#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 3.87 0.74 2.12 2.02 -1.26 -5.06 118.70 121.14 2ken s GLU 2 Ca 0.00 0.55 -0.13 0.00 0.02 0.00 0.00 54.97 55.42 2ken s GLU 2 Cb 0.00 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.86 2ken s GLU 2 CO 0.00 0.05 1.11 -1.25 0.02 0.00 0.00 175.26 175.19 2ken s PRO 3 N -3.48 2.35 -0.31 0.39 0.04 -1.26 -4.96 135.00 127.77 2ken s PRO 3 Ca 0.52 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 2ken s PRO 3 Cb -0.10 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2ken s PRO 3 CO 0.25 -1.59 1.11 -0.65 0.04 0.00 0.00 177.00 176.16 2ken s GLN 4 N -4.49 4.05 -0.13 4.56 -0.21 -1.26 -5.00 119.66 117.17 2ken s GLN 4 Ca 0.65 1.11 -0.18 0.00 0.02 0.00 0.00 55.36 56.97 2ken s GLN 4 Cb -0.20 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.01 2ken s GLN 4 CO 0.50 -0.93 0.46 -0.51 -2.12 0.00 0.00 175.29 172.69 2ken s LEU 5 N 3.75 4.26 0.03 2.90 1.43 -1.26 -2.24 118.68 127.55 2ken s LEU 5 Ca 0.47 0.76 0.07 0.00 -1.03 0.00 0.00 54.13 54.40 2ken s LEU 5 Cb -0.13 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2ken s LEU 5 CO 0.16 -0.00 -0.19 -0.89 0.23 0.00 0.00 176.35 175.66 2ken s THR 6 N 0.70 1.53 0.12 5.49 2.01 -1.09 -4.93 115.64 119.47 2ken s THR 6 Ca 0.25 -1.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 2ken s THR 6 Cb -0.15 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.97 2ken s THR 6 CO 0.09 0.21 0.46 -0.54 -0.69 0.00 0.00 174.62 174.15 2ken s LYS 7 N -1.03 3.80 0.21 4.92 -0.14 -1.26 -4.73 119.74 121.52 2ken s LYS 7 Ca 0.06 0.24 -0.10 0.00 -1.36 0.00 0.00 55.97 54.81 2ken s LYS 7 Cb -0.08 -2.92 0.16 0.00 -1.68 0.00 0.00 37.83 33.31 2ken s LYS 7 CO 0.01 0.50 1.88 0.82 -0.76 0.00 0.00 175.35 177.80 2ken h ILE 8 N 2.64 1.20 0.00 2.17 2.04 -1.97 0.87 117.51 124.46 2ken h ILE 8 Ca -0.48 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2ken h ILE 8 Cb 1.19 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2ken h ILE 8 CO 0.67 0.19 0.00 0.55 0.00 0.00 0.00 178.15 179.57 2ken n VAL 9 N -4.55 1.32 -0.23 1.67 3.14 -1.26 -0.89 118.33 117.52 2ken n VAL 9 Ca 0.07 0.33 0.10 0.00 -2.96 0.00 0.00 64.34 61.88 2ken n VAL 9 Cb 0.02 -1.22 0.26 0.00 -1.06 0.00 0.00 33.84 31.84 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 -1.43 3.59 -4.68 6.55 8.00 0.29 -4.93 116.55 123.95 2ken n ASP 10 Ca 0.02 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 2ken n ASP 10 Cb 0.07 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.05 4.96 0.00 0.53 1.01 -0.07 -4.85 121.20 121.72 2ken s ILE 11 Ca 0.40 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.51 2ken s ILE 11 Cb 0.21 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2ken s ILE 11 CO 0.28 0.10 0.33 1.33 0.00 0.00 0.00 174.94 176.98 2ken n VAL 12 N 4.53 0.00 -3.82 2.92 0.24 -1.26 -5.08 118.33 115.86 2ken n VAL 12 Ca 0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 2ken n VAL 12 Cb 0.50 0.93 -0.13 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.13 0.28 7.34 2.56 -1.26 -5.16 118.70 122.59 2ken s GLU 13 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 54.97 55.19 2ken s GLU 13 Cb 0.00 0.04 -0.03 0.00 2.00 0.00 0.00 34.13 36.14 2ken s GLU 13 CO 0.00 -0.04 0.43 0.54 -0.56 0.00 0.00 175.26 175.64 2ken s ASN 14 N 0.20 6.32 0.00 -1.70 2.20 -1.26 -4.30 114.94 116.39 2ken s ASN 14 Ca -0.01 0.25 0.00 0.00 -0.94 0.00 0.00 52.86 52.16 2ken s ASN 14 Cb -0.02 -1.94 0.00 0.00 -2.00 0.00 0.00 41.25 37.29 2ken s ASN 14 CO -0.01 -0.15 0.00 0.61 -2.94 0.00 0.00 177.10 174.61 2ken n GLY 15 N -1.47 0.55 3.92 0.45 0.00 0.12 -4.95 105.19 103.82 2ken n GLY 15 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.10 3.58 -0.12 1.61 -2.07 -1.26 -4.82 119.66 116.47 2ken s GLN 16 Ca 0.00 -0.15 -0.03 0.00 -1.82 0.00 0.00 55.36 53.37 2ken s GLN 16 Cb 0.00 -2.70 -0.03 0.00 -1.09 0.00 0.00 33.01 29.19 2ken s GLN 16 CO 0.00 0.25 -0.02 -1.58 -1.32 0.00 0.00 175.29 172.62 2ken s TRP 17 N -2.07 3.07 0.27 9.60 0.52 -1.26 -2.63 118.94 126.44 2ken s TRP 17 Ca 0.42 -0.06 -0.10 0.00 0.02 0.00 0.00 56.10 56.37 2ken s TRP 17 Cb -0.11 -1.87 0.04 0.00 -1.15 0.00 0.00 33.47 30.38 2ken s TRP 17 CO 0.31 0.20 0.55 0.00 0.02 0.00 0.00 176.95 178.02 2ken n ALA 18 N 2.88 -1.23 -2.40 0.98 0.00 -1.09 -4.98 120.51 114.67 2ken n ALA 18 Ca -0.18 -0.86 -0.28 0.00 0.00 0.00 0.00 53.44 52.12 2ken n ALA 18 Cb 0.53 0.69 -0.15 0.00 0.00 0.00 0.00 19.45 20.52 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 -2.42 2.75 -0.03 0.00 2.47 -0.95 -2.62 114.94 114.14 2ken s ASN 19 Ca 0.11 -0.50 -0.00 0.00 0.42 0.00 0.00 52.86 52.88 2ken s ASN 19 Cb -0.03 -0.26 0.03 0.00 -1.45 0.00 0.00 41.25 39.53 2ken s ASN 19 CO 0.08 0.23 0.02 -0.22 -3.72 0.00 0.00 177.10 173.50 2ken s LEU 20 N -0.97 0.96 -0.12 3.21 1.98 -0.95 -2.68 118.68 120.12 2ken s LEU 20 Ca 0.09 0.02 -0.00 0.00 -2.89 0.00 0.00 54.13 51.35 2ken s LEU 20 Cb -0.09 -0.14 -0.02 0.00 0.66 0.00 0.00 46.19 46.60 2ken s LEU 20 CO 0.01 -0.14 -0.10 -0.75 -1.89 0.00 0.00 176.35 173.48 2ken s LYS 21 N 1.24 3.24 0.03 1.98 2.20 -1.26 -2.15 119.74 125.02 2ken s LYS 21 Ca -0.07 -0.63 -0.10 0.00 -0.36 0.00 0.00 55.97 54.82 2ken s LYS 21 Cb -0.13 -2.65 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2ken s LYS 21 CO -0.03 0.34 0.45 0.00 -0.36 0.00 0.00 175.35 175.75 2ken n ALA 22 N 3.18 -1.21 -2.62 3.13 0.00 -1.06 -4.93 120.51 116.99 2ken n ALA 22 Ca -0.18 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 2ken n ALA 22 Cb 0.53 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 20.04 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 2.25 -0.37 0.00 -2.85 -1.14 -0.88 119.74 114.73 2ken s LYS 23 Ca 0.10 -1.20 -0.19 0.00 -1.00 0.00 0.00 55.97 53.68 2ken s LYS 23 Cb -0.01 -2.26 0.01 0.00 -2.06 0.00 0.00 37.83 33.51 2ken s LYS 23 CO 0.01 0.44 0.58 0.08 0.10 0.00 0.00 175.35 176.56 2ken s VAL 24 N -1.76 4.94 0.20 1.79 1.01 -1.13 0.66 120.40 126.12 2ken s VAL 24 Ca 0.27 0.35 0.18 0.00 0.00 0.00 0.00 61.98 62.77 2ken s VAL 24 Cb -0.09 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.36 2ken s VAL 24 CO 0.17 -0.33 1.74 0.40 0.00 0.00 0.00 175.10 177.07 2ken h ILE 25 N 5.69 0.96 -1.76 2.22 1.08 -1.63 -2.35 117.51 121.73 2ken h ILE 25 Ca -0.27 -1.54 0.26 0.00 -0.39 0.00 0.00 64.86 62.92 2ken h ILE 25 Cb 1.11 1.92 -0.12 0.00 -3.07 0.00 0.00 36.82 36.66 2ken h ILE 25 CO 0.82 0.39 0.71 -1.10 -0.69 0.00 0.00 178.15 178.27 2ken s GLN 26 N -3.66 0.63 0.08 2.37 -1.52 -1.25 -4.83 119.66 111.47 2ken s GLN 26 Ca -0.00 -0.32 0.00 0.00 -1.95 0.00 0.00 55.36 53.08 2ken s GLN 26 Cb 0.11 0.23 -0.04 0.00 -0.22 0.00 0.00 33.01 33.09 2ken s GLN 26 CO 0.69 -0.28 -0.03 -0.51 -0.25 0.00 0.00 175.29 174.91 2ken s LEU 27 N -2.79 2.39 -0.24 2.90 1.43 -1.26 -2.70 118.68 118.41 2ken s LEU 27 Ca 0.12 -1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 2ken s LEU 27 Cb 0.02 0.10 0.08 0.00 0.03 0.00 0.00 46.19 46.42 2ken s LEU 27 CO -0.03 -0.57 0.07 0.86 0.23 0.00 0.00 176.35 176.91 2ken s TRP 28 N -3.82 1.08 -0.15 0.29 -0.00 0.15 -4.89 118.94 111.60 2ken s TRP 28 Ca 0.12 -1.09 -0.29 0.00 -0.00 0.00 0.00 56.10 54.83 2ken s TRP 28 Cb 0.07 -1.19 -0.02 0.00 -0.00 0.00 0.00 33.47 32.33 2ken s TRP 28 CO -0.06 -0.72 1.34 -2.00 -0.00 0.00 0.00 176.95 175.51 2ken s GLU 29 N 1.84 4.21 0.65 5.86 2.56 -1.26 -2.40 118.70 130.15 2ken s GLU 29 Ca 0.04 1.75 0.04 0.00 0.00 0.00 0.00 54.97 56.79 2ken s GLU 29 Cb -0.17 -3.81 0.11 0.00 2.00 0.00 0.00 34.13 32.25 2ken s GLU 29 CO -0.17 -0.75 0.89 0.54 -0.56 0.00 0.00 175.26 175.21 2ken s ASN 30 N 2.29 4.71 0.00 -1.70 4.22 -1.18 -5.03 114.94 118.25 2ken s ASN 30 Ca 0.58 -0.58 0.00 0.00 -2.14 0.00 0.00 52.86 50.73 2ken s ASN 30 Cb -0.24 0.11 0.00 0.00 1.28 0.00 0.00 41.25 42.40 2ken s ASN 30 CO 0.18 -1.60 0.30 0.35 -2.04 0.00 0.00 177.10 174.29 2ken n THR 31 N -2.55 0.05 -2.73 0.54 -2.24 -1.26 -5.01 114.28 101.07 2ken n THR 31 Ca 0.15 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 2ken n THR 31 Cb 0.61 1.41 0.03 0.00 -2.10 0.00 0.00 70.33 70.29 2ken n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ken s HIS 32 N -0.05 2.76 -0.11 4.78 3.76 -1.26 -5.04 115.29 120.14 2ken s HIS 32 Ca 0.00 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 2ken s HIS 32 Cb 0.00 -2.66 -0.27 0.00 1.11 0.00 0.00 32.58 30.76 2ken s HIS 32 CO 0.00 -0.81 0.47 1.49 -0.85 0.00 0.00 174.74 175.04 2ken h GLU 33 N 0.18 0.27 -3.79 1.40 4.81 -2.00 -3.39 114.58 112.06 2ken h GLU 33 Ca -0.41 -0.47 -0.61 0.00 -0.13 0.00 0.00 59.36 57.75 2ken h GLU 33 Cb 1.29 0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.86 2ken h GLU 33 CO 0.50 1.22 2.94 0.43 -0.73 0.00 0.00 179.01 183.37 2ken n SER 34 N -3.69 4.77 0.00 1.04 7.64 -1.26 -4.46 113.62 117.67 2ken n SER 34 Ca -0.29 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2ken n SER 34 Cb 0.99 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2ken n SER 34 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2ken n ILE 35 N 4.82 0.00 -0.09 0.44 5.41 -1.26 -5.04 119.36 123.64 2ken n ILE 35 Ca 0.55 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 64.21 2ken n ILE 35 Cb 0.30 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.19 2ken n ILE 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2ken n SER 36 N 0.00 1.87 -3.86 4.38 2.88 0.37 -4.52 113.62 114.74 2ken n SER 36 Ca 0.00 0.48 -0.11 0.00 -1.33 0.00 0.00 58.87 57.91 2ken n SER 36 Cb 0.00 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 2ken n SER 36 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2ken s GLN 37 N -2.52 0.48 -0.06 -1.46 -1.52 -1.14 -3.09 119.66 110.35 2ken s GLN 37 Ca -0.23 -0.35 0.01 0.00 -1.95 0.00 0.00 55.36 52.84 2ken s GLN 37 Cb 0.04 0.20 0.02 0.00 -0.22 0.00 0.00 33.01 33.05 2ken s GLN 37 CO 0.35 -0.11 -0.06 0.08 -0.25 0.00 0.00 175.29 175.29 2ken s VAL 38 N -1.29 0.73 0.00 1.09 1.01 -1.01 -0.99 120.40 119.94 2ken s VAL 38 Ca -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2ken s VAL 38 Cb -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2ken s VAL 38 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2ken n GLY 39 N 4.16 3.63 3.15 4.51 0.00 -1.11 0.34 105.19 119.87 2ken n GLY 39 Ca -0.22 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 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 2.26 -0.18 0.99 1.02 -1.10 -2.38 118.68 119.29 2ken s LEU 40 Ca 0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.52 2ken s LEU 40 Cb 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 46.19 45.72 2ken s LEU 40 CO 0.00 -0.08 -0.02 -0.76 0.02 0.00 0.00 176.35 175.51 2ken s LEU 41 N -1.64 3.24 -0.59 1.79 1.43 0.03 -1.59 118.68 121.35 2ken s LEU 41 Ca -0.03 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 2ken s LEU 41 Cb -0.10 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.41 2ken s LEU 41 CO 0.02 0.11 0.74 -0.83 0.23 0.00 0.00 176.35 176.62 2ken s GLY 42 N 0.74 1.71 0.28 -3.19 0.00 0.21 -2.58 107.32 104.49 2ken s GLY 42 Ca -0.01 -2.12 0.07 0.00 0.00 0.00 0.00 44.72 42.66 2ken s GLY 42 CO 0.02 1.65 0.26 0.51 0.00 0.00 0.00 173.10 175.54 2ken s ASP 43 N 3.55 5.57 0.42 1.64 -4.77 0.34 -2.87 116.67 120.55 2ken s ASP 43 Ca 0.14 -0.28 0.29 0.00 -3.30 0.00 0.00 52.55 49.40 2ken s ASP 43 Cb -0.23 -1.32 1.26 0.00 -1.09 0.00 0.00 42.92 41.55 2ken s ASP 43 CO 0.07 -0.16 1.87 -0.08 0.70 0.00 0.00 175.17 177.58 2ken h GLU 44 N 1.35 0.00 -0.01 2.11 4.81 -1.92 -1.90 114.58 119.02 2ken h GLU 44 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2ken h GLU 44 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2ken h GLU 44 CO 0.60 0.00 -0.28 0.25 -0.73 0.00 0.00 179.01 178.85 2ken n THR 45 N -2.67 0.00 0.00 0.32 -2.24 -1.26 -5.02 114.28 103.41 2ken n THR 45 Ca 0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2ken n THR 45 Cb 0.24 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.35 0.24 3.31 3.38 0.00 -0.71 -4.85 105.19 107.90 2ken n GLY 46 Ca 0.12 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 0.06 0.13 -0.61 -0.00 -1.26 -0.50 121.20 115.01 2ken s ILE 47 Ca 0.00 -1.59 -0.25 0.00 -0.00 0.00 0.00 60.65 58.81 2ken s ILE 47 Cb 0.00 -2.03 0.07 0.00 -0.00 0.00 0.00 42.46 40.50 2ken s ILE 47 CO 0.00 -0.25 0.74 -0.51 -0.00 0.00 0.00 174.94 174.92 2ken s ILE 48 N -4.02 0.00 0.11 8.37 2.07 -1.06 -4.96 121.20 121.70 2ken s ILE 48 Ca 0.23 -0.23 -0.03 0.00 -1.41 0.00 0.00 60.65 59.20 2ken s ILE 48 Cb 0.04 -1.27 -0.05 0.00 0.13 0.00 0.00 42.46 41.32 2ken s ILE 48 CO 0.03 0.00 0.32 -0.54 -1.91 0.00 0.00 174.94 172.84 2ken s LYS 49 N -3.55 3.56 0.06 3.50 1.02 -1.26 -0.79 119.74 122.28 2ken s LYS 49 Ca 0.05 -0.21 -0.07 0.00 0.02 0.00 0.00 55.97 55.76 2ken s LYS 49 Cb -0.02 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2ken s LYS 49 CO -0.07 0.52 0.14 -0.59 -0.92 0.00 0.00 175.35 174.44 2ken s PHE 50 N -1.59 0.18 -0.04 3.18 -0.71 -1.00 -2.89 117.98 115.10 2ken s PHE 50 Ca 0.38 -0.54 0.03 0.00 -1.04 0.00 0.00 56.93 55.76 2ken s PHE 50 Cb -0.12 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 2ken s PHE 50 CO 0.25 -0.45 -0.10 0.99 -1.34 0.00 0.00 175.22 174.57 2ken s THR 51 N -3.24 0.91 -0.20 -4.49 2.01 -0.86 -2.74 115.64 107.03 2ken s THR 51 Ca 0.00 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.51 2ken s THR 51 Cb 0.02 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 2ken s THR 51 CO -0.08 0.29 0.09 -0.63 -0.69 0.00 0.00 174.62 173.60 2ken s ILE 52 N 0.31 4.95 0.12 1.82 -1.09 -0.16 -2.36 121.20 124.78 2ken s ILE 52 Ca -0.06 0.03 -0.26 0.00 -2.23 0.00 0.00 60.65 58.13 2ken s ILE 52 Cb -0.11 -3.26 -0.07 0.00 -1.58 0.00 0.00 42.46 37.45 2ken s ILE 52 CO 0.01 0.42 0.80 0.26 -1.23 0.00 0.00 174.94 175.20 2ken s TRP 53 N 0.64 3.83 0.37 3.97 0.52 -1.12 -0.48 118.94 126.67 2ken s TRP 53 Ca 0.05 1.60 0.06 0.00 0.02 0.00 0.00 56.10 57.84 2ken s TRP 53 Cb -0.13 -2.83 0.72 0.00 -1.15 0.00 0.00 33.47 30.09 2ken s TRP 53 CO 0.01 0.38 1.94 -0.22 0.02 0.00 0.00 176.95 179.08 2ken h LYS 54 N 4.98 0.45 0.00 4.98 3.64 -1.84 -1.18 116.57 127.61 2ken h LYS 54 Ca -0.45 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2ken h LYS 54 Cb 1.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2ken h LYS 54 CO 0.69 0.45 0.03 -1.71 -2.27 0.00 0.00 179.45 176.64 2ken n ASN 55 N -4.34 0.11 0.12 4.20 5.15 -1.26 0.05 115.26 119.29 2ken n ASN 55 Ca 0.01 0.53 0.07 0.00 -0.60 0.00 0.00 54.58 54.59 2ken n ASN 55 Cb 0.20 -0.54 0.02 0.00 -0.53 0.00 0.00 39.78 38.93 2ken n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ken h ALA 56 N 1.88 0.68 -5.90 5.20 0.00 -1.52 -3.42 119.26 116.17 2ken h ALA 56 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 54.25 2ken h ALA 56 Cb 0.07 0.05 0.12 0.00 0.00 0.00 0.00 17.79 18.03 2ken h ALA 56 CO 0.00 0.35 -0.87 0.39 0.00 0.00 0.00 179.25 179.13 2ken n GLU 57 N -2.93 -3.22 -4.11 0.00 1.02 0.11 -4.70 120.64 106.80 2ken n GLU 57 Ca -0.01 0.67 -0.31 0.00 -0.02 0.00 0.00 57.16 57.48 2ken n GLU 57 Cb 0.65 -5.13 -0.07 0.00 -0.02 0.00 0.00 31.44 26.87 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 -6.21 3.73 0.80 -4.62 1.43 -1.26 -5.11 118.68 107.44 2ken s LEU 58 Ca 0.27 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 2ken s LEU 58 Cb -0.07 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 43.91 2ken s LEU 58 CO 0.80 0.22 1.10 -2.16 0.23 0.00 0.00 176.35 176.54 2ken s PRO 59 N -2.07 2.03 0.29 1.29 0.04 -1.26 -4.97 135.00 130.34 2ken s PRO 59 Ca 0.26 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2ken s PRO 59 Cb -0.12 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2ken s PRO 59 CO 0.17 -1.83 1.32 -0.51 0.04 0.00 0.00 177.00 176.19 2ken s LEU 60 N -6.02 4.43 0.53 -3.56 1.43 -1.26 -5.00 118.68 109.23 2ken s LEU 60 Ca 0.63 2.60 -0.16 0.00 -1.03 0.00 0.00 54.13 56.17 2ken s LEU 60 Cb -0.18 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 2ken s LEU 60 CO 0.56 -0.54 1.00 -0.76 0.23 0.00 0.00 176.35 176.84 2ken s LEU 61 N -1.18 3.57 -0.26 1.79 1.02 -1.26 -5.04 118.68 117.32 2ken s LEU 61 Ca 0.52 1.57 -0.10 0.00 0.02 0.00 0.00 54.13 56.13 2ken s LEU 61 Cb -0.39 -4.51 -0.05 0.00 0.02 0.00 0.00 46.19 41.27 2ken s LEU 61 CO 0.47 -0.66 0.17 -0.70 0.02 0.00 0.00 176.35 175.65 2ken s GLU 62 N -4.20 3.97 0.33 1.70 -6.30 -1.26 -5.05 118.70 107.89 2ken s GLU 62 Ca 0.59 -0.32 -0.29 0.00 -2.50 0.00 0.00 54.97 52.45 2ken s GLU 62 Cb -0.10 -3.59 -0.11 0.00 0.00 0.00 0.00 34.13 30.33 2ken s GLU 62 CO 0.34 -0.09 1.44 -0.65 0.02 0.00 0.00 175.26 176.32 2ken s GLN 63 N 1.49 4.22 0.00 4.30 -0.21 -1.26 -1.92 119.66 126.28 2ken s GLN 63 Ca 0.07 2.41 0.00 0.00 0.02 0.00 0.00 55.36 57.86 2ken s GLN 63 Cb -0.15 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.83 2ken s GLN 63 CO 0.08 -0.42 0.00 0.41 -2.12 0.00 0.00 175.29 173.24 2ken n GLY 64 N 1.15 1.98 3.94 3.09 0.00 -0.88 -4.99 105.19 109.48 2ken n GLY 64 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.38 3.50 -0.21 1.61 2.12 -0.81 -4.83 118.70 119.70 2ken s GLU 65 Ca 0.00 -0.34 -0.15 0.00 0.36 0.00 0.00 54.97 54.84 2ken s GLU 65 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2ken s GLU 65 CO 0.00 0.21 0.35 -1.54 -0.54 0.00 0.00 175.26 173.74 2ken s SER 66 N -3.84 6.37 0.13 -1.70 1.04 -1.26 -2.83 113.70 111.60 2ken s SER 66 Ca 0.40 0.43 0.10 0.00 0.48 0.00 0.00 55.95 57.36 2ken s SER 66 Cb -0.10 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 2ken s SER 66 CO 0.34 -0.06 -0.23 -0.31 0.98 0.00 0.00 173.24 173.96 2ken s TYR 67 N 1.32 2.40 -0.17 5.02 2.02 -0.06 -2.84 117.35 125.03 2ken s TYR 67 Ca 0.17 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 2ken s TYR 67 Cb -0.15 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2ken s TYR 67 CO 0.07 0.36 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.19 2ken s LEU 68 N -2.10 3.04 -0.26 -1.29 2.96 -0.82 -2.56 118.68 117.65 2ken s LEU 68 Ca 0.16 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2ken s LEU 68 Cb -0.10 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2ken s LEU 68 CO 0.08 0.11 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.42 2ken s LEU 69 N 0.68 3.30 0.05 -0.68 1.43 -0.92 -2.56 118.68 119.98 2ken s LEU 69 Ca -0.03 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 2ken s LEU 69 Cb -0.15 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2ken s LEU 69 CO 0.02 -0.14 -0.04 -0.13 0.23 0.00 0.00 176.35 176.30 2ken s ARG 70 N 1.34 2.52 -1.09 1.70 0.52 -1.08 -2.23 118.95 120.64 2ken s ARG 70 Ca 0.00 -0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 54.35 2ken s ARG 70 Cb -0.17 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 2ken s ARG 70 CO -0.03 0.57 0.90 0.45 0.02 0.00 0.00 175.30 177.21 2ken n SER 71 N 1.04 -5.74 -4.74 0.23 2.88 -1.24 -2.52 113.62 103.53 2ken n SER 71 Ca -0.13 -0.75 -0.22 0.00 -1.33 0.00 0.00 58.87 56.43 2ken n SER 71 Cb 0.52 -4.89 -0.06 0.00 -0.75 0.00 0.00 64.21 59.04 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 -3.41 3.92 0.05 2.46 -7.23 -1.08 -4.08 120.40 111.03 2ken s VAL 72 Ca 0.39 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 2ken s VAL 72 Cb -0.07 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 2ken s VAL 72 CO 0.76 -0.35 -0.23 0.54 -0.31 0.00 0.00 175.10 175.51 2ken s VAL 73 N -2.24 1.86 -0.10 1.32 0.11 -1.20 -2.66 120.40 117.50 2ken s VAL 73 Ca 0.33 -1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 2ken s VAL 73 Cb -0.07 -1.61 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 2ken s VAL 73 CO 0.23 0.27 0.46 -0.69 -3.33 0.00 0.00 175.10 172.03 2ken s VAL 74 N -0.81 5.16 0.23 2.04 1.01 -1.08 -1.89 120.40 125.06 2ken s VAL 74 Ca 0.09 0.92 0.05 0.00 0.00 0.00 0.00 61.98 63.05 2ken s VAL 74 Cb -0.09 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2ken s VAL 74 CO 0.02 0.37 -0.06 -0.83 0.00 0.00 0.00 175.10 174.60 2ken s GLY 75 N 0.32 1.55 -0.12 4.51 0.00 -0.51 0.15 107.32 113.22 2ken s GLY 75 Ca 0.25 -1.75 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 2ken s GLY 75 CO 0.11 -1.72 0.26 -0.54 0.00 0.00 0.00 173.10 171.20 2ken s GLU 76 N -3.77 3.95 -0.07 2.90 2.02 -1.26 -1.92 118.70 120.55 2ken s GLU 76 Ca 0.26 0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.31 2ken s GLU 76 Cb 0.04 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2ken s GLU 76 CO 0.08 0.50 0.01 -0.47 0.02 0.00 0.00 175.26 175.40 2ken s TYR 77 N -0.30 0.61 -1.39 1.61 5.04 0.39 -4.85 117.35 118.46 2ken s TYR 77 Ca 0.17 -0.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.63 2ken s TYR 77 Cb -0.13 -0.77 0.02 0.00 0.35 0.00 0.00 41.96 41.42 2ken s TYR 77 CO 0.05 -0.32 0.66 -1.71 -1.34 0.00 0.00 175.55 172.89 2ken n ASN 78 N 5.16 -1.51 -1.56 4.32 2.85 -1.26 -0.26 115.26 123.00 2ken n ASN 78 Ca -0.07 -0.88 -0.20 0.00 -0.11 0.00 0.00 54.58 53.32 2ken n ASN 78 Cb 0.50 -3.67 -0.09 0.00 1.24 0.00 0.00 39.78 37.76 2ken n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ken n ASP 79 N -2.99 -5.46 -4.26 1.20 2.03 -1.26 -4.96 116.55 100.86 2ken n ASP 79 Ca -0.24 0.50 -0.19 0.00 0.52 0.00 0.00 54.79 55.39 2ken n ASP 79 Cb 0.65 -4.75 -0.11 0.00 -0.72 0.00 0.00 41.12 36.19 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 -3.73 1.08 0.22 -0.67 1.81 0.64 -5.12 118.95 113.18 2ken s ARG 80 Ca 0.00 -1.29 -0.30 0.00 -1.72 0.00 0.00 55.73 52.42 2ken s ARG 80 Cb 0.00 -0.98 -0.09 0.00 -0.45 0.00 0.00 34.95 33.43 2ken s ARG 80 CO 0.00 0.19 1.11 -0.06 -0.68 0.00 0.00 175.30 175.86 2ken s PHE 81 N -2.19 3.57 0.01 -0.53 0.08 -1.26 -0.46 117.98 117.20 2ken s PHE 81 Ca 0.11 1.62 -0.13 0.00 0.12 0.00 0.00 56.93 58.65 2ken s PHE 81 Cb -0.05 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 2ken s PHE 81 CO 0.04 -0.66 0.27 -1.14 -0.10 0.00 0.00 175.22 173.63 2ken s GLN 82 N -0.83 0.69 -0.23 0.44 0.74 -0.81 -4.65 119.66 115.01 2ken s GLN 82 Ca 0.48 -0.37 -0.09 0.00 0.05 0.00 0.00 55.36 55.43 2ken s GLN 82 Cb -0.31 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 2ken s GLN 82 CO 0.38 -0.20 0.11 0.08 -0.55 0.00 0.00 175.29 175.11 2ken s VAL 83 N -1.86 4.87 -0.20 1.34 1.01 -1.14 -1.42 120.40 122.98 2ken s VAL 83 Ca -0.10 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2ken s VAL 83 Cb -0.04 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2ken s VAL 83 CO 0.01 0.36 0.06 -1.10 0.00 0.00 0.00 175.10 174.43 2ken s GLN 84 N 1.13 3.84 -0.17 2.72 -0.21 -0.79 -2.02 119.66 124.15 2ken s GLN 84 Ca 0.06 -0.41 -0.08 0.00 0.02 0.00 0.00 55.36 54.95 2ken s GLN 84 Cb -0.14 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 2ken s GLN 84 CO 0.04 0.10 0.10 0.08 -2.12 0.00 0.00 175.29 173.50 2ken s VAL 85 N 0.83 5.19 0.02 1.09 1.01 -1.00 -3.27 120.40 124.26 2ken s VAL 85 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2ken s VAL 85 Cb -0.14 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2ken s VAL 85 CO 0.02 0.49 0.00 0.59 0.00 0.00 0.00 175.10 176.20 2ken n ASN 86 N 3.18 1.83 -0.15 3.32 3.02 -1.26 -2.78 115.26 122.43 2ken n ASN 86 Ca -0.17 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.21 2ken n ASN 86 Cb 0.53 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.70 2ken n ASN 86 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2ken h LYS 87 N 0.00 0.77 0.00 3.52 3.64 -1.84 -2.26 116.57 120.40 2ken h LYS 87 Ca -0.01 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2ken h LYS 87 Cb 0.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2ken h LYS 87 CO 0.02 0.84 0.00 0.27 -2.27 0.00 0.00 179.45 178.31 2ken n ASN 88 N -4.40 0.00 -4.90 4.20 0.23 -1.26 -4.64 115.26 104.49 2ken n ASN 88 Ca -0.00 0.37 -0.28 0.00 -0.53 0.00 0.00 54.58 54.14 2ken n ASN 88 Cb 0.30 -0.39 0.04 0.00 -2.08 0.00 0.00 39.78 37.65 2ken n ASN 88 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2ken s SER 89 N -2.77 5.56 0.07 0.53 1.04 -0.85 -4.81 113.70 112.47 2ken s SER 89 Ca 0.01 0.92 0.02 0.00 0.48 0.00 0.00 55.95 57.39 2ken s SER 89 Cb 0.01 -1.84 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 2ken s SER 89 CO 0.03 -1.17 -0.07 -0.55 0.98 0.00 0.00 173.24 172.46 2ken s SER 90 N -4.32 0.97 -0.06 7.02 0.15 -1.05 -4.95 113.70 111.46 2ken s SER 90 Ca 0.56 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 56.44 2ken s SER 90 Cb -0.11 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2ken s SER 90 CO 0.48 -0.34 -0.05 -0.63 1.20 0.00 0.00 173.24 173.91 2ken s ILE 91 N -2.50 0.61 -0.06 6.45 1.01 -1.26 -2.62 121.20 122.84 2ken s ILE 91 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2ken s ILE 91 Cb -0.02 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.81 2ken s ILE 91 CO -0.02 0.25 -0.13 -1.61 0.00 0.00 0.00 174.94 173.43 2ken s GLU 92 N 1.09 1.67 0.15 2.79 2.02 -1.06 -4.94 118.70 120.42 2ken s GLU 92 Ca -0.08 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2ken s GLU 92 Cb -0.14 -1.40 -0.07 0.00 0.10 0.00 0.00 34.13 32.62 2ken s GLU 92 CO -0.01 0.08 0.97 0.15 0.02 0.00 0.00 175.26 176.47 2ken s LYS 93 N 0.49 4.73 0.00 1.61 1.02 -1.26 -1.95 119.74 124.38 2ken s LYS 93 Ca -0.12 1.48 0.18 0.00 0.02 0.00 0.00 55.97 57.54 2ken s LYS 93 Cb -0.14 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2ken s LYS 93 CO 0.03 0.28 0.96 1.28 -0.92 0.00 0.00 175.35 176.98 2ken n LEU 94 N 2.43 1.90 0.00 3.17 4.32 -1.13 -4.93 117.00 122.76 2ken n LEU 94 Ca 0.01 -0.80 0.00 0.00 -0.02 0.00 0.00 56.01 55.20 2ken n LEU 94 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2ken n LEU 94 CO 0.51 0.35 0.00 -0.24 -1.22 0.00 0.00 177.39 176.79 2ken n SER 95 N 0.10 -2.24 -4.57 -1.43 2.88 -1.26 -4.86 113.62 102.25 2ken n SER 95 Ca 0.08 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.26 2ken n SER 95 Cb 0.40 -1.76 -0.11 0.00 -0.75 0.00 0.00 64.21 61.99 2ken n SER 95 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2ken s GLU 96 N -0.84 3.87 0.30 -1.46 2.12 -1.26 -4.99 118.70 116.44 2ken s GLU 96 Ca 0.00 -0.38 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 2ken s GLU 96 Cb 0.00 -3.35 -0.09 0.00 0.26 0.00 0.00 34.13 30.95 2ken s GLU 96 CO 0.00 0.03 1.07 -1.25 -0.54 0.00 0.00 175.26 174.57 2ken s PRO 97 N 1.05 4.57 -0.11 4.30 0.04 -1.26 -4.14 135.00 139.45 2ken s PRO 97 Ca 0.05 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 2ken s PRO 97 Cb -0.14 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2ken s PRO 97 CO 0.04 0.18 -0.05 0.42 0.04 0.00 0.00 177.00 177.63 2ken s ILE 98 N -1.26 3.86 -0.26 0.56 1.01 -1.26 -5.05 121.20 118.79 2ken s ILE 98 Ca 0.47 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 2ken s ILE 98 Cb -0.29 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2ken s ILE 98 CO 0.37 0.56 0.24 -0.70 0.00 0.00 0.00 174.94 175.41 2ken s GLU 99 N -0.32 4.01 -0.76 2.79 2.12 -1.26 -4.97 118.70 120.31 2ken s GLU 99 Ca 0.05 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 2ken s GLU 99 Cb -0.12 -3.62 0.32 0.00 0.26 0.00 0.00 34.13 30.97 2ken s GLU 99 CO 0.02 -0.13 2.13 0.28 -0.54 0.00 0.00 175.26 177.02 2ken n VAL 100 N 4.83 3.55 0.00 3.70 0.31 -1.26 -4.85 118.33 124.61 2ken n VAL 100 Ca -0.13 -3.88 0.00 0.00 -0.01 0.00 0.00 64.34 60.33 2ken n VAL 100 Cb 0.52 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2ken n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ken n GLY 101 N -0.39 0.23 0.16 2.92 0.00 -1.26 -5.00 105.19 101.87 2ken n GLY 101 Ca 0.54 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 0.86 -4.77 0.99 4.77 -1.26 -4.98 117.00 112.62 2ken n LEU 102 Ca 0.00 0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 2ken n LEU 102 Cb 0.00 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 2ken n LEU 102 CO 0.00 -0.42 0.83 -1.83 -1.33 0.00 0.00 177.39 174.64 2ken s GLU 103 N -1.84 4.35 0.00 3.23 -1.05 -1.26 -4.92 118.70 117.20 2ken s GLU 103 Ca -0.12 1.83 0.08 0.00 -0.15 0.00 0.00 54.97 56.61 2ken s GLU 103 Cb 0.02 -2.92 0.13 0.00 -0.44 0.00 0.00 34.13 30.91 2ken s GLU 103 CO 0.18 -0.06 0.97 1.58 0.95 0.00 0.00 175.26 178.87 2ken n HIS 104 N 0.61 0.00 -2.90 4.83 -0.00 -1.26 -4.87 115.22 111.62 2ken n HIS 104 Ca 0.02 -0.21 -0.00 0.00 0.46 0.00 0.00 57.72 57.98 2ken n HIS 104 Cb 0.46 0.04 -0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2ken n HIS 104 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ken n HIS 105 N 0.15 -2.36 -2.36 1.57 8.25 -1.26 -4.86 115.22 114.34 2ken n HIS 105 Ca -0.02 1.10 -0.41 0.00 -0.26 0.00 0.00 57.72 58.13 2ken n HIS 105 Cb 0.80 -2.74 -0.04 0.00 1.12 0.00 0.00 29.99 29.13 2ken n HIS 105 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ken s HIS 106 N -1.24 3.42 -0.01 4.41 2.46 -1.26 -5.03 115.29 118.03 2ken s HIS 106 Ca -0.02 1.51 -0.04 0.00 0.47 0.00 0.00 55.06 56.98 2ken s HIS 106 Cb 0.00 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 2ken s HIS 106 CO 0.46 -1.10 0.09 -1.58 -2.47 0.00 0.00 174.74 170.13 2ken s HIS 107 N -0.60 0.01 -0.07 3.88 2.46 -1.26 -5.16 115.29 114.55 2ken s HIS 107 Ca 0.49 -0.01 -0.06 0.00 0.47 0.00 0.00 55.06 55.95 2ken s HIS 107 Cb -0.34 -0.03 0.02 0.00 -0.13 0.00 0.00 32.58 32.10 2ken s HIS 107 CO 0.41 -0.15 0.18 -1.58 -2.47 0.00 0.00 174.74 171.13 2ken s HIS 108 N -0.68 -0.20 0.00 3.88 2.46 -1.26 -5.29 115.29 114.19 2ken s HIS 108 Ca -0.08 0.49 0.00 0.00 0.47 0.00 0.00 55.06 55.94 2ken s HIS 108 Cb -0.05 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 2ken s HIS 108 CO 0.00 -0.10 0.00 1.58 -2.47 0.00 0.00 174.74 173.75