#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 -1.96 -1.39 2.12 2.13 -1.26 -4.97 120.64 115.32 2ken n GLU 2 Ca 0.00 0.77 -0.31 0.00 0.66 0.00 0.00 57.16 58.28 2ken n GLU 2 Cb 0.00 -5.38 0.08 0.00 0.27 0.00 0.00 31.44 26.41 2ken n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2ken s PRO 3 N -4.78 2.51 -0.28 5.31 0.04 -1.26 -4.98 135.00 131.56 2ken s PRO 3 Ca 0.45 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 2ken s PRO 3 Cb -0.09 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2ken s PRO 3 CO 0.77 -1.45 0.99 1.14 0.04 0.00 0.00 177.00 178.50 2ken s GLN 4 N -4.90 4.13 -0.09 4.56 -2.07 -1.26 -4.99 119.66 115.04 2ken s GLN 4 Ca 0.60 1.08 -0.19 0.00 -1.82 0.00 0.00 55.36 55.03 2ken s GLN 4 Cb -0.16 -3.69 -0.04 0.00 -1.09 0.00 0.00 33.01 28.02 2ken s GLN 4 CO 0.55 -0.73 0.53 -0.51 -1.32 0.00 0.00 175.29 173.81 2ken s LEU 5 N 3.29 4.31 0.02 2.60 1.43 -1.26 -1.87 118.68 127.20 2ken s LEU 5 Ca 0.42 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.53 2ken s LEU 5 Cb -0.14 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 2ken s LEU 5 CO 0.11 0.01 -0.22 -0.89 0.23 0.00 0.00 176.35 175.58 2ken s THR 6 N 0.46 1.79 0.10 5.49 2.01 -1.04 -4.95 115.64 119.50 2ken s THR 6 Ca 0.29 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.09 2ken s THR 6 Cb -0.16 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.77 2ken s THR 6 CO 0.13 0.36 0.38 -0.54 -0.69 0.00 0.00 174.62 174.26 2ken s LYS 7 N -0.90 3.69 0.21 4.92 1.02 -1.26 -4.78 119.74 122.63 2ken s LYS 7 Ca 0.09 0.06 -0.10 0.00 0.02 0.00 0.00 55.97 56.04 2ken s LYS 7 Cb -0.09 -2.94 0.27 0.00 -0.52 0.00 0.00 37.83 34.55 2ken s LYS 7 CO 0.01 0.53 1.74 0.82 -0.92 0.00 0.00 175.35 177.52 2ken h ILE 8 N 2.57 0.75 0.00 2.17 1.08 -1.97 0.50 117.51 122.61 2ken h ILE 8 Ca -0.48 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2ken h ILE 8 Cb 1.18 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 2ken h ILE 8 CO 0.69 0.07 0.00 0.55 -0.69 0.00 0.00 178.15 178.76 2ken n VAL 9 N -5.02 1.23 0.64 1.67 3.14 -1.26 -1.09 118.33 117.64 2ken n VAL 9 Ca 0.08 0.39 0.12 0.00 -2.96 0.00 0.00 64.34 61.97 2ken n VAL 9 Cb 0.27 -1.28 0.17 0.00 -1.06 0.00 0.00 33.84 31.94 2ken n VAL 9 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2ken n ASP 10 N -1.79 3.23 -4.63 6.55 8.00 0.17 -4.89 116.55 123.20 2ken n ASP 10 Ca 0.01 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.11 2ken n ASP 10 Cb 0.12 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 2ken n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ken s ILE 11 N -1.73 4.87 0.00 0.53 1.01 -0.25 -4.79 121.20 120.84 2ken s ILE 11 Ca 0.34 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2ken s ILE 11 Cb 0.22 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2ken s ILE 11 CO 0.31 -0.10 0.19 1.33 0.00 0.00 0.00 174.94 176.66 2ken n VAL 12 N 5.33 0.00 -4.18 2.92 0.24 -1.26 -5.06 118.33 116.32 2ken n VAL 12 Ca 0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.06 2ken n VAL 12 Cb 0.48 0.44 -0.17 0.00 -1.47 0.00 0.00 33.84 33.13 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 1.88 0.37 7.34 2.12 -1.26 -5.13 118.70 124.01 2ken s GLU 13 Ca 0.00 -0.42 -0.14 0.00 0.36 0.00 0.00 54.97 54.78 2ken s GLU 13 Cb 0.00 -1.73 -0.08 0.00 0.26 0.00 0.00 34.13 32.58 2ken s GLU 13 CO 0.00 -0.16 0.77 1.21 -0.54 0.00 0.00 175.26 176.54 2ken s ASN 14 N 1.30 6.68 -0.54 -1.70 2.47 -1.26 -3.86 114.94 118.03 2ken s ASN 14 Ca -0.01 1.26 0.00 0.00 0.42 0.00 0.00 52.86 54.52 2ken s ASN 14 Cb -0.14 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2ken s ASN 14 CO -0.05 -0.31 0.00 0.61 -3.72 0.00 0.00 177.10 173.63 2ken n GLY 15 N -0.79 0.73 3.89 1.21 0.00 0.88 -4.94 105.19 106.17 2ken n GLY 15 Ca 0.03 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.57 3.55 -0.20 1.61 0.74 -1.25 -4.80 119.66 116.74 2ken s GLN 16 Ca 0.00 -0.14 -0.11 0.00 0.05 0.00 0.00 55.36 55.16 2ken s GLN 16 Cb 0.00 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 2ken s GLN 16 CO 0.00 0.65 0.17 -1.58 -0.55 0.00 0.00 175.29 173.97 2ken s TRP 17 N -1.32 3.41 0.23 1.67 0.52 -1.26 -2.10 118.94 120.10 2ken s TRP 17 Ca 0.28 0.38 -0.09 0.00 0.02 0.00 0.00 56.10 56.69 2ken s TRP 17 Cb -0.13 -2.21 0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2ken s TRP 17 CO 0.17 0.26 0.47 0.00 0.02 0.00 0.00 176.95 177.87 2ken n ALA 18 N 3.60 -1.07 -2.52 0.98 0.00 -1.07 -4.99 120.51 115.44 2ken n ALA 18 Ca -0.15 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.30 2ken n ALA 18 Cb 0.52 0.59 -0.15 0.00 0.00 0.00 0.00 19.45 20.41 2ken n ALA 18 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ken s ASN 19 N -2.24 1.99 0.05 0.00 2.47 -0.78 -2.62 114.94 113.81 2ken s ASN 19 Ca 0.10 -0.34 0.01 0.00 0.42 0.00 0.00 52.86 53.04 2ken s ASN 19 Cb -0.03 -0.21 -0.03 0.00 -1.45 0.00 0.00 41.25 39.53 2ken s ASN 19 CO 0.07 0.18 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.82 2ken s LEU 20 N -0.56 2.36 -0.02 3.21 1.02 -1.08 -2.51 118.68 121.11 2ken s LEU 20 Ca 0.06 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.48 2ken s LEU 20 Cb -0.07 0.01 0.01 0.00 0.02 0.00 0.00 46.19 46.16 2ken s LEU 20 CO -0.00 -0.38 -0.04 -0.75 0.02 0.00 0.00 176.35 175.20 2ken s LYS 21 N -2.60 0.52 0.03 1.70 2.20 -1.26 -2.08 119.74 118.25 2ken s LYS 21 Ca -0.03 -0.12 -0.08 0.00 -0.36 0.00 0.00 55.97 55.38 2ken s LYS 21 Cb -0.02 -0.54 0.03 0.00 -1.51 0.00 0.00 37.83 35.78 2ken s LYS 21 CO -0.04 0.02 0.38 0.00 -0.36 0.00 0.00 175.35 175.35 2ken n ALA 22 N 3.45 -1.04 -2.53 3.13 0.00 -1.06 -4.89 120.51 117.58 2ken n ALA 22 Ca -0.19 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.69 2ken n ALA 22 Cb 0.55 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.02 2ken n ALA 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ken s LYS 23 N -2.01 1.89 -0.50 0.00 -2.85 -1.11 -0.88 119.74 114.28 2ken s LYS 23 Ca 0.09 -1.43 -0.21 0.00 -1.00 0.00 0.00 55.97 53.42 2ken s LYS 23 Cb -0.01 -2.02 0.05 0.00 -2.06 0.00 0.00 37.83 33.79 2ken s LYS 23 CO 0.01 0.40 0.72 0.08 0.10 0.00 0.00 175.35 176.66 2ken s VAL 24 N -1.89 4.73 -0.02 1.79 1.01 -1.13 0.82 120.40 125.70 2ken s VAL 24 Ca 0.25 -0.15 0.21 0.00 0.00 0.00 0.00 61.98 62.29 2ken s VAL 24 Cb -0.08 -4.35 0.18 0.00 0.00 0.00 0.00 36.38 32.14 2ken s VAL 24 CO 0.14 -0.85 1.67 0.40 0.00 0.00 0.00 175.10 176.46 2ken h ILE 25 N 5.91 0.62 -2.07 2.22 2.04 -1.90 -1.51 117.51 122.82 2ken h ILE 25 Ca -0.27 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.05 2ken h ILE 25 Cb 1.09 2.03 -0.19 0.00 -0.74 0.00 0.00 36.82 39.01 2ken h ILE 25 CO 0.98 0.30 0.24 -1.58 0.00 0.00 0.00 178.15 178.10 2ken s GLN 26 N -3.36 1.02 0.11 2.37 2.00 -1.26 -4.85 119.66 115.70 2ken s GLN 26 Ca 0.02 0.15 -0.02 0.00 -2.00 0.00 0.00 55.36 53.51 2ken s GLN 26 Cb 0.09 0.48 -0.04 0.00 0.80 0.00 0.00 33.01 34.34 2ken s GLN 26 CO 0.68 -0.34 0.06 -0.48 -0.50 0.00 0.00 175.29 174.71 2ken s LEU 27 N -1.39 1.86 -0.19 3.68 2.34 -1.26 -2.67 118.68 121.03 2ken s LEU 27 Ca -0.08 -1.11 -0.04 0.00 0.06 0.00 0.00 54.13 52.96 2ken s LEU 27 Cb -0.00 0.38 0.09 0.00 -0.56 0.00 0.00 46.19 46.10 2ken s LEU 27 CO 0.06 -0.71 0.23 0.86 -1.06 0.00 0.00 176.35 175.72 2ken s TRP 28 N -4.00 -0.30 -0.03 3.48 -0.11 -0.05 -4.95 118.94 112.97 2ken s TRP 28 Ca 0.19 0.30 -0.30 0.00 1.22 0.00 0.00 56.10 57.51 2ken s TRP 28 Cb 0.07 -0.33 -0.04 0.00 -1.50 0.00 0.00 33.47 31.67 2ken s TRP 28 CO -0.02 -0.58 1.31 -1.83 -4.62 0.00 0.00 176.95 171.21 2ken s GLU 29 N 2.34 4.31 -0.00 5.86 -1.05 -1.26 -2.54 118.70 126.36 2ken s GLU 29 Ca 0.07 1.82 0.05 0.00 -0.15 0.00 0.00 54.97 56.76 2ken s GLU 29 Cb -0.15 -3.58 -0.01 0.00 -0.44 0.00 0.00 34.13 29.94 2ken s GLU 29 CO -0.12 -0.53 -0.16 0.54 0.95 0.00 0.00 175.26 175.94 2ken s ASN 30 N 1.73 1.93 -0.26 0.83 4.22 -1.16 -5.00 114.94 117.23 2ken s ASN 30 Ca 0.60 -0.34 0.10 0.00 -2.14 0.00 0.00 52.86 51.08 2ken s ASN 30 Cb -0.28 -0.20 0.47 0.00 1.28 0.00 0.00 41.25 42.52 2ken s ASN 30 CO 0.24 0.17 1.35 1.07 -2.04 0.00 0.00 177.10 177.90 2ken n THR 31 N 2.50 2.40 0.60 0.54 5.66 -1.26 -4.49 114.28 120.23 2ken n THR 31 Ca -0.15 -2.99 0.02 0.00 -3.05 0.00 0.00 64.05 57.88 2ken n THR 31 Cb 0.54 -0.28 0.11 0.00 -1.55 0.00 0.00 70.33 69.14 2ken n THR 31 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2ken n HIS 32 N -1.13 0.00 0.00 1.09 8.25 -1.25 -4.80 115.22 117.38 2ken n HIS 32 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 2ken n HIS 32 Cb 0.88 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.99 2ken n HIS 32 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2ken n GLU 33 N -0.68 0.00 -0.18 -0.41 2.13 -1.26 -4.27 120.64 115.96 2ken n GLU 33 Ca 0.03 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.78 2ken n GLU 33 Cb 0.01 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.75 2ken n GLU 33 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2ken h SER 34 N 0.00 0.63 -3.64 4.31 0.87 -1.97 -3.42 113.55 110.32 2ken h SER 34 Ca 0.00 -0.04 -0.68 0.00 -1.23 0.00 0.00 61.79 59.84 2ken h SER 34 Cb 0.00 -0.16 -0.18 0.00 -0.44 0.00 0.00 62.40 61.62 2ken h SER 34 CO 0.00 0.48 -0.70 -0.63 -0.53 0.00 0.00 176.83 175.45 2ken s ILE 35 N -6.06 3.63 -0.22 2.23 1.01 -1.26 -3.54 121.20 117.00 2ken s ILE 35 Ca -0.13 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 2ken s ILE 35 Cb 0.12 -2.55 -0.18 0.00 0.01 0.00 0.00 42.46 39.86 2ken s ILE 35 CO 0.75 0.46 0.06 -0.24 0.00 0.00 0.00 174.94 175.97 2ken n SER 36 N 1.78 1.94 -3.60 3.58 2.88 -1.01 -3.93 113.62 115.25 2ken n SER 36 Ca -0.16 0.33 -0.13 0.00 -1.33 0.00 0.00 58.87 57.58 2ken n SER 36 Cb 0.53 -0.87 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 2ken n SER 36 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2ken s GLN 37 N -2.44 1.03 -0.04 -1.46 0.74 -1.24 -2.96 119.66 113.29 2ken s GLN 37 Ca -0.31 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 54.65 2ken s GLN 37 Cb 0.09 0.46 0.01 0.00 1.10 0.00 0.00 33.01 34.67 2ken s GLN 37 CO 0.59 -0.38 0.12 0.54 -0.55 0.00 0.00 175.29 175.61 2ken s VAL 38 N -2.91 0.01 0.00 1.34 0.11 -1.05 -2.37 120.40 115.54 2ken s VAL 38 Ca -0.03 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2ken s VAL 38 Cb -0.00 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 2ken s VAL 38 CO -0.05 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 2ken n GLY 39 N 2.85 2.18 3.08 6.54 0.00 -1.12 -0.87 105.19 117.85 2ken n GLY 39 Ca -0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2ken n GLY 39 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ken s LEU 40 N 0.00 2.33 -0.13 0.99 2.34 -1.09 -2.02 118.68 121.11 2ken s LEU 40 Ca 0.00 -0.68 -0.02 0.00 0.06 0.00 0.00 54.13 53.49 2ken s LEU 40 Cb 0.00 -0.07 -0.02 0.00 -0.56 0.00 0.00 46.19 45.53 2ken s LEU 40 CO 0.00 -0.31 -0.08 -0.76 -1.06 0.00 0.00 176.35 174.14 2ken s LEU 41 N -2.00 3.05 -0.52 1.48 1.43 0.37 -3.45 118.68 119.03 2ken s LEU 41 Ca -0.05 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 2ken s LEU 41 Cb -0.05 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.53 2ken s LEU 41 CO -0.02 0.21 0.62 -0.83 0.23 0.00 0.00 176.35 176.56 2ken s GLY 42 N 0.11 1.80 0.29 -3.19 0.00 0.24 -2.39 107.32 104.19 2ken s GLY 42 Ca -0.03 -1.89 0.07 0.00 0.00 0.00 0.00 44.72 42.87 2ken s GLY 42 CO 0.03 1.45 0.31 0.99 0.00 0.00 0.00 173.10 175.89 2ken s ASP 43 N 2.89 5.68 0.30 1.64 1.11 0.45 -2.76 116.67 125.98 2ken s ASP 43 Ca 0.13 -0.26 0.25 0.00 0.18 0.00 0.00 52.55 52.85 2ken s ASP 43 Cb -0.21 -1.31 1.05 0.00 1.07 0.00 0.00 42.92 43.52 2ken s ASP 43 CO 0.10 -0.22 1.75 -0.33 1.18 0.00 0.00 175.17 177.64 2ken h GLU 44 N 1.23 0.00 -0.01 8.23 3.07 -1.91 -1.99 114.58 123.21 2ken h GLU 44 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2ken h GLU 44 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2ken h GLU 44 CO 0.58 0.00 -0.52 0.25 -1.40 0.00 0.00 179.01 177.92 2ken n THR 45 N -2.35 0.00 0.00 1.13 -2.24 -1.26 -4.85 114.28 104.71 2ken n THR 45 Ca 0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2ken n THR 45 Cb 0.23 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.42 0.15 3.22 3.38 0.00 -0.75 -4.72 105.19 107.89 2ken n GLY 46 Ca 0.09 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 0.71 -0.03 -0.61 -4.36 -1.26 -0.41 121.20 111.24 2ken s ILE 47 Ca 0.00 -1.97 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 2ken s ILE 47 Cb 0.00 -1.98 0.07 0.00 1.25 0.00 0.00 42.46 41.80 2ken s ILE 47 CO 0.00 -0.60 0.65 -0.51 0.24 0.00 0.00 174.94 174.72 2ken s ILE 48 N -3.63 0.00 0.71 8.37 2.07 -1.00 -4.97 121.20 122.75 2ken s ILE 48 Ca 0.20 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.30 2ken s ILE 48 Cb 0.06 -0.98 0.03 0.00 0.13 0.00 0.00 42.46 41.69 2ken s ILE 48 CO 0.01 -0.02 1.09 -0.54 -1.91 0.00 0.00 174.94 173.57 2ken s LYS 49 N -1.42 2.69 -0.07 3.50 1.02 -1.26 -0.48 119.74 123.72 2ken s LYS 49 Ca -0.10 0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.93 2ken s LYS 49 Cb -0.00 -2.04 0.06 0.00 -0.52 0.00 0.00 37.83 35.33 2ken s LYS 49 CO 0.08 -1.10 0.64 -0.59 -0.92 0.00 0.00 175.35 173.45 2ken s PHE 50 N -3.35 -0.62 -0.05 3.18 -0.12 -0.85 -2.65 117.98 113.52 2ken s PHE 50 Ca 0.58 1.12 0.01 0.00 -0.05 0.00 0.00 56.93 58.59 2ken s PHE 50 Cb -0.11 0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.66 2ken s PHE 50 CO 0.50 -0.55 -0.04 0.99 -0.05 0.00 0.00 175.22 176.07 2ken s THR 51 N -1.00 0.51 -0.19 -4.49 2.01 -1.02 -2.77 115.64 108.68 2ken s THR 51 Ca -0.10 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 2ken s THR 51 Cb -0.01 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2ken s THR 51 CO 0.08 0.22 0.04 -0.63 -0.69 0.00 0.00 174.62 173.64 2ken s ILE 52 N 1.02 4.49 0.14 1.82 1.01 -1.00 -1.94 121.20 126.73 2ken s ILE 52 Ca -0.10 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 2ken s ILE 52 Cb -0.14 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.24 2ken s ILE 52 CO -0.01 0.45 0.61 0.26 0.00 0.00 0.00 174.94 176.25 2ken s TRP 53 N 0.55 3.69 0.50 3.97 0.52 -1.08 -2.41 118.94 124.69 2ken s TRP 53 Ca 0.02 1.23 0.14 0.00 0.02 0.00 0.00 56.10 57.51 2ken s TRP 53 Cb -0.13 -2.49 1.18 0.00 -1.15 0.00 0.00 33.47 30.88 2ken s TRP 53 CO 0.02 0.46 2.12 -0.22 0.02 0.00 0.00 176.95 179.35 2ken h LYS 54 N 3.88 0.08 0.00 4.98 1.63 -1.81 -1.06 116.57 124.27 2ken h LYS 54 Ca -0.49 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2ken h LYS 54 Cb 1.20 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2ken h LYS 54 CO 0.65 0.07 0.01 0.09 -3.45 0.00 0.00 179.45 176.82 2ken n ASN 55 N -4.50 0.00 -0.06 4.20 3.02 -1.26 -0.39 115.26 116.26 2ken n ASN 55 Ca -0.02 0.15 -0.06 0.00 -0.03 0.00 0.00 54.58 54.62 2ken n ASN 55 Cb 0.10 -0.15 -0.15 0.00 -0.61 0.00 0.00 39.78 38.97 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ken n ALA 56 N -1.14 1.72 -3.83 5.41 0.00 -0.40 -4.36 120.51 117.92 2ken n ALA 56 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 53.44 52.11 2ken n ALA 56 Cb 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.01 2ken n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ken n GLU 57 N -2.75 -2.37 -4.19 0.00 4.71 0.47 -4.86 120.64 111.65 2ken n GLU 57 Ca -0.24 0.42 -0.28 0.00 -0.01 0.00 0.00 57.16 57.06 2ken n GLU 57 Cb 1.03 -4.30 -0.08 0.00 -1.01 0.00 0.00 31.44 27.07 2ken n GLU 57 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ken s LEU 58 N -6.76 3.29 0.56 -4.62 1.43 -1.26 -5.10 118.68 106.21 2ken s LEU 58 Ca 0.23 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 2ken s LEU 58 Cb -0.09 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2ken s LEU 58 CO 0.88 0.12 1.14 -2.65 0.23 0.00 0.00 176.35 176.06 2ken n PRO 59 N 0.17 1.27 -2.40 1.29 -0.02 -1.26 -4.96 135.00 129.09 2ken n PRO 59 Ca -0.11 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.50 2ken n PRO 59 Cb 0.54 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.46 3.85 0.20 2.45 1.43 -1.26 -5.02 118.68 117.87 2ken s LEU 60 Ca 0.73 2.08 -0.19 0.00 -1.03 0.00 0.00 54.13 55.72 2ken s LEU 60 Cb -0.44 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.20 2ken s LEU 60 CO 0.49 -0.95 0.68 -0.76 0.23 0.00 0.00 176.35 176.04 2ken s LEU 61 N -3.49 4.35 -0.03 1.79 1.02 -1.26 -5.06 118.68 116.00 2ken s LEU 61 Ca 0.68 1.34 -0.13 0.00 0.02 0.00 0.00 54.13 56.04 2ken s LEU 61 Cb -0.21 -3.48 -0.05 0.00 0.02 0.00 0.00 46.19 42.47 2ken s LEU 61 CO 0.25 0.06 0.34 -1.61 0.02 0.00 0.00 176.35 175.42 2ken s GLU 62 N -1.92 3.82 0.26 1.70 2.02 -1.26 -5.05 118.70 118.28 2ken s GLU 62 Ca 0.41 0.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.39 2ken s GLU 62 Cb -0.17 -3.22 -0.09 0.00 0.10 0.00 0.00 34.13 30.75 2ken s GLU 62 CO 0.21 0.69 1.21 -1.14 0.02 0.00 0.00 175.26 176.25 2ken s GLN 63 N -1.00 4.49 0.00 1.61 0.74 -1.26 -2.61 119.66 121.63 2ken s GLN 63 Ca 0.22 1.97 0.00 0.00 0.05 0.00 0.00 55.36 57.60 2ken s GLN 63 Cb -0.15 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2ken s GLN 63 CO 0.11 -0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 2ken n GLY 64 N 1.52 2.54 3.94 2.59 0.00 -0.57 -4.98 105.19 110.23 2ken n GLY 64 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.36 3.50 0.23 1.61 0.41 -1.07 -4.82 118.70 118.19 2ken s GLU 65 Ca 0.00 -0.30 -0.11 0.00 -0.41 0.00 0.00 54.97 54.15 2ken s GLU 65 Cb 0.00 -2.68 -0.07 0.00 -1.78 0.00 0.00 34.13 29.60 2ken s GLU 65 CO 0.00 0.18 0.57 -1.54 -0.49 0.00 0.00 175.26 173.97 2ken s SER 66 N -3.88 6.67 -0.02 -0.19 1.04 -1.26 -2.86 113.70 113.20 2ken s SER 66 Ca 0.40 0.98 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 2ken s SER 66 Cb -0.10 -2.25 0.01 0.00 0.10 0.00 0.00 66.02 63.78 2ken s SER 66 CO 0.35 -0.06 0.14 -0.31 0.98 0.00 0.00 173.24 174.33 2ken s TYR 67 N -1.78 -0.03 -0.13 5.02 2.02 -0.06 -2.71 117.35 119.67 2ken s TYR 67 Ca 0.47 0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 57.23 2ken s TYR 67 Cb -0.12 -0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.42 2ken s TYR 67 CO 0.20 -0.20 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.70 2ken s LEU 68 N -0.79 2.80 -0.23 -1.29 2.96 0.00 -2.55 118.68 119.58 2ken s LEU 68 Ca -0.09 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2ken s LEU 68 Cb -0.05 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.05 2ken s LEU 68 CO 0.01 0.18 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.32 2ken s LEU 69 N 0.28 3.02 0.11 -0.68 1.02 -0.88 -1.61 118.68 119.94 2ken s LEU 69 Ca -0.09 -1.11 0.04 0.00 0.02 0.00 0.00 54.13 52.99 2ken s LEU 69 Cb -0.15 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 2ken s LEU 69 CO 0.05 -0.13 0.09 -0.13 0.02 0.00 0.00 176.35 176.25 2ken s ARG 70 N 1.18 2.85 -1.10 1.70 0.52 -1.01 -2.63 118.95 120.46 2ken s ARG 70 Ca -0.04 -0.76 -0.09 0.00 -0.52 0.00 0.00 55.73 54.32 2ken s ARG 70 Cb -0.17 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2ken s ARG 70 CO -0.07 0.54 0.88 0.43 0.02 0.00 0.00 175.30 177.09 2ken n SER 71 N 0.22 -5.60 -4.72 0.23 7.64 -1.25 -2.51 113.62 107.63 2ken n SER 71 Ca -0.09 -0.80 -0.23 0.00 1.01 0.00 0.00 58.87 58.76 2ken n SER 71 Cb 0.53 -4.62 -0.07 0.00 -1.01 0.00 0.00 64.21 59.04 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 -3.43 2.96 0.08 0.44 -7.23 -1.08 -4.18 120.40 107.97 2ken s VAL 72 Ca 0.40 -1.74 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2ken s VAL 72 Cb -0.08 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 2ken s VAL 72 CO 0.78 -0.18 -0.22 0.54 -0.31 0.00 0.00 175.10 175.70 2ken s VAL 73 N -2.44 1.80 -0.07 1.32 0.11 -1.16 -2.59 120.40 117.36 2ken s VAL 73 Ca 0.37 -1.43 -0.22 0.00 -2.93 0.00 0.00 61.98 57.78 2ken s VAL 73 Cb -0.02 -1.59 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 2ken s VAL 73 CO 0.22 0.09 0.64 -0.69 -3.33 0.00 0.00 175.10 172.04 2ken s VAL 74 N -0.98 5.06 0.03 2.04 1.01 -0.89 -0.95 120.40 125.73 2ken s VAL 74 Ca 0.08 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.39 2ken s VAL 74 Cb -0.10 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2ken s VAL 74 CO 0.03 0.28 0.08 -0.83 0.00 0.00 0.00 175.10 174.67 2ken s GLY 75 N 0.67 2.02 -0.52 4.51 0.00 0.93 -0.09 107.32 114.83 2ken s GLY 75 Ca 0.34 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.95 2ken s GLY 75 CO 0.16 -0.86 0.56 1.85 0.00 0.00 0.00 173.10 174.82 2ken s GLU 76 N -2.02 3.04 -0.43 2.90 2.12 -1.26 -2.42 118.70 120.63 2ken s GLU 76 Ca 0.26 -1.24 -0.14 0.00 0.36 0.00 0.00 54.97 54.20 2ken s GLU 76 Cb -0.12 -4.18 0.05 0.00 0.26 0.00 0.00 34.13 30.14 2ken s GLU 76 CO 0.18 -1.26 0.31 -0.47 -0.54 0.00 0.00 175.26 173.48 2ken s TYR 77 N 2.22 3.25 0.00 5.30 5.04 -0.66 -4.99 117.35 127.51 2ken s TYR 77 Ca 0.09 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 2ken s TYR 77 Cb -0.23 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.25 2ken s TYR 77 CO 0.08 -0.71 0.00 -1.71 -1.34 0.00 0.00 175.55 171.87 2ken n ASN 78 N 5.12 0.00 0.06 4.32 5.15 -1.26 0.22 115.26 128.87 2ken n ASN 78 Ca -0.12 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.98 2ken n ASN 78 Cb 0.45 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.66 2ken n ASN 78 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2ken n ASP 79 N 2.83 0.56 -4.95 1.20 8.00 -1.26 -4.93 116.55 117.99 2ken n ASP 79 Ca 0.00 0.14 -0.23 0.00 0.71 0.00 0.00 54.79 55.42 2ken n ASP 79 Cb 0.00 0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 42.04 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 -3.38 3.46 0.15 -1.24 0.52 0.13 -5.11 118.95 113.49 2ken s ARG 80 Ca -0.02 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 2ken s ARG 80 Cb 0.12 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 2ken s ARG 80 CO 0.83 0.31 -0.02 -0.06 0.02 0.00 0.00 175.30 176.38 2ken s PHE 81 N -2.11 2.85 0.17 -0.53 0.08 -1.26 -1.65 117.98 115.52 2ken s PHE 81 Ca 0.37 -0.12 -0.14 0.00 0.12 0.00 0.00 56.93 57.16 2ken s PHE 81 Cb -0.09 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2ken s PHE 81 CO 0.32 0.50 0.40 1.14 -0.10 0.00 0.00 175.22 177.48 2ken s GLN 82 N -2.73 1.23 -0.21 0.44 -2.07 -1.02 -4.35 119.66 110.96 2ken s GLN 82 Ca 0.26 -0.97 -0.08 0.00 -1.82 0.00 0.00 55.36 52.75 2ken s GLN 82 Cb -0.10 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 2ken s GLN 82 CO 0.18 -0.49 0.09 0.14 -1.32 0.00 0.00 175.29 173.89 2ken s VAL 83 N -3.90 4.90 -0.19 3.63 -7.23 -1.08 -0.05 120.40 116.48 2ken s VAL 83 Ca 0.11 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.23 2ken s VAL 83 Cb 0.01 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2ken s VAL 83 CO -0.03 0.41 0.05 -1.10 -0.31 0.00 0.00 175.10 174.11 2ken s GLN 84 N 0.77 3.88 -0.15 4.82 -0.21 -0.12 -2.43 119.66 126.22 2ken s GLN 84 Ca 0.05 -0.39 -0.06 0.00 0.02 0.00 0.00 55.36 54.98 2ken s GLN 84 Cb -0.13 -3.17 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 2ken s GLN 84 CO 0.02 0.21 0.07 0.08 -2.12 0.00 0.00 175.29 173.55 2ken s VAL 85 N 0.51 4.84 0.16 1.09 1.01 -0.82 -3.00 120.40 124.19 2ken s VAL 85 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2ken s VAL 85 Cb -0.13 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 2ken s VAL 85 CO 0.01 0.53 0.20 -0.46 0.00 0.00 0.00 175.10 175.38 2ken n ASN 86 N 2.90 -0.54 -4.02 3.32 0.23 -1.26 -2.62 115.26 113.26 2ken n ASN 86 Ca -0.18 -1.90 -0.32 0.00 -0.53 0.00 0.00 54.58 51.65 2ken n ASN 86 Cb 0.53 1.06 0.08 0.00 -2.08 0.00 0.00 39.78 39.37 2ken n ASN 86 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2ken n LYS 87 N -0.27 -0.67 0.00 -3.83 -0.00 -1.26 -1.52 118.16 110.60 2ken n LYS 87 Ca 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2ken n LYS 87 Cb 0.27 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 2ken n LYS 87 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2ken n ASN 88 N 1.54 0.00 -4.89 -5.58 5.15 -1.26 -4.90 115.26 105.32 2ken n ASN 88 Ca -0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 2ken n ASN 88 Cb 0.62 -0.07 0.07 0.00 -0.53 0.00 0.00 39.78 39.87 2ken n ASN 88 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2ken s SER 89 N -0.21 5.03 0.06 1.20 1.04 -0.58 -4.89 113.70 115.36 2ken s SER 89 Ca 0.00 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 57.39 2ken s SER 89 Cb 0.00 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.44 2ken s SER 89 CO 0.00 -1.59 0.01 -0.94 0.98 0.00 0.00 173.24 171.70 2ken s SER 90 N -4.45 0.42 -0.02 7.02 1.04 -1.05 -4.98 113.70 111.68 2ken s SER 90 Ca 0.60 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2ken s SER 90 Cb -0.11 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2ken s SER 90 CO 0.51 -0.63 0.01 -0.63 0.98 0.00 0.00 173.24 173.48 2ken s ILE 91 N -3.92 0.02 -0.06 -1.02 1.01 -1.26 -2.40 121.20 113.56 2ken s ILE 91 Ca 0.08 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.88 2ken s ILE 91 Cb 0.07 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.44 2ken s ILE 91 CO -0.09 0.08 -0.12 -0.70 0.00 0.00 0.00 174.94 174.11 2ken s GLU 92 N 0.81 1.69 0.29 2.79 2.12 -0.63 -4.96 118.70 120.81 2ken s GLU 92 Ca -0.07 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 54.60 2ken s GLU 92 Cb -0.10 -1.40 -0.09 0.00 0.26 0.00 0.00 34.13 32.80 2ken s GLU 92 CO -0.02 0.03 0.89 0.21 -0.54 0.00 0.00 175.26 175.83 2ken s LYS 93 N 0.65 4.50 0.06 4.30 2.20 -1.26 -0.82 119.74 129.37 2ken s LYS 93 Ca -0.14 1.21 0.09 0.00 -0.36 0.00 0.00 55.97 56.77 2ken s LYS 93 Cb -0.16 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2ken s LYS 93 CO 0.04 0.31 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.58 2ken s LEU 94 N -2.01 2.26 -0.05 5.43 1.02 -1.10 -4.93 118.68 119.30 2ken s LEU 94 Ca 0.48 -0.58 0.05 0.00 0.02 0.00 0.00 54.13 54.10 2ken s LEU 94 Cb -0.18 -1.32 0.24 0.00 0.02 0.00 0.00 46.19 44.95 2ken s LEU 94 CO 0.23 0.25 0.98 -1.54 0.02 0.00 0.00 176.35 176.29 2ken n SER 95 N 1.62 2.10 -4.13 2.29 3.41 -1.26 -4.22 113.62 113.44 2ken n SER 95 Ca -0.17 -2.20 -0.33 0.00 -0.26 0.00 0.00 58.87 55.91 2ken n SER 95 Cb 0.52 -0.43 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.60 2.90 0.65 4.33 2.12 -1.26 -5.07 118.70 120.77 2ken s GLU 96 Ca 0.17 -0.90 -0.13 0.00 0.36 0.00 0.00 54.97 54.47 2ken s GLU 96 Cb 0.12 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.84 2ken s GLU 96 CO 0.07 -0.27 1.05 -1.25 -0.54 0.00 0.00 175.26 174.33 2ken s PRO 97 N 1.28 3.14 -0.10 4.30 0.04 -1.26 -4.40 135.00 137.99 2ken s PRO 97 Ca 0.03 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2ken s PRO 97 Cb -0.14 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2ken s PRO 97 CO -0.11 -0.94 -0.02 0.42 0.04 0.00 0.00 177.00 176.38 2ken s ILE 98 N -2.81 4.06 -0.25 0.56 -1.09 -1.26 -5.01 121.20 115.40 2ken s ILE 98 Ca 0.60 -0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 58.55 2ken s ILE 98 Cb -0.14 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2ken s ILE 98 CO 0.47 0.57 0.35 -0.70 -1.23 0.00 0.00 174.94 174.40 2ken s GLU 99 N -0.52 4.06 -0.69 2.79 2.12 -1.26 -4.94 118.70 120.26 2ken s GLU 99 Ca 0.08 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.50 2ken s GLU 99 Cb -0.12 -3.61 0.17 0.00 0.26 0.00 0.00 34.13 30.83 2ken s GLU 99 CO 0.02 -0.17 0.48 0.08 -0.54 0.00 0.00 175.26 175.14 2ken s VAL 100 N 1.72 2.81 -0.13 3.70 1.01 -1.26 -4.62 120.40 123.63 2ken s VAL 100 Ca 0.15 -4.20 0.18 0.00 0.00 0.00 0.00 61.98 58.11 2ken s VAL 100 Cb -0.15 -2.85 0.29 0.00 0.00 0.00 0.00 36.38 33.66 2ken s VAL 100 CO 0.09 -1.00 1.16 0.61 0.00 0.00 0.00 175.10 175.95 2ken n GLY 101 N 2.04 4.70 0.35 4.51 0.00 -1.26 -4.71 105.19 110.82 2ken n GLY 101 Ca 0.19 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2ken n GLY 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ken h LEU 102 N 0.14 1.06 -0.47 0.99 5.85 -1.88 -1.84 115.31 119.15 2ken h LEU 102 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2ken h LEU 102 Cb 1.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2ken h LEU 102 CO 0.02 0.88 0.34 -0.62 -0.34 0.00 0.00 178.44 178.72 2ken n GLU 103 N -4.31 0.05 -3.14 1.25 1.02 -1.26 -4.32 120.64 109.93 2ken n GLU 103 Ca 0.08 0.45 -0.39 0.00 -0.02 0.00 0.00 57.16 57.28 2ken n GLU 103 Cb 0.13 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.49 2ken n GLU 103 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2ken s HIS 104 N -3.00 3.49 -0.29 -0.32 3.76 -0.69 -4.93 115.29 113.31 2ken s HIS 104 Ca -0.01 1.05 0.19 0.00 -0.15 0.00 0.00 55.06 56.14 2ken s HIS 104 Cb 0.02 -2.73 0.47 0.00 1.11 0.00 0.00 32.58 31.45 2ken s HIS 104 CO 0.06 0.02 1.29 -2.39 -0.85 0.00 0.00 174.74 172.88 2ken n HIS 105 N 4.17 -0.12 -2.96 1.40 1.44 -1.26 -5.06 115.22 112.83 2ken n HIS 105 Ca -0.03 -1.97 -0.01 0.00 -2.01 0.00 0.00 57.72 53.70 2ken n HIS 105 Cb 0.51 0.51 -0.01 0.00 0.12 0.00 0.00 29.99 31.12 2ken n HIS 105 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2ken n HIS 106 N -0.99 -1.73 0.10 -1.40 -0.00 -1.26 -4.97 115.22 104.97 2ken n HIS 106 Ca -0.03 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.53 2ken n HIS 106 Cb 0.83 -2.24 0.00 0.00 -0.00 0.00 0.00 29.99 28.58 2ken n HIS 106 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ken n HIS 107 N 1.38 -2.24 -3.70 1.57 -0.00 -1.26 -5.13 115.22 105.84 2ken n HIS 107 Ca -0.05 0.48 -0.13 0.00 -0.00 0.00 0.00 57.72 58.01 2ken n HIS 107 Cb 0.29 1.25 -0.09 0.00 -0.00 0.00 0.00 29.99 31.44 2ken n HIS 107 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ken s HIS 108 N -2.00 -0.58 -2.00 1.57 5.65 -1.26 -5.31 115.29 111.37 2ken s HIS 108 Ca 0.00 1.41 0.17 0.00 0.25 0.00 0.00 55.06 56.89 2ken s HIS 108 Cb 0.00 0.20 1.04 0.00 -1.18 0.00 0.00 32.58 32.64 2ken s HIS 108 CO 0.00 -0.28 1.44 0.72 -0.65 0.00 0.00 174.74 175.98