAL 72 CO 0.77 -0.20 -0.22 0.54 -0.31 0.00 0.00 175.10 175.68 2ken s VAL 73 N -2.45 1.83 -0.08 1.32 0.11 -1.22 -2.51 120.40 117.40 2ken s VAL 73 Ca 0.36 -1.42 -0.19 0.00 -2.93 0.00 0.00 61.98 57.80 2ken s VAL 73 Cb -0.02 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2ken s VAL 73 CO 0.21 0.12 0.51 -0.69 -3.33 0.00 0.00 175.10 171.93 2ken s VAL 74 N -0.96 5.11 0.08 2.04 1.01 -0.97 -1.97 120.40 124.74 2ken s VAL 74 Ca 0.09 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.14 2ken s VAL 74 Cb -0.10 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2ken s VAL 74 CO 0.03 0.36 0.09 -0.83 0.00 0.00 0.00 175.10 174.75 2ken s GLY 75 N 0.34 2.04 -0.62 4.51 0.00 0.12 -0.07 107.32 113.64 2ken s GLY 75 Ca 0.28 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.80 2ken s GLY 75 CO 0.13 -0.97 0.81 1.85 0.00 0.00 0.00 173.10 174.91 2ken s GLU 76 N -2.39 3.07 -0.53 2.90 -6.30 -1.26 -1.98 118.70 112.21 2ken s GLU 76 Ca 0.30 -1.11 -0.19 0.00 -2.50 0.00 0.00 54.97 51.47 2ken s GLU 76 Cb -0.12 -4.25 0.08 0.00 0.00 0.00 0.00 34.13 29.84 2ken s GLU 76 CO 0.22 -1.64 0.62 -0.47 0.02 0.00 0.00 175.26 174.01 2ken s TYR 77 N 3.23 3.06 0.00 5.30 5.04 -0.24 -4.95 117.35 128.78 2ken s TYR 77 Ca 0.16 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 2ken s TYR 77 Cb -0.21 -3.65 0.00 0.00 0.35 0.00 0.00 41.96 38.45 2ken s TYR 77 CO 0.08 -1.09 0.00 0.09 -1.34 0.00 0.00 175.55 173.29 2ken n ASN 78 N 6.09 0.00 0.04 4.32 3.02 -1.26 0.45 115.26 127.92 2ken n ASN 78 Ca -0.08 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.58 2ken n ASN 78 Cb 0.44 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.52 2ken n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ken n ASP 79 N 3.97 0.37 -4.95 6.41 2.03 -1.26 -4.95 116.55 118.17 2ken n ASP 79 Ca 0.00 0.11 -0.20 0.00 0.52 0.00 0.00 54.79 55.21 2ken n ASP 79 Cb 0.00 1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 41.72 2ken n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2ken s ARG 80 N -3.44 3.18 0.11 -0.67 1.81 0.17 -5.12 118.95 115.00 2ken s ARG 80 Ca -0.04 -0.95 0.03 0.00 -1.72 0.00 0.00 55.73 53.04 2ken s ARG 80 Cb 0.12 -2.78 -0.04 0.00 -0.45 0.00 0.00 34.95 31.80 2ken s ARG 80 CO 0.86 0.25 0.16 -0.06 -0.68 0.00 0.00 175.30 175.82 2ken s PHE 81 N -2.11 3.30 0.05 -0.53 0.08 -1.26 -1.08 117.98 116.43 2ken s PHE 81 Ca 0.39 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.50 2ken s PHE 81 Cb -0.09 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 2ken s PHE 81 CO 0.29 0.53 0.04 -0.65 -0.10 0.00 0.00 175.22 175.33 2ken s GLN 82 N -2.76 0.62 -0.22 0.44 -0.21 -0.84 -4.50 119.66 112.18 2ken s GLN 82 Ca 0.32 -1.01 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 2ken s GLN 82 Cb -0.12 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.09 2ken s GLN 82 CO 0.25 -0.14 0.05 0.08 -2.12 0.00 0.00 175.29 173.41 2ken s VAL 83 N -3.36 4.33 -0.20 1.09 1.01 -1.11 0.16 120.40 122.33 2ken s VAL 83 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2ken s VAL 83 Cb 0.04 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2ken s VAL 83 CO -0.08 0.39 0.06 -1.10 0.00 0.00 0.00 175.10 174.37 2ken s GLN 84 N 1.15 3.85 -0.14 2.72 -0.21 -0.83 -1.65 119.66 124.54 2ken s GLN 84 Ca 0.04 -0.40 -0.10 0.00 0.02 0.00 0.00 55.36 54.92 2ken s GLN 84 Cb -0.14 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.59 2ken s GLN 84 CO 0.03 0.12 0.19 0.08 -2.12 0.00 0.00 175.29 173.58 2ken s VAL 85 N 0.79 5.40 0.00 1.09 1.01 -1.01 -3.46 120.40 124.22 2ken s VAL 85 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2ken s VAL 85 Cb -0.14 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2ken s VAL 85 CO 0.02 0.52 0.00 -0.46 0.00 0.00 0.00 175.10 175.18 2ken n ASN 86 N 2.76 1.07 -0.23 3.32 0.23 -1.26 -2.69 115.26 118.46 2ken n ASN 86 Ca -0.17 -0.86 -0.07 0.00 -0.53 0.00 0.00 54.58 52.95 2ken n ASN 86 Cb 0.53 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.27 2ken n ASN 86 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2ken h LYS 87 N 0.00 1.00 0.00 -3.83 1.57 -1.82 -2.04 116.57 111.45 2ken h LYS 87 Ca 0.00 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2ken h LYS 87 Cb 0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2ken h LYS 87 CO 0.00 0.85 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.82 2ken h ASN 88 N 0.93 0.00 -4.31 0.86 2.35 -1.95 -3.43 115.58 110.04 2ken h ASN 88 Ca 0.21 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.47 2ken h ASN 88 Cb 0.25 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.69 2ken h ASN 88 CO -0.01 0.00 0.37 -0.44 -1.65 0.00 0.00 177.43 175.70 2ken s SER 89 N -5.47 5.59 0.11 5.81 0.01 -0.77 -4.79 113.70 114.19 2ken s SER 89 Ca -0.01 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.34 2ken s SER 89 Cb 0.11 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2ken s SER 89 CO 0.49 -1.22 -0.01 -0.44 0.41 0.00 0.00 173.24 172.47 2ken s SER 90 N -4.32 0.83 -0.02 2.44 0.01 -0.36 -4.82 113.70 107.44 2ken s SER 90 Ca 0.57 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2ken s SER 90 Cb -0.11 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.32 2ken s SER 90 CO 0.51 -0.58 0.01 -0.63 0.41 0.00 0.00 173.24 172.96 2ken s ILE 91 N -3.79 0.06 -0.04 1.44 1.01 -1.26 -2.05 121.20 116.58 2ken s ILE 91 Ca 0.16 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.99 2ken s ILE 91 Cb 0.07 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.36 2ken s ILE 91 CO -0.02 0.12 -0.12 -0.70 0.00 0.00 0.00 174.94 174.22 2ken s GLU 92 N 1.02 1.28 0.26 2.79 2.12 0.39 -4.95 118.70 121.60 2ken s GLU 92 Ca -0.09 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2ken s GLU 92 Cb -0.13 -1.15 -0.09 0.00 0.26 0.00 0.00 34.13 33.02 2ken s GLU 92 CO -0.02 0.13 1.07 0.21 -0.54 0.00 0.00 175.26 176.11 2ken s LYS 93 N 0.23 4.68 0.02 4.30 2.20 -1.26 0.30 119.74 130.21 2ken s LYS 93 Ca -0.05 1.73 -0.12 0.00 -0.36 0.00 0.00 55.97 57.17 2ken s LYS 93 Cb -0.11 -3.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 2ken s LYS 93 CO 0.01 0.26 0.39 -1.17 -0.36 0.00 0.00 175.35 174.48 2ken s LEU 94 N -1.28 4.43 0.00 5.43 1.98 -1.06 -4.85 118.68 123.32 2ken s LEU 94 Ca 0.44 0.87 0.27 0.00 -2.89 0.00 0.00 54.13 52.83 2ken s LEU 94 Cb -0.31 -2.68 0.93 0.00 0.66 0.00 0.00 46.19 44.79 2ken s LEU 94 CO 0.39 0.28 1.70 -0.24 -1.89 0.00 0.00 176.35 176.59 2ken n SER 95 N 1.52 0.30 -4.52 3.68 2.88 -1.26 -4.56 113.62 111.67 2ken n SER 95 Ca -0.12 -0.02 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 2ken n SER 95 Cb 0.53 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.76 2ken n SER 95 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2ken s GLU 96 N -2.90 3.26 0.57 -1.46 2.02 -1.26 -5.11 118.70 113.83 2ken s GLU 96 Ca 0.16 -0.55 -0.16 0.00 0.02 0.00 0.00 54.97 54.43 2ken s GLU 96 Cb 0.19 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 2ken s GLU 96 CO 0.59 0.41 1.05 -1.25 0.02 0.00 0.00 175.26 176.08 2ken s PRO 97 N -0.12 3.44 -0.11 0.39 0.04 -1.26 -4.71 135.00 132.66 2ken s PRO 97 Ca 0.02 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 2ken s PRO 97 Cb -0.13 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2ken s PRO 97 CO 0.03 -0.71 -0.09 0.42 0.04 0.00 0.00 177.00 176.69 2ken s ILE 98 N -2.40 3.47 -0.20 0.56 1.01 -1.26 -5.07 121.20 117.31 2ken s ILE 98 Ca 0.64 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 60.54 2ken s ILE 98 Cb -0.15 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2ken s ILE 98 CO 0.34 0.54 0.70 -0.70 0.00 0.00 0.00 174.94 175.82 2ken s GLU 99 N -0.04 4.22 -0.01 2.79 2.56 -1.26 -4.89 118.70 122.08 2ken s GLU 99 Ca -0.01 0.74 0.12 0.00 0.00 0.00 0.00 54.97 55.82 2ken s GLU 99 Cb -0.14 -3.59 -0.17 0.00 2.00 0.00 0.00 34.13 32.24 2ken s GLU 99 CO 0.03 -0.30 0.37 0.28 -0.56 0.00 0.00 175.26 175.09 2ken n VAL 100 N 4.78 0.00 -3.04 3.70 0.31 -1.26 -4.69 118.33 118.13 2ken n VAL 100 Ca 0.01 -0.26 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 2ken n VAL 100 Cb 0.49 0.55 -0.05 0.00 -0.91 0.00 0.00 33.84 33.92 2ken n VAL 100 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2ken s GLY 101 N -2.88 1.95 -0.50 2.92 0.00 -1.26 -4.99 107.32 102.57 2ken s GLY 101 Ca -0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 2ken s GLY 101 CO 0.51 1.48 0.80 1.08 0.00 0.00 0.00 173.10 176.98 2ken s LEU 102 N 2.24 4.35 0.00 0.66 1.43 -1.26 -4.87 118.68 121.24 2ken s LEU 102 Ca 0.31 -0.38 0.27 0.00 -1.03 0.00 0.00 54.13 53.29 2ken s LEU 102 Cb -0.16 -2.79 1.44 0.00 0.03 0.00 0.00 46.19 44.71 2ken s LEU 102 CO 0.10 -1.02 1.92 -0.62 0.23 0.00 0.00 176.35 176.96 2ken n GLU 103 N 6.87 0.55 -4.08 1.70 1.02 -1.26 -4.88 120.64 120.56 2ken n GLU 103 Ca 0.00 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.85 2ken n GLU 103 Cb 0.47 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 2ken n GLU 103 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ken n HIS 104 N -1.18 -1.83 -0.19 -0.32 8.25 -1.26 -4.82 115.22 113.87 2ken n HIS 104 Ca 0.15 0.81 -0.06 0.00 -0.26 0.00 0.00 57.72 58.35 2ken n HIS 104 Cb 0.17 -3.40 0.03 0.00 1.12 0.00 0.00 29.99 27.91 2ken n HIS 104 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2ken h HIS 105 N -1.72 0.69 -3.63 4.41 2.76 -2.00 -3.45 115.15 112.22 2ken h HIS 105 Ca -0.60 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 57.52 2ken h HIS 105 Cb 1.38 -0.23 -0.12 0.00 1.55 0.00 0.00 27.41 29.99 2ken h HIS 105 CO 0.58 0.43 -0.19 -3.38 -1.30 0.00 0.00 177.93 174.07 2ken s HIS 106 N -6.15 0.11 -0.30 5.26 -3.43 -1.26 -5.08 115.29 104.44 2ken s HIS 106 Ca -0.13 -0.47 0.19 0.00 -0.80 0.00 0.00 55.06 53.84 2ken s HIS 106 Cb 0.13 0.12 0.48 0.00 -1.43 0.00 0.00 32.58 31.88 2ken s HIS 106 CO 0.75 -0.75 1.03 -2.39 -2.00 0.00 0.00 174.74 171.38 2ken n HIS 107 N -0.23 1.38 -0.20 0.38 1.44 -1.26 -4.90 115.22 111.82 2ken n HIS 107 Ca -0.11 -2.55 -0.08 0.00 -2.01 0.00 0.00 57.72 52.98 2ken n HIS 107 Cb 0.63 -0.31 0.02 0.00 0.12 0.00 0.00 29.99 30.46 2ken n HIS 107 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2ken h HIS 108 N 2.80 0.92 0.00 -1.40 6.17 -2.02 -3.56 115.15 118.06 2ken h HIS 108 Ca -0.08 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.92 2ken h HIS 108 Cb 1.21 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.88 2ken h HIS 108 CO 0.53 0.76 0.00 0.72 0.71 0.00 0.00 177.93 180.65