#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2okf h ASP 5 N 0.00 1.08 0.05 6.15 3.04 -2.03 -1.49 116.42 123.22 2okf h ASP 5 Ca 0.00 -0.04 -0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2okf h ASP 5 Cb 0.00 -0.27 -0.00 0.00 -1.04 0.00 0.00 39.33 38.02 2okf h ASP 5 CO 0.00 0.80 -0.03 0.58 -2.04 0.00 0.00 179.24 178.54 2okf h VAL 6 N 1.26 0.92 -0.18 4.15 2.07 -2.05 -0.42 116.25 122.00 2okf h VAL 6 Ca 0.34 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.77 2okf h VAL 6 Cb -0.11 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2okf h VAL 6 CO -0.07 0.00 -0.27 -0.26 0.02 0.00 0.00 177.57 176.99 2okf h PHE 7 N -0.08 0.38 -0.40 1.57 -1.00 -1.96 -0.19 116.94 115.26 2okf h PHE 7 Ca -0.00 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 2okf h PHE 7 Cb 0.07 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 2okf h PHE 7 CO -0.09 0.59 0.24 1.25 -1.61 0.00 0.00 178.31 178.69 2okf h HIS 8 N 0.30 0.52 -0.52 -0.55 2.76 -0.98 -1.34 115.15 115.35 2okf h HIS 8 Ca 0.04 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.12 2okf h HIS 8 Cb 0.64 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 2okf h HIS 8 CO 0.01 0.37 -0.06 0.93 -1.30 0.00 0.00 177.93 177.88 2okf h GLU 9 N 0.52 0.93 -0.35 5.26 4.39 -0.63 -1.81 114.58 122.89 2okf h GLU 9 Ca 0.14 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2okf h GLU 9 Cb -0.00 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2okf h GLU 9 CO -0.03 0.96 0.15 0.28 -1.16 0.00 0.00 179.01 179.21 2okf h VAL 10 N 0.84 0.95 -0.66 3.13 2.07 -0.73 0.15 116.25 122.00 2okf h VAL 10 Ca 0.14 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2okf h VAL 10 Cb 0.58 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2okf h VAL 10 CO 0.04 0.06 0.09 0.58 0.02 0.00 0.00 177.57 178.35 2okf h VAL 11 N 0.32 1.26 -0.58 2.57 2.07 -1.06 -0.14 116.25 120.69 2okf h VAL 11 Ca 0.15 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2okf h VAL 11 Cb 0.09 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2okf h VAL 11 CO -0.13 0.40 0.38 0.11 0.02 0.00 0.00 177.57 178.35 2okf h LYS 12 N 1.02 0.76 -0.35 1.57 1.57 -0.98 0.82 116.57 120.98 2okf h LYS 12 Ca 0.20 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2okf h LYS 12 Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2okf h LYS 12 CO 0.02 0.50 0.22 1.15 -0.57 0.00 0.00 179.45 180.77 2okf h THR 13 N 0.78 1.11 -0.53 -0.16 2.02 -0.61 -0.72 112.91 114.80 2okf h THR 13 Ca 0.21 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2okf h THR 13 Cb -0.08 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2okf h THR 13 CO -0.05 0.11 0.30 0.00 0.37 0.00 0.00 175.52 176.25 2okf h ALA 14 N 1.10 0.67 -0.04 6.16 0.00 -0.67 -1.10 119.26 125.38 2okf h ALA 14 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2okf h ALA 14 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2okf h ALA 14 CO -0.03 0.18 -0.02 -0.07 0.00 0.00 0.00 179.25 179.31 2okf h LEU 15 N 0.70 -0.07 -1.28 0.00 3.38 -0.62 -2.92 115.31 114.51 2okf h LEU 15 Ca 0.19 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2okf h LEU 15 Cb 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2okf h LEU 15 CO -0.03 -0.03 0.05 0.11 0.09 0.00 0.00 178.44 178.63 2okf h LYS 16 N -0.02 0.54 0.00 1.13 1.57 -0.75 -1.41 116.57 117.64 2okf h LYS 16 Ca 0.02 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2okf h LYS 16 Cb 0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2okf h LYS 16 CO -0.05 0.53 -0.04 0.87 -0.57 0.00 0.00 179.45 180.18 2okf h LYS 17 N 0.52 0.00 -0.48 3.15 1.57 -1.03 -0.73 116.57 119.57 2okf h LYS 17 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2okf h LYS 17 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2okf h LYS 17 CO 0.00 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.68 2okf n ASP 18 N -4.35 2.56 0.00 0.86 9.92 -0.59 -4.93 116.55 120.02 2okf n ASP 18 Ca -0.03 -2.03 0.00 0.00 -0.53 0.00 0.00 54.79 52.20 2okf n ASP 18 Cb 0.13 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2okf n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2okf n GLY 19 N 1.19 0.64 3.75 0.44 0.00 -0.28 -5.04 105.19 105.89 2okf n GLY 19 Ca 0.16 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2okf n GLY 19 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2okf s TRP 20 N -2.00 3.94 -0.26 1.61 0.52 -0.83 -4.82 118.94 117.09 2okf s TRP 20 Ca 0.00 1.89 -0.11 0.00 0.02 0.00 0.00 56.10 57.91 2okf s TRP 20 Cb 0.00 -2.99 -0.05 0.00 -1.15 0.00 0.00 33.47 29.28 2okf s TRP 20 CO 0.00 0.38 0.18 -1.14 0.02 0.00 0.00 176.95 176.39 2okf s GLN 21 N -1.29 4.00 -0.13 4.98 0.74 -0.10 -4.15 119.66 123.71 2okf s GLN 21 Ca 0.42 -0.29 -0.29 0.00 0.05 0.00 0.00 55.36 55.24 2okf s GLN 21 Cb -0.25 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.24 2okf s GLN 21 CO 0.31 -0.07 1.10 0.42 -0.55 0.00 0.00 175.29 176.50 2okf s ILE 22 N 1.45 4.56 -0.07 -2.34 -1.09 -1.26 -0.63 121.20 121.83 2okf s ILE 22 Ca 0.07 1.86 0.12 0.00 -2.23 0.00 0.00 60.65 60.48 2okf s ILE 22 Cb -0.15 -4.20 -0.18 0.00 -1.58 0.00 0.00 42.46 36.35 2okf s ILE 22 CO 0.08 -0.06 0.17 0.35 -1.23 0.00 0.00 174.94 174.25 2okf n THR 23 N 4.87 0.42 -3.70 2.92 -2.24 0.01 -4.97 114.28 111.58 2okf n THR 23 Ca 0.11 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 2okf n THR 23 Cb 0.47 -0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 2okf n THR 23 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2okf s ASP 24 N -4.03 -0.52 -0.29 3.42 1.01 -1.16 -5.00 116.67 110.09 2okf s ASP 24 Ca -0.06 0.99 0.02 0.00 0.71 0.00 0.00 52.55 54.22 2okf s ASP 24 Cb 0.06 0.99 0.20 0.00 1.01 0.00 0.00 42.92 45.18 2okf s ASP 24 CO 0.54 -0.17 0.68 -0.62 0.21 0.00 0.00 175.17 175.80 2okf s ASP 25 N 0.41 -1.39 0.42 0.27 2.15 -1.26 -0.73 116.67 116.54 2okf s ASP 25 Ca -0.01 0.22 -0.18 0.00 0.43 0.00 0.00 52.55 53.01 2okf s ASP 25 Cb -0.04 1.90 -0.10 0.00 -0.30 0.00 0.00 42.92 44.39 2okf s ASP 25 CO -0.01 -0.25 0.89 -2.16 -0.17 0.00 0.00 175.17 173.47 2okf s PRO 26 N 2.86 4.09 -0.30 4.34 0.04 -1.26 -5.10 135.00 139.67 2okf s PRO 26 Ca 0.14 0.94 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 2okf s PRO 26 Cb -0.09 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2okf s PRO 26 CO -0.25 -0.03 1.00 -1.17 0.04 0.00 0.00 177.00 176.59 2okf s LEU 27 N -3.35 4.00 -0.06 -3.56 2.96 -0.01 -4.96 118.68 113.69 2okf s LEU 27 Ca 0.59 1.02 -0.07 0.00 -0.22 0.00 0.00 54.13 55.44 2okf s LEU 27 Cb -0.10 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 2okf s LEU 27 CO 0.19 -0.78 0.21 0.42 -1.32 0.00 0.00 176.35 175.07 2okf s THR 28 N 3.41 5.39 -0.11 3.68 -4.23 -1.26 -4.44 115.64 118.08 2okf s THR 28 Ca 0.42 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2okf s THR 28 Cb -0.13 -3.50 0.02 0.00 1.34 0.00 0.00 72.50 70.23 2okf s THR 28 CO 0.13 0.52 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.00 2okf s ILE 29 N -1.14 1.12 -0.14 2.99 1.01 -1.26 -5.07 121.20 118.71 2okf s ILE 29 Ca 0.21 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2okf s ILE 29 Cb -0.13 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.26 2okf s ILE 29 CO 0.10 0.38 -0.16 -0.44 0.00 0.00 0.00 174.94 174.81 2okf s SER 30 N 1.45 2.72 -0.16 3.58 0.01 -1.26 -0.84 113.70 119.20 2okf s SER 30 Ca 0.01 -0.50 -0.28 0.00 1.31 0.00 0.00 55.95 56.48 2okf s SER 30 Cb -0.13 -1.23 0.07 0.00 0.21 0.00 0.00 66.02 64.94 2okf s SER 30 CO -0.06 -0.00 0.72 0.54 0.41 0.00 0.00 173.24 174.84 2okf s VAL 31 N 1.19 0.00 -1.47 3.43 0.11 -0.07 -4.97 120.40 118.61 2okf s VAL 31 Ca -0.01 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 2okf s VAL 31 Cb -0.14 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 2okf s VAL 31 CO -0.06 0.00 0.89 0.61 -3.33 0.00 0.00 175.10 173.20 2okf n GLY 32 N 1.75 -0.51 1.80 6.54 0.00 -1.26 -1.65 105.19 111.87 2okf n GLY 32 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2okf n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2okf n GLY 33 N -1.65 0.77 3.11 -0.02 0.00 -1.26 -5.04 105.19 101.10 2okf n GLY 33 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2okf n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2okf s VAL 34 N -2.81 1.12 -0.33 1.61 1.01 -0.66 -5.10 120.40 115.24 2okf s VAL 34 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 2okf s VAL 34 Cb 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.47 2okf s VAL 34 CO 0.00 0.30 0.13 0.20 0.00 0.00 0.00 175.10 175.74 2okf s ASN 35 N -0.37 5.41 0.31 3.32 0.02 -1.26 -0.90 114.94 121.47 2okf s ASN 35 Ca 0.05 -0.91 0.00 0.00 -1.02 0.00 0.00 52.86 50.98 2okf s ASN 35 Cb -0.06 -1.93 0.00 0.00 0.02 0.00 0.00 41.25 39.28 2okf s ASN 35 CO -0.00 -0.29 0.00 0.18 0.02 0.00 0.00 177.10 177.00 2okf n LEU 36 N 4.90 0.00 -4.28 0.60 4.32 -0.02 -5.01 117.00 117.51 2okf n LEU 36 Ca -0.13 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.42 2okf n LEU 36 Cb 0.46 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 2okf n LEU 36 CO 0.33 -0.27 0.12 -0.54 -1.22 0.00 0.00 177.39 175.81 2okf s LYS 44 N -0.80 2.89 0.45 3.23 1.02 -1.26 -4.53 119.74 120.75 2okf s LYS 44 Ca 0.00 -1.84 -0.24 0.00 0.02 0.00 0.00 55.97 53.90 2okf s LYS 44 Cb 0.00 -4.18 -0.08 0.00 -0.52 0.00 0.00 37.83 33.05 2okf s LYS 44 CO 0.00 -1.28 1.31 -0.51 -0.92 0.00 0.00 175.35 173.95 2okf s LEU 45 N 1.31 4.09 -0.20 3.17 1.43 -1.26 -4.76 118.68 122.46 2okf s LEU 45 Ca 0.06 2.67 -0.11 0.00 -1.03 0.00 0.00 54.13 55.72 2okf s LEU 45 Cb -0.26 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 2okf s LEU 45 CO 0.00 -1.07 0.16 -0.63 0.23 0.00 0.00 176.35 175.04 2okf s ILE 46 N -1.30 5.39 -0.14 -0.59 1.01 -0.58 -0.83 121.20 124.15 2okf s ILE 46 Ca 0.62 0.24 -0.06 0.00 0.00 0.00 0.00 60.65 61.44 2okf s ILE 46 Cb -0.38 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2okf s ILE 46 CO 0.48 0.42 0.08 0.00 0.00 0.00 0.00 174.94 175.92 2okf s ALA 47 N 0.44 3.54 0.15 9.38 0.00 0.09 -0.38 121.76 134.99 2okf s ALA 47 Ca 0.09 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 2okf s ALA 47 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 2okf s ALA 47 CO -0.01 0.40 0.28 0.00 0.00 0.00 0.00 175.76 176.43 2okf s ALA 48 N -0.31 -0.12 0.08 0.00 0.00 -0.72 -0.81 121.76 119.88 2okf s ALA 48 Ca 0.09 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 2okf s ALA 48 Cb -0.12 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.80 2okf s ALA 48 CO 0.01 -0.63 0.30 -1.83 0.00 0.00 0.00 175.76 173.62 2okf s GLU 49 N -3.94 0.89 -0.20 0.00 -1.05 0.20 -0.94 118.70 113.66 2okf s GLU 49 Ca 0.14 -0.67 -0.09 0.00 -0.15 0.00 0.00 54.97 54.20 2okf s GLU 49 Cb 0.03 0.38 0.08 0.00 -0.44 0.00 0.00 34.13 34.18 2okf s GLU 49 CO -0.03 -0.30 0.45 0.50 0.95 0.00 0.00 175.26 176.83 2okf s ARG 50 N -3.22 0.39 -1.49 -4.83 3.52 -0.30 -0.92 118.95 112.10 2okf s ARG 50 Ca -0.00 0.99 -0.04 0.00 -0.13 0.00 0.00 55.73 56.54 2okf s ARG 50 Cb 0.01 0.22 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 2okf s ARG 50 CO -0.08 -0.21 0.45 1.04 -0.81 0.00 0.00 175.30 175.70 2okf n GLN 51 N 4.90 -3.02 -0.04 5.12 1.13 -1.26 -1.03 117.38 123.18 2okf n GLN 51 Ca -0.15 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 2okf n GLN 51 Cb 0.52 -4.55 0.00 0.00 0.11 0.00 0.00 30.24 26.32 2okf n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2okf n GLY 52 N -1.92 2.26 3.66 1.08 0.00 -1.26 -4.98 105.19 104.02 2okf n GLY 52 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2okf n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2okf s GLN 53 N -0.01 4.26 -0.12 1.61 0.74 -0.19 -5.04 119.66 120.91 2okf s GLN 53 Ca 0.00 1.27 -0.04 0.00 0.05 0.00 0.00 55.36 56.64 2okf s GLN 53 Cb 0.00 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 2okf s GLN 53 CO 0.00 -0.57 0.05 0.15 -0.55 0.00 0.00 175.29 174.37 2okf s LYS 54 N 2.98 3.35 0.10 1.67 1.02 -1.26 -1.15 119.74 126.45 2okf s LYS 54 Ca 0.43 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 56.11 2okf s LYS 54 Cb -0.15 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2okf s LYS 54 CO 0.08 0.61 -0.07 0.96 -0.92 0.00 0.00 175.35 176.01 2okf s ILE 55 N -0.59 0.72 -0.01 2.17 -4.36 -0.12 -1.60 121.20 117.42 2okf s ILE 55 Ca 0.11 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 2okf s ILE 55 Cb -0.12 -1.70 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 2okf s ILE 55 CO 0.02 -0.86 -0.15 0.00 0.24 0.00 0.00 174.94 174.18 2okf s ALA 56 N -3.61 1.29 -0.11 2.27 0.00 -0.15 -1.75 121.76 119.71 2okf s ALA 56 Ca 0.12 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2okf s ALA 56 Cb 0.05 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2okf s ALA 56 CO -0.04 0.31 -0.12 0.08 0.00 0.00 0.00 175.76 175.98 2okf s VAL 57 N -0.32 1.32 -0.53 0.00 1.01 0.49 -0.77 120.40 121.61 2okf s VAL 57 Ca 0.05 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 2okf s VAL 57 Cb -0.06 -1.25 0.05 0.00 0.00 0.00 0.00 36.38 35.12 2okf s VAL 57 CO -0.00 0.41 0.75 -0.70 0.00 0.00 0.00 175.10 175.55 2okf s GLU 58 N 1.29 3.20 -0.12 2.72 2.12 -0.01 -1.53 118.70 126.36 2okf s GLU 58 Ca -0.01 -0.67 -0.23 0.00 0.36 0.00 0.00 54.97 54.41 2okf s GLU 58 Cb -0.14 -4.09 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 2okf s GLU 58 CO -0.05 -1.33 0.71 0.08 -0.54 0.00 0.00 175.26 174.13 2okf s VAL 59 N 3.13 5.01 0.03 3.70 1.01 -1.26 -0.27 120.40 131.74 2okf s VAL 59 Ca 0.21 1.43 0.05 0.00 0.00 0.00 0.00 61.98 63.66 2okf s VAL 59 Cb -0.17 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2okf s VAL 59 CO 0.14 0.17 -0.15 -0.54 0.00 0.00 0.00 175.10 174.73 2okf s LYS 60 N 1.32 1.01 -0.01 2.72 -0.14 -0.95 -4.96 119.74 118.73 2okf s LYS 60 Ca 0.36 -0.73 0.11 0.00 -1.36 0.00 0.00 55.97 54.35 2okf s LYS 60 Cb -0.17 -1.02 -0.17 0.00 -1.68 0.00 0.00 37.83 34.79 2okf s LYS 60 CO 0.15 0.26 0.27 -1.13 -0.76 0.00 0.00 175.35 174.14 2okf n SER 61 N 2.05 2.26 -3.76 2.83 3.41 -1.26 -4.23 113.62 114.92 2okf n SER 61 Ca -0.17 -0.08 -0.31 0.00 -0.26 0.00 0.00 58.87 58.04 2okf n SER 61 Cb 0.55 1.45 0.03 0.00 -0.26 0.00 0.00 64.21 65.98 2okf n SER 61 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2okf n PHE 62 N -1.82 -1.83 -2.46 7.33 3.72 -1.26 -4.80 117.46 116.35 2okf n PHE 62 Ca -0.02 0.48 -0.38 0.00 -0.05 0.00 0.00 57.45 57.48 2okf n PHE 62 Cb 0.28 -3.46 -0.04 0.00 -0.94 0.00 0.00 39.48 35.32 2okf n PHE 62 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2okf s LEU 63 N -6.63 4.26 0.00 4.37 1.43 -1.26 -4.91 118.68 115.93 2okf s LEU 63 Ca 0.39 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2okf s LEU 63 Cb -0.15 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2okf s LEU 63 CO 0.87 -0.46 0.95 0.29 0.23 0.00 0.00 176.35 178.24 2okf n LYS 64 N 0.28 0.00 0.12 1.70 4.01 -1.26 -2.99 118.16 120.02 2okf n LYS 64 Ca 0.03 0.45 0.06 0.00 -0.51 0.00 0.00 58.31 58.34 2okf n LYS 64 Cb 0.48 -1.51 0.52 0.00 -0.51 0.00 0.00 35.03 34.00 2okf n LYS 64 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 2okf h GLN 65 N 0.00 0.29 -5.34 1.97 4.20 -2.02 -3.43 115.11 110.78 2okf h GLN 65 Ca 0.00 -0.02 -0.46 0.00 0.06 0.00 0.00 58.65 58.23 2okf h GLN 65 Cb 0.02 -0.06 -0.14 0.00 0.30 0.00 0.00 27.48 27.60 2okf h GLN 65 CO 0.00 0.20 -0.66 -1.12 -0.67 0.00 0.00 178.83 176.59 2okf s SER 66 N -6.86 2.43 0.48 1.46 0.01 -1.16 -5.11 113.70 104.95 2okf s SER 66 Ca -0.07 -1.23 -0.24 0.00 1.31 0.00 0.00 55.95 55.73 2okf s SER 66 Cb 0.17 -0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.23 2okf s SER 66 CO 0.70 -0.43 1.37 -0.94 0.41 0.00 0.00 173.24 174.35 2okf s SER 67 N -3.41 5.75 0.30 2.44 1.04 -1.26 -4.87 113.70 113.69 2okf s SER 67 Ca 0.30 2.78 -0.02 0.00 0.48 0.00 0.00 55.95 59.50 2okf s SER 67 Cb 0.05 -2.64 0.46 0.00 0.10 0.00 0.00 66.02 63.99 2okf s SER 67 CO 0.11 -1.25 1.97 0.00 0.98 0.00 0.00 173.24 175.06 2okf h ALA 68 N 2.05 1.42 -0.58 5.32 0.00 -1.94 -1.93 119.26 123.60 2okf h ALA 68 Ca -0.51 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2okf h ALA 68 Cb 1.27 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2okf h ALA 68 CO 0.60 0.54 0.21 0.97 0.00 0.00 0.00 179.25 181.56 2okf h ILE 69 N 1.09 1.23 -0.69 0.00 6.09 -1.98 0.22 117.51 123.47 2okf h ILE 69 Ca 0.29 -0.77 -0.04 0.00 -1.37 0.00 0.00 64.86 62.98 2okf h ILE 69 Cb -0.12 0.64 -0.03 0.00 0.47 0.00 0.00 36.82 37.78 2okf h ILE 69 CO -0.06 0.29 0.27 0.77 -3.07 0.00 0.00 178.15 176.35 2okf h SER 70 N 0.82 0.95 -0.72 2.19 4.64 -1.84 0.02 113.55 119.61 2okf h SER 70 Ca 0.19 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2okf h SER 70 Cb 0.25 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2okf h SER 70 CO -0.01 0.87 0.26 -0.33 -0.87 0.00 0.00 176.83 176.75 2okf h GLU 71 N 0.98 1.10 -0.42 4.77 5.08 -0.96 -2.83 114.58 122.30 2okf h GLU 71 Ca 0.23 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2okf h GLU 71 Cb 0.22 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2okf h GLU 71 CO -0.02 0.91 0.04 0.35 -1.00 0.00 0.00 179.01 179.29 2okf h PHE 72 N 1.07 0.76 -0.27 4.33 3.57 -0.02 -0.54 116.94 125.85 2okf h PHE 72 Ca 0.24 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.69 2okf h PHE 72 Cb 0.24 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 2okf h PHE 72 CO 0.02 0.75 -0.21 0.45 -2.23 0.00 0.00 178.31 177.09 2okf h HIS 73 N 0.55 -0.55 -0.38 0.41 3.86 -0.77 0.11 115.15 118.38 2okf h HIS 73 Ca 0.12 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2okf h HIS 73 Cb 0.42 0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2okf h HIS 73 CO 0.03 -0.29 0.06 1.15 0.86 0.00 0.00 177.93 179.74 2okf h THR 74 N -0.20 1.24 -0.90 2.45 2.02 -1.41 -1.60 112.91 114.51 2okf h THR 74 Ca 0.15 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.49 2okf h THR 74 Cb 0.42 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2okf h THR 74 CO -0.38 0.30 0.59 0.00 0.37 0.00 0.00 175.52 176.39 2okf h ALA 75 N 0.91 1.19 -0.16 6.16 0.00 -0.75 -0.34 119.26 126.28 2okf h ALA 75 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2okf h ALA 75 Cb 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2okf h ALA 75 CO 0.01 0.45 -0.04 1.25 0.00 0.00 0.00 179.25 180.92 2okf h LEU 76 N 1.14 0.31 -0.47 0.00 5.85 -0.66 -0.80 115.31 120.68 2okf h LEU 76 Ca 0.36 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2okf h LEU 76 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2okf h LEU 76 CO -0.11 0.61 0.31 1.23 -0.34 0.00 0.00 178.44 180.13 2okf h GLY 77 N 0.00 0.67 0.64 3.75 0.00 -1.06 -0.38 103.07 106.70 2okf h GLY 77 Ca 0.04 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2okf h GLY 77 CO 0.02 0.25 0.21 1.46 0.00 0.00 0.00 176.54 178.47 2okf h GLN 78 N 0.64 0.40 0.04 4.80 4.20 -1.05 -0.68 115.11 123.47 2okf h GLN 78 Ca 0.17 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2okf h GLN 78 Cb -0.07 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2okf h GLN 78 CO -0.04 0.27 -0.03 0.35 -0.67 0.00 0.00 178.83 178.71 2okf h PHE 79 N 0.42 -0.07 -0.57 2.96 3.04 -0.61 0.25 116.94 122.36 2okf h PHE 79 Ca 0.22 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 2okf h PHE 79 Cb 0.19 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.69 2okf h PHE 79 CO -0.13 -0.04 0.31 0.82 -2.02 0.00 0.00 178.31 177.25 2okf h ILE 80 N -0.07 1.19 -0.18 1.41 1.08 -0.88 0.95 117.51 121.00 2okf h ILE 80 Ca -0.00 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 63.97 2okf h ILE 80 Cb 0.06 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2okf h ILE 80 CO 0.00 0.20 0.04 0.78 -0.69 0.00 0.00 178.15 178.49 2okf h ASN 81 N 0.77 0.28 -0.70 1.72 -0.26 -0.85 -0.98 115.58 115.56 2okf h ASN 81 Ca 0.20 -0.24 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 2okf h ASN 81 Cb 0.05 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 2okf h ASN 81 CO -0.03 0.45 0.27 1.88 -1.06 0.00 0.00 177.43 178.94 2okf h TYR 82 N 0.10 1.07 -0.38 1.19 0.05 -0.41 -0.01 116.97 118.58 2okf h TYR 82 Ca 0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2okf h TYR 82 Cb 0.28 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2okf h TYR 82 CO 0.01 0.83 0.21 -0.09 -1.05 0.00 0.00 178.16 178.07 2okf h ARG 83 N 1.00 0.53 -0.65 4.88 2.43 -0.72 0.23 114.38 122.08 2okf h ARG 83 Ca 0.23 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2okf h ARG 83 Cb 0.22 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2okf h ARG 83 CO -0.02 0.44 0.12 0.78 -1.51 0.00 0.00 179.97 179.78 2okf h GLY 84 N 0.49 1.14 0.86 2.80 0.00 -0.91 -2.00 103.07 105.45 2okf h GLY 84 Ca 0.13 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 2okf h GLY 84 CO -0.02 0.68 -0.04 0.00 0.00 0.00 0.00 176.54 177.16 2okf h ALA 85 N 1.12 0.36 -0.53 3.60 0.00 -0.74 -3.17 119.26 119.90 2okf h ALA 85 Ca 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2okf h ALA 85 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2okf h ALA 85 CO 0.01 0.14 0.29 -0.07 0.00 0.00 0.00 179.25 179.62 2okf h LEU 86 N 0.25 0.64 -1.00 0.00 3.38 -0.73 -1.63 115.31 116.21 2okf h LEU 86 Ca 0.07 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.14 2okf h LEU 86 Cb 0.50 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 2okf h LEU 86 CO 0.02 0.51 0.63 0.03 0.09 0.00 0.00 178.44 179.72 2okf h ARG 87 N 0.73 0.90 -0.17 1.13 3.08 -1.33 0.19 114.38 118.90 2okf h ARG 87 Ca 0.19 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2okf h ARG 87 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2okf h ARG 87 CO -0.03 0.60 0.00 1.63 -1.07 0.00 0.00 179.97 181.09 2okf n LYS 88 N -4.66 1.98 0.00 0.04 4.76 -0.66 -4.08 118.16 115.54 2okf n LYS 88 Ca 0.20 -1.46 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 2okf n LYS 88 Cb 0.42 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2okf n LYS 88 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2okf n VAL 89 N 0.71 0.00 -3.34 -0.18 0.31 -0.88 -4.97 118.33 109.97 2okf n VAL 89 Ca 0.17 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.24 2okf n VAL 89 Cb 0.43 -1.01 -0.09 0.00 -0.91 0.00 0.00 33.84 32.27 2okf n VAL 89 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2okf n GLU 90 N -2.73 0.56 0.03 5.55 1.02 0.61 -5.00 120.64 120.68 2okf n GLU 90 Ca 0.00 -3.31 0.07 0.00 -0.02 0.00 0.00 57.16 53.89 2okf n GLU 90 Cb 0.28 -1.55 0.30 0.00 -0.02 0.00 0.00 31.44 30.45 2okf n GLU 90 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2okf n PRO 91 N 2.16 0.04 0.00 3.49 -0.04 -1.07 -1.49 135.00 138.09 2okf n PRO 91 Ca 0.26 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 2okf n PRO 91 Cb 0.49 -1.57 0.42 0.00 -0.04 0.00 0.00 33.50 32.79 2okf n PRO 91 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2okf n ASP 92 N -1.64 1.75 -4.50 3.54 8.00 -1.26 -4.82 116.55 117.61 2okf n ASP 92 Ca 0.03 -1.53 -0.40 0.00 0.71 0.00 0.00 54.79 53.59 2okf n ASP 92 Cb 0.15 0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.17 2okf n ASP 92 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2okf s ARG 93 N -2.06 3.40 -0.12 -1.24 3.52 -0.56 -4.27 118.95 117.62 2okf s ARG 93 Ca 0.34 -0.70 -0.19 0.00 -0.13 0.00 0.00 55.73 55.05 2okf s ARG 93 Cb 0.21 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2okf s ARG 93 CO 0.35 -0.47 0.51 0.08 -0.81 0.00 0.00 175.30 174.96 2okf s VAL 94 N 1.69 5.17 0.00 7.11 1.01 -0.63 -4.73 120.40 130.02 2okf s VAL 94 Ca 0.06 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.83 2okf s VAL 94 Cb -0.18 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2okf s VAL 94 CO 0.10 0.31 0.63 -0.22 0.00 0.00 0.00 175.10 175.91 2okf s LEU 95 N 0.72 4.42 0.02 3.92 2.96 -1.26 -0.97 118.68 128.48 2okf s LEU 95 Ca 0.27 1.21 0.07 0.00 -0.22 0.00 0.00 54.13 55.46 2okf s LEU 95 Cb -0.15 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 2okf s LEU 95 CO 0.11 0.07 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.70 2okf s TYR 96 N -0.10 1.76 -0.26 5.38 1.51 0.05 -4.53 117.35 121.17 2okf s TYR 96 Ca 0.33 -0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.84 2okf s TYR 96 Cb -0.19 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2okf s TYR 96 CO 0.18 0.03 0.59 -1.17 -1.11 0.00 0.00 175.55 174.08 2okf s LEU 97 N -0.83 4.06 -0.20 -1.29 2.96 0.24 -0.83 118.68 122.79 2okf s LEU 97 Ca 0.07 0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 54.43 2okf s LEU 97 Cb -0.08 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 2okf s LEU 97 CO 0.01 -0.34 0.61 0.00 -1.32 0.00 0.00 176.35 175.30 2okf s ALA 98 N 2.44 3.54 0.03 5.97 0.00 0.63 -0.82 121.76 133.55 2okf s ALA 98 Ca 0.25 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2okf s ALA 98 Cb -0.16 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2okf s ALA 98 CO 0.09 -0.53 -0.09 0.14 0.00 0.00 0.00 175.76 175.37 2okf s VAL 99 N 1.85 0.68 0.60 0.00 -7.23 -0.08 -2.25 120.40 113.97 2okf s VAL 99 Ca 0.28 -0.79 -0.19 0.00 -1.81 0.00 0.00 61.98 59.47 2okf s VAL 99 Cb -0.16 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2okf s VAL 99 CO 0.10 -0.11 1.26 -2.84 -0.31 0.00 0.00 175.10 173.21 2okf s PRO 100 N -0.99 2.84 0.26 4.82 0.02 -1.26 -1.63 135.00 139.06 2okf s PRO 100 Ca -0.03 1.98 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 2okf s PRO 100 Cb -0.07 -1.95 0.36 0.00 0.02 0.00 0.00 34.50 32.85 2okf s PRO 100 CO 0.00 -1.35 1.91 1.25 -0.33 0.00 0.00 177.00 178.49 2okf h LEU 101 N 0.86 1.08 -0.60 -5.54 5.85 -1.17 0.32 115.31 116.11 2okf h LEU 101 Ca -0.51 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.22 2okf h LEU 101 Cb 1.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2okf h LEU 101 CO 0.55 0.73 0.38 0.71 -0.34 0.00 0.00 178.44 180.48 2okf h THR 102 N 1.25 1.11 -0.42 1.05 1.35 -1.91 -0.48 112.91 114.86 2okf h THR 102 Ca 0.40 -0.27 -0.05 0.00 -0.55 0.00 0.00 66.41 65.94 2okf h THR 102 Cb 0.02 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 66.69 2okf h THR 102 CO -0.13 0.14 0.07 0.74 -0.25 0.00 0.00 175.52 176.09 2okf h THR 103 N 0.77 1.24 -0.66 6.82 2.02 -1.76 -2.55 112.91 118.80 2okf h THR 103 Ca 0.23 -0.87 0.07 0.00 0.77 0.00 0.00 66.41 66.61 2okf h THR 103 Cb -0.04 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 2okf h THR 103 CO -0.07 0.30 0.35 0.22 0.37 0.00 0.00 175.52 176.69 2okf h TYR 104 N 0.55 0.64 0.00 3.16 3.20 -0.61 -1.39 116.97 122.52 2okf h TYR 104 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2okf h TYR 104 Cb 0.37 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2okf h TYR 104 CO 0.03 0.28 0.00 0.87 -1.64 0.00 0.00 178.16 177.70 2okf h LYS 105 N 0.64 0.00 0.00 1.82 1.57 -0.95 -3.23 116.57 116.42 2okf h LYS 105 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2okf h LYS 105 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2okf h LYS 105 CO -0.21 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.92 2okf n THR 106 N -2.45 0.00 -0.14 -0.16 -2.24 -0.97 -4.56 114.28 103.76 2okf n THR 106 Ca 0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 2okf n THR 106 Cb 0.38 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.21 2okf n THR 106 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2okf h PHE 107 N 0.00 0.01 0.00 4.78 3.57 -1.52 -0.76 116.94 123.02 2okf h PHE 107 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2okf h PHE 107 Cb 0.00 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2okf h PHE 107 CO 0.00 -0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.19 2okf n PHE 108 N -5.19 0.00 1.02 0.41 3.72 -0.81 -2.08 117.46 114.53 2okf n PHE 108 Ca 0.04 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.55 2okf n PHE 108 Cb 0.24 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2okf n PHE 108 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2okf n GLN 109 N -1.03 0.35 -2.14 -1.08 1.13 -0.31 -3.92 117.38 110.38 2okf n GLN 109 Ca 0.18 -0.27 -0.38 0.00 -1.94 0.00 0.00 57.00 54.59 2okf n GLN 109 Cb 0.10 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 2okf n GLN 109 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2okf s LEU 110 N -2.84 4.09 0.21 1.08 1.43 -0.88 -4.90 118.68 116.86 2okf s LEU 110 Ca 0.12 2.48 -0.09 0.00 -1.03 0.00 0.00 54.13 55.61 2okf s LEU 110 Cb 0.17 -4.10 0.25 0.00 0.03 0.00 0.00 46.19 42.55 2okf s LEU 110 CO 0.75 -0.94 1.78 0.44 0.23 0.00 0.00 176.35 178.61 2okf h ASP 111 N 2.28 0.42 0.43 2.29 3.32 -1.91 -2.09 116.42 121.16 2okf h ASP 111 Ca -0.49 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2okf h ASP 111 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2okf h ASP 111 CO 0.61 0.26 -0.21 0.15 -1.72 0.00 0.00 179.24 178.33 2okf h PHE 112 N 0.57 -0.54 -0.96 4.55 3.57 -1.93 -1.44 116.94 120.76 2okf h PHE 112 Ca 0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2okf h PHE 112 Cb 0.27 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2okf h PHE 112 CO -0.11 -0.22 0.62 -1.35 -2.23 0.00 0.00 178.31 175.02 2okf h PRO 113 N -0.91 1.28 -0.40 6.41 0.11 -1.81 -0.19 132.00 136.49 2okf h PRO 113 Ca -0.06 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 66.01 2okf h PRO 113 Cb 0.57 -0.28 -0.05 0.00 0.11 0.00 0.00 31.00 31.35 2okf h PRO 113 CO 0.10 0.86 0.12 -0.22 -0.21 0.00 0.00 178.00 178.65 2okf h LYS 114 N 1.31 0.26 -0.41 1.05 3.64 -1.35 -1.40 116.57 119.67 2okf h LYS 114 Ca 0.35 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2okf h LYS 114 Cb -0.12 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2okf h LYS 114 CO -0.07 0.17 0.05 1.49 -2.27 0.00 0.00 179.45 178.82 2okf h GLU 115 N 0.27 0.69 -0.84 1.90 4.57 -0.55 -2.59 114.58 118.03 2okf h GLU 115 Ca 0.19 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2okf h GLU 115 Cb 0.19 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2okf h GLU 115 CO -0.21 0.74 0.47 0.82 -1.18 0.00 0.00 179.01 179.65 2okf h ILE 116 N 0.54 1.24 -0.27 2.32 1.08 -0.79 0.28 117.51 121.91 2okf h ILE 116 Ca 0.12 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2okf h ILE 116 Cb 0.40 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 2okf h ILE 116 CO 0.01 0.27 0.09 0.40 -0.69 0.00 0.00 178.15 178.23 2okf h ILE 117 N 1.17 0.92 -0.04 -0.67 1.08 -1.18 -1.53 117.51 117.25 2okf h ILE 117 Ca 0.30 -0.07 -0.20 0.00 -0.39 0.00 0.00 64.86 64.50 2okf h ILE 117 Cb 0.01 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 34.46 2okf h ILE 117 CO -0.05 0.04 -0.82 0.16 -0.69 0.00 0.00 178.15 176.79 2okf h ILE 118 N 0.20 1.40 0.00 -0.67 3.07 -1.09 -1.17 117.51 119.26 2okf h ILE 118 Ca 0.12 -2.31 -0.02 0.00 1.55 0.00 0.00 64.86 64.20 2okf h ILE 118 Cb 0.09 2.27 -0.00 0.00 -0.27 0.00 0.00 36.82 38.90 2okf h ILE 118 CO -0.13 0.69 -0.09 -0.33 -1.05 0.00 0.00 178.15 177.24 2okf h GLU 119 N 0.23 0.00 -0.46 0.16 5.08 -0.15 -2.72 114.58 116.73 2okf h GLU 119 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2okf h GLU 119 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2okf h GLU 119 CO 0.14 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 2okf n ASN 120 N -4.01 3.57 -3.99 1.42 3.02 -0.60 -4.98 115.26 109.69 2okf n ASN 120 Ca -0.02 -2.22 -0.31 0.00 -0.03 0.00 0.00 54.58 52.00 2okf n ASN 120 Cb 0.18 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 38.97 2okf n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2okf n GLN 121 N 0.70 -4.68 -2.52 3.52 3.00 -0.77 -4.87 117.38 111.76 2okf n GLN 121 Ca 0.18 0.52 -0.41 0.00 -0.01 0.00 0.00 57.00 57.29 2okf n GLN 121 Cb 0.61 -5.29 -0.03 0.00 0.00 0.00 0.00 30.24 25.53 2okf n GLN 121 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2okf s VAL 122 N -3.38 3.75 1.25 5.09 1.01 -0.51 -5.05 120.40 122.55 2okf s VAL 122 Ca 0.58 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 2okf s VAL 122 Cb -0.30 -4.89 0.30 0.00 0.00 0.00 0.00 36.38 31.49 2okf s VAL 122 CO 0.86 -1.81 1.08 -0.54 0.00 0.00 0.00 175.10 174.68 2okf s LYS 123 N 5.63 -1.58 -0.29 2.72 1.02 -1.26 -4.88 119.74 121.09 2okf s LYS 123 Ca 0.40 -0.04 -0.00 0.00 0.02 0.00 0.00 55.97 56.35 2okf s LYS 123 Cb -0.06 -1.55 0.18 0.00 -0.52 0.00 0.00 37.83 35.88 2okf s LYS 123 CO 0.08 -3.95 0.55 -1.17 -0.92 0.00 0.00 175.35 169.94 2okf s LEU 125 N -7.12 -1.26 -0.25 3.17 0.20 -0.00 -0.59 118.68 112.82 2okf s LEU 125 Ca 0.71 0.64 -0.15 0.00 0.69 0.00 0.00 54.13 56.02 2okf s LEU 125 Cb -0.10 1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 47.55 2okf s LEU 125 CO 0.56 -0.28 0.36 -0.69 -0.29 0.00 0.00 176.35 176.02 2okf s VAL 126 N 2.79 5.19 0.04 1.68 1.01 0.11 -0.91 120.40 130.31 2okf s VAL 126 Ca 0.18 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.81 2okf s VAL 126 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2okf s VAL 126 CO -0.21 0.19 -0.23 -0.72 0.00 0.00 0.00 175.10 174.13 2okf s TYR 127 N 1.86 2.05 -0.28 5.22 1.13 -0.65 -0.64 117.35 126.04 2okf s TYR 127 Ca 0.15 -0.39 -0.21 0.00 -1.41 0.00 0.00 57.07 55.21 2okf s TYR 127 Cb -0.15 -1.23 -0.01 0.00 -1.10 0.00 0.00 41.96 39.46 2okf s TYR 127 CO 0.09 0.10 0.65 0.34 -2.51 0.00 0.00 175.55 174.22 2okf s ASP 128 N -1.18 6.56 0.01 -0.18 -1.08 0.01 -0.55 116.67 120.27 2okf s ASP 128 Ca 0.09 0.62 -0.23 0.00 -0.52 0.00 0.00 52.55 52.51 2okf s ASP 128 Cb -0.09 -2.34 -0.17 0.00 -1.46 0.00 0.00 42.92 38.86 2okf s ASP 128 CO 0.02 -0.43 1.33 0.58 0.52 0.00 0.00 175.17 177.18 2okf h VAL 129 N 5.47 1.35 -0.56 1.11 2.07 -1.97 -0.04 116.25 123.69 2okf h VAL 129 Ca -0.26 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.02 2okf h VAL 129 Cb 1.12 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 2okf h VAL 129 CO 0.79 0.33 0.13 -0.08 0.02 0.00 0.00 177.57 178.76 2okf h GLU 130 N -0.22 0.91 0.00 1.57 4.81 -1.98 -2.99 114.58 116.68 2okf h GLU 130 Ca 0.01 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2okf h GLU 130 Cb 0.56 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2okf h GLU 130 CO 0.02 0.85 -0.65 1.04 -0.73 0.00 0.00 179.01 179.54 2okf n GLN 131 N -4.38 0.18 -3.38 1.92 1.13 -1.24 -4.98 117.38 106.63 2okf n GLN 131 Ca 0.03 0.04 -0.20 0.00 -1.94 0.00 0.00 57.00 54.93 2okf n GLN 131 Cb 0.24 -1.60 0.06 0.00 0.11 0.00 0.00 30.24 29.05 2okf n GLN 131 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2okf n GLU 132 N -1.86 -1.86 -4.12 -1.09 1.02 -0.04 -5.02 120.64 107.67 2okf n GLU 132 Ca 0.04 0.77 -0.10 0.00 -0.02 0.00 0.00 57.16 57.85 2okf n GLU 132 Cb 0.40 -5.25 -0.10 0.00 -0.02 0.00 0.00 31.44 26.47 2okf n GLU 132 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2okf s VAL 133 N -3.39 0.51 -0.26 2.62 -7.23 -1.11 -3.82 120.40 107.73 2okf s VAL 133 Ca 0.44 -1.68 -0.24 0.00 -1.81 0.00 0.00 61.98 58.69 2okf s VAL 133 Cb -0.09 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 2okf s VAL 133 CO 0.78 -0.79 0.80 -0.63 -0.31 0.00 0.00 175.10 174.96 2okf s ILE 134 N -3.13 4.84 -0.12 -0.62 1.01 -1.26 -0.81 121.20 121.10 2okf s ILE 134 Ca 0.05 1.43 -0.21 0.00 0.00 0.00 0.00 60.65 61.92 2okf s ILE 134 Cb 0.02 -4.11 -0.26 0.00 0.01 0.00 0.00 42.46 38.12 2okf s ILE 134 CO -0.05 -0.11 0.60 0.15 0.00 0.00 0.00 174.94 175.53 2okf h PHE 135 N 7.82 0.26 -1.96 3.97 3.57 -1.22 -3.48 116.94 125.89 2okf h PHE 135 Ca -0.24 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 2okf h PHE 135 Cb 1.10 -0.01 -0.21 0.00 2.79 0.00 0.00 35.95 39.62 2okf h PHE 135 CO 0.76 1.36 0.18 -1.14 -2.23 0.00 0.00 178.31 177.25 2okf s GLN 136 N -2.38 0.88 -0.18 1.11 0.74 -0.98 -5.01 119.66 113.84 2okf s GLN 136 Ca -0.20 0.73 -0.10 0.00 0.05 0.00 0.00 55.36 55.83 2okf s GLN 136 Cb 0.02 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.51 2okf s GLN 136 CO 0.72 -0.17 0.15 -1.58 -0.55 0.00 0.00 175.29 173.86 2okf s TRP 137 N -0.15 3.46 -0.30 1.67 0.52 -1.26 -0.71 118.94 122.16 2okf s TRP 137 Ca -0.03 0.41 0.03 0.00 0.02 0.00 0.00 56.10 56.52 2okf s TRP 137 Cb -0.03 -2.13 0.08 0.00 -1.15 0.00 0.00 33.47 30.23 2okf s TRP 137 CO 0.03 0.39 -0.02 0.42 0.02 0.00 0.00 176.95 177.79 2okf s ILE 138 N 0.05 2.36 -2.94 2.03 1.01 -1.26 -5.03 121.20 117.43 2okf s ILE 138 Ca 0.10 -1.91 0.24 0.00 0.00 0.00 0.00 60.65 59.09 2okf s ILE 138 Cb -0.11 -2.54 0.23 0.00 0.01 0.00 0.00 42.46 40.05 2okf s ILE 138 CO 0.00 -0.30 1.32 0.59 0.00 0.00 0.00 174.94 176.55