#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pka s ILE 17 N 0.00 5.43 0.00 1.39 -0.00 -1.26 -4.33 121.20 122.43 2pka s ILE 17 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 60.65 60.96 2pka s ILE 17 Cb 0.00 -3.45 0.00 0.00 -0.00 0.00 0.00 42.46 39.01 2pka s ILE 17 CO 0.00 0.61 0.00 0.61 -0.00 0.00 0.00 174.94 176.16 2pka n GLY 18 N 2.00 0.53 1.96 6.27 0.00 -1.26 -5.03 105.19 109.66 2pka n GLY 18 Ca -0.19 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 2pka n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pka n GLY 19 N -2.88 2.31 3.33 -0.02 0.00 -1.26 -5.14 105.19 101.53 2pka n GLY 19 Ca 0.00 -2.20 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 2pka n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pka s ARG 20 N -3.26 1.42 0.15 1.61 1.70 -1.26 -5.11 118.95 114.20 2pka s ARG 20 Ca 0.25 -1.76 -0.31 0.00 -0.47 0.00 0.00 55.73 53.43 2pka s ARG 20 Cb -0.02 -0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 33.91 2pka s ARG 20 CO 0.16 -0.26 1.56 -2.00 -1.08 0.00 0.00 175.30 173.67 2pka s GLU 21 N -4.00 4.22 0.87 3.89 2.12 -1.26 -4.97 118.70 119.58 2pka s GLU 21 Ca 0.36 2.33 -0.10 0.00 0.36 0.00 0.00 54.97 57.92 2pka s GLU 21 Cb 0.08 -3.20 0.12 0.00 0.26 0.00 0.00 34.13 31.39 2pka s GLU 21 CO 0.13 -0.60 1.14 0.00 -0.54 0.00 0.00 175.26 175.39 2pka s GLU 23 N -4.66 4.36 0.58 0.00 2.56 -1.26 -4.89 118.70 115.39 2pka s GLU 23 Ca 0.66 1.83 0.27 0.00 0.00 0.00 0.00 54.97 57.74 2pka s GLU 23 Cb -0.22 -3.45 1.66 0.00 2.00 0.00 0.00 34.13 34.12 2pka s GLU 23 CO 0.57 -0.41 2.16 -0.22 -0.56 0.00 0.00 175.26 176.80 2pka h LYS 24 N 7.24 0.00 0.00 4.30 3.64 -2.03 0.20 116.57 129.92 2pka h LYS 24 Ca -0.39 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 2pka h LYS 24 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2pka h LYS 24 CO 0.86 0.00 -0.27 -0.97 -2.27 0.00 0.00 179.45 176.80 2pka h ASN 25 N 0.00 0.00 0.12 4.20 -1.24 -2.03 -3.40 115.58 113.23 2pka h ASN 25 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2pka h ASN 25 Cb 0.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2pka h ASN 25 CO -0.00 0.27 -0.32 -1.54 -1.29 0.00 0.00 177.43 174.55 2pka n SER 26 N -3.32 1.50 -3.10 1.15 3.41 0.70 -4.58 113.62 109.38 2pka n SER 26 Ca 0.01 -1.20 -0.19 0.00 -0.26 0.00 0.00 58.87 57.22 2pka n SER 26 Cb 0.51 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 2pka n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pka n HIS 27 N -0.29 1.06 0.28 7.33 1.44 -1.26 -4.94 115.22 118.83 2pka n HIS 27 Ca 0.12 -3.79 0.17 0.00 -2.01 0.00 0.00 57.72 52.21 2pka n HIS 27 Cb 0.40 -0.43 0.70 0.00 0.12 0.00 0.00 29.99 30.79 2pka n HIS 27 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2pka h PRO 28 N 2.99 0.00 -0.00 -1.40 0.13 -1.90 -2.23 132.00 129.59 2pka h PRO 28 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2pka h PRO 28 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2pka h PRO 28 CO 0.57 0.01 -0.41 -2.67 -0.23 0.00 0.00 178.00 175.27 2pka n TRP 29 N -3.11 0.00 -2.53 1.56 4.27 -1.26 -4.73 117.44 111.64 2pka n TRP 29 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 2pka n TRP 29 Cb 0.30 -0.18 -0.02 0.00 -1.36 0.00 0.00 31.31 30.04 2pka n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2pka s GLN 30 N -2.77 4.30 0.00 -2.67 2.00 -0.84 -0.43 119.66 119.25 2pka s GLN 30 Ca 0.17 1.55 -0.04 0.00 -2.00 0.00 0.00 55.36 55.04 2pka s GLN 30 Cb 0.18 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 2pka s GLN 30 CO 0.62 -0.55 0.22 0.08 -0.50 0.00 0.00 175.29 175.16 2pka s VAL 31 N 2.83 5.38 -0.23 1.34 1.01 -0.96 -4.31 120.40 125.46 2pka s VAL 31 Ca 0.52 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 2pka s VAL 31 Cb -0.20 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2pka s VAL 31 CO 0.15 0.33 -0.01 0.00 0.00 0.00 0.00 175.10 175.57 2pka s ALA 32 N -1.33 2.92 -0.19 5.51 0.00 -0.32 -1.82 121.76 126.54 2pka s ALA 32 Ca 0.28 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 2pka s ALA 32 Cb -0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2pka s ALA 32 CO 0.18 -0.44 0.02 0.42 0.00 0.00 0.00 175.76 175.94 2pka s ILE 33 N 1.50 4.29 0.00 0.00 1.01 0.56 -1.27 121.20 127.29 2pka s ILE 33 Ca 0.06 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2pka s ILE 33 Cb -0.14 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2pka s ILE 33 CO -0.01 0.44 -0.07 -0.31 0.00 0.00 0.00 174.94 174.99 2pka s TYR 34 N 0.70 2.87 -0.32 3.97 2.02 -0.26 -1.61 117.35 124.72 2pka s TYR 34 Ca 0.01 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2pka s TYR 34 Cb -0.14 -1.61 0.07 0.00 -0.40 0.00 0.00 41.96 39.88 2pka s TYR 34 CO 0.02 0.37 0.04 -1.01 -1.57 0.00 0.00 175.55 173.39 2pka s HIS 35 N -0.99 3.37 -1.31 2.71 3.76 0.33 -0.50 115.29 122.66 2pka s HIS 35 Ca 0.17 -2.09 -0.04 0.00 -0.15 0.00 0.00 55.06 52.95 2pka s HIS 35 Cb -0.11 -2.38 -0.00 0.00 1.11 0.00 0.00 32.58 31.19 2pka s HIS 35 CO 0.07 -0.85 0.61 0.66 -0.85 0.00 0.00 174.74 174.37 2pka n TYR 36 N 4.58 -1.82 -1.95 1.40 4.02 -1.26 -2.06 117.16 120.08 2pka n TYR 36 Ca -0.10 0.74 -0.15 0.00 -0.01 0.00 0.00 57.90 58.38 2pka n TYR 36 Cb 0.43 -3.97 -0.03 0.00 -0.02 0.00 0.00 39.34 35.75 2pka n TYR 36 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2pka n SER 38 N -2.97 -4.63 -4.00 7.72 7.64 -1.26 -4.99 113.62 111.13 2pka n SER 38 Ca -0.27 0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.46 2pka n SER 38 Cb 0.67 -3.64 -0.17 0.00 -1.01 0.00 0.00 64.21 60.06 2pka n SER 38 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pka s SER 39 N -2.53 2.61 0.11 6.43 0.15 -0.87 -5.10 113.70 114.49 2pka s SER 39 Ca 0.00 -0.46 -0.31 0.00 0.70 0.00 0.00 55.95 55.88 2pka s SER 39 Cb 0.00 -1.12 -0.09 0.00 -1.71 0.00 0.00 66.02 63.10 2pka s SER 39 CO 0.00 -0.07 1.67 0.12 1.20 0.00 0.00 173.24 176.16 2pka s PHE 40 N 1.53 2.57 0.05 3.44 5.36 -1.26 -0.51 117.98 129.15 2pka s PHE 40 Ca 0.05 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 2pka s PHE 40 Cb -0.13 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 2pka s PHE 40 CO -0.10 -3.97 0.00 1.04 -1.46 0.00 0.00 175.22 170.73 2pka n GLN 41 N 5.08 0.00 -4.31 10.12 1.13 -0.64 -4.90 117.38 123.87 2pka n GLN 41 Ca 0.16 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 55.05 2pka n GLN 41 Cb 0.39 -0.38 -0.10 0.00 0.11 0.00 0.00 30.24 30.26 2pka n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pka n GLY 43 N -0.49 2.30 3.03 0.00 0.00 -1.26 -0.32 105.19 108.44 2pka n GLY 43 Ca 0.01 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 2pka n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pka n GLY 44 N 1.16 0.64 3.15 -0.02 0.00 -0.76 -4.66 105.19 104.70 2pka n GLY 44 Ca 0.05 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 2pka n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pka s VAL 45 N -2.14 1.22 -0.62 1.61 1.01 0.59 -2.27 120.40 119.80 2pka s VAL 45 Ca 0.19 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 2pka s VAL 45 Cb -0.02 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.36 2pka s VAL 45 CO 0.03 0.21 1.03 -0.22 0.00 0.00 0.00 175.10 176.15 2pka s LEU 46 N -0.71 3.97 0.27 3.92 2.96 0.43 -0.67 118.68 128.85 2pka s LEU 46 Ca 0.05 -0.51 0.23 0.00 -0.22 0.00 0.00 54.13 53.67 2pka s LEU 46 Cb -0.07 -2.70 0.14 0.00 0.50 0.00 0.00 46.19 44.07 2pka s LEU 46 CO 0.00 -1.42 1.25 -0.37 -1.32 0.00 0.00 176.35 174.50 2pka h VAL 47 N 6.02 0.00 -1.45 1.68 -1.51 -1.56 -3.48 116.25 115.95 2pka h VAL 47 Ca -0.27 -0.96 0.10 0.00 -1.23 0.00 0.00 66.70 64.34 2pka h VAL 47 Cb 1.07 1.63 -0.27 0.00 -2.13 0.00 0.00 31.29 31.59 2pka h VAL 47 CO 1.16 0.00 0.60 0.21 -1.23 0.00 0.00 177.57 178.30 2pka s ASN 48 N -5.55 -0.32 0.56 4.19 2.47 -1.18 -4.95 114.94 110.16 2pka s ASN 48 Ca 0.02 0.54 0.23 0.00 0.42 0.00 0.00 52.86 54.08 2pka s ASN 48 Cb 0.08 0.52 1.26 0.00 -1.45 0.00 0.00 41.25 41.66 2pka s ASN 48 CO 0.74 -0.17 1.68 -0.65 -3.72 0.00 0.00 177.10 174.99 2pka h PRO 49 N 3.42 0.00 0.00 0.43 0.11 -2.02 0.28 132.00 134.22 2pka h PRO 49 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2pka h PRO 49 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pka h PRO 49 CO 0.18 0.00 -0.98 1.63 -0.21 0.00 0.00 178.00 178.62 2pka n LYS 50 N -2.61 0.85 -5.18 1.05 5.02 -1.26 -4.99 118.16 111.05 2pka n LYS 50 Ca -0.02 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 2pka n LYS 50 Cb 0.39 -1.38 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 2pka n LYS 50 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pka s TRP 51 N -2.81 2.50 -0.06 2.13 0.52 0.99 -5.10 118.94 117.11 2pka s TRP 51 Ca 0.05 -0.63 0.02 0.00 0.02 0.00 0.00 56.10 55.57 2pka s TRP 51 Cb 0.14 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.81 2pka s TRP 51 CO 0.76 -0.15 -0.11 0.08 0.02 0.00 0.00 176.95 177.55 2pka s VAL 52 N -0.22 3.32 -0.15 4.03 1.01 -1.26 -1.36 120.40 125.77 2pka s VAL 52 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2pka s VAL 52 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2pka s VAL 52 CO 0.03 0.59 -0.03 -0.22 0.00 0.00 0.00 175.10 175.47 2pka s LEU 53 N -0.71 3.29 0.00 3.92 2.96 0.16 -4.92 118.68 123.38 2pka s LEU 53 Ca 0.11 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2pka s LEU 53 Cb -0.11 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2pka s LEU 53 CO 0.01 0.19 0.00 1.07 -1.32 0.00 0.00 176.35 176.30 2pka n THR 54 N 3.42 0.00 -3.12 3.68 5.66 -1.26 -0.30 114.28 122.36 2pka n THR 54 Ca -0.17 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.47 2pka n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 2pka n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pka s ALA 55 N -2.00 3.43 0.49 1.79 0.00 -1.26 -4.95 121.76 119.26 2pka s ALA 55 Ca 0.00 0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.32 2pka s ALA 55 Cb 0.00 -2.79 1.41 0.00 0.00 0.00 0.00 23.12 21.74 2pka s ALA 55 CO 0.00 0.34 2.12 0.00 0.00 0.00 0.00 175.76 178.22 2pka h ALA 56 N 3.41 1.59 0.00 0.00 0.00 -1.99 0.16 119.26 122.44 2pka h ALA 56 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2pka h ALA 56 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2pka h ALA 56 CO 0.65 0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.61 2pka n HIS 57 N -4.04 0.00 0.60 0.00 1.44 -1.26 -2.07 115.22 109.88 2pka n HIS 57 Ca -0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 2pka n HIS 57 Cb 0.17 -0.02 0.26 0.00 0.12 0.00 0.00 29.99 30.51 2pka n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pka n LYS 59 N 0.89 1.74 -4.21 0.00 3.00 -0.88 -4.99 118.16 113.71 2pka n LYS 59 Ca 0.17 0.63 -0.17 0.00 -0.00 0.00 0.00 58.31 58.94 2pka n LYS 59 Cb 0.43 -2.35 -0.07 0.00 0.00 0.00 0.00 35.03 33.04 2pka n LYS 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2pka s ASN 60 N 1.20 1.30 0.00 3.14 2.47 -1.26 -5.05 114.94 116.73 2pka s ASN 60 Ca 0.83 -1.63 0.22 0.00 0.42 0.00 0.00 52.86 52.69 2pka s ASN 60 Cb -0.80 0.58 -0.15 0.00 -1.45 0.00 0.00 41.25 39.44 2pka s ASN 60 CO 0.44 -1.14 0.97 -0.90 -3.72 0.00 0.00 177.10 172.75 2pka n ASP 61 N -1.41 1.37 -3.85 -4.21 3.85 -1.26 -4.87 116.55 106.17 2pka n ASP 61 Ca 0.05 -1.18 -0.14 0.00 -0.71 0.00 0.00 54.79 52.81 2pka n ASP 61 Cb 0.62 0.81 -0.15 0.00 -1.35 0.00 0.00 41.12 41.06 2pka n ASP 61 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 2pka s ASN 62 N -2.82 0.11 0.02 -1.12 2.47 -1.26 -5.14 114.94 107.20 2pka s ASN 62 Ca 0.12 0.00 0.04 0.00 0.42 0.00 0.00 52.86 53.44 2pka s ASN 62 Cb 0.17 -0.04 -0.02 0.00 -1.45 0.00 0.00 41.25 39.91 2pka s ASN 62 CO 0.76 -0.04 -0.12 -0.31 -3.72 0.00 0.00 177.10 173.68 2pka s TYR 63 N 0.37 1.04 0.07 0.43 1.51 -1.26 -4.16 117.35 115.36 2pka s TYR 63 Ca -0.03 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 2pka s TYR 63 Cb -0.05 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 2pka s TYR 63 CO -0.01 0.00 -0.21 -1.21 -1.11 0.00 0.00 175.55 173.01 2pka s GLU 64 N -0.88 1.26 -0.07 -0.62 8.01 0.34 -3.66 118.70 123.09 2pka s GLU 64 Ca 0.01 -1.06 0.01 0.00 0.01 0.00 0.00 54.97 53.94 2pka s GLU 64 Cb -0.07 -1.46 0.02 0.00 -4.31 0.00 0.00 34.13 28.31 2pka s GLU 64 CO 0.01 0.36 -0.07 0.08 0.01 0.00 0.00 175.26 175.64 2pka s VAL 65 N -0.98 0.82 -0.21 2.63 1.01 0.37 -1.11 120.40 122.93 2pka s VAL 65 Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 2pka s VAL 65 Cb -0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2pka s VAL 65 CO 0.03 0.30 0.00 0.26 0.00 0.00 0.00 175.10 175.69 2pka s TRP 66 N 1.15 3.03 0.17 5.22 0.52 -0.40 -0.38 118.94 128.25 2pka s TRP 66 Ca -0.06 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.58 2pka s TRP 66 Cb -0.14 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 2pka s TRP 66 CO -0.01 -0.30 0.11 -0.51 0.02 0.00 0.00 176.95 176.25 2pka s LEU 67 N 1.14 3.69 -0.67 2.99 1.02 0.13 -1.17 118.68 125.81 2pka s LEU 67 Ca 0.03 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2pka s LEU 67 Cb -0.14 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2pka s LEU 67 CO 0.01 0.07 0.00 0.61 0.02 0.00 0.00 176.35 177.07 2pka n GLY 69 N -0.30 0.81 3.74 -3.19 0.00 -1.26 -1.27 105.19 103.72 2pka n GLY 69 Ca -0.09 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 2pka n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pka s ARG 70 N -2.70 2.68 0.03 1.61 0.52 -1.26 -3.72 118.95 116.11 2pka s ARG 70 Ca 0.00 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2pka s ARG 70 Cb 0.00 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.95 2pka s ARG 70 CO 0.00 0.47 0.00 1.58 0.02 0.00 0.00 175.30 177.37 2pka n HIS 71 N -0.24 -0.22 -3.76 -0.53 -0.00 -1.26 -5.00 115.22 104.22 2pka n HIS 71 Ca -0.09 0.04 -0.37 0.00 -0.00 0.00 0.00 57.72 57.30 2pka n HIS 71 Cb 0.55 0.27 -0.12 0.00 -0.00 0.00 0.00 29.99 30.69 2pka n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2pka s ASN 72 N -5.08 5.29 0.37 0.26 2.47 -1.26 -4.99 114.94 112.00 2pka s ASN 72 Ca 0.00 -1.41 0.06 0.00 0.42 0.00 0.00 52.86 51.93 2pka s ASN 72 Cb 0.00 -1.85 0.73 0.00 -1.45 0.00 0.00 41.25 38.67 2pka s ASN 72 CO 0.00 -0.40 1.95 -0.07 -3.72 0.00 0.00 177.10 174.86 2pka h LEU 73 N 8.18 0.45 -4.31 3.21 3.38 -2.02 -2.94 115.31 121.26 2pka h LEU 73 Ca -0.21 -0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.04 2pka h LEU 73 Cb 1.07 -0.12 -0.33 0.00 0.09 0.00 0.00 40.66 41.38 2pka h LEU 73 CO 0.64 0.45 0.37 0.49 0.09 0.00 0.00 178.44 180.48 2pka n PHE 74 N -4.36 3.10 -3.85 1.13 3.72 -1.26 -4.93 117.46 111.00 2pka n PHE 74 Ca 0.02 -2.69 -0.09 0.00 -0.05 0.00 0.00 57.45 54.64 2pka n PHE 74 Cb 0.17 -0.96 -0.07 0.00 -0.94 0.00 0.00 39.48 37.68 2pka n PHE 74 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2pka s GLU 75 N -3.81 0.94 -0.30 -1.08 2.02 -1.11 -5.15 118.70 110.20 2pka s GLU 75 Ca 0.56 -0.98 -0.21 0.00 0.02 0.00 0.00 54.97 54.37 2pka s GLU 75 Cb 0.45 0.36 -0.01 0.00 0.10 0.00 0.00 34.13 35.04 2pka s GLU 75 CO -0.14 -0.32 0.67 -0.80 0.02 0.00 0.00 175.26 174.68 2pka s ASN 76 N -2.88 6.54 -0.16 -0.19 0.02 -1.26 -4.91 114.94 112.10 2pka s ASN 76 Ca 0.07 0.48 -0.01 0.00 -1.02 0.00 0.00 52.86 52.39 2pka s ASN 76 Cb 0.04 -2.35 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 2pka s ASN 76 CO -0.09 -0.51 -0.12 -1.61 0.02 0.00 0.00 177.10 174.79 2pka s GLU 77 N 2.69 3.33 0.29 -0.60 2.02 -1.26 -4.99 118.70 120.18 2pka s GLU 77 Ca 0.27 -0.69 0.20 0.00 0.02 0.00 0.00 54.97 54.76 2pka s GLU 77 Cb -0.15 -2.71 1.07 0.00 0.10 0.00 0.00 34.13 32.44 2pka s GLU 77 CO 0.12 0.06 1.60 0.09 0.02 0.00 0.00 175.26 177.15 2pka n ASN 78 N 3.97 0.51 0.07 -0.19 3.02 -1.26 -1.19 115.26 120.19 2pka n ASN 78 Ca -0.18 0.74 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 2pka n ASN 78 Cb 0.52 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 2pka n ASN 78 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2pka n THR 79 N -2.19 0.40 -1.90 3.41 -2.24 -1.26 -4.95 114.28 105.55 2pka n THR 79 Ca -0.01 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 2pka n THR 79 Cb 0.04 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 2pka n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pka s ALA 80 N -3.31 3.67 -0.08 6.98 0.00 -0.33 -4.43 121.76 124.26 2pka s ALA 80 Ca 0.01 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.46 2pka s ALA 80 Cb 0.12 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2pka s ALA 80 CO 0.79 -0.86 -0.23 -0.65 0.00 0.00 0.00 175.76 174.81 2pka s GLN 81 N -0.64 2.82 -0.16 0.00 -0.21 -0.39 -4.98 119.66 116.09 2pka s GLN 81 Ca 0.60 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 55.06 2pka s GLN 81 Cb -0.45 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 2pka s GLN 81 CO 0.47 0.29 -0.02 0.12 -2.12 0.00 0.00 175.29 174.03 2pka s PHE 82 N 0.07 3.05 0.16 0.91 5.99 -1.26 -0.69 117.98 126.20 2pka s PHE 82 Ca -0.10 -0.28 0.05 0.00 0.00 0.00 0.00 56.93 56.60 2pka s PHE 82 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 43.02 40.83 2pka s PHE 82 CO 0.06 -0.04 -0.12 -0.06 -0.00 0.00 0.00 175.22 175.06 2pka s PHE 83 N 0.44 1.39 0.30 10.12 0.40 0.49 -5.00 117.98 126.13 2pka s PHE 83 Ca -0.03 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.68 2pka s PHE 83 Cb -0.14 -0.69 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 2pka s PHE 83 CO 0.03 0.16 0.38 0.20 0.70 0.00 0.00 175.22 176.68 2pka s GLY 84 N -3.12 1.52 -0.11 4.36 0.00 -1.26 -0.48 107.32 108.23 2pka s GLY 84 Ca 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2pka s GLY 84 CO 0.02 -1.40 -0.11 0.14 0.00 0.00 0.00 173.10 171.75 2pka s VAL 85 N -2.15 3.25 -0.10 1.40 1.01 -1.24 -4.89 120.40 117.67 2pka s VAL 85 Ca 0.40 -0.61 0.20 0.00 0.00 0.00 0.00 61.98 61.97 2pka s VAL 85 Cb -0.08 -2.35 -0.26 0.00 0.00 0.00 0.00 36.38 33.68 2pka s VAL 85 CO 0.29 0.54 0.46 0.35 0.00 0.00 0.00 175.10 176.75 2pka n THR 86 N 3.13 0.55 -3.61 3.92 -2.24 -1.26 -4.93 114.28 109.84 2pka n THR 86 Ca -0.18 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 60.82 2pka n THR 86 Cb 0.53 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 2pka n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pka s ALA 87 N -3.17 -1.43 0.04 6.98 0.00 -1.26 -5.17 121.76 117.75 2pka s ALA 87 Ca -0.07 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.01 2pka s ALA 87 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2pka s ALA 87 CO 0.87 -0.33 -0.25 0.16 0.00 0.00 0.00 175.76 176.21 2pka s ASP 88 N -1.09 3.25 -0.58 0.00 -4.77 -1.26 -5.10 116.67 107.12 2pka s ASP 88 Ca -0.11 -0.56 0.05 0.00 -3.30 0.00 0.00 52.55 48.63 2pka s ASP 88 Cb -0.02 -0.34 0.18 0.00 -1.09 0.00 0.00 42.92 41.66 2pka s ASP 88 CO 0.07 0.26 0.47 0.49 0.70 0.00 0.00 175.17 177.17 2pka n PHE 89 N 1.79 1.64 -2.39 2.11 3.01 -1.26 -5.10 117.46 117.26 2pka n PHE 89 Ca -0.17 -3.91 -0.36 0.00 1.01 0.00 0.00 57.45 54.02 2pka n PHE 89 Cb 0.52 -0.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 2pka n PHE 89 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2pka s PRO 90 N -1.05 3.86 0.09 -1.08 0.04 -1.26 -4.98 135.00 130.62 2pka s PRO 90 Ca 0.30 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 2pka s PRO 90 Cb 0.02 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 2pka s PRO 90 CO -0.16 -0.43 1.49 -1.58 0.04 0.00 0.00 177.00 176.37 2pka s HIS 91 N -1.66 2.91 0.58 0.56 2.46 -1.26 -4.90 115.29 113.98 2pka s HIS 91 Ca 0.63 0.70 0.28 0.00 0.47 0.00 0.00 55.06 57.13 2pka s HIS 91 Cb -0.24 -3.80 1.69 0.00 -0.13 0.00 0.00 32.58 30.10 2pka s HIS 91 CO 0.30 -2.98 2.18 -1.35 -2.47 0.00 0.00 174.74 170.42 2pka h PRO 92 N 7.41 0.00 -0.00 2.88 0.10 -2.05 -1.88 132.00 138.46 2pka h PRO 92 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.69 2pka h PRO 92 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 2pka h PRO 92 CO 0.90 0.00 -0.01 0.41 0.10 0.00 0.00 178.00 179.40 2pka n GLY 93 N -1.39 -1.03 3.75 -0.55 0.00 -1.26 -4.85 105.19 99.86 2pka n GLY 93 Ca -0.01 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2pka n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pka s PHE 94 N -2.24 3.92 -0.12 1.61 2.19 -0.71 -4.18 117.98 118.46 2pka s PHE 94 Ca 0.39 1.88 -0.08 0.00 0.33 0.00 0.00 56.93 59.45 2pka s PHE 94 Cb 0.21 -3.02 0.03 0.00 -1.31 0.00 0.00 43.02 38.93 2pka s PHE 94 CO 0.41 0.32 0.15 -1.71 1.83 0.00 0.00 175.22 176.23 2pka n ASN 95 N 1.71 -1.03 -3.89 6.13 4.05 -1.26 -4.70 115.26 116.27 2pka n ASN 95 Ca -0.01 0.84 -0.24 0.00 0.45 0.00 0.00 54.58 55.61 2pka n ASN 95 Cb 0.47 -3.66 -0.08 0.00 1.23 0.00 0.00 39.78 37.75 2pka n ASN 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pka n LEU 95 N 1.04 -0.73 0.00 1.20 -0.00 -1.26 -5.23 117.00 112.03 2pka n LEU 95 Ca -0.26 -0.98 0.00 0.00 -0.00 0.00 0.00 56.01 54.77 2pka n LEU 95 Cb 0.40 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 2pka n LEU 95 CO 0.25 0.34 0.00 -0.24 -0.00 0.00 0.00 177.39 177.74