#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 0.49 -1.83 2.12 -0.58 -1.26 -5.12 120.64 114.46 2ken n GLU 2 Ca 0.00 -3.19 -0.37 0.00 -0.42 0.00 0.00 57.16 53.17 2ken n GLU 2 Cb 0.00 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 29.52 2ken n GLU 2 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2ken s PRO 3 N -0.66 2.88 -0.33 3.49 0.02 -1.26 -4.94 135.00 134.21 2ken s PRO 3 Ca 0.34 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 2ken s PRO 3 Cb 0.12 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.62 2ken s PRO 3 CO -0.15 -1.34 1.13 1.14 -0.33 0.00 0.00 177.00 177.46 2ken s GLN 4 N -3.17 4.00 -0.13 5.54 -2.07 -1.26 -5.00 119.66 117.57 2ken s GLN 4 Ca 0.77 1.06 -0.23 0.00 -1.82 0.00 0.00 55.36 55.14 2ken s GLN 4 Cb -0.37 -3.79 -0.03 0.00 -1.09 0.00 0.00 33.01 27.73 2ken s GLN 4 CO 0.41 -1.00 0.70 -0.51 -1.32 0.00 0.00 175.29 173.57 2ken s LEU 5 N 3.90 4.23 -0.04 2.60 1.43 -1.26 -1.98 118.68 127.56 2ken s LEU 5 Ca 0.48 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.72 2ken s LEU 5 Cb -0.13 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 2ken s LEU 5 CO 0.19 -0.22 -0.24 -0.89 0.23 0.00 0.00 176.35 175.41 2ken s THR 6 N 1.43 1.97 0.10 5.49 2.01 -1.01 -4.96 115.64 120.68 2ken s THR 6 Ca 0.35 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2ken s THR 6 Cb -0.17 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 2ken s THR 6 CO 0.14 0.55 0.35 -0.54 -0.69 0.00 0.00 174.62 174.43 2ken s LYS 7 N -0.28 3.62 0.23 4.92 1.02 -1.26 -4.76 119.74 123.22 2ken s LYS 7 Ca 0.01 -0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.85 2ken s LYS 7 Cb -0.12 -2.93 0.35 0.00 -0.52 0.00 0.00 37.83 34.61 2ken s LYS 7 CO 0.02 0.52 1.80 0.82 -0.92 0.00 0.00 175.35 177.59 2ken h ILE 8 N 2.33 0.89 0.00 2.17 2.04 -1.96 0.52 117.51 123.50 2ken h ILE 8 Ca -0.47 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2ken h ILE 8 Cb 1.17 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2ken h ILE 8 CO 0.71 0.13 0.00 0.55 0.00 0.00 0.00 178.15 179.54 2ken n VAL 9 N -4.80 0.95 0.63 1.67 3.14 -1.26 -1.64 118.33 117.02 2ken n VAL 9 Ca 0.12 0.31 0.11 0.00 -2.96 0.00 0.00 64.34 61.92 2ken n VAL 9 Cb 0.26 -1.21 0.27 0.00 -1.06 0.00 0.00 33.84 32.10 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 -2.04 2.77 0.00 6.55 2.03 0.18 -4.54 116.55 121.50 2ken n ASP 10 Ca 0.02 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.43 2ken n ASP 10 Cb 0.18 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2ken n ASP 10 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ken n ILE 11 N 1.04 0.00 0.00 5.18 2.08 -0.65 -4.68 119.36 122.32 2ken n ILE 11 Ca 0.18 1.39 0.00 0.00 0.56 0.00 0.00 62.75 64.88 2ken n ILE 11 Cb 0.49 -2.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 2ken n ILE 11 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2ken n VAL 12 N -1.85 0.00 -3.84 1.39 0.31 -1.26 -4.74 118.33 108.34 2ken n VAL 12 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2ken n VAL 12 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2ken n VAL 12 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2ken s GLU 13 N 0.00 0.45 0.47 5.55 2.56 -1.26 -5.17 118.70 121.30 2ken s GLU 13 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.97 54.84 2ken s GLU 13 Cb 0.00 0.19 0.03 0.00 2.00 0.00 0.00 34.13 36.35 2ken s GLU 13 CO 0.00 -0.10 0.60 0.54 -0.56 0.00 0.00 175.26 175.74 2ken s ASN 14 N -1.03 5.35 -0.81 -1.70 2.20 -1.26 -4.53 114.94 113.16 2ken s ASN 14 Ca -0.11 -0.64 0.00 0.00 -0.94 0.00 0.00 52.86 51.17 2ken s ASN 14 Cb -0.06 -0.29 0.00 0.00 -2.00 0.00 0.00 41.25 38.90 2ken s ASN 14 CO 0.02 -0.94 0.00 0.61 -2.94 0.00 0.00 177.10 173.84 2ken n GLY 15 N -1.93 0.82 3.90 0.45 0.00 0.20 -4.93 105.19 103.69 2ken n GLY 15 Ca 0.09 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2ken n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ken s GLN 16 N -2.99 3.47 -0.19 1.61 -0.21 -1.26 -4.73 119.66 115.36 2ken s GLN 16 Ca 0.00 -0.26 -0.16 0.00 0.02 0.00 0.00 55.36 54.96 2ken s GLN 16 Cb 0.00 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 2ken s GLN 16 CO 0.00 0.67 0.40 -1.58 -2.12 0.00 0.00 175.29 172.66 2ken s TRP 17 N -1.32 3.39 0.00 0.91 0.52 -1.26 -2.31 118.94 118.87 2ken s TRP 17 Ca 0.27 0.64 0.00 0.00 0.02 0.00 0.00 56.10 57.03 2ken s TRP 17 Cb -0.13 -2.51 0.00 0.00 -1.15 0.00 0.00 33.47 29.68 2ken s TRP 17 CO 0.18 0.02 0.00 0.00 0.02 0.00 0.00 176.95 177.17 2ken n ALA 18 N 4.34 0.00 -2.52 0.98 0.00 -1.01 -4.99 120.51 117.31 2ken n ALA 18 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 2ken n ALA 18 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.00 2.23 -0.04 0.00 0.02 -0.84 -2.19 114.94 113.12 2ken s ASN 19 Ca 0.00 -0.47 0.01 0.00 -1.02 0.00 0.00 52.86 51.39 2ken s ASN 19 Cb 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 41.25 41.10 2ken s ASN 19 CO 0.00 0.15 -0.06 -0.22 0.02 0.00 0.00 177.10 176.99 2ken s LEU 20 N -1.01 1.44 -0.11 0.60 2.96 -0.86 -2.39 118.68 119.30 2ken s LEU 20 Ca 0.06 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2ken s LEU 20 Cb -0.08 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 2ken s LEU 20 CO 0.01 -0.03 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.10 2ken s LYS 21 N 0.76 3.21 0.04 1.98 2.20 -1.26 -1.77 119.74 124.90 2ken s LYS 21 Ca -0.11 -0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 54.66 2ken s LYS 21 Cb -0.14 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.71 2ken s LYS 21 CO 0.01 0.23 0.42 0.00 -0.36 0.00 0.00 175.35 175.65 2ken n ALA 22 N 3.44 -1.15 -2.53 3.13 0.00 -1.10 -4.94 120.51 117.36 2ken n ALA 22 Ca -0.18 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 2ken n ALA 22 Cb 0.53 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 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 2.04 -0.20 0.00 2.20 -1.11 -1.49 119.74 119.17 2ken s LYS 23 Ca 0.10 -1.05 -0.20 0.00 -0.36 0.00 0.00 55.97 54.46 2ken s LYS 23 Cb -0.01 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2ken s LYS 23 CO 0.01 0.51 0.59 0.08 -0.36 0.00 0.00 175.35 176.18 2ken s VAL 24 N -1.14 5.05 -0.26 4.02 1.01 -1.13 0.14 120.40 128.08 2ken s VAL 24 Ca 0.19 1.10 0.23 0.00 0.00 0.00 0.00 61.98 63.50 2ken s VAL 24 Cb -0.11 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.41 2ken s VAL 24 CO 0.11 0.13 1.13 0.16 0.00 0.00 0.00 175.10 176.63 2ken h ILE 25 N 5.16 0.01 -2.12 2.22 3.07 -1.88 0.39 117.51 124.35 2ken h ILE 25 Ca -0.32 -1.01 0.04 0.00 1.55 0.00 0.00 64.86 65.12 2ken h ILE 25 Cb 1.15 1.58 -0.18 0.00 -0.27 0.00 0.00 36.82 39.10 2ken h ILE 25 CO 0.76 0.00 0.40 -1.58 -1.05 0.00 0.00 178.15 176.68 2ken s GLN 26 N -3.34 0.88 0.13 0.16 0.74 -1.26 -4.78 119.66 112.20 2ken s GLN 26 Ca 0.01 -0.07 0.09 0.00 0.05 0.00 0.00 55.36 55.43 2ken s GLN 26 Cb 0.09 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.57 2ken s GLN 26 CO 0.77 -0.33 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.46 2ken s LEU 27 N -1.83 2.36 -0.24 3.68 1.43 -1.26 -2.73 118.68 120.09 2ken s LEU 27 Ca -0.01 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 2ken s LEU 27 Cb -0.01 -0.91 0.08 0.00 0.03 0.00 0.00 46.19 45.39 2ken s LEU 27 CO -0.02 0.04 0.09 0.26 0.23 0.00 0.00 176.35 176.95 2ken s TRP 28 N -1.50 0.69 -0.04 0.29 0.52 0.34 -4.92 118.94 114.33 2ken s TRP 28 Ca 0.11 -0.88 -0.22 0.00 0.02 0.00 0.00 56.10 55.13 2ken s TRP 28 Cb -0.08 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 2ken s TRP 28 CO 0.06 -0.70 0.65 -1.21 0.02 0.00 0.00 176.95 175.76 2ken s GLU 29 N 1.97 4.40 -0.09 4.98 2.02 -1.26 0.29 118.70 131.01 2ken s GLU 29 Ca 0.05 0.80 0.06 0.00 0.02 0.00 0.00 54.97 55.90 2ken s GLU 29 Cb -0.16 -3.41 -0.10 0.00 0.10 0.00 0.00 34.13 30.56 2ken s GLU 29 CO -0.21 0.19 0.01 0.27 0.02 0.00 0.00 175.26 175.53 2ken n ASN 30 N 3.36 2.97 0.00 -0.19 6.94 -1.20 -4.95 115.26 122.19 2ken n ASN 30 Ca -0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 2ken n ASN 30 Cb 0.51 0.54 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 2ken n ASN 30 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2ken n THR 31 N -2.41 0.00 -2.45 5.53 -1.04 -1.13 -4.94 114.28 107.84 2ken n THR 31 Ca -0.15 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.52 2ken n THR 31 Cb 0.76 -0.70 -0.02 0.00 -1.82 0.00 0.00 70.33 68.55 2ken n THR 31 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2ken s HIS 32 N -1.27 2.95 0.16 -1.42 3.76 -1.07 -4.95 115.29 113.45 2ken s HIS 32 Ca 0.00 1.57 -0.11 0.00 -0.15 0.00 0.00 55.06 56.36 2ken s HIS 32 Cb 0.00 -3.09 0.04 0.00 1.11 0.00 0.00 32.58 30.64 2ken s HIS 32 CO 0.00 -0.96 1.62 0.93 -0.85 0.00 0.00 174.74 175.48 2ken h GLU 33 N 1.39 0.95 0.26 1.40 5.08 -1.97 -3.21 114.58 118.48 2ken h GLU 33 Ca -0.49 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 57.56 2ken h GLU 33 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2ken h GLU 33 CO 0.59 0.95 -0.13 1.03 -1.00 0.00 0.00 179.01 180.45 2ken h SER 34 N 0.83 -0.30 -3.35 1.42 0.87 -2.01 -3.42 113.55 107.60 2ken h SER 34 Ca 0.16 -0.21 -0.67 0.00 -1.23 0.00 0.00 61.79 59.84 2ken h SER 34 Cb 0.51 0.08 -0.17 0.00 -0.44 0.00 0.00 62.40 62.38 2ken h SER 34 CO 0.02 0.08 -0.63 -0.63 -0.53 0.00 0.00 176.83 175.14 2ken s ILE 35 N -4.57 4.21 -0.14 2.23 1.01 -1.21 -4.22 121.20 118.51 2ken s ILE 35 Ca -0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 2ken s ILE 35 Cb 0.02 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 2ken s ILE 35 CO 0.55 0.57 -0.19 -1.54 0.00 0.00 0.00 174.94 174.34 2ken n SER 36 N 2.54 1.79 -3.85 3.58 3.41 -0.79 -2.61 113.62 117.68 2ken n SER 36 Ca -0.18 0.61 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 2ken n SER 36 Cb 0.53 -0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 2ken n SER 36 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ken s GLN 37 N -2.27 0.71 0.12 4.33 -0.21 -1.18 -2.86 119.66 118.30 2ken s GLN 37 Ca -0.16 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.57 2ken s GLN 37 Cb 0.02 0.29 -0.04 0.00 1.00 0.00 0.00 33.01 34.28 2ken s GLN 37 CO 0.23 -0.21 -0.03 0.08 -2.12 0.00 0.00 175.29 173.24 2ken s VAL 38 N -2.70 0.63 -0.40 1.09 1.01 0.15 -1.45 120.40 118.73 2ken s VAL 38 Ca -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2ken s VAL 38 Cb -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2ken s VAL 38 CO -0.05 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 174.94 2ken n GLY 39 N -0.10 -1.12 3.16 4.51 0.00 -1.10 0.13 105.19 110.66 2ken n GLY 39 Ca -0.10 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 2.27 -0.18 0.99 1.02 -1.10 -2.13 118.68 119.55 2ken s LEU 40 Ca 0.00 -0.61 -0.03 0.00 0.02 0.00 0.00 54.13 53.51 2ken s LEU 40 Cb 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 46.19 45.70 2ken s LEU 40 CO 0.00 -0.08 -0.05 -0.76 0.02 0.00 0.00 176.35 175.48 2ken s LEU 41 N -1.71 3.06 -0.59 1.79 1.43 0.17 -3.07 118.68 119.76 2ken s LEU 41 Ca -0.03 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 2ken s LEU 41 Cb -0.10 -1.75 0.09 0.00 0.03 0.00 0.00 46.19 44.46 2ken s LEU 41 CO 0.02 0.09 0.75 -0.83 0.23 0.00 0.00 176.35 176.61 2ken s GLY 42 N 0.85 1.67 0.32 -3.19 0.00 0.36 -2.45 107.32 104.88 2ken s GLY 42 Ca -0.01 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.76 2ken s GLY 42 CO 0.01 1.68 0.30 0.99 0.00 0.00 0.00 173.10 176.09 2ken s ASP 43 N 3.45 5.46 0.38 1.64 1.11 0.18 -2.74 116.67 126.15 2ken s ASP 43 Ca 0.15 -0.39 0.28 0.00 0.18 0.00 0.00 52.55 52.77 2ken s ASP 43 Cb -0.21 -1.12 1.08 0.00 1.07 0.00 0.00 42.92 43.74 2ken s ASP 43 CO 0.09 -0.30 1.82 -0.08 1.18 0.00 0.00 175.17 177.87 2ken h GLU 44 N 1.24 0.00 0.00 8.23 4.81 -1.91 -2.52 114.58 124.43 2ken h GLU 44 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2ken h GLU 44 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2ken h GLU 44 CO 0.58 0.00 -0.75 0.25 -0.73 0.00 0.00 179.01 178.36 2ken n THR 45 N -2.62 0.03 0.00 0.32 -2.24 -1.26 -5.05 114.28 103.46 2ken n THR 45 Ca 0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2ken n THR 45 Cb 0.29 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.48 -0.04 3.19 3.38 0.00 -0.95 -4.72 105.19 107.51 2ken n GLY 46 Ca 0.04 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 0.96 -0.09 -0.61 -4.36 -1.26 -0.64 121.20 111.19 2ken s ILE 47 Ca 0.00 -1.71 -0.18 0.00 -0.26 0.00 0.00 60.65 58.51 2ken s ILE 47 Cb 0.00 -1.44 0.04 0.00 1.25 0.00 0.00 42.46 42.31 2ken s ILE 47 CO 0.00 -0.60 0.43 -0.51 0.24 0.00 0.00 174.94 174.50 2ken s ILE 48 N -2.62 0.02 0.71 8.37 2.07 -1.03 -4.97 121.20 123.76 2ken s ILE 48 Ca 0.07 -0.19 -0.11 0.00 -1.41 0.00 0.00 60.65 59.01 2ken s ILE 48 Cb -0.02 -0.68 0.02 0.00 0.13 0.00 0.00 42.46 41.92 2ken s ILE 48 CO -0.00 -0.10 1.10 -0.54 -1.91 0.00 0.00 174.94 173.48 2ken s LYS 49 N -0.60 2.73 -0.05 3.50 1.02 -1.26 -0.66 119.74 124.42 2ken s LYS 49 Ca -0.07 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.08 2ken s LYS 49 Cb -0.03 -2.03 0.04 0.00 -0.52 0.00 0.00 37.83 35.29 2ken s LYS 49 CO 0.03 -1.10 0.48 -0.59 -0.92 0.00 0.00 175.35 173.26 2ken s PHE 50 N -3.37 -0.42 -0.04 3.18 -0.12 -0.90 -2.63 117.98 113.68 2ken s PHE 50 Ca 0.58 0.75 0.02 0.00 -0.05 0.00 0.00 56.93 58.23 2ken s PHE 50 Cb -0.11 0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 2ken s PHE 50 CO 0.51 -0.46 -0.07 0.99 -0.05 0.00 0.00 175.22 176.14 2ken s THR 51 N -1.05 0.70 -0.19 -4.49 2.01 -1.05 -2.70 115.64 108.86 2ken s THR 51 Ca -0.11 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.57 2ken s THR 51 Cb -0.03 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2ken s THR 51 CO 0.06 0.24 0.04 -0.63 -0.69 0.00 0.00 174.62 173.64 2ken s ILE 52 N 0.57 4.44 0.18 1.82 1.01 -0.53 -1.20 121.20 127.49 2ken s ILE 52 Ca -0.09 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 2ken s ILE 52 Cb -0.12 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 2ken s ILE 52 CO 0.01 0.44 0.79 0.26 0.00 0.00 0.00 174.94 176.44 2ken s TRP 53 N 0.66 3.90 0.44 3.97 0.52 -1.09 -1.89 118.94 125.46 2ken s TRP 53 Ca 0.02 1.65 0.12 0.00 0.02 0.00 0.00 56.10 57.90 2ken s TRP 53 Cb -0.14 -2.78 1.01 0.00 -1.15 0.00 0.00 33.47 30.42 2ken s TRP 53 CO 0.02 0.50 2.05 -0.22 0.02 0.00 0.00 176.95 179.32 2ken h LYS 54 N 4.24 0.37 0.00 4.98 1.63 -1.81 0.15 116.57 126.13 2ken h LYS 54 Ca -0.47 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2ken h LYS 54 Cb 1.20 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 2ken h LYS 54 CO 0.66 0.25 0.00 0.09 -3.45 0.00 0.00 179.45 177.00 2ken n ASN 55 N -4.48 0.00 0.01 4.20 3.02 -1.26 -1.40 115.26 115.34 2ken n ASN 55 Ca 0.04 0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.73 2ken n ASN 55 Cb 0.18 -0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 38.89 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ken h ALA 56 N 2.28 0.60 -6.36 5.41 0.00 -1.01 -3.41 119.26 116.77 2ken h ALA 56 Ca 0.00 -1.31 -0.47 0.00 0.00 0.00 0.00 54.91 53.13 2ken h ALA 56 Cb 0.07 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ken h ALA 56 CO 0.00 1.44 -0.89 0.39 0.00 0.00 0.00 179.25 180.18 2ken n GLU 57 N -3.20 -2.92 -3.99 0.00 -0.58 -0.49 -4.72 120.64 104.74 2ken n GLU 57 Ca -0.15 0.45 -0.27 0.00 -0.42 0.00 0.00 57.16 56.76 2ken n GLU 57 Cb 1.03 -4.49 -0.04 0.00 -0.57 0.00 0.00 31.44 27.37 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 -6.79 4.16 0.59 -4.62 1.43 -1.26 -5.08 118.68 107.11 2ken s LEU 58 Ca 0.14 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 2ken s LEU 58 Cb -0.05 -2.75 -0.06 0.00 0.03 0.00 0.00 46.19 43.36 2ken s LEU 58 CO 0.87 0.08 0.86 -2.65 0.23 0.00 0.00 176.35 175.75 2ken n PRO 59 N -0.31 0.81 -2.11 1.29 -0.02 -1.26 -4.91 135.00 128.48 2ken n PRO 59 Ca -0.07 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 2ken n PRO 59 Cb 0.54 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2ken n PRO 59 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ken s LEU 60 N -1.40 4.42 0.29 2.45 1.43 -1.26 -4.99 118.68 119.62 2ken s LEU 60 Ca 0.74 2.64 -0.22 0.00 -1.03 0.00 0.00 54.13 56.27 2ken s LEU 60 Cb -0.42 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 2ken s LEU 60 CO 0.49 -0.56 0.84 -0.76 0.23 0.00 0.00 176.35 176.58 2ken s LEU 61 N -1.29 4.29 -0.13 1.79 1.02 -1.26 -5.06 118.68 118.04 2ken s LEU 61 Ca 0.52 1.61 -0.05 0.00 0.02 0.00 0.00 54.13 56.23 2ken s LEU 61 Cb -0.40 -3.87 -0.04 0.00 0.02 0.00 0.00 46.19 41.90 2ken s LEU 61 CO 0.49 -0.06 0.03 -1.61 0.02 0.00 0.00 176.35 175.23 2ken s GLU 62 N -2.17 3.46 0.42 1.70 2.02 -1.26 -5.04 118.70 117.84 2ken s GLU 62 Ca 0.48 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.88 2ken s GLU 62 Cb -0.16 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 30.98 2ken s GLU 62 CO 0.21 0.51 1.06 1.14 0.02 0.00 0.00 175.26 178.20 2ken s GLN 63 N -0.33 4.08 0.00 1.61 -2.07 -1.26 -2.95 119.66 118.74 2ken s GLN 63 Ca 0.08 1.51 0.00 0.00 -1.82 0.00 0.00 55.36 55.13 2ken s GLN 63 Cb -0.12 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 2ken s GLN 63 CO 0.02 -0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 2ken n GLY 64 N 0.25 2.91 3.91 2.60 0.00 0.14 -4.97 105.19 110.03 2ken n GLY 64 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2ken n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ken s GLU 65 N -0.04 3.53 0.24 1.61 2.56 -1.15 -4.83 118.70 120.61 2ken s GLU 65 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 54.97 54.48 2ken s GLU 65 Cb 0.00 -2.94 -0.09 0.00 2.00 0.00 0.00 34.13 33.10 2ken s GLU 65 CO 0.00 0.54 0.78 -1.12 -0.56 0.00 0.00 175.26 174.90 2ken s SER 66 N -2.50 7.17 0.01 -1.70 0.01 -1.26 -2.85 113.70 112.58 2ken s SER 66 Ca 0.38 1.55 -0.03 0.00 1.31 0.00 0.00 55.95 59.15 2ken s SER 66 Cb -0.13 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2ken s SER 66 CO 0.26 0.04 0.05 -0.31 0.41 0.00 0.00 173.24 173.69 2ken s TYR 67 N -1.49 0.17 -0.16 2.43 2.02 -0.56 -2.69 117.35 117.08 2ken s TYR 67 Ca 0.43 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.73 2ken s TYR 67 Cb -0.18 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.22 2ken s TYR 67 CO 0.22 -0.24 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.76 2ken s LEU 68 N -1.47 3.25 -0.26 -1.29 2.96 -0.82 -2.71 118.68 118.35 2ken s LEU 68 Ca -0.15 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2ken s LEU 68 Cb -0.09 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.84 2ken s LEU 68 CO -0.00 0.17 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.41 2ken s LEU 69 N 0.36 3.30 0.05 -0.68 1.43 -0.73 -2.50 118.68 119.91 2ken s LEU 69 Ca -0.04 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 2ken s LEU 69 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2ken s LEU 69 CO 0.03 -0.13 -0.12 -0.13 0.23 0.00 0.00 176.35 176.23 2ken s ARG 70 N 1.38 2.23 -1.09 1.70 0.52 -1.07 -2.03 118.95 120.59 2ken s ARG 70 Ca 0.01 -0.92 -0.09 0.00 -0.52 0.00 0.00 55.73 54.21 2ken s ARG 70 Cb -0.16 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 2ken s ARG 70 CO -0.03 0.55 0.88 0.45 0.02 0.00 0.00 175.30 177.17 2ken n SER 71 N 1.31 -5.79 -4.67 0.23 2.88 -1.25 -1.92 113.62 104.42 2ken n SER 71 Ca -0.15 -0.79 -0.24 0.00 -1.33 0.00 0.00 58.87 56.35 2ken n SER 71 Cb 0.52 -4.66 -0.08 0.00 -0.75 0.00 0.00 64.21 59.24 2ken n SER 71 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2ken s VAL 72 N -3.42 2.65 0.12 2.46 -7.23 -0.93 -3.59 120.40 110.46 2ken s VAL 72 Ca 0.42 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 2ken s VAL 72 Cb -0.08 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2ken s VAL 72 CO 0.78 -0.16 -0.17 0.54 -0.31 0.00 0.00 175.10 175.77 2ken s VAL 73 N -2.52 1.55 -0.13 1.32 0.11 -1.21 -2.39 120.40 117.14 2ken s VAL 73 Ca 0.36 -1.66 -0.14 0.00 -2.93 0.00 0.00 61.98 57.61 2ken s VAL 73 Cb 0.00 -1.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 2ken s VAL 73 CO 0.20 -0.25 0.34 -0.69 -3.33 0.00 0.00 175.10 171.37 2ken s VAL 74 N -1.67 5.25 0.20 2.04 1.01 -0.98 -0.91 120.40 125.35 2ken s VAL 74 Ca 0.08 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.79 2ken s VAL 74 Cb -0.07 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2ken s VAL 74 CO 0.04 0.42 -0.02 -0.83 0.00 0.00 0.00 175.10 174.71 2ken s GLY 75 N 0.19 1.70 -0.29 4.51 0.00 0.16 0.58 107.32 114.17 2ken s GLY 75 Ca 0.19 -1.47 -0.10 0.00 0.00 0.00 0.00 44.72 43.34 2ken s GLY 75 CO 0.06 -1.50 0.16 1.85 0.00 0.00 0.00 173.10 173.67 2ken s GLU 76 N -3.15 3.66 -0.10 2.90 2.12 -1.26 -1.38 118.70 121.50 2ken s GLU 76 Ca 0.28 -0.51 -0.02 0.00 0.36 0.00 0.00 54.97 55.09 2ken s GLU 76 Cb -0.08 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.76 2ken s GLU 76 CO 0.18 -0.28 0.01 -0.47 -0.54 0.00 0.00 175.26 174.16 2ken s TYR 77 N 1.69 0.72 -1.20 5.30 5.04 -0.48 -4.87 117.35 123.54 2ken s TYR 77 Ca 0.06 -0.30 -0.10 0.00 -2.44 0.00 0.00 57.07 54.29 2ken s TYR 77 Cb -0.16 -0.84 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 2ken s TYR 77 CO 0.08 -0.39 0.75 0.09 -1.34 0.00 0.00 175.55 174.74 2ken n ASN 78 N 5.13 -3.70 0.00 4.32 5.03 -1.26 -0.55 115.26 124.23 2ken n ASN 78 Ca -0.07 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.47 2ken n ASN 78 Cb 0.49 -3.87 0.00 0.00 -1.02 0.00 0.00 39.78 35.38 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2ken n ASP 79 N -2.92 0.00 -4.71 6.41 8.00 -1.26 -4.88 116.55 117.20 2ken n ASP 79 Ca -0.18 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.97 2ken n ASP 79 Cb 0.63 -1.67 -0.09 0.00 -0.02 0.00 0.00 41.12 39.98 2ken n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2ken s ARG 80 N -0.46 3.93 0.38 -1.24 3.52 0.29 -5.08 118.95 120.29 2ken s ARG 80 Ca 0.00 -0.27 -0.24 0.00 -0.13 0.00 0.00 55.73 55.09 2ken s ARG 80 Cb 0.00 -3.26 -0.10 0.00 -1.56 0.00 0.00 34.95 30.03 2ken s ARG 80 CO 0.00 0.38 0.99 -0.06 -0.81 0.00 0.00 175.30 175.79 2ken s PHE 81 N 0.10 3.44 0.13 5.12 0.08 -1.26 -1.38 117.98 124.20 2ken s PHE 81 Ca 0.07 1.69 -0.09 0.00 0.12 0.00 0.00 56.93 58.72 2ken s PHE 81 Cb -0.12 -2.98 -0.00 0.00 -0.57 0.00 0.00 43.02 39.34 2ken s PHE 81 CO -0.00 -0.19 0.24 1.14 -0.10 0.00 0.00 175.22 176.31 2ken s GLN 82 N -2.48 1.00 -0.27 0.44 -2.07 -0.48 -4.60 119.66 111.20 2ken s GLN 82 Ca 0.56 -1.06 -0.09 0.00 -1.82 0.00 0.00 55.36 52.94 2ken s GLN 82 Cb -0.18 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 2ken s GLN 82 CO 0.23 -0.35 0.14 0.14 -1.32 0.00 0.00 175.29 174.13 2ken s VAL 83 N -3.91 4.83 -0.20 3.63 -7.23 -1.08 0.39 120.40 116.83 2ken s VAL 83 Ca 0.11 -0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.17 2ken s VAL 83 Cb 0.04 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 2ken s VAL 83 CO -0.06 0.28 0.12 -1.10 -0.31 0.00 0.00 175.10 174.03 2ken s GLN 84 N 1.69 4.16 -0.16 4.82 -0.21 -0.09 -2.52 119.66 127.34 2ken s GLN 84 Ca 0.07 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.10 2ken s GLN 84 Cb -0.16 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 2ken s GLN 84 CO 0.07 0.29 0.19 0.08 -2.12 0.00 0.00 175.29 173.81 2ken s VAL 85 N 0.37 5.38 0.01 1.09 1.01 -0.34 -3.33 120.40 124.58 2ken s VAL 85 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2ken s VAL 85 Cb -0.11 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 2ken s VAL 85 CO -0.02 0.47 0.00 -0.46 0.00 0.00 0.00 175.10 175.09 2ken n ASN 86 N 3.16 1.46 0.24 3.32 0.23 -1.26 -2.68 115.26 119.73 2ken n ASN 86 Ca -0.15 -1.03 0.10 0.00 -0.53 0.00 0.00 54.58 52.97 2ken n ASN 86 Cb 0.53 0.01 0.58 0.00 -2.08 0.00 0.00 39.78 38.82 2ken n ASN 86 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 2ken h LYS 87 N 0.00 0.00 -0.00 -3.83 2.10 -1.84 -1.97 116.57 111.02 2ken h LYS 87 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ken h LYS 87 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2ken h LYS 87 CO 0.01 0.20 -0.03 0.09 -2.00 0.00 0.00 179.45 177.71 2ken n ASN 88 N -3.64 0.04 -4.93 7.07 3.02 -1.26 -4.83 115.26 110.74 2ken n ASN 88 Ca -0.01 0.33 -0.25 0.00 -0.03 0.00 0.00 54.58 54.62 2ken n ASN 88 Cb 0.33 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.92 5.76 0.10 6.41 0.01 -0.74 -4.78 113.70 117.53 2ken s SER 89 Ca 0.16 0.59 0.02 0.00 1.31 0.00 0.00 55.95 58.04 2ken s SER 89 Cb 0.19 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 2ken s SER 89 CO 0.53 -0.87 -0.08 -0.44 0.41 0.00 0.00 173.24 172.79 2ken s SER 90 N -4.25 1.22 -0.04 2.44 0.01 -0.81 -4.87 113.70 107.41 2ken s SER 90 Ca 0.51 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2ken s SER 90 Cb -0.10 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2ken s SER 90 CO 0.43 -0.39 -0.01 -0.63 0.41 0.00 0.00 173.24 173.05 2ken s ILE 91 N -3.12 0.26 -0.09 1.44 1.01 -1.26 -2.59 121.20 116.86 2ken s ILE 91 Ca 0.09 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.81 2ken s ILE 91 Cb 0.02 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.15 2ken s ILE 91 CO -0.03 0.17 -0.15 -1.61 0.00 0.00 0.00 174.94 173.32 2ken s GLU 92 N 1.09 2.12 0.29 2.79 0.41 -1.04 -4.96 118.70 119.39 2ken s GLU 92 Ca -0.09 -0.55 -0.29 0.00 -0.41 0.00 0.00 54.97 53.63 2ken s GLU 92 Cb -0.14 -1.73 -0.10 0.00 -1.78 0.00 0.00 34.13 30.39 2ken s GLU 92 CO -0.02 0.03 1.31 0.21 -0.49 0.00 0.00 175.26 176.31 2ken s LYS 93 N 0.70 4.37 -0.15 1.61 2.20 -1.26 -1.95 119.74 125.27 2ken s LYS 93 Ca -0.13 2.16 -0.06 0.00 -0.36 0.00 0.00 55.97 57.58 2ken s LYS 93 Cb -0.16 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2ken s LYS 93 CO 0.03 -0.21 0.07 -0.51 -0.36 0.00 0.00 175.35 174.38 2ken s LEU 94 N -1.17 3.93 0.00 5.43 1.43 -1.09 -4.92 118.68 122.29 2ken s LEU 94 Ca 0.52 0.20 0.29 0.00 -1.03 0.00 0.00 54.13 54.11 2ken s LEU 94 Cb -0.39 -1.97 1.32 0.00 0.03 0.00 0.00 46.19 45.18 2ken s LEU 94 CO 0.47 0.27 1.90 -1.54 0.23 0.00 0.00 176.35 177.68 2ken n SER 95 N 2.88 0.71 -4.45 2.29 3.41 -1.26 -4.61 113.62 112.59 2ken n SER 95 Ca -0.18 -1.00 -0.34 0.00 -0.26 0.00 0.00 58.87 57.09 2ken n SER 95 Cb 0.53 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2ken s GLU 96 N -2.20 3.60 0.51 4.33 2.56 -1.26 -5.11 118.70 121.14 2ken s GLU 96 Ca 0.36 -0.55 -0.19 0.00 0.00 0.00 0.00 54.97 54.60 2ken s GLU 96 Cb 0.21 -2.94 -0.07 0.00 2.00 0.00 0.00 34.13 33.32 2ken s GLU 96 CO 0.41 0.13 1.05 -1.25 -0.56 0.00 0.00 175.26 175.04 2ken s PRO 97 N 0.64 3.68 -0.11 4.30 0.04 -1.26 -4.79 135.00 137.50 2ken s PRO 97 Ca -0.02 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2ken s PRO 97 Cb -0.14 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2ken s PRO 97 CO 0.02 -0.53 -0.08 0.42 0.04 0.00 0.00 177.00 176.88 2ken s ILE 98 N -2.07 3.58 -0.23 0.56 1.01 -1.26 -5.10 121.20 117.70 2ken s ILE 98 Ca 0.67 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 2ken s ILE 98 Cb -0.17 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 2ken s ILE 98 CO 0.24 0.55 0.06 -1.61 0.00 0.00 0.00 174.94 174.18 2ken s GLU 99 N -0.17 3.72 0.00 2.79 0.41 -1.26 -4.93 118.70 119.26 2ken s GLU 99 Ca 0.02 -0.45 0.15 0.00 -0.41 0.00 0.00 54.97 54.27 2ken s GLU 99 Cb -0.13 -3.27 -0.06 0.00 -1.78 0.00 0.00 34.13 28.89 2ken s GLU 99 CO 0.03 -0.06 0.74 1.33 -0.49 0.00 0.00 175.26 176.81 2ken n VAL 100 N 4.54 0.00 -1.98 2.63 0.24 -1.26 -4.85 118.33 117.66 2ken n VAL 100 Ca -0.16 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2ken n VAL 100 Cb 0.52 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 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 1.19 1.18 3.82 7.63 0.00 -1.26 -4.72 105.19 113.03 2ken n GLY 101 Ca 0.05 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 2ken n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ken n LEU 102 N 0.00 -1.77 -4.72 0.99 4.32 -1.26 -4.84 117.00 109.72 2ken n LEU 102 Ca 0.00 -1.01 -0.42 0.00 -0.02 0.00 0.00 56.01 54.57 2ken n LEU 102 Cb 0.00 -1.72 -0.03 0.00 -1.62 0.00 0.00 43.42 40.04 2ken n LEU 102 CO 0.00 0.42 0.85 -1.61 -1.22 0.00 0.00 177.39 175.83 2ken s GLU 103 N -5.45 4.48 0.96 3.23 0.41 -1.26 -4.65 118.70 116.43 2ken s GLU 103 Ca 0.13 1.75 0.00 0.00 -0.41 0.00 0.00 54.97 56.44 2ken s GLU 103 Cb -0.07 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 2ken s GLU 103 CO 0.91 -0.15 0.00 0.72 -0.49 0.00 0.00 175.26 176.24 2ken n HIS 104 N 3.39 0.00 -4.08 1.61 8.25 -1.26 -4.50 115.22 118.63 2ken n HIS 104 Ca 0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.48 2ken n HIS 104 Cb 0.46 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 2ken n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ken n HIS 105 N 0.00 -0.15 -2.07 4.41 8.25 -1.26 -5.11 115.22 119.28 2ken n HIS 105 Ca 0.00 -0.70 -0.41 0.00 -0.26 0.00 0.00 57.72 56.35 2ken n HIS 105 Cb 0.00 0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2ken n HIS 105 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ken s HIS 106 N -2.25 3.07 0.34 4.41 0.09 -1.26 -4.98 115.29 114.70 2ken s HIS 106 Ca 0.09 1.16 -0.25 0.00 -0.00 0.00 0.00 55.06 56.05 2ken s HIS 106 Cb 0.00 -3.75 -0.10 0.00 -0.00 0.00 0.00 32.58 28.74 2ken s HIS 106 CO 0.06 -2.33 0.94 -3.38 -0.00 0.00 0.00 174.74 170.04 2ken s HIS 107 N -0.26 3.64 0.32 1.40 -3.43 -1.26 -5.03 115.29 110.67 2ken s HIS 107 Ca 0.56 1.76 -0.24 0.00 -0.80 0.00 0.00 55.06 56.34 2ken s HIS 107 Cb -0.40 -2.91 -0.10 0.00 -1.43 0.00 0.00 32.58 27.74 2ken s HIS 107 CO 0.45 0.17 0.91 -1.01 -2.00 0.00 0.00 174.74 173.25 2ken s HIS 108 N -1.69 3.64 -1.05 0.38 3.76 -1.26 -5.25 115.29 113.82 2ken s HIS 108 Ca 0.52 1.69 0.00 0.00 -0.15 0.00 0.00 55.06 57.12 2ken s HIS 108 Cb -0.17 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2ken s HIS 108 CO 0.22 0.20 0.26 1.58 -0.85 0.00 0.00 174.74 176.15