#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ken n GLU 2 N 0.00 -4.40 -1.45 0.03 -0.58 -1.26 -4.89 120.64 108.09 2ken n GLU 2 Ca 0.00 3.36 -0.32 0.00 -0.42 0.00 0.00 57.16 59.79 2ken n GLU 2 Cb 0.00 -4.07 0.07 0.00 -0.57 0.00 0.00 31.44 26.87 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ken s PRO 3 N -4.82 2.46 -0.12 3.49 0.04 -1.26 -4.96 135.00 129.84 2ken s PRO 3 Ca 0.00 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 2ken s PRO 3 Cb 0.00 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2ken s PRO 3 CO 0.00 -1.50 1.41 -0.65 0.04 0.00 0.00 177.00 176.30 2ken s GLN 4 N -4.57 4.22 -0.17 4.56 -0.21 -1.26 -4.99 119.66 117.23 2ken s GLN 4 Ca 0.64 1.87 -0.13 0.00 0.02 0.00 0.00 55.36 57.75 2ken s GLN 4 Cb -0.19 -3.84 -0.05 0.00 1.00 0.00 0.00 33.01 29.94 2ken s GLN 4 CO 0.50 -0.75 0.26 -0.51 -2.12 0.00 0.00 175.29 172.67 2ken s LEU 5 N 3.64 4.23 0.13 2.90 1.43 -1.26 -2.28 118.68 127.47 2ken s LEU 5 Ca 0.62 0.44 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2ken s LEU 5 Cb -0.26 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2ken s LEU 5 CO 0.21 0.11 -0.22 -0.89 0.23 0.00 0.00 176.35 175.78 2ken s THR 6 N 0.48 1.93 0.02 5.49 2.01 -0.98 -4.93 115.64 119.65 2ken s THR 6 Ca 0.15 -1.71 -0.02 0.00 0.31 0.00 0.00 61.69 60.42 2ken s THR 6 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2ken s THR 6 CO 0.03 -0.07 0.20 -0.54 -0.69 0.00 0.00 174.62 173.54 2ken s LYS 7 N -2.17 3.45 0.21 4.92 3.01 -1.26 -4.70 119.74 123.19 2ken s LYS 7 Ca 0.11 -0.35 -0.10 0.00 -1.01 0.00 0.00 55.97 54.62 2ken s LYS 7 Cb -0.09 -3.07 0.19 0.00 -1.01 0.00 0.00 37.83 33.85 2ken s LYS 7 CO 0.06 0.65 1.85 -0.84 0.51 0.00 0.00 175.35 177.58 2ken h ILE 8 N 2.53 1.11 0.00 2.17 3.07 -1.96 0.13 117.51 124.57 2ken h ILE 8 Ca -0.47 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.63 2ken h ILE 8 Cb 1.18 0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 2ken h ILE 8 CO 0.72 0.16 0.00 0.55 -1.05 0.00 0.00 178.15 178.53 2ken n VAL 9 N -4.64 0.96 -0.66 0.16 3.14 -1.26 -1.50 118.33 114.53 2ken n VAL 9 Ca 0.08 0.24 0.09 0.00 -2.96 0.00 0.00 64.34 61.79 2ken n VAL 9 Cb 0.08 -1.04 0.36 0.00 -1.06 0.00 0.00 33.84 32.18 2ken n VAL 9 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2ken n ASP 10 N -1.39 4.84 -4.60 6.55 2.03 0.46 -4.91 116.55 119.53 2ken n ASP 10 Ca 0.04 -2.50 -0.42 0.00 0.52 0.00 0.00 54.79 52.43 2ken n ASP 10 Cb 0.11 -0.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.88 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 -1.94 4.73 0.00 5.18 1.01 -0.56 -4.80 121.20 124.82 2ken s ILE 11 Ca 0.51 1.07 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2ken s ILE 11 Cb 0.34 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2ken s ILE 11 CO 0.24 -0.38 0.10 1.33 0.00 0.00 0.00 174.94 176.23 2ken n VAL 12 N 5.72 0.00 -4.13 2.92 0.24 -1.26 -5.06 118.33 116.76 2ken n VAL 12 Ca 0.04 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.15 2ken n VAL 12 Cb 0.48 1.77 -0.16 0.00 -1.47 0.00 0.00 33.84 34.46 2ken n VAL 12 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ken s GLU 13 N 0.00 0.66 0.24 7.34 2.12 -1.26 -5.15 118.70 122.64 2ken s GLU 13 Ca 0.00 -0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 2ken s GLU 13 Cb 0.00 -0.69 -0.04 0.00 0.26 0.00 0.00 34.13 33.66 2ken s GLU 13 CO 0.00 -0.05 0.44 0.54 -0.54 0.00 0.00 175.26 175.64 2ken s ASN 14 N 0.74 6.38 -0.22 -1.70 2.20 -1.26 -4.27 114.94 116.81 2ken s ASN 14 Ca -0.09 0.44 0.00 0.00 -0.94 0.00 0.00 52.86 52.27 2ken s ASN 14 Cb -0.12 -2.02 0.00 0.00 -2.00 0.00 0.00 41.25 37.10 2ken s ASN 14 CO -0.00 -0.10 0.00 0.61 -2.94 0.00 0.00 177.10 174.66 2ken n GLY 15 N -0.90 0.54 3.92 0.45 0.00 0.22 -4.96 105.19 104.45 2ken n GLY 15 Ca -0.04 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 2ken n GLY 15 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ken s GLN 16 N -2.15 3.32 -0.14 1.61 -2.07 -1.26 -4.83 119.66 114.14 2ken s GLN 16 Ca 0.00 -0.72 -0.04 0.00 -1.82 0.00 0.00 55.36 52.77 2ken s GLN 16 Cb 0.00 -2.86 -0.03 0.00 -1.09 0.00 0.00 33.01 29.02 2ken s GLN 16 CO 0.00 0.48 0.02 -1.58 -1.32 0.00 0.00 175.29 172.89 2ken s TRP 17 N -1.85 3.17 0.26 9.60 0.52 -1.26 -2.70 118.94 126.68 2ken s TRP 17 Ca 0.34 0.04 -0.11 0.00 0.02 0.00 0.00 56.10 56.39 2ken s TRP 17 Cb -0.10 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.33 2ken s TRP 17 CO 0.28 0.25 0.57 0.00 0.02 0.00 0.00 176.95 178.07 2ken n ALA 18 N 2.93 -1.31 -2.78 0.98 0.00 -1.09 -4.96 120.51 114.28 2ken n ALA 18 Ca -0.18 -0.86 -0.31 0.00 0.00 0.00 0.00 53.44 52.09 2ken n ALA 18 Cb 0.53 0.66 -0.16 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.46 3.01 -0.01 0.00 -0.87 -0.97 -1.76 114.94 111.88 2ken s ASN 19 Ca 0.12 -0.50 0.01 0.00 -1.57 0.00 0.00 52.86 50.91 2ken s ASN 19 Cb -0.03 -0.86 0.00 0.00 -0.02 0.00 0.00 41.25 40.34 2ken s ASN 19 CO 0.08 0.23 -0.04 -0.76 -2.57 0.00 0.00 177.10 174.04 2ken s LEU 20 N -0.12 1.86 -0.08 0.60 1.43 -0.78 -2.33 118.68 119.26 2ken s LEU 20 Ca -0.04 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2ken s LEU 20 Cb -0.14 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.83 2ken s LEU 20 CO 0.04 0.03 -0.20 -0.75 0.23 0.00 0.00 176.35 175.69 2ken s LYS 21 N 0.11 2.78 0.07 1.70 2.20 -1.26 -1.83 119.74 123.51 2ken s LYS 21 Ca -0.01 -0.82 -0.26 0.00 -0.36 0.00 0.00 55.97 54.52 2ken s LYS 21 Cb -0.04 -2.32 0.08 0.00 -1.51 0.00 0.00 37.83 34.04 2ken s LYS 21 CO -0.00 0.36 0.70 0.00 -0.36 0.00 0.00 175.35 176.05 2ken s ALA 22 N -0.09 -1.70 0.37 3.13 0.00 -1.06 -4.46 121.76 117.95 2ken s ALA 22 Ca -0.04 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2ken s ALA 22 Cb -0.14 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2ken s ALA 22 CO 0.04 -0.65 0.54 0.21 0.00 0.00 0.00 175.76 175.90 2ken s LYS 23 N -2.99 3.20 -0.68 0.00 2.20 -0.37 -2.52 119.74 118.58 2ken s LYS 23 Ca -0.00 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.75 2ken s LYS 23 Cb -0.01 -2.71 0.12 0.00 -1.51 0.00 0.00 37.83 33.73 2ken s LYS 23 CO -0.07 0.00 0.80 0.08 -0.36 0.00 0.00 175.35 175.80 2ken s VAL 24 N -2.31 4.87 -0.02 4.02 1.01 -1.08 -2.27 120.40 124.61 2ken s VAL 24 Ca 0.44 -1.23 0.11 0.00 0.00 0.00 0.00 61.98 61.30 2ken s VAL 24 Cb -0.10 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 2ken s VAL 24 CO 0.34 -1.20 1.33 0.16 0.00 0.00 0.00 175.10 175.73 2ken h ILE 25 N 5.77 1.27 -2.97 2.22 3.07 -1.86 -2.46 117.51 122.55 2ken h ILE 25 Ca -0.17 -2.81 -0.18 0.00 1.55 0.00 0.00 64.86 63.25 2ken h ILE 25 Cb 1.07 2.62 -0.29 0.00 -0.27 0.00 0.00 36.82 39.95 2ken h ILE 25 CO 1.07 0.72 -0.45 -1.58 -1.05 0.00 0.00 178.15 176.86 2ken s GLN 26 N -2.83 0.24 -0.02 0.16 0.74 -1.16 -4.93 119.66 111.86 2ken s GLN 26 Ca 0.02 0.56 0.06 0.00 0.05 0.00 0.00 55.36 56.05 2ken s GLN 26 Cb 0.09 -0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.08 2ken s GLN 26 CO 0.78 -0.16 -0.19 -1.17 -0.55 0.00 0.00 175.29 174.01 2ken s LEU 27 N 1.23 2.49 -0.13 3.68 2.96 -1.26 -2.23 118.68 125.41 2ken s LEU 27 Ca -0.09 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 2ken s LEU 27 Cb -0.10 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.16 2ken s LEU 27 CO -0.09 0.32 0.34 0.86 -1.32 0.00 0.00 176.35 176.46 2ken s TRP 28 N -0.72 -0.40 0.12 5.38 -0.00 -0.49 -4.98 118.94 117.84 2ken s TRP 28 Ca 0.11 0.95 -0.18 0.00 -0.00 0.00 0.00 56.10 56.99 2ken s TRP 28 Cb -0.10 0.14 -0.07 0.00 -0.00 0.00 0.00 33.47 33.44 2ken s TRP 28 CO 0.01 -0.21 0.59 -1.21 -0.00 0.00 0.00 176.95 176.13 2ken s GLU 29 N 0.50 4.15 -0.07 5.86 2.02 -1.26 -0.79 118.70 129.11 2ken s GLU 29 Ca -0.03 0.69 -0.05 0.00 0.02 0.00 0.00 54.97 55.61 2ken s GLU 29 Cb -0.04 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2ken s GLU 29 CO -0.03 0.54 0.15 1.21 0.02 0.00 0.00 175.26 177.15 2ken s ASN 30 N -1.40 6.29 -0.14 -0.19 3.04 -1.07 -4.76 114.94 116.71 2ken s ASN 30 Ca 0.34 0.39 0.18 0.00 0.04 0.00 0.00 52.86 53.81 2ken s ASN 30 Cb -0.18 -1.99 0.34 0.00 -1.54 0.00 0.00 41.25 37.88 2ken s ASN 30 CO 0.20 0.34 1.21 1.07 -3.04 0.00 0.00 177.10 176.88 2ken n THR 31 N 1.54 1.95 1.51 -5.21 5.66 -1.26 -4.62 114.28 113.85 2ken n THR 31 Ca -0.16 -2.15 0.11 0.00 -3.05 0.00 0.00 64.05 58.80 2ken n THR 31 Cb 0.54 -0.22 0.65 0.00 -1.55 0.00 0.00 70.33 69.75 2ken n THR 31 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2ken n HIS 32 N -1.21 0.00 0.00 1.09 -0.00 -1.26 -4.84 115.22 109.00 2ken n HIS 32 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2ken n HIS 32 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 2ken n HIS 32 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2ken n GLU 33 N -0.95 0.00 0.00 1.57 2.13 -1.26 -4.31 120.64 117.82 2ken n GLU 33 Ca 0.17 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.12 2ken n GLU 33 Cb 0.08 -0.70 0.44 0.00 0.27 0.00 0.00 31.44 31.52 2ken n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2ken n SER 34 N 0.54 0.70 -4.30 4.31 3.41 -1.26 -4.85 113.62 112.17 2ken n SER 34 Ca 0.00 -0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 57.77 2ken n SER 34 Cb 0.00 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 2ken n SER 34 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ken s ILE 35 N -2.61 1.79 -0.19 -1.33 1.01 -1.26 -4.32 121.20 114.29 2ken s ILE 35 Ca 0.23 -1.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.16 2ken s ILE 35 Cb 0.19 -1.61 -0.12 0.00 0.01 0.00 0.00 42.46 40.93 2ken s ILE 35 CO 0.54 -0.02 0.00 -1.20 0.00 0.00 0.00 174.94 174.26 2ken n SER 36 N 1.11 1.85 -3.79 3.58 7.64 -0.44 -4.55 113.62 119.02 2ken n SER 36 Ca -0.19 0.49 -0.07 0.00 1.01 0.00 0.00 58.87 60.11 2ken n SER 36 Cb 0.53 -0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 62.80 2ken n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ken s GLN 37 N -2.35 1.64 0.05 1.43 -2.07 -1.23 -2.61 119.66 114.52 2ken s GLN 37 Ca -0.24 -0.88 -0.09 0.00 -1.82 0.00 0.00 55.36 52.32 2ken s GLN 37 Cb 0.05 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 2ken s GLN 37 CO 0.44 -0.75 0.20 0.08 -1.32 0.00 0.00 175.29 173.94 2ken s VAL 38 N -3.81 0.12 0.00 3.63 1.01 0.03 -2.44 120.40 118.94 2ken s VAL 38 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2ken s VAL 38 Cb -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2ken s VAL 38 CO 0.04 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2ken n GLY 39 N 0.46 0.62 3.17 4.51 0.00 -1.13 -1.40 105.19 111.41 2ken n GLY 39 Ca -0.18 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 2.22 0.02 0.99 1.02 -0.95 -2.58 118.68 119.39 2ken s LEU 40 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.64 2ken s LEU 40 Cb 0.00 -0.60 -0.01 0.00 0.02 0.00 0.00 46.19 45.60 2ken s LEU 40 CO 0.00 -0.00 -0.06 -0.76 0.02 0.00 0.00 176.35 175.55 2ken s LEU 41 N -1.40 2.13 -0.15 1.79 1.02 -0.89 -2.63 118.68 118.55 2ken s LEU 41 Ca 0.01 -0.30 -0.07 0.00 0.02 0.00 0.00 54.13 53.79 2ken s LEU 41 Cb -0.09 -0.18 -0.04 0.00 0.02 0.00 0.00 46.19 45.90 2ken s LEU 41 CO 0.02 -0.07 0.09 -0.83 0.02 0.00 0.00 176.35 175.57 2ken s GLY 42 N -0.80 2.00 0.00 -3.19 0.00 -0.96 -2.05 107.32 102.32 2ken s GLY 42 Ca -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.02 2ken s GLY 42 CO 0.00 -0.19 0.88 1.34 0.00 0.00 0.00 173.10 175.13 2ken n ASP 43 N 2.77 1.91 0.00 1.64 2.03 -1.01 -1.23 116.55 122.66 2ken n ASP 43 Ca -0.18 -1.57 0.00 0.00 0.52 0.00 0.00 54.79 53.56 2ken n ASP 43 Cb 0.53 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2ken n ASP 43 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2ken n GLU 44 N 0.19 0.00 0.00 -0.67 2.13 -1.26 -4.76 120.64 116.27 2ken n GLU 44 Ca 0.04 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.99 2ken n GLU 44 Cb 0.23 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.23 2ken n GLU 44 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2ken n THR 45 N 0.00 0.00 -0.14 6.31 -2.24 -1.26 -4.96 114.28 111.98 2ken n THR 45 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2ken n THR 45 Cb 0.00 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.33 -0.21 3.22 3.38 0.00 -1.26 -4.68 105.19 106.97 2ken n GLY 46 Ca 0.13 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.95 0.95 -0.21 -0.61 -4.36 -1.26 -2.41 121.20 109.34 2ken s ILE 47 Ca 0.00 -2.01 -0.22 0.00 -0.26 0.00 0.00 60.65 58.16 2ken s ILE 47 Cb 0.00 -1.83 0.06 0.00 1.25 0.00 0.00 42.46 41.94 2ken s ILE 47 CO 0.00 -0.75 0.61 -0.51 0.24 0.00 0.00 174.94 174.53 2ken s ILE 48 N -3.47 0.00 -0.06 8.37 1.10 -0.87 -4.98 121.20 121.29 2ken s ILE 48 Ca 0.16 -0.01 -0.20 0.00 -0.51 0.00 0.00 60.65 60.09 2ken s ILE 48 Cb 0.04 -0.86 -0.05 0.00 0.15 0.00 0.00 42.46 41.74 2ken s ILE 48 CO -0.01 -0.01 0.55 -0.75 -2.11 0.00 0.00 174.94 172.62 2ken s LYS 49 N 0.16 4.33 0.15 3.50 2.20 -1.26 -2.09 119.74 126.73 2ken s LYS 49 Ca -0.01 0.62 0.08 0.00 -0.36 0.00 0.00 55.97 56.30 2ken s LYS 49 Cb -0.04 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2ken s LYS 49 CO 0.02 0.24 -0.19 -0.59 -0.36 0.00 0.00 175.35 174.47 2ken s PHE 50 N 0.29 1.81 -0.04 4.03 -0.71 -1.07 -2.88 117.98 119.41 2ken s PHE 50 Ca 0.30 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.75 2ken s PHE 50 Cb -0.17 -0.92 0.01 0.00 -1.21 0.00 0.00 43.02 40.73 2ken s PHE 50 CO 0.14 0.31 -0.08 0.99 -1.34 0.00 0.00 175.22 175.24 2ken s THR 51 N -1.90 0.77 -0.26 -4.49 2.01 -0.75 -2.83 115.64 108.20 2ken s THR 51 Ca 0.14 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 2ken s THR 51 Cb -0.06 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2ken s THR 51 CO 0.06 0.26 0.16 -0.63 -0.69 0.00 0.00 174.62 173.78 2ken s ILE 52 N 0.45 5.22 0.41 1.82 1.01 -1.02 -1.98 121.20 127.12 2ken s ILE 52 Ca -0.07 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 2ken s ILE 52 Cb -0.11 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 38.79 2ken s ILE 52 CO 0.01 0.30 0.93 0.26 0.00 0.00 0.00 174.94 176.45 2ken s TRP 53 N 1.41 3.34 0.32 3.97 0.52 -1.12 -1.32 118.94 126.06 2ken s TRP 53 Ca 0.07 1.60 0.04 0.00 0.02 0.00 0.00 56.10 57.82 2ken s TRP 53 Cb -0.15 -2.83 0.56 0.00 -1.15 0.00 0.00 33.47 29.90 2ken s TRP 53 CO 0.07 -0.07 1.85 0.87 0.02 0.00 0.00 176.95 179.69 2ken h LYS 54 N 2.03 0.55 -0.00 4.98 1.57 -1.88 -1.94 116.57 121.87 2ken h LYS 54 Ca -0.49 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2ken h LYS 54 Cb 1.18 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2ken h LYS 54 CO 0.62 0.59 0.02 -0.91 -0.57 0.00 0.00 179.45 179.19 2ken h ASN 55 N 0.52 0.00 1.20 0.86 -0.26 -1.92 0.27 115.58 116.25 2ken h ASN 55 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2ken h ASN 55 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 2ken h ASN 55 CO 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.39 2ken h ALA 56 N 1.97 1.00 -6.85 -0.83 0.00 -1.63 -3.40 119.26 109.52 2ken h ALA 56 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2ken h ALA 56 Cb 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.63 2ken h ALA 56 CO -0.00 0.00 -0.90 0.39 0.00 0.00 0.00 179.25 178.74 2ken n GLU 57 N -2.61 -2.17 -3.91 0.00 1.02 0.96 -4.50 120.64 109.43 2ken n GLU 57 Ca 0.03 0.26 -0.30 0.00 -0.02 0.00 0.00 57.16 57.13 2ken n GLU 57 Cb 0.35 -4.46 -0.04 0.00 -0.02 0.00 0.00 31.44 27.27 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ken s LEU 58 N -7.22 4.35 0.82 -4.62 1.43 -1.26 -5.09 118.68 107.09 2ken s LEU 58 Ca 0.35 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 2ken s LEU 58 Cb -0.20 -2.97 0.08 0.00 0.03 0.00 0.00 46.19 43.14 2ken s LEU 58 CO 0.95 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 176.62 2ken s PRO 59 N -2.66 1.87 0.21 1.29 0.04 -1.26 -4.97 135.00 129.53 2ken s PRO 59 Ca 0.35 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 2ken s PRO 59 Cb -0.13 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2ken s PRO 59 CO 0.28 -1.92 1.29 -0.51 0.04 0.00 0.00 177.00 176.18 2ken s LEU 60 N -6.10 4.42 0.37 -3.56 1.43 -1.26 -4.99 118.68 109.00 2ken s LEU 60 Ca 0.62 2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.88 2ken s LEU 60 Cb -0.18 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 2ken s LEU 60 CO 0.57 -0.50 0.99 -0.76 0.23 0.00 0.00 176.35 176.87 2ken s LEU 61 N -0.25 4.18 -0.04 1.79 1.02 -1.26 -5.02 118.68 119.11 2ken s LEU 61 Ca 0.56 1.89 -0.23 0.00 0.02 0.00 0.00 54.13 56.36 2ken s LEU 61 Cb -0.36 -4.18 -0.04 0.00 0.02 0.00 0.00 46.19 41.62 2ken s LEU 61 CO 0.39 -0.30 0.71 -0.70 0.02 0.00 0.00 176.35 176.47 2ken s GLU 62 N -2.45 4.44 0.20 1.70 2.56 -1.26 -5.03 118.70 118.86 2ken s GLU 62 Ca 0.55 0.90 -0.30 0.00 0.00 0.00 0.00 54.97 56.13 2ken s GLU 62 Cb -0.18 -3.43 -0.08 0.00 2.00 0.00 0.00 34.13 32.44 2ken s GLU 62 CO 0.23 0.12 1.18 -1.14 -0.56 0.00 0.00 175.26 175.09 2ken s GLN 63 N 0.59 4.52 0.00 4.30 0.74 -1.26 -2.99 119.66 125.55 2ken s GLN 63 Ca 0.37 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.64 2ken s GLN 63 Cb -0.18 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.69 2ken s GLN 63 CO 0.19 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.30 2ken n GLY 64 N 2.02 0.75 3.61 2.59 0.00 -0.93 -5.01 105.19 108.22 2ken n GLY 64 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.44 2.19 0.17 1.61 0.41 -1.16 -4.87 118.70 116.61 2ken s GLU 65 Ca 0.00 -1.36 -0.22 0.00 -0.41 0.00 0.00 54.97 52.99 2ken s GLU 65 Cb 0.00 -2.16 -0.08 0.00 -1.78 0.00 0.00 34.13 30.12 2ken s GLU 65 CO 0.00 0.40 0.71 -1.12 -0.49 0.00 0.00 175.26 174.75 2ken s SER 66 N -3.30 7.19 0.01 -0.19 0.01 -1.26 -2.64 113.70 113.52 2ken s SER 66 Ca 0.29 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.02 2ken s SER 66 Cb -0.07 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2ken s SER 66 CO 0.18 0.16 -0.03 -0.31 0.41 0.00 0.00 173.24 173.65 2ken s TYR 67 N -1.29 0.24 -0.16 2.43 2.02 -1.05 -2.69 117.35 116.86 2ken s TYR 67 Ca 0.37 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.77 2ken s TYR 67 Cb -0.20 -0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2ken s TYR 67 CO 0.23 -0.08 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.88 2ken s LEU 68 N -0.76 2.99 -0.24 -1.29 2.96 -0.40 -2.55 118.68 119.39 2ken s LEU 68 Ca -0.07 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2ken s LEU 68 Cb -0.05 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2ken s LEU 68 CO -0.00 0.14 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.33 2ken s LEU 69 N 0.53 3.02 -0.03 -0.68 1.02 -0.76 -1.93 118.68 119.84 2ken s LEU 69 Ca -0.05 -0.79 0.01 0.00 0.02 0.00 0.00 54.13 53.31 2ken s LEU 69 Cb -0.15 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 2ken s LEU 69 CO 0.03 -0.10 -0.02 -0.13 0.02 0.00 0.00 176.35 176.15 2ken s ARG 70 N 1.33 2.77 -1.06 1.70 0.52 -1.08 -1.87 118.95 121.27 2ken s ARG 70 Ca 0.01 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2ken s ARG 70 Cb -0.16 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 2ken s ARG 70 CO -0.05 0.64 0.91 -1.13 0.02 0.00 0.00 175.30 175.69 2ken n SER 71 N 1.68 -5.41 -4.95 0.23 3.41 -1.18 -2.50 113.62 104.90 2ken n SER 71 Ca -0.16 -0.67 -0.23 0.00 -0.26 0.00 0.00 58.87 57.55 2ken n SER 71 Cb 0.53 -5.06 -0.03 0.00 -0.26 0.00 0.00 64.21 59.39 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2ken s VAL 72 N -3.37 5.23 -0.07 -3.33 -7.23 -0.72 -4.09 120.40 106.82 2ken s VAL 72 Ca 0.34 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2ken s VAL 72 Cb -0.04 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.11 2ken s VAL 72 CO 0.72 -0.23 -0.24 0.54 -0.31 0.00 0.00 175.10 175.58 2ken s VAL 73 N -1.88 2.13 0.01 1.32 0.11 -1.24 -2.68 120.40 118.17 2ken s VAL 73 Ca 0.34 -1.03 -0.20 0.00 -2.93 0.00 0.00 61.98 58.16 2ken s VAL 73 Cb -0.10 -1.78 -0.06 0.00 -1.53 0.00 0.00 36.38 32.91 2ken s VAL 73 CO 0.28 0.57 0.58 -0.69 -3.33 0.00 0.00 175.10 172.52 2ken s VAL 74 N -0.08 4.89 0.03 2.04 1.01 -1.10 -2.52 120.40 124.67 2ken s VAL 74 Ca -0.06 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2ken s VAL 74 Cb -0.14 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ken s VAL 74 CO 0.05 0.44 -0.01 -0.83 0.00 0.00 0.00 175.10 174.74 2ken s GLY 75 N -0.35 1.87 -0.63 4.51 0.00 -0.54 0.70 107.32 112.88 2ken s GLY 75 Ca 0.30 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 2ken s GLY 75 CO 0.17 -0.93 1.10 1.85 0.00 0.00 0.00 173.10 175.29 2ken s GLU 76 N -1.81 3.31 -0.65 2.90 2.12 -1.26 -2.44 118.70 120.87 2ken s GLU 76 Ca 0.21 -0.22 -0.16 0.00 0.36 0.00 0.00 54.97 55.16 2ken s GLU 76 Cb -0.11 -4.11 0.14 0.00 0.26 0.00 0.00 34.13 30.31 2ken s GLU 76 CO 0.13 -1.77 0.66 -0.47 -0.54 0.00 0.00 175.26 173.26 2ken s TYR 77 N 4.72 3.30 0.00 5.30 5.04 -0.42 -4.97 117.35 130.31 2ken s TYR 77 Ca 0.34 -1.38 0.00 0.00 -2.44 0.00 0.00 57.07 53.59 2ken s TYR 77 Cb -0.11 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.31 2ken s TYR 77 CO 0.18 -1.12 0.00 0.09 -1.34 0.00 0.00 175.55 173.37 2ken n ASN 78 N 5.31 0.00 0.01 4.32 3.02 -1.26 0.05 115.26 126.71 2ken n ASN 78 Ca -0.04 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 2ken n ASN 78 Cb 0.43 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.78 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ken n ASP 79 N 4.50 0.58 -4.70 6.41 8.00 -1.26 -4.91 116.55 125.17 2ken n ASP 79 Ca 0.00 -0.27 -0.23 0.00 0.71 0.00 0.00 54.79 55.01 2ken n ASP 79 Cb 0.00 0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2ken n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ken s ARG 80 N -3.05 2.45 0.14 -1.24 0.52 0.11 -5.13 118.95 112.75 2ken s ARG 80 Ca 0.09 -1.37 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2ken s ARG 80 Cb 0.16 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2ken s ARG 80 CO 0.73 0.32 0.29 -0.06 0.02 0.00 0.00 175.30 176.60 2ken s PHE 81 N -2.31 3.49 0.03 -0.53 0.08 -1.26 -1.31 117.98 116.18 2ken s PHE 81 Ca 0.33 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.56 2ken s PHE 81 Cb -0.06 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2ken s PHE 81 CO 0.22 0.51 -0.02 -0.65 -0.10 0.00 0.00 175.22 175.17 2ken s GLN 82 N -3.11 0.44 -0.34 0.44 -1.52 -1.02 -4.82 119.66 109.73 2ken s GLN 82 Ca 0.35 -0.84 -0.11 0.00 -1.95 0.00 0.00 55.36 52.82 2ken s GLN 82 Cb -0.11 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 32.83 2ken s GLN 82 CO 0.28 -0.08 0.18 0.08 -0.25 0.00 0.00 175.29 175.51 2ken s VAL 83 N -2.43 4.69 -0.14 1.09 1.01 -1.14 -1.47 120.40 122.01 2ken s VAL 83 Ca -0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2ken s VAL 83 Cb -0.03 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2ken s VAL 83 CO -0.04 -0.04 0.08 -1.10 0.00 0.00 0.00 175.10 173.99 2ken s GLN 84 N 1.61 3.63 -0.19 2.72 1.11 -1.05 -1.80 119.66 125.69 2ken s GLN 84 Ca 0.04 -0.29 -0.08 0.00 0.01 0.00 0.00 55.36 55.04 2ken s GLN 84 Cb -0.18 -3.13 -0.04 0.00 -1.01 0.00 0.00 33.01 28.65 2ken s GLN 84 CO 0.07 0.51 0.08 0.08 0.01 0.00 0.00 175.29 176.04 2ken s VAL 85 N -0.30 4.92 0.23 1.09 1.01 -0.84 -3.65 120.40 122.86 2ken s VAL 85 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2ken s VAL 85 Cb -0.12 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 2ken s VAL 85 CO 0.01 0.45 0.01 -0.46 0.00 0.00 0.00 175.10 175.11 2ken n ASN 86 N 3.61 2.44 -0.27 3.32 0.23 -1.26 -2.80 115.26 120.53 2ken n ASN 86 Ca -0.16 -2.01 -0.05 0.00 -0.53 0.00 0.00 54.58 51.82 2ken n ASN 86 Cb 0.52 0.20 0.06 0.00 -2.08 0.00 0.00 39.78 38.48 2ken n ASN 86 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2ken h LYS 87 N 0.00 1.05 0.00 -3.83 3.64 -1.79 -0.75 116.57 114.89 2ken h LYS 87 Ca -0.19 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2ken h LYS 87 Cb 0.58 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2ken h LYS 87 CO 0.31 0.79 0.00 0.09 -2.27 0.00 0.00 179.45 178.36 2ken n ASN 88 N -4.45 0.00 -4.92 4.20 3.02 -1.26 -4.68 115.26 107.17 2ken n ASN 88 Ca 0.07 -0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 2ken n ASN 88 Cb 0.10 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2ken n ASN 88 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ken s SER 89 N -2.25 6.12 0.07 6.41 0.01 -0.29 -4.81 113.70 118.96 2ken s SER 89 Ca 0.11 0.69 0.04 0.00 1.31 0.00 0.00 55.95 58.09 2ken s SER 89 Cb 0.06 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 2ken s SER 89 CO 0.11 -0.59 -0.11 -0.55 0.41 0.00 0.00 173.24 172.52 2ken s SER 90 N -4.13 1.37 -0.04 2.44 0.15 -1.04 -4.92 113.70 107.53 2ken s SER 90 Ca 0.46 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2ken s SER 90 Cb -0.10 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.23 2ken s SER 90 CO 0.42 -0.18 -0.02 -0.63 1.20 0.00 0.00 173.24 174.03 2ken s ILE 91 N -1.71 0.36 -0.03 6.45 1.01 -1.26 -2.62 121.20 123.40 2ken s ILE 91 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2ken s ILE 91 Cb -0.07 -0.43 -0.00 0.00 0.01 0.00 0.00 42.46 41.96 2ken s ILE 91 CO 0.01 0.20 -0.13 -1.61 0.00 0.00 0.00 174.94 173.41 2ken s GLU 92 N 1.11 1.31 -0.00 2.79 2.02 -0.81 -4.94 118.70 120.17 2ken s GLU 92 Ca -0.08 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2ken s GLU 92 Cb -0.14 -1.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 2ken s GLU 92 CO -0.01 0.18 1.00 0.21 0.02 0.00 0.00 175.26 176.65 2ken s LYS 93 N 0.09 4.54 -0.14 1.61 2.20 -1.26 -1.27 119.74 125.51 2ken s LYS 93 Ca -0.03 1.44 -0.05 0.00 -0.36 0.00 0.00 55.97 56.97 2ken s LYS 93 Cb -0.10 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2ken s LYS 93 CO 0.01 -0.08 0.05 -0.51 -0.36 0.00 0.00 175.35 174.47 2ken s LEU 94 N 1.06 3.82 0.00 5.43 2.01 -1.10 -4.96 118.68 124.94 2ken s LEU 94 Ca 0.52 0.16 0.30 0.00 0.01 0.00 0.00 54.13 55.12 2ken s LEU 94 Cb -0.21 -1.93 1.55 0.00 0.01 0.00 0.00 46.19 45.61 2ken s LEU 94 CO 0.28 0.28 2.05 -1.20 1.01 0.00 0.00 176.35 178.76 2ken n SER 95 N 2.84 0.22 -4.65 2.29 7.64 -1.26 -4.44 113.62 116.25 2ken n SER 95 Ca -0.18 -0.63 -0.39 0.00 1.01 0.00 0.00 58.87 58.67 2ken n SER 95 Cb 0.53 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2ken s GLU 96 N -2.31 4.16 0.30 1.43 2.12 -1.26 -5.05 118.70 118.08 2ken s GLU 96 Ca 0.36 0.40 -0.28 0.00 0.36 0.00 0.00 54.97 55.81 2ken s GLU 96 Cb 0.21 -3.59 -0.09 0.00 0.26 0.00 0.00 34.13 30.92 2ken s GLU 96 CO 0.43 -0.21 1.04 -1.25 -0.54 0.00 0.00 175.26 174.73 2ken s PRO 97 N 1.83 4.57 -0.04 4.30 0.04 -1.26 -4.84 135.00 139.60 2ken s PRO 97 Ca 0.23 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.93 2ken s PRO 97 Cb -0.15 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2ken s PRO 97 CO 0.09 0.20 -0.10 0.42 0.04 0.00 0.00 177.00 177.66 2ken s ILE 98 N -1.33 3.44 0.00 0.56 1.01 -1.26 -5.07 121.20 118.56 2ken s ILE 98 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2ken s ILE 98 Cb -0.27 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2ken s ILE 98 CO 0.34 0.52 0.27 -1.84 0.00 0.00 0.00 174.94 174.24 2ken n GLU 99 N 2.01 0.00 -3.22 2.79 0.00 -1.26 -4.59 120.64 116.37 2ken n GLU 99 Ca -0.17 0.16 -0.23 0.00 0.00 0.00 0.00 57.16 56.92 2ken n GLU 99 Cb 0.53 -0.77 -0.04 0.00 0.00 0.00 0.00 31.44 31.15 2ken n GLU 99 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2ken n VAL 100 N -0.43 0.00 -1.33 3.84 0.24 -1.26 -1.67 118.33 117.71 2ken n VAL 100 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2ken n VAL 100 Cb 0.00 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 2ken n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ken n GLY 101 N -0.78 -0.47 3.33 7.63 0.00 -1.26 -4.88 105.19 108.76 2ken n GLY 101 Ca 0.07 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2ken n GLY 101 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ken s LEU 102 N -1.06 4.38 0.00 0.99 0.20 -0.67 -4.96 118.68 117.55 2ken s LEU 102 Ca 0.00 -1.00 0.00 0.00 0.69 0.00 0.00 54.13 53.82 2ken s LEU 102 Cb 0.00 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.83 2ken s LEU 102 CO 0.00 -0.32 0.00 1.21 -0.29 0.00 0.00 176.35 176.95 2ken n GLU 103 N 4.89 0.00 -0.75 1.98 2.13 -1.26 -4.62 120.64 123.01 2ken n GLU 103 Ca -0.13 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.66 2ken n GLU 103 Cb 0.46 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.15 2ken n GLU 103 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2ken n HIS 104 N 0.00 -0.16 -0.34 4.31 -0.00 -1.26 -4.72 115.22 113.05 2ken n HIS 104 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2ken n HIS 104 Cb 0.00 -1.56 0.09 0.00 -0.12 0.00 0.00 29.99 28.41 2ken n HIS 104 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2ken h HIS 105 N 0.00 1.15 -3.84 1.57 3.86 -2.02 -3.43 115.15 112.44 2ken h HIS 105 Ca -0.07 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 58.91 2ken h HIS 105 Cb 0.55 -0.39 -0.26 0.00 1.06 0.00 0.00 27.41 28.37 2ken h HIS 105 CO 0.30 0.72 -0.73 -1.01 0.86 0.00 0.00 177.93 178.07 2ken s HIS 106 N -6.12 0.25 0.14 2.45 3.76 -1.26 -5.05 115.29 109.46 2ken s HIS 106 Ca -0.13 -0.15 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 2ken s HIS 106 Cb 0.17 -0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.70 2ken s HIS 106 CO 0.80 -0.04 1.62 1.25 -0.85 0.00 0.00 174.74 177.53 2ken h HIS 107 N 5.74 0.77 0.00 1.40 2.76 -2.01 -3.41 115.15 120.40 2ken h HIS 107 Ca -0.28 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 2ken h HIS 107 Cb 1.20 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.95 2ken h HIS 107 CO 0.47 0.73 0.00 1.58 -1.30 0.00 0.00 177.93 179.41 2ken n HIS 108 N -4.48 0.00 -0.70 5.26 -0.00 -1.26 -5.14 115.22 108.90 2ken n HIS 108 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2ken n HIS 108 Cb 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2ken n HIS 108 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38