#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3g n PRO 29 N 0.00 2.61 -1.32 1.61 -0.02 -1.26 -4.88 135.00 131.74 2k3g n PRO 29 Ca 0.00 0.95 -0.24 0.00 -2.02 0.00 0.00 63.50 62.19 2k3g n PRO 29 Cb 0.00 -2.84 -0.04 0.00 -0.02 0.00 0.00 33.50 30.61 2k3g n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3g n GLU 30 N 6.11 2.24 -2.43 -0.52 1.02 -1.26 -4.89 120.64 120.91 2k3g n GLU 30 Ca 0.19 -2.11 -0.38 0.00 -0.02 0.00 0.00 57.16 54.85 2k3g n GLU 30 Cb 0.35 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 2k3g n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k3g s ASP 31 N 0.35 6.25 -0.26 1.62 1.01 -1.26 -4.89 116.67 119.48 2k3g s ASP 31 Ca 0.52 -1.86 0.01 0.00 0.71 0.00 0.00 52.55 51.94 2k3g s ASP 31 Cb 0.35 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.77 2k3g s ASP 31 CO -0.16 -1.77 -0.04 -0.89 0.21 0.00 0.00 175.17 172.53 2k3g s THR 32 N 6.25 1.70 0.01 -1.27 2.01 -1.26 -5.11 115.64 117.97 2k3g s THR 32 Ca 0.56 -1.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 2k3g s THR 32 Cb 0.01 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 2k3g s THR 32 CO 0.03 -0.21 0.06 -0.76 -0.69 0.00 0.00 174.62 173.05 2k3g s LEU 33 N 1.29 1.86 0.43 4.42 1.43 -1.26 -5.14 118.68 121.71 2k3g s LEU 33 Ca -0.03 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 2k3g s LEU 33 Cb -0.19 0.39 -0.09 0.00 0.03 0.00 0.00 46.19 46.33 2k3g s LEU 33 CO -0.08 -0.31 1.42 -2.84 0.23 0.00 0.00 176.35 174.78 2k3g s PRO 34 N -1.27 3.81 -0.39 1.29 0.02 -1.26 -4.88 135.00 132.32 2k3g s PRO 34 Ca -0.14 2.42 0.10 0.00 0.02 0.00 0.00 61.00 63.40 2k3g s PRO 34 Cb -0.08 -2.74 0.40 0.00 0.02 0.00 0.00 34.50 32.10 2k3g s PRO 34 CO 0.00 -0.71 1.34 1.97 -0.33 0.00 0.00 177.00 179.27 2k3g n PHE 35 N -0.01 -2.20 -3.34 6.54 -1.74 -1.25 -5.01 117.46 110.45 2k3g n PHE 35 Ca 0.04 -1.97 0.02 0.00 -0.56 0.00 0.00 57.45 54.98 2k3g n PHE 35 Cb 0.41 1.47 -0.02 0.00 1.52 0.00 0.00 39.48 42.86 2k3g n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k3g s LEU 36 N -3.23 -1.19 -0.19 5.98 2.96 -1.23 -4.94 118.68 116.83 2k3g s LEU 36 Ca 0.22 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 2k3g s LEU 36 Cb 0.41 2.13 -0.05 0.00 0.50 0.00 0.00 46.19 49.18 2k3g s LEU 36 CO -0.08 -0.23 0.14 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.85 4.17 -0.05 1.98 2.20 -1.26 -1.91 119.74 127.72 2k3g s LYS 37 Ca 0.09 -0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2k3g s LYS 37 Cb -0.13 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2k3g s LYS 37 CO -0.19 0.31 -0.14 0.00 -0.36 0.00 0.00 175.35 174.97 2k3g s TYR 39 N -0.75 3.86 -0.06 0.00 5.04 -1.26 -1.85 117.35 122.32 2k3g s TYR 39 Ca 0.12 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.34 2k3g s TYR 39 Cb -0.11 -2.72 -0.02 0.00 0.35 0.00 0.00 41.96 39.46 2k3g s TYR 39 CO 0.01 0.49 -0.14 0.00 -1.34 0.00 0.00 175.55 174.57 2k3g s SER 41 N -0.53 2.60 0.00 0.00 0.01 -1.26 -4.86 113.70 109.67 2k3g s SER 41 Ca 0.07 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2k3g s SER 41 Cb -0.12 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2k3g s SER 41 CO 0.01 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2k3g n GLY 42 N 2.59 1.25 3.37 3.44 0.00 -1.26 -2.82 105.19 111.76 2k3g n GLY 42 Ca -0.16 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2k3g n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 43 N 0.00 2.97 -0.01 1.61 3.76 -1.26 -5.06 115.29 117.30 2k3g s HIS 43 Ca 0.00 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.21 2k3g s HIS 43 Cb 0.00 -2.07 0.01 0.00 1.11 0.00 0.00 32.58 31.63 2k3g s HIS 43 CO 0.00 -0.38 -0.01 0.00 -0.85 0.00 0.00 174.74 173.49 2k3g s PRO 45 N 0.34 2.17 0.54 0.00 0.04 -1.26 -4.86 135.00 131.97 2k3g s PRO 45 Ca -0.03 1.94 0.21 0.00 0.04 0.00 0.00 61.00 63.16 2k3g s PRO 45 Cb -0.06 -1.82 1.46 0.00 0.04 0.00 0.00 34.50 34.13 2k3g s PRO 45 CO -0.01 -1.85 2.18 -0.44 0.04 0.00 0.00 177.00 176.92 2k3g h ASP 46 N -0.05 0.00 -0.41 6.66 3.32 -2.02 -1.08 116.42 122.84 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2k3g h ASP 46 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2k3g h ASP 46 CO 0.50 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 2k3g n ASP 47 N -4.25 3.04 -4.86 6.45 5.68 -1.26 -4.97 116.55 116.38 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.50 0.00 0.00 54.79 51.71 2k3g n ASP 47 Cb 0.10 -0.43 0.04 0.00 -1.14 0.00 0.00 41.12 39.68 2k3g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k3g s ALA 48 N -1.68 2.90 -0.02 2.12 0.00 -0.41 -5.07 121.76 119.59 2k3g s ALA 48 Ca 0.31 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2k3g s ALA 48 Cb 0.20 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2k3g s ALA 48 CO 0.16 -1.01 -0.18 0.42 0.00 0.00 0.00 175.76 175.15 2k3g s ILE 49 N -3.22 1.44 -1.65 0.00 1.01 -1.11 -4.79 121.20 112.88 2k3g s ILE 49 Ca 0.57 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 2k3g s ILE 49 Cb -0.12 -1.20 0.15 0.00 0.01 0.00 0.00 42.46 41.31 2k3g s ILE 49 CO 0.53 0.41 0.37 -0.46 0.00 0.00 0.00 174.94 175.80 2k3g n ASN 50 N 2.66 -0.85 -3.77 3.58 6.94 -1.26 -0.42 115.26 122.13 2k3g n ASN 50 Ca -0.15 -1.17 -0.26 0.00 -0.02 0.00 0.00 54.58 52.97 2k3g n ASN 50 Cb 0.54 -1.48 0.04 0.00 -2.36 0.00 0.00 39.78 36.52 2k3g n ASN 50 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2k3g n ASN 51 N -2.37 -4.45 -3.99 0.53 2.85 -1.26 -5.00 115.26 101.57 2k3g n ASN 51 Ca -0.03 -0.72 -0.09 0.00 -0.11 0.00 0.00 54.58 53.64 2k3g n ASN 51 Cb 0.49 -4.27 -0.08 0.00 1.24 0.00 0.00 39.78 37.16 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2k3g s THR 52 N -3.37 0.13 0.13 -0.44 -4.23 0.44 -2.75 115.64 105.54 2k3g s THR 52 Ca 0.50 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2k3g s THR 52 Cb -0.24 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2k3g s THR 52 CO 0.80 -0.57 0.05 0.00 -0.54 0.00 0.00 174.62 174.36 2k3g s ILE 54 N -4.02 3.12 0.03 0.00 1.01 -1.26 -1.52 121.20 118.55 2k3g s ILE 54 Ca 0.23 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2k3g s ILE 54 Cb 0.07 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2k3g s ILE 54 CO 0.01 0.54 0.05 0.28 0.00 0.00 0.00 174.94 175.83 2k3g s THR 55 N 0.01 0.14 -0.35 2.92 -1.32 -0.80 -5.01 115.64 111.22 2k3g s THR 55 Ca -0.04 -1.12 0.07 0.00 -1.21 0.00 0.00 61.69 59.39 2k3g s THR 55 Cb -0.14 -0.80 0.56 0.00 -1.51 0.00 0.00 72.50 70.61 2k3g s THR 55 CO 0.04 -0.62 1.63 -0.46 -2.21 0.00 0.00 174.62 173.00 2k3g n ASN 56 N 0.91 3.00 0.00 8.08 6.94 -1.26 -3.52 115.26 129.41 2k3g n ASN 56 Ca -0.20 -3.74 0.00 0.00 -0.02 0.00 0.00 54.58 50.63 2k3g n ASN 56 Cb 0.58 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3g n GLY 57 N -1.13 1.02 3.33 4.83 0.00 -1.23 -4.51 105.19 107.49 2k3g n GLY 57 Ca 0.43 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2k3g n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 58 N 0.78 0.94 0.01 1.61 3.76 -1.14 -4.81 115.29 116.44 2k3g s HIS 58 Ca 0.00 -1.19 -0.17 0.00 -0.15 0.00 0.00 55.06 53.55 2k3g s HIS 58 Cb 0.00 -0.33 -0.06 0.00 1.11 0.00 0.00 32.58 33.31 2k3g s HIS 58 CO 0.00 -0.77 0.47 0.00 -0.85 0.00 0.00 174.74 173.58 2k3g s PHE 60 N -0.94 1.26 -0.13 0.00 -0.71 -1.08 -2.25 117.98 114.13 2k3g s PHE 60 Ca 0.26 -0.41 -0.15 0.00 -1.04 0.00 0.00 56.93 55.58 2k3g s PHE 60 Cb -0.17 -0.73 0.04 0.00 -1.21 0.00 0.00 43.02 40.95 2k3g s PHE 60 CO 0.15 0.06 0.41 0.00 -1.34 0.00 0.00 175.22 174.49 2k3g s ALA 61 N -1.09 -1.01 0.00 1.99 0.00 -1.01 -2.14 121.76 118.51 2k3g s ALA 61 Ca 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 2k3g s ALA 61 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2k3g s ALA 61 CO 0.02 -0.21 0.12 -1.50 0.00 0.00 0.00 175.76 174.19 2k3g s ILE 62 N -0.05 0.08 0.02 0.00 2.07 -0.71 -1.60 121.20 121.01 2k3g s ILE 62 Ca -0.02 -0.66 0.03 0.00 -1.41 0.00 0.00 60.65 58.58 2k3g s ILE 62 Cb -0.03 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 2k3g s ILE 62 CO 0.01 -0.36 -0.09 -0.51 -1.91 0.00 0.00 174.94 172.08 2k3g s ILE 63 N -1.29 0.66 -0.05 2.00 2.07 -0.39 -2.62 121.20 121.59 2k3g s ILE 63 Ca -0.14 -0.75 -0.11 0.00 -1.41 0.00 0.00 60.65 58.23 2k3g s ILE 63 Cb -0.07 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 41.90 2k3g s ILE 63 CO 0.01 -0.09 0.26 -1.61 -1.91 0.00 0.00 174.94 171.60 2k3g s GLU 64 N -0.93 0.50 -0.31 3.50 2.02 -1.20 -1.78 118.70 120.50 2k3g s GLU 64 Ca -0.02 -0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.84 2k3g s GLU 64 Cb -0.07 0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 2k3g s GLU 64 CO 0.00 -0.11 0.20 -2.00 0.02 0.00 0.00 175.26 173.36 2k3g s GLU 65 N -0.78 3.57 0.76 1.61 -6.30 -1.19 -1.83 118.70 114.54 2k3g s GLU 65 Ca -0.09 -0.58 -0.06 0.00 -2.50 0.00 0.00 54.97 51.75 2k3g s GLU 65 Cb -0.04 -3.68 0.12 0.00 0.00 0.00 0.00 34.13 30.53 2k3g s GLU 65 CO 0.02 -0.36 1.07 0.16 0.02 0.00 0.00 175.26 176.17 2k3g s ASP 66 N 1.70 4.23 0.50 -1.70 1.47 -1.01 -4.81 116.67 117.04 2k3g s ASP 66 Ca 0.06 0.03 0.34 0.00 1.18 0.00 0.00 52.55 54.16 2k3g s ASP 66 Cb -0.17 -0.43 1.81 0.00 -0.34 0.00 0.00 42.92 43.79 2k3g s ASP 66 CO 0.09 -1.96 2.03 -2.24 0.68 0.00 0.00 175.17 173.77 2k3g h ASP 67 N -0.78 0.00 0.40 2.11 2.03 -1.98 0.33 116.42 118.53 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2k3g h ASP 67 CO 0.46 0.00 -0.73 0.00 -1.03 0.00 0.00 179.24 177.94 2k3g n GLN 68 N -2.69 0.08 -0.48 4.15 6.02 -1.26 -4.97 117.38 118.24 2k3g n GLN 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k3g n GLN 68 Cb 0.06 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.79 2k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k3g n GLY 69 N 1.46 0.71 3.89 1.08 0.00 0.10 -5.08 105.19 107.36 2k3g n GLY 69 Ca 0.04 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2k3g n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3g s GLU 70 N -0.96 3.59 -0.16 1.61 2.02 -1.26 -4.88 118.70 118.64 2k3g s GLU 70 Ca 0.00 -0.08 -0.15 0.00 0.02 0.00 0.00 54.97 54.76 2k3g s GLU 70 Cb 0.00 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2k3g s GLU 70 CO 0.00 0.63 0.35 0.95 0.02 0.00 0.00 175.26 177.21 2k3g s THR 71 N -1.34 5.26 -0.29 3.63 -4.23 -1.26 -2.41 115.64 115.00 2k3g s THR 71 Ca 0.29 0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 2k3g s THR 71 Cb -0.13 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 2k3g s THR 71 CO 0.17 0.34 0.29 0.42 -0.54 0.00 0.00 174.62 175.30 2k3g s THR 72 N 0.72 5.24 -0.20 3.99 -4.23 -0.76 -4.89 115.64 115.50 2k3g s THR 72 Ca 0.19 0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 2k3g s THR 72 Cb -0.14 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2k3g s THR 72 CO 0.06 0.15 0.25 -0.76 -0.54 0.00 0.00 174.62 173.78 2k3g s LEU 73 N 1.91 4.17 -0.06 4.79 1.43 -1.26 -3.23 118.68 126.43 2k3g s LEU 73 Ca 0.11 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 2k3g s LEU 73 Cb -0.16 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.81 2k3g s LEU 73 CO 0.11 0.06 0.27 0.00 0.23 0.00 0.00 176.35 177.01 2k3g s ALA 74 N 0.87 -0.67 0.17 4.21 0.00 -1.08 -4.39 121.76 120.87 2k3g s ALA 74 Ca 0.13 0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 2k3g s ALA 74 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2k3g s ALA 74 CO 0.04 -0.19 0.19 -1.54 0.00 0.00 0.00 175.76 174.27 2k3g s SER 75 N -0.58 0.14 0.00 0.00 1.04 -1.13 -1.73 113.70 111.44 2k3g s SER 75 Ca -0.07 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2k3g s SER 75 Cb -0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2k3g s SER 75 CO 0.02 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2k3g n GLY 76 N -0.21 0.66 3.77 7.32 0.00 -0.91 -4.06 105.19 111.76 2k3g n GLY 76 Ca -0.04 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2k3g n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3g s MET 78 N 0.03 3.99 1.04 0.00 1.75 -0.83 -4.95 119.30 120.33 2k3g s MET 78 Ca 0.16 -0.31 -0.12 0.00 -1.25 0.00 0.00 55.69 54.17 2k3g s MET 78 Cb -0.13 -3.55 0.21 0.00 2.84 0.00 0.00 34.83 34.20 2k3g s MET 78 CO 0.04 -0.04 1.07 -1.59 -0.65 0.00 0.00 175.02 173.85 2k3g s LYS 79 N 1.34 0.09 0.53 4.11 -2.85 -1.26 -2.90 119.74 118.79 2k3g s LYS 79 Ca 0.07 0.76 -0.21 0.00 -1.00 0.00 0.00 55.97 55.59 2k3g s LYS 79 Cb -0.15 -1.68 -0.05 0.00 -2.06 0.00 0.00 37.83 33.89 2k3g s LYS 79 CO 0.07 -3.03 1.23 -0.47 0.10 0.00 0.00 175.35 173.25 2k3g s TYR 80 N -2.75 2.55 0.00 1.78 5.04 -1.26 -4.63 117.35 118.08 2k3g s TYR 80 Ca 0.66 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.77 2k3g s TYR 80 Cb -0.21 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.57 2k3g s TYR 80 CO 0.60 -2.13 0.00 0.39 -1.34 0.00 0.00 175.55 173.07 2k3g n GLU 81 N -1.00 0.00 0.00 4.97 1.02 -1.26 -5.04 120.64 119.32 2k3g n GLU 81 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2k3g n GLU 81 Cb 0.48 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2k3g n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3g n GLY 82 N 1.19 2.65 3.69 0.62 0.00 -1.26 -5.11 105.19 106.96 2k3g n GLY 82 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2k3g n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3g s SER 83 N 0.00 6.90 -0.01 1.61 1.04 -1.26 -4.93 113.70 117.05 2k3g s SER 83 Ca 0.00 2.05 -0.21 0.00 0.48 0.00 0.00 55.95 58.27 2k3g s SER 83 Cb 0.00 -2.56 -0.23 0.00 0.10 0.00 0.00 66.02 63.33 2k3g s SER 83 CO 0.00 -0.69 1.08 -0.78 0.98 0.00 0.00 173.24 173.83 2k3g h ASP 84 N 7.74 0.46 -0.00 7.02 1.82 -2.01 -3.42 116.42 128.03 2k3g h ASP 84 Ca -0.37 -0.76 -0.14 0.00 -0.39 0.00 0.00 57.03 55.36 2k3g h ASP 84 Cb 1.17 -0.14 -0.19 0.00 0.68 0.00 0.00 39.33 40.86 2k3g h ASP 84 CO 0.90 1.16 -0.45 0.33 -1.61 0.00 0.00 179.24 179.57 2k3g n PHE 85 N -4.28 -0.03 -2.53 0.28 7.35 -1.26 -4.93 117.46 112.05 2k3g n PHE 85 Ca -0.10 -0.53 -0.41 0.00 -0.76 0.00 0.00 57.45 55.65 2k3g n PHE 85 Cb 0.63 0.38 -0.01 0.00 0.35 0.00 0.00 39.48 40.83 2k3g n PHE 85 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2k3g s GLN 86 N -0.02 3.73 -0.34 -4.13 -0.21 -1.26 -4.73 119.66 112.71 2k3g s GLN 86 Ca 0.08 -1.62 0.07 0.00 0.02 0.00 0.00 55.36 53.90 2k3g s GLN 86 Cb 0.09 -5.45 0.51 0.00 1.00 0.00 0.00 33.01 29.16 2k3g s GLN 86 CO -0.04 -2.38 1.52 0.00 -2.12 0.00 0.00 175.29 172.27 2k3g s LYS 88 N -3.35 1.29 -0.16 0.00 1.02 -1.26 -5.04 119.74 112.24 2k3g s LYS 88 Ca 0.48 -0.46 -0.20 0.00 0.02 0.00 0.00 55.97 55.81 2k3g s LYS 88 Cb 0.42 -2.02 0.05 0.00 -0.52 0.00 0.00 37.83 35.77 2k3g s LYS 88 CO 0.01 -1.91 0.53 0.34 -0.92 0.00 0.00 175.35 173.40 2k3g s ASP 89 N -4.75 -0.53 0.72 2.83 2.15 -1.26 -5.17 116.67 110.66 2k3g s ASP 89 Ca 0.68 0.90 -0.11 0.00 0.43 0.00 0.00 52.55 54.45 2k3g s ASP 89 Cb -0.06 0.92 0.02 0.00 -0.30 0.00 0.00 42.92 43.49 2k3g s ASP 89 CO 0.49 -0.28 1.08 -0.44 -0.17 0.00 0.00 175.17 175.85 2k3g s SER 90 N -0.15 5.26 -0.97 -0.34 0.01 -1.26 -4.94 113.70 111.31 2k3g s SER 90 Ca -0.03 1.32 -0.07 0.00 1.31 0.00 0.00 55.95 58.48 2k3g s SER 90 Cb -0.03 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.99 2k3g s SER 90 CO 0.03 -1.48 2.95 -0.81 0.41 0.00 0.00 173.24 174.33 2k3g n PRO 91 N -3.12 3.32 -2.18 12.44 -0.04 -1.26 -3.79 135.00 140.36 2k3g n PRO 91 Ca 0.07 -2.25 -0.03 0.00 -0.04 0.00 0.00 63.50 61.25 2k3g n PRO 91 Cb 0.56 -2.46 0.06 0.00 -0.04 0.00 0.00 33.50 31.62 2k3g n PRO 91 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k3g n LYS 92 N 2.42 0.97 -0.17 0.54 4.81 -1.26 -5.16 118.16 120.31 2k3g n LYS 92 Ca 0.61 -1.53 0.00 0.00 -0.87 0.00 0.00 58.31 56.52 2k3g n LYS 92 Cb 0.45 0.13 0.00 0.00 0.02 0.00 0.00 35.03 35.63 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3g n ALA 93 N -0.88 0.00 -1.00 3.14 0.00 -1.25 -5.07 120.51 115.45 2k3g n ALA 93 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k3g n ALA 93 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 2k3g n ALA 93 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2k3g n GLN 94 N -0.99 -1.20 -0.83 0.00 7.27 -1.26 -4.98 117.38 115.39 2k3g n GLN 94 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 2k3g n GLN 94 Cb 0.00 0.00 0.18 0.00 2.41 0.00 0.00 30.24 32.83 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2k3g s LEU 95 N 0.00 1.99 0.26 1.69 2.96 -1.26 -4.84 118.68 119.49 2k3g s LEU 95 Ca 0.00 1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 55.34 2k3g s LEU 95 Cb 0.00 -3.98 -0.10 0.00 0.50 0.00 0.00 46.19 42.62 2k3g s LEU 95 CO 0.00 -3.29 1.32 -0.13 -1.32 0.00 0.00 176.35 172.93 2k3g s ARG 96 N -4.69 4.37 0.19 1.98 0.52 -1.26 -4.92 118.95 115.15 2k3g s ARG 96 Ca 0.66 2.14 -0.23 0.00 -0.52 0.00 0.00 55.73 57.78 2k3g s ARG 96 Cb -0.22 -3.13 0.05 0.00 0.52 0.00 0.00 34.95 32.17 2k3g s ARG 96 CO 0.60 -0.22 0.72 -0.98 0.02 0.00 0.00 175.30 175.43 2k3g s ARG 97 N -0.90 1.44 0.08 3.54 1.70 -1.26 -3.18 118.95 120.37 2k3g s ARG 97 Ca 0.53 -0.69 0.08 0.00 -0.47 0.00 0.00 55.73 55.18 2k3g s ARG 97 Cb -0.38 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2k3g s ARG 97 CO 0.45 -0.65 -0.21 0.99 -1.08 0.00 0.00 175.30 174.80 2k3g s THR 98 N -3.71 1.75 0.04 4.99 2.01 -0.73 -5.00 115.64 114.98 2k3g s THR 98 Ca 0.07 -1.42 -0.05 0.00 0.31 0.00 0.00 61.69 60.60 2k3g s THR 98 Cb -0.03 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 2k3g s THR 98 CO -0.03 0.06 0.08 -0.51 -0.69 0.00 0.00 174.62 173.53 2k3g s ILE 99 N -1.01 0.15 0.00 1.82 2.07 -1.26 -1.26 121.20 121.71 2k3g s ILE 99 Ca 0.07 -1.22 -0.07 0.00 -1.41 0.00 0.00 60.65 58.02 2k3g s ILE 99 Cb -0.10 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.48 2k3g s ILE 99 CO 0.03 -0.67 0.14 -1.61 -1.91 0.00 0.00 174.94 170.92 2k3g s GLU 100 N -2.90 0.49 -0.03 3.50 2.02 -0.63 -5.02 118.70 116.13 2k3g s GLU 100 Ca -0.02 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 2k3g s GLU 100 Cb 0.01 0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.44 2k3g s GLU 100 CO -0.06 -0.12 0.10 0.00 0.02 0.00 0.00 175.26 175.21 2k3g n ARG 103 N 4.38 2.89 -4.08 0.00 0.63 -1.26 -1.57 116.66 117.65 2k3g n ARG 103 Ca -0.20 -3.68 -0.13 0.00 -0.92 0.00 0.00 57.85 52.91 2k3g n ARG 103 Cb 0.57 -2.27 -0.11 0.00 0.45 0.00 0.00 32.46 31.10 2k3g n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2k3g s THR 104 N -5.11 0.60 0.22 5.15 -4.23 -1.26 -5.02 115.64 105.99 2k3g s THR 104 Ca 0.53 -1.16 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 2k3g s THR 104 Cb 0.44 -0.73 -0.11 0.00 1.34 0.00 0.00 72.50 73.45 2k3g s THR 104 CO -0.32 -0.40 1.60 0.54 -0.54 0.00 0.00 174.62 175.50 2k3g s ASN 105 N -1.70 6.49 -1.11 3.99 4.22 -1.26 -1.73 114.94 123.84 2k3g s ASN 105 Ca -0.08 2.77 0.00 0.00 -2.14 0.00 0.00 52.86 53.41 2k3g s ASN 105 Cb -0.09 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.83 2k3g s ASN 105 CO 0.00 -0.87 0.00 0.18 -2.04 0.00 0.00 177.10 174.38 2k3g n LEU 106 N 3.32 -1.10 0.29 3.54 4.77 -0.75 -4.82 117.00 122.25 2k3g n LEU 106 Ca 0.12 0.22 0.16 0.00 -0.03 0.00 0.00 56.01 56.48 2k3g n LEU 106 Cb 0.38 -2.10 0.91 0.00 -2.33 0.00 0.00 43.42 40.28 2k3g n LEU 106 CO 0.62 -0.24 1.08 0.00 -1.33 0.00 0.00 177.39 177.52 2k3g h ASN 108 N 0.00 0.00 -0.81 0.00 4.21 -1.88 -3.31 115.58 113.79 2k3g h ASN 108 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2k3g h ASN 108 Cb 0.17 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.33 2k3g h ASN 108 CO 0.01 0.75 0.40 -0.61 -1.29 0.00 0.00 177.43 176.69 2k3g h GLN 109 N 0.00 1.17 -0.64 0.81 4.15 -1.74 -1.51 115.11 117.35 2k3g h GLN 109 Ca -0.01 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2k3g h GLN 109 Cb 1.35 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2k3g h GLN 109 CO 0.10 0.89 0.00 0.66 -1.93 0.00 0.00 178.83 178.55 2k3g n TYR 110 N -4.31 1.66 -4.00 3.99 4.01 -1.26 -4.88 117.16 112.36 2k3g n TYR 110 Ca 0.08 -0.64 -0.33 0.00 -0.16 0.00 0.00 57.90 56.85 2k3g n TYR 110 Cb 0.13 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 38.70 2k3g n TYR 110 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2k3g s LEU 111 N -2.10 3.76 -0.27 7.72 2.96 -0.57 -5.09 118.68 125.09 2k3g s LEU 111 Ca 0.53 -1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 2k3g s LEU 111 Cb 0.36 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 2k3g s LEU 111 CO 0.23 -0.24 0.24 -1.58 -1.32 0.00 0.00 176.35 173.68 2k3g s GLN 112 N 1.14 3.99 0.17 1.98 2.00 -1.26 -4.90 119.66 122.78 2k3g s GLN 112 Ca -0.06 -0.20 -0.30 0.00 -2.00 0.00 0.00 55.36 52.80 2k3g s GLN 112 Cb -0.20 -3.64 -0.08 0.00 0.80 0.00 0.00 33.01 29.89 2k3g s GLN 112 CO -0.04 -0.17 1.26 -1.25 -0.50 0.00 0.00 175.29 174.60 2k3g s PRO 113 N 1.73 4.43 0.02 1.67 0.04 -1.26 -5.04 135.00 136.58 2k3g s PRO 113 Ca 0.10 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2k3g s PRO 113 Cb -0.16 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2k3g s PRO 113 CO 0.10 -0.21 -0.03 0.95 0.04 0.00 0.00 177.00 177.85 2k3g s THR 114 N 0.21 0.17 0.63 1.26 -4.23 -1.26 -4.89 115.64 107.53 2k3g s THR 114 Ca 0.56 -0.69 -0.15 0.00 -1.18 0.00 0.00 61.69 60.23 2k3g s THR 114 Cb -0.34 -0.26 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 2k3g s THR 114 CO 0.36 -0.33 1.08 -0.76 -0.54 0.00 0.00 174.62 174.43 2k3g s LEU 115 N -1.07 3.43 0.54 4.79 1.43 -1.26 -4.82 118.68 121.73 2k3g s LEU 115 Ca -0.10 1.89 -0.22 0.00 -1.03 0.00 0.00 54.13 54.67 2k3g s LEU 115 Cb -0.07 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.56 2k3g s LEU 115 CO -0.01 -1.39 1.32 -2.84 0.23 0.00 0.00 176.35 173.66 2k3g s PRO 116 N -4.13 3.19 0.39 1.29 0.02 -1.26 -4.94 135.00 129.56 2k3g s PRO 116 Ca 0.65 2.13 -0.26 0.00 0.02 0.00 0.00 61.00 63.54 2k3g s PRO 116 Cb -0.18 -2.24 -0.09 0.00 0.02 0.00 0.00 34.50 32.02 2k3g s PRO 116 CO 0.40 -1.12 1.23 -1.25 -0.33 0.00 0.00 177.00 175.93 2k3g s PRO 117 N -2.93 4.05 0.18 5.54 0.04 -1.26 -5.04 135.00 135.59 2k3g s PRO 117 Ca 0.71 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.63 2k3g s PRO 117 Cb -0.38 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2k3g s PRO 117 CO 0.44 -0.37 0.38 0.08 0.04 0.00 0.00 177.00 177.58 2k3g s VAL 118 N -1.32 0.05 0.13 -0.36 1.01 -1.26 -5.16 120.40 113.49 2k3g s VAL 118 Ca 0.56 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2k3g s VAL 118 Cb -0.34 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2k3g s VAL 118 CO 0.44 -0.21 0.55 0.54 0.00 0.00 0.00 175.10 176.43 2k3g s VAL 119 N -3.94 4.83 -0.31 2.92 0.11 -1.26 -5.05 120.40 117.70 2k3g s VAL 119 Ca 0.15 0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 59.91 2k3g s VAL 119 Cb 0.01 -3.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.09 2k3g s VAL 119 CO 0.00 0.29 0.59 -0.63 -3.33 0.00 0.00 175.10 172.03 2k3g s ILE 120 N -1.41 4.97 0.22 7.04 1.01 -1.26 -4.93 121.20 126.84 2k3g s ILE 120 Ca 0.36 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2k3g s ILE 120 Cb -0.16 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2k3g s ILE 120 CO 0.19 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2k3g n GLY 121 N 4.50 -1.76 3.59 6.18 0.00 -1.26 -4.84 105.19 111.60 2k3g n GLY 121 Ca -0.02 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 2k3g n GLY 121 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k3g n PRO 122 N -3.05 -0.72 -3.66 1.61 -0.02 -1.26 -5.06 135.00 122.84 2k3g n PRO 122 Ca 0.00 -0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.23 2k3g n PRO 122 Cb 0.40 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2k3g n PRO 122 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k3g s PHE 123 N -2.56 -0.20 0.25 6.00 5.36 -1.26 -5.16 117.98 120.41 2k3g s PHE 123 Ca 0.65 -0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 56.34 2k3g s PHE 123 Cb -0.23 0.35 0.01 0.00 -0.34 0.00 0.00 43.02 42.81 2k3g s PHE 123 CO 0.61 -0.81 0.58 0.12 -1.46 0.00 0.00 175.22 174.25 2k3g s PHE 124 N -3.83 0.05 0.00 10.12 5.36 -1.26 -5.08 117.98 123.34 2k3g s PHE 124 Ca 0.06 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2k3g s PHE 124 Cb 0.00 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 2k3g s PHE 124 CO -0.08 -1.07 0.00 -3.47 -1.46 0.00 0.00 175.22 169.14 2k3g n ASP 125 N -0.40 0.00 -0.16 6.13 -0.08 -1.26 -5.06 116.55 115.72 2k3g n ASP 125 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2k3g n ASP 125 Cb 0.61 0.23 0.00 0.00 2.34 0.00 0.00 41.12 44.30 2k3g n ASP 125 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k3g n GLY 126 N -0.79 1.07 3.01 0.27 0.00 -1.26 -5.07 105.19 102.42 2k3g n GLY 126 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 2k3g n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3g s SER 127 N -2.46 -0.46 0.03 1.61 0.15 -1.26 -5.15 113.70 106.16 2k3g s SER 127 Ca 0.00 -0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.45 2k3g s SER 127 Cb 0.00 1.51 -0.06 0.00 -1.71 0.00 0.00 66.02 65.76 2k3g s SER 127 CO 0.00 -0.32 0.50 -0.63 1.20 0.00 0.00 173.24 173.99 2k3g s ILE 128 N 2.67 4.88 -2.48 6.45 1.01 -1.26 -5.25 121.20 127.22 2k3g s ILE 128 Ca 0.11 1.06 0.28 0.00 0.00 0.00 0.00 60.65 62.10 2k3g s ILE 128 Cb -0.12 -3.82 0.56 0.00 0.01 0.00 0.00 42.46 39.09 2k3g s ILE 128 CO -0.27 0.54 1.76 -1.14 0.00 0.00 0.00 174.94 175.84