#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 5.39 0.00 1.39 2.07 -1.26 -4.40 121.20 124.39 2pka s ILE 17 Ca 0.00 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 2pka s ILE 17 Cb 0.00 -3.46 0.00 0.00 0.13 0.00 0.00 42.46 39.13 2pka s ILE 17 CO 0.00 0.44 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 2pka n GLY 18 N 3.53 0.42 0.00 1.50 0.00 -1.26 -5.02 105.19 104.36 2pka n GLY 18 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.98 2.30 3.16 -0.02 0.00 -1.26 -5.14 105.19 101.24 2pka n GLY 19 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 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 0.97 0.66 0.18 1.61 1.70 -1.26 -5.13 118.95 117.68 2pka s ARG 20 Ca 0.00 -0.70 -0.33 0.00 -0.47 0.00 0.00 55.73 54.23 2pka s ARG 20 Cb 0.00 0.27 -0.14 0.00 -0.57 0.00 0.00 34.95 34.51 2pka s ARG 20 CO 0.00 -0.18 1.55 -1.91 -1.08 0.00 0.00 175.30 173.68 2pka n GLU 21 N 0.68 2.17 -1.08 3.89 2.13 -1.26 -4.94 120.64 122.23 2pka n GLU 21 Ca -0.19 0.78 -0.31 0.00 0.66 0.00 0.00 57.16 58.10 2pka n GLU 21 Cb 0.59 -2.53 0.12 0.00 0.27 0.00 0.00 31.44 29.89 2pka n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pka s GLU 23 N -4.82 4.74 0.52 0.00 2.56 -1.26 -4.90 118.70 115.53 2pka s GLU 23 Ca 0.63 1.44 0.32 0.00 0.00 0.00 0.00 54.97 57.36 2pka s GLU 23 Cb -0.19 -3.34 1.46 0.00 2.00 0.00 0.00 34.13 34.06 2pka s GLU 23 CO 0.57 0.33 1.82 0.87 -0.56 0.00 0.00 175.26 178.29 2pka h LYS 24 N 5.07 0.07 -0.90 4.30 6.56 -2.03 -1.25 116.57 128.39 2pka h LYS 24 Ca -0.44 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.18 2pka h LYS 24 Cb 1.21 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.80 2pka h LYS 24 CO 0.70 0.04 0.58 -0.91 -2.06 0.00 0.00 179.45 177.81 2pka h ASN 25 N 0.07 0.97 0.70 0.86 4.21 -2.04 -3.40 115.58 116.96 2pka h ASN 25 Ca 0.53 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.03 2pka h ASN 25 Cb 1.97 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.95 2pka h ASN 25 CO -0.06 0.67 -0.32 -1.54 -1.29 0.00 0.00 177.43 174.89 2pka n SER 26 N -4.51 0.33 -2.86 5.81 3.41 -0.47 -4.51 113.62 110.81 2pka n SER 26 Ca 0.11 0.04 -0.18 0.00 -0.26 0.00 0.00 58.87 58.58 2pka n SER 26 Cb 0.09 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.53 1.70 0.28 7.33 1.44 -1.26 -4.94 115.22 118.23 2pka n HIS 27 Ca 0.06 -3.41 0.18 0.00 -2.01 0.00 0.00 57.72 52.53 2pka n HIS 27 Cb 0.34 -0.37 0.94 0.00 0.12 0.00 0.00 29.99 31.03 2pka n HIS 27 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 2pka h PRO 28 N 2.93 0.00 0.00 -1.40 0.10 -1.90 -2.19 132.00 129.55 2pka h PRO 28 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.17 2pka h PRO 28 Cb 0.94 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.04 2pka h PRO 28 CO 0.61 0.00 -0.70 -2.67 0.10 0.00 0.00 178.00 175.34 2pka n TRP 29 N -3.58 0.52 -2.27 0.65 4.27 -1.26 -4.76 117.44 111.01 2pka n TRP 29 Ca -0.01 0.15 -0.42 0.00 -3.89 0.00 0.00 57.50 53.33 2pka n TRP 29 Cb 0.19 -0.63 -0.03 0.00 -1.36 0.00 0.00 31.31 29.49 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 -3.18 4.29 0.06 -2.67 2.00 -0.82 -0.91 119.66 118.43 2pka s GLN 30 Ca 0.06 1.90 -0.02 0.00 -2.00 0.00 0.00 55.36 55.29 2pka s GLN 30 Cb 0.13 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 2pka s GLN 30 CO 0.74 -0.56 0.24 0.08 -0.50 0.00 0.00 175.29 175.29 2pka s VAL 31 N 2.45 5.34 -0.27 1.34 1.01 -0.67 -4.41 120.40 125.20 2pka s VAL 31 Ca 0.62 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 2pka s VAL 31 Cb -0.30 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2pka s VAL 31 CO 0.25 0.18 -0.00 0.00 0.00 0.00 0.00 175.10 175.53 2pka s ALA 32 N -1.48 2.85 -0.16 5.51 0.00 -0.49 -2.17 121.76 125.81 2pka s ALA 32 Ca 0.34 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 2pka s ALA 32 Cb -0.13 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 2pka s ALA 32 CO 0.24 -0.85 0.03 0.42 0.00 0.00 0.00 175.76 175.60 2pka s ILE 33 N 1.40 4.48 0.04 0.00 1.01 0.80 -0.71 121.20 128.23 2pka s ILE 33 Ca 0.01 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.57 2pka s ILE 33 Cb -0.17 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2pka s ILE 33 CO -0.02 0.50 -0.13 -0.31 0.00 0.00 0.00 174.94 174.98 2pka s TYR 34 N 0.10 2.68 -0.07 3.97 2.02 0.01 -0.55 117.35 125.51 2pka s TYR 34 Ca 0.03 -0.18 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2pka s TYR 34 Cb -0.13 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2pka s TYR 34 CO 0.01 0.31 -0.21 -1.01 -1.57 0.00 0.00 175.55 173.08 2pka s HIS 35 N -0.99 2.55 -1.72 2.71 3.76 0.02 -1.49 115.29 120.14 2pka s HIS 35 Ca 0.16 -0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 54.25 2pka s HIS 35 Cb -0.11 -1.66 0.14 0.00 1.11 0.00 0.00 32.58 32.06 2pka s HIS 35 CO 0.07 -0.19 0.34 0.66 -0.85 0.00 0.00 174.74 174.77 2pka n TYR 36 N 3.04 -1.18 -1.68 1.40 4.02 -1.26 -1.04 117.16 120.45 2pka n TYR 36 Ca -0.18 0.65 -0.11 0.00 -0.01 0.00 0.00 57.90 58.25 2pka n TYR 36 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 39.34 37.59 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 -2.59 -3.95 -4.18 7.72 7.64 -1.26 -5.04 113.62 111.96 2pka n SER 38 Ca -0.07 0.15 -0.28 0.00 1.01 0.00 0.00 58.87 59.68 2pka n SER 38 Cb 0.55 -2.72 -0.16 0.00 -1.01 0.00 0.00 64.21 60.86 2pka n SER 38 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2pka s SER 39 N -2.74 2.45 -0.16 6.43 0.01 -0.21 -5.07 113.70 114.42 2pka s SER 39 Ca 0.00 -0.40 -0.39 0.00 1.31 0.00 0.00 55.95 56.47 2pka s SER 39 Cb 0.00 -0.65 -0.16 0.00 0.21 0.00 0.00 66.02 65.41 2pka s SER 39 CO 0.00 0.19 1.59 0.33 0.41 0.00 0.00 173.24 175.76 2pka n PHE 40 N 3.05 1.83 0.00 2.43 7.35 -1.26 -0.80 117.46 130.06 2pka n PHE 40 Ca -0.18 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 2pka n PHE 40 Cb 0.53 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.95 2pka n PHE 40 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2pka n GLN 41 N 4.29 0.00 -4.40 -4.13 1.13 0.28 -4.84 117.38 109.71 2pka n GLN 41 Ca 0.24 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.10 2pka n GLN 41 Cb 0.14 -0.13 -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 s GLY 43 N -3.42 1.76 0.23 0.00 0.00 -1.26 -0.14 107.32 104.50 2pka s GLY 43 Ca 0.36 -1.54 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 2pka s GLY 43 CO 0.15 -1.01 0.88 -0.32 0.00 0.00 0.00 173.10 172.80 2pka s GLY 44 N -4.69 -0.02 -0.03 0.20 0.00 -0.92 -4.65 107.32 97.20 2pka s GLY 44 Ca 0.65 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.14 2pka s GLY 44 CO 0.44 0.37 -0.01 0.14 0.00 0.00 0.00 173.10 174.04 2pka s VAL 45 N -3.05 0.26 -0.40 1.40 1.01 0.02 -1.67 120.40 117.99 2pka s VAL 45 Ca 0.14 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2pka s VAL 45 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2pka s VAL 45 CO 0.06 0.16 1.80 -0.22 0.00 0.00 0.00 175.10 176.89 2pka s LEU 46 N 0.88 3.47 -0.02 3.92 2.96 -0.09 -0.05 118.68 129.76 2pka s LEU 46 Ca -0.10 1.07 0.11 0.00 -0.22 0.00 0.00 54.13 55.00 2pka s LEU 46 Cb -0.13 -3.29 -0.23 0.00 0.50 0.00 0.00 46.19 43.04 2pka s LEU 46 CO -0.01 -1.85 0.74 -0.37 -1.32 0.00 0.00 176.35 173.54 2pka h VAL 47 N 6.82 0.96 -2.69 1.68 -1.51 -1.45 -3.48 116.25 116.58 2pka h VAL 47 Ca -0.31 -2.79 -0.11 0.00 -1.23 0.00 0.00 66.70 62.26 2pka h VAL 47 Cb 1.16 2.48 -0.22 0.00 -2.13 0.00 0.00 31.29 32.59 2pka h VAL 47 CO 1.08 0.56 -0.17 0.21 -1.23 0.00 0.00 177.57 178.02 2pka s ASN 48 N -6.21 -0.40 0.14 4.19 2.47 -1.03 -4.97 114.94 109.14 2pka s ASN 48 Ca -0.04 0.62 0.08 0.00 0.42 0.00 0.00 52.86 53.93 2pka s ASN 48 Cb 0.08 0.67 0.42 0.00 -1.45 0.00 0.00 41.25 40.98 2pka s ASN 48 CO 0.82 -0.31 1.17 -2.65 -3.72 0.00 0.00 177.10 172.42 2pka n PRO 49 N 2.09 0.05 0.00 0.43 -0.02 -1.26 -0.54 135.00 135.75 2pka n PRO 49 Ca -0.17 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2pka n PRO 49 Cb 0.57 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 2pka n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pka n LYS 50 N -1.74 2.05 -4.34 -0.52 5.02 -1.26 -5.02 118.16 112.35 2pka n LYS 50 Ca -0.01 -0.51 -0.18 0.00 -2.02 0.00 0.00 58.31 55.60 2pka n LYS 50 Cb 0.11 -1.19 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.90 0.82 -0.08 2.13 0.52 0.30 -5.11 118.94 115.62 2pka s TRP 51 Ca 0.10 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.06 2pka s TRP 51 Cb 0.11 -0.52 -0.02 0.00 -1.15 0.00 0.00 33.47 31.89 2pka s TRP 51 CO 0.42 -0.01 -0.15 0.08 0.02 0.00 0.00 176.95 177.30 2pka s VAL 52 N -0.32 2.91 -0.18 4.03 1.01 -1.26 -1.08 120.40 125.51 2pka s VAL 52 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 2pka s VAL 52 Cb -0.04 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2pka s VAL 52 CO -0.00 0.56 0.03 -0.22 0.00 0.00 0.00 175.10 175.47 2pka s LEU 53 N -0.23 3.57 0.00 3.92 2.96 0.93 -4.90 118.68 124.93 2pka s LEU 53 Ca 0.01 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2pka s LEU 53 Cb -0.13 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 2pka s LEU 53 CO 0.03 0.15 0.06 1.07 -1.32 0.00 0.00 176.35 176.34 2pka n THR 54 N 3.70 0.00 -3.16 3.68 5.66 -1.26 -0.79 114.28 122.10 2pka n THR 54 Ca -0.17 -0.37 -0.34 0.00 -3.05 0.00 0.00 64.05 60.12 2pka n THR 54 Cb 0.52 0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 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 -2.05 3.39 -0.63 1.79 0.00 -1.26 -4.95 121.76 118.05 2pka s ALA 55 Ca 0.06 0.05 0.24 0.00 0.00 0.00 0.00 51.96 52.31 2pka s ALA 55 Cb 0.00 -2.74 0.91 0.00 0.00 0.00 0.00 23.12 21.29 2pka s ALA 55 CO 0.04 0.35 1.71 0.00 0.00 0.00 0.00 175.76 177.87 2pka n ALA 56 N 0.15 1.85 1.32 0.00 0.00 -1.26 -1.85 120.51 120.72 2pka n ALA 56 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2pka n ALA 56 Cb 0.52 -1.40 0.68 0.00 0.00 0.00 0.00 19.45 19.26 2pka n ALA 56 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2pka n HIS 57 N -2.13 0.00 0.48 0.00 1.44 -1.26 -2.05 115.22 111.70 2pka n HIS 57 Ca 0.03 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.80 2pka n HIS 57 Cb 0.28 -0.22 0.19 0.00 0.12 0.00 0.00 29.99 30.37 2pka n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pka s LYS 59 N -1.60 4.24 0.18 0.00 2.47 -0.87 -5.00 119.74 119.17 2pka s LYS 59 Ca 0.28 2.24 -0.12 0.00 -1.56 0.00 0.00 55.97 56.81 2pka s LYS 59 Cb 0.17 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 2pka s LYS 59 CO 0.16 -0.60 0.39 1.21 0.16 0.00 0.00 175.35 176.67 2pka s ASN 60 N 1.59 -0.08 0.00 1.43 2.47 -1.26 -5.05 114.94 114.04 2pka s ASN 60 Ca 0.69 -0.74 0.19 0.00 0.42 0.00 0.00 52.86 53.43 2pka s ASN 60 Cb -0.40 0.50 0.54 0.00 -1.45 0.00 0.00 41.25 40.45 2pka s ASN 60 CO 0.31 -0.98 1.45 -0.90 -3.72 0.00 0.00 177.10 173.26 2pka n ASP 61 N -0.28 3.28 -3.83 -4.21 3.85 -1.26 -4.79 116.55 109.32 2pka n ASP 61 Ca -0.08 -1.99 -0.13 0.00 -0.71 0.00 0.00 54.79 51.89 2pka n ASP 61 Cb 0.63 -0.40 -0.13 0.00 -1.35 0.00 0.00 41.12 39.86 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 -1.04 -0.09 -0.01 -1.12 3.84 -1.26 -5.13 114.94 110.13 2pka s ASN 62 Ca 0.41 0.18 -0.04 0.00 0.21 0.00 0.00 52.86 53.62 2pka s ASN 62 Cb 0.21 0.17 -0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2pka s ASN 62 CO 0.28 -0.05 0.08 -0.31 -2.79 0.00 0.00 177.10 174.31 2pka s TYR 63 N 0.22 0.05 0.00 0.43 1.51 -1.26 -4.13 117.35 114.18 2pka s TYR 63 Ca -0.01 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 2pka s TYR 63 Cb -0.02 -0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.75 2pka s TYR 63 CO -0.01 -0.18 -0.20 -1.21 -1.11 0.00 0.00 175.55 172.84 2pka s GLU 64 N -0.90 1.55 -0.12 -0.62 8.01 -0.55 -4.17 118.70 121.91 2pka s GLU 64 Ca -0.10 -0.79 0.02 0.00 0.01 0.00 0.00 54.97 54.11 2pka s GLU 64 Cb -0.06 -1.55 0.01 0.00 -4.31 0.00 0.00 34.13 28.22 2pka s GLU 64 CO 0.00 0.42 -0.18 0.08 0.01 0.00 0.00 175.26 175.60 2pka s VAL 65 N -0.58 1.68 -0.10 2.63 1.01 0.53 -0.81 120.40 124.77 2pka s VAL 65 Ca 0.08 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2pka s VAL 65 Cb -0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2pka s VAL 65 CO 0.00 0.48 -0.06 0.26 0.00 0.00 0.00 175.10 175.78 2pka s TRP 66 N 0.91 2.96 0.23 5.22 0.52 0.12 0.11 118.94 129.01 2pka s TRP 66 Ca -0.07 -0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.04 2pka s TRP 66 Cb -0.15 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 2pka s TRP 66 CO -0.01 0.20 -0.05 -0.51 0.02 0.00 0.00 176.95 176.60 2pka s LEU 67 N -0.42 3.09 -1.03 2.99 1.02 0.40 -1.40 118.68 123.33 2pka s LEU 67 Ca 0.06 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.58 2pka s LEU 67 Cb -0.12 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.42 2pka s LEU 67 CO 0.02 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.05 2pka n GLY 69 N -0.51 1.10 3.92 -3.19 0.00 -1.26 -0.82 105.19 104.43 2pka n GLY 69 Ca -0.08 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.86 3.45 0.03 1.61 0.52 -1.26 -3.48 118.95 116.96 2pka s ARG 70 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2pka s ARG 70 Cb 0.00 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2pka s ARG 70 CO 0.00 0.59 0.00 1.58 0.02 0.00 0.00 175.30 177.49 2pka n HIS 71 N 0.17 -0.21 -3.73 -0.53 -0.00 -1.26 -5.00 115.22 104.66 2pka n HIS 71 Ca -0.05 0.04 -0.38 0.00 -0.00 0.00 0.00 57.72 57.33 2pka n HIS 71 Cb 0.51 0.31 -0.11 0.00 -0.00 0.00 0.00 29.99 30.70 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 -5.05 5.36 0.41 0.26 2.47 -1.26 -4.98 114.94 112.14 2pka s ASN 72 Ca 0.00 -1.59 0.13 0.00 0.42 0.00 0.00 52.86 51.82 2pka s ASN 72 Cb 0.00 -1.88 0.96 0.00 -1.45 0.00 0.00 41.25 38.88 2pka s ASN 72 CO 0.00 -0.47 1.94 -0.07 -3.72 0.00 0.00 177.10 174.78 2pka h LEU 73 N 8.21 0.46 -2.87 3.21 3.38 -2.02 -2.68 115.31 123.00 2pka h LEU 73 Ca -0.20 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2pka h LEU 73 Cb 1.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2pka h LEU 73 CO 0.68 0.26 0.00 0.49 0.09 0.00 0.00 178.44 179.97 2pka n PHE 74 N -4.49 1.12 -4.43 1.13 3.72 -1.26 -4.88 117.46 108.37 2pka n PHE 74 Ca 0.12 -0.53 -0.32 0.00 -0.05 0.00 0.00 57.45 56.67 2pka n PHE 74 Cb 0.41 -0.07 -0.10 0.00 -0.94 0.00 0.00 39.48 38.78 2pka n PHE 74 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2pka s GLU 75 N -1.24 2.56 -0.99 -1.08 2.12 -1.01 -5.02 118.70 114.04 2pka s GLU 75 Ca 0.49 -0.72 -0.24 0.00 0.36 0.00 0.00 54.97 54.86 2pka s GLU 75 Cb 0.27 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 2pka s GLU 75 CO 0.31 0.60 1.85 1.21 -0.54 0.00 0.00 175.26 178.68 2pka s ASN 76 N -1.46 5.44 0.26 -1.70 3.04 -1.26 -4.88 114.94 114.38 2pka s ASN 76 Ca 0.17 -1.05 -0.30 0.00 0.04 0.00 0.00 52.86 51.73 2pka s ASN 76 Cb -0.11 -2.57 -0.09 0.00 -1.54 0.00 0.00 41.25 36.94 2pka s ASN 76 CO 0.08 -2.51 1.01 -1.61 -3.04 0.00 0.00 177.10 171.02 2pka s GLU 77 N 6.44 4.75 -0.00 0.43 2.02 -1.26 -4.98 118.70 126.11 2pka s GLU 77 Ca 0.65 1.61 0.06 0.00 0.02 0.00 0.00 54.97 57.31 2pka s GLU 77 Cb -0.04 -3.22 -0.24 0.00 0.10 0.00 0.00 34.13 30.73 2pka s GLU 77 CO 0.00 0.38 0.83 -0.97 0.02 0.00 0.00 175.26 175.52 2pka h ASN 78 N 3.96 0.13 0.72 -0.19 -0.00 -1.92 -3.33 115.58 114.95 2pka h ASN 78 Ca -0.46 -0.22 0.00 0.00 -0.00 0.00 0.00 56.30 55.63 2pka h ASN 78 Cb 1.20 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.48 2pka h ASN 78 CO 0.67 1.18 0.00 0.71 -0.00 0.00 0.00 177.43 180.00 2pka h THR 79 N 0.02 0.00 -3.75 -3.57 1.35 -1.94 -3.46 112.91 101.57 2pka h THR 79 Ca -0.22 -0.25 -0.52 0.00 -0.55 0.00 0.00 66.41 64.87 2pka h THR 79 Cb 1.96 1.00 0.04 0.00 -1.73 0.00 0.00 68.15 69.42 2pka h THR 79 CO 0.11 0.00 0.60 0.00 -0.25 0.00 0.00 175.52 175.98 2pka s ALA 80 N -3.38 3.48 -0.06 6.62 0.00 -1.23 -4.43 121.76 122.76 2pka s ALA 80 Ca 0.03 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.14 2pka s ALA 80 Cb 0.09 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2pka s ALA 80 CO 0.40 -0.48 -0.11 -0.65 0.00 0.00 0.00 175.76 174.92 2pka s GLN 81 N -1.31 1.54 -0.21 0.00 -0.21 0.00 -4.97 119.66 114.49 2pka s GLN 81 Ca 0.49 -0.35 -0.13 0.00 0.02 0.00 0.00 55.36 55.39 2pka s GLN 81 Cb -0.37 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 2pka s GLN 81 CO 0.46 -0.00 0.28 0.12 -2.12 0.00 0.00 175.29 174.03 2pka s PHE 82 N 0.74 3.36 0.15 0.91 5.99 -1.26 -0.45 117.98 127.42 2pka s PHE 82 Ca -0.13 0.45 0.07 0.00 0.00 0.00 0.00 56.93 57.31 2pka s PHE 82 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 43.02 40.44 2pka s PHE 82 CO 0.03 0.06 -0.15 -0.06 -0.00 0.00 0.00 175.22 175.10 2pka s PHE 83 N 1.08 1.54 0.29 10.12 0.40 0.12 -5.00 117.98 126.53 2pka s PHE 83 Ca 0.14 -0.56 0.09 0.00 -0.60 0.00 0.00 56.93 55.99 2pka s PHE 83 Cb -0.14 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 2pka s PHE 83 CO 0.06 0.22 0.03 0.20 0.70 0.00 0.00 175.22 176.43 2pka s GLY 84 N -2.77 1.76 -0.07 4.36 0.00 -1.26 -0.34 107.32 108.99 2pka s GLY 84 Ca 0.14 -1.72 0.05 0.00 0.00 0.00 0.00 44.72 43.19 2pka s GLY 84 CO 0.04 -1.75 -0.25 -1.34 0.00 0.00 0.00 173.10 169.81 2pka s VAL 85 N -2.37 2.06 -0.31 1.40 -7.23 -1.26 -4.92 120.40 107.77 2pka s VAL 85 Ca 0.33 -1.05 0.22 0.00 -1.81 0.00 0.00 61.98 59.67 2pka s VAL 85 Cb -0.05 -1.75 -0.18 0.00 0.56 0.00 0.00 36.38 34.95 2pka s VAL 85 CO 0.20 0.57 0.80 1.07 -0.31 0.00 0.00 175.10 177.44 2pka n THR 86 N 3.13 0.20 -3.49 5.32 5.66 -1.26 -4.95 114.28 118.88 2pka n THR 86 Ca -0.18 -0.40 -0.13 0.00 -3.05 0.00 0.00 64.05 60.29 2pka n THR 86 Cb 0.52 0.04 -0.04 0.00 -1.55 0.00 0.00 70.33 69.31 2pka n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pka s ALA 87 N -3.35 -1.75 0.01 1.79 0.00 -1.26 -5.17 121.76 112.04 2pka s ALA 87 Ca -0.02 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.00 2pka s ALA 87 Cb 0.13 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 2pka s ALA 87 CO 0.85 -0.56 -0.13 0.16 0.00 0.00 0.00 175.76 176.07 2pka s ASP 88 N -1.97 1.55 -0.62 0.00 -4.77 -1.26 -5.11 116.67 104.50 2pka s ASP 88 Ca -0.02 -0.33 0.04 0.00 -3.30 0.00 0.00 52.55 48.94 2pka s ASP 88 Cb -0.01 -0.14 0.16 0.00 -1.09 0.00 0.00 42.92 41.85 2pka s ASP 88 CO -0.03 0.10 0.42 -0.36 0.70 0.00 0.00 175.17 175.99 2pka s PHE 89 N -0.56 3.07 0.45 2.11 0.40 -1.26 -5.10 117.98 117.10 2pka s PHE 89 Ca 0.03 -3.12 -0.24 0.00 -0.60 0.00 0.00 56.93 53.00 2pka s PHE 89 Cb -0.06 -2.44 -0.07 0.00 0.51 0.00 0.00 43.02 40.96 2pka s PHE 89 CO 0.00 -0.63 1.30 -1.25 0.70 0.00 0.00 175.22 175.34 2pka s PRO 90 N -0.94 3.70 0.01 0.24 0.04 -1.26 -4.96 135.00 131.83 2pka s PRO 90 Ca 0.24 2.12 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 2pka s PRO 90 Cb -0.08 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 2pka s PRO 90 CO -0.13 -0.71 1.55 -1.58 0.04 0.00 0.00 177.00 176.17 2pka s HIS 91 N -1.32 2.50 0.55 0.56 2.46 -1.26 -4.85 115.29 113.93 2pka s HIS 91 Ca 0.62 0.50 0.35 0.00 0.47 0.00 0.00 55.06 57.00 2pka s HIS 91 Cb -0.37 -3.83 1.52 0.00 -0.13 0.00 0.00 32.58 29.77 2pka s HIS 91 CO 0.46 -3.27 1.81 -1.35 -2.47 0.00 0.00 174.74 169.92 2pka h PRO 92 N 8.39 0.00 0.00 2.88 0.11 -2.05 0.10 132.00 141.42 2pka h PRO 92 Ca -0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 2pka h PRO 92 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2pka h PRO 92 CO 0.93 0.00 -0.24 0.78 -0.21 0.00 0.00 178.00 179.26 2pka h GLY 93 N 0.00 0.00 -4.39 -0.55 0.00 -2.04 -3.46 103.07 92.63 2pka h GLY 93 Ca 0.52 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.32 2pka h GLY 93 CO -0.01 0.00 0.90 -0.12 0.00 0.00 0.00 176.54 177.31 2pka s PHE 94 N -3.30 2.85 0.00 5.60 2.19 0.35 -4.05 117.98 121.61 2pka s PHE 94 Ca 0.03 0.71 0.00 0.00 0.33 0.00 0.00 56.93 58.00 2pka s PHE 94 Cb 0.08 -4.04 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 2pka s PHE 94 CO 0.67 -3.60 0.00 -1.71 1.83 0.00 0.00 175.22 172.41 2pka n ASN 95 N 2.74 -0.85 -3.95 6.13 4.05 -1.26 -4.80 115.26 117.32 2pka n ASN 95 Ca 0.10 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.84 2pka n ASN 95 Cb 0.37 -0.43 -0.04 0.00 1.23 0.00 0.00 39.78 40.92 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 -0.42 -0.45 0.00 1.20 -0.00 -1.26 -5.26 117.00 110.81 2pka n LEU 95 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 56.01 55.02 2pka n LEU 95 Cb 0.21 -1.21 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 2pka n LEU 95 CO 0.00 0.48 0.00 -0.24 -0.00 0.00 0.00 177.39 177.63