#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 2.41 -2.89 1.61 -0.02 -1.26 -4.91 135.00 129.94 2k3g n PRO 29 Ca 0.00 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 2k3g n PRO 29 Cb 0.00 -2.95 -0.01 0.00 -0.02 0.00 0.00 33.50 30.52 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 7.66 0.51 -1.95 -0.52 1.02 -1.26 -5.06 120.64 121.05 2k3g n GLU 30 Ca 0.24 -2.26 -0.42 0.00 -0.02 0.00 0.00 57.16 54.71 2k3g n GLU 30 Cb 0.38 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.29 2k3g n GLU 30 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2k3g n ASP 31 N 2.67 3.99 -3.67 1.62 5.75 -1.26 -4.84 116.55 120.81 2k3g n ASP 31 Ca 0.19 -2.84 -0.13 0.00 -0.01 0.00 0.00 54.79 52.01 2k3g n ASP 31 Cb 0.55 -1.63 -0.13 0.00 -1.03 0.00 0.00 41.12 38.89 2k3g n ASP 31 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2k3g s THR 32 N 4.31 -0.37 0.48 2.12 2.01 -1.26 -5.15 115.64 117.77 2k3g s THR 32 Ca 0.52 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.56 2k3g s THR 32 Cb 0.10 -0.47 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 2k3g s THR 32 CO 0.01 0.10 1.00 -0.76 -0.69 0.00 0.00 174.62 174.27 2k3g s LEU 33 N 2.23 3.82 0.04 4.42 1.43 -1.26 -4.86 118.68 124.50 2k3g s LEU 33 Ca -0.01 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 2k3g s LEU 33 Cb -0.12 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 2k3g s LEU 33 CO -0.09 -0.62 1.74 -2.84 0.23 0.00 0.00 176.35 174.77 2k3g s PRO 34 N -3.41 4.17 -0.41 1.29 0.02 -1.26 -4.59 135.00 130.81 2k3g s PRO 34 Ca 0.64 2.40 0.07 0.00 0.02 0.00 0.00 61.00 64.13 2k3g s PRO 34 Cb -0.12 -3.79 0.34 0.00 0.02 0.00 0.00 34.50 30.94 2k3g s PRO 34 CO 0.20 -0.82 1.25 1.97 -0.33 0.00 0.00 177.00 179.28 2k3g n PHE 35 N 6.33 -2.42 -3.45 6.54 -1.74 -1.25 -5.01 117.46 116.47 2k3g n PHE 35 Ca 0.17 -1.88 -0.02 0.00 -0.56 0.00 0.00 57.45 55.17 2k3g n PHE 35 Cb 0.41 1.58 -0.04 0.00 1.52 0.00 0.00 39.48 42.94 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 -2.70 -1.08 -0.19 5.98 2.96 -1.22 -4.99 118.68 117.44 2k3g s LEU 36 Ca 0.21 1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 55.10 2k3g s LEU 36 Cb 0.33 1.96 -0.05 0.00 0.50 0.00 0.00 46.19 48.93 2k3g s LEU 36 CO -0.08 -0.24 0.14 -0.75 -1.32 0.00 0.00 176.35 174.10 2k3g s LYS 37 N 2.80 4.12 -0.01 1.98 2.47 -1.26 -1.90 119.74 127.93 2k3g s LYS 37 Ca 0.06 -0.18 0.08 0.00 -1.56 0.00 0.00 55.97 54.36 2k3g s LYS 37 Cb -0.13 -3.40 -0.02 0.00 -1.46 0.00 0.00 37.83 32.82 2k3g s LYS 37 CO -0.18 0.35 -0.25 0.00 0.16 0.00 0.00 175.35 175.43 2k3g s TYR 39 N -0.61 3.68 -0.05 0.00 5.04 -1.26 -2.07 117.35 122.08 2k3g s TYR 39 Ca 0.10 1.54 0.06 0.00 -2.44 0.00 0.00 57.07 56.32 2k3g s TYR 39 Cb -0.09 -2.73 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 2k3g s TYR 39 CO -0.01 0.31 -0.23 0.00 -1.34 0.00 0.00 175.55 174.29 2k3g s SER 41 N -0.34 2.62 0.00 0.00 0.01 -1.17 -4.86 113.70 109.97 2k3g s SER 41 Ca 0.02 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2k3g s SER 41 Cb -0.12 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2k3g s SER 41 CO 0.02 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2k3g n GLY 42 N 2.36 1.54 3.24 3.44 0.00 -1.26 -2.79 105.19 111.71 2k3g n GLY 42 Ca -0.16 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 2.80 -0.01 1.61 3.76 -1.26 -5.11 115.29 117.08 2k3g s HIS 43 Ca 0.00 -1.16 0.01 0.00 -0.15 0.00 0.00 55.06 53.76 2k3g s HIS 43 Cb 0.00 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.78 2k3g s HIS 43 CO 0.00 -0.55 -0.02 0.00 -0.85 0.00 0.00 174.74 173.32 2k3g s PRO 45 N 0.29 2.37 0.58 0.00 0.04 -1.26 -4.86 135.00 132.17 2k3g s PRO 45 Ca -0.03 1.93 0.28 0.00 0.04 0.00 0.00 61.00 63.23 2k3g s PRO 45 Cb -0.05 -1.84 1.74 0.00 0.04 0.00 0.00 34.50 34.39 2k3g s PRO 45 CO -0.01 -1.70 2.21 -0.44 0.04 0.00 0.00 177.00 177.11 2k3g h ASP 46 N 0.19 0.00 -0.39 6.66 5.19 -2.03 -1.46 116.42 124.58 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2k3g h ASP 46 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2k3g h ASP 46 CO 0.52 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.74 2k3g n ASP 47 N -3.89 2.94 -4.89 6.45 5.68 -1.26 -4.95 116.55 116.63 2k3g n ASP 47 Ca -0.02 -2.23 -0.29 0.00 -0.50 0.00 0.00 54.79 51.75 2k3g n ASP 47 Cb 0.14 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 39.71 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 3.16 -0.02 2.12 0.00 -0.55 -5.08 121.76 119.71 2k3g s ALA 48 Ca 0.30 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2k3g s ALA 48 Cb 0.19 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 2k3g s ALA 48 CO 0.15 -0.71 -0.18 0.42 0.00 0.00 0.00 175.76 175.44 2k3g s ILE 49 N -3.08 1.46 -1.67 0.00 1.01 -1.13 -4.79 121.20 113.01 2k3g s ILE 49 Ca 0.54 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 2k3g s ILE 49 Cb -0.11 -1.22 0.17 0.00 0.01 0.00 0.00 42.46 41.31 2k3g s ILE 49 CO 0.50 0.41 0.43 -0.46 0.00 0.00 0.00 174.94 175.82 2k3g n ASN 50 N 2.69 -1.11 -3.79 3.58 6.94 -1.26 -0.27 115.26 122.05 2k3g n ASN 50 Ca -0.15 -1.16 -0.27 0.00 -0.02 0.00 0.00 54.58 52.98 2k3g n ASN 50 Cb 0.53 -1.47 0.04 0.00 -2.36 0.00 0.00 39.78 36.53 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k3g n ASN 51 N -2.30 -4.35 -4.05 0.53 3.02 -1.26 -5.00 115.26 101.84 2k3g n ASN 51 Ca 0.02 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.76 2k3g n ASN 51 Cb 0.47 -4.22 -0.10 0.00 -0.61 0.00 0.00 39.78 35.31 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2k3g s THR 52 N -3.38 0.19 0.16 3.41 -4.23 0.63 -3.19 115.64 109.24 2k3g s THR 52 Ca 0.50 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.39 2k3g s THR 52 Cb -0.24 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 2k3g s THR 52 CO 0.80 -0.86 0.24 0.00 -0.54 0.00 0.00 174.62 174.26 2k3g s ILE 54 N -4.00 1.67 0.06 0.00 1.01 -1.26 -1.64 121.20 117.04 2k3g s ILE 54 Ca 0.20 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.17 2k3g s ILE 54 Cb 0.04 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2k3g s ILE 54 CO 0.02 0.48 -0.08 0.28 0.00 0.00 0.00 174.94 175.64 2k3g s THR 55 N 1.42 0.60 -0.42 2.92 -1.32 -0.80 -5.01 115.64 113.03 2k3g s THR 55 Ca 0.04 -1.36 0.05 0.00 -1.21 0.00 0.00 61.69 59.21 2k3g s THR 55 Cb -0.13 -0.97 0.64 0.00 -1.51 0.00 0.00 72.50 70.53 2k3g s THR 55 CO -0.11 -0.54 1.83 -0.46 -2.21 0.00 0.00 174.62 173.14 2k3g n ASN 56 N 0.97 3.54 0.00 8.08 6.94 -1.26 -3.40 115.26 130.13 2k3g n ASN 56 Ca -0.19 -3.65 0.00 0.00 -0.02 0.00 0.00 54.58 50.72 2k3g n ASN 56 Cb 0.57 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 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 -1.14 1.54 3.26 4.83 0.00 -1.11 -3.69 105.19 108.87 2k3g n GLY 57 Ca 0.55 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 1.83 1.22 -0.09 1.61 3.76 -0.57 -4.90 115.29 118.16 2k3g s HIS 58 Ca 0.00 -1.38 -0.10 0.00 -0.15 0.00 0.00 55.06 53.43 2k3g s HIS 58 Cb 0.00 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 33.13 2k3g s HIS 58 CO 0.00 -0.73 0.23 0.00 -0.85 0.00 0.00 174.74 173.39 2k3g s PHE 60 N -0.94 0.84 -0.01 0.00 -0.71 -1.15 -2.11 117.98 113.90 2k3g s PHE 60 Ca 0.18 -0.73 -0.17 0.00 -1.04 0.00 0.00 56.93 55.17 2k3g s PHE 60 Cb -0.14 -0.49 0.03 0.00 -1.21 0.00 0.00 43.02 41.22 2k3g s PHE 60 CO 0.07 -0.11 0.36 0.00 -1.34 0.00 0.00 175.22 174.20 2k3g s ALA 61 N -2.66 -0.91 0.00 1.99 0.00 -0.86 -1.96 121.76 117.37 2k3g s ALA 61 Ca 0.03 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 2k3g s ALA 61 Cb -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2k3g s ALA 61 CO -0.02 -0.30 0.08 -1.50 0.00 0.00 0.00 175.76 174.02 2k3g s ILE 62 N -1.48 0.08 0.02 0.00 2.07 -0.58 -1.57 121.20 119.74 2k3g s ILE 62 Ca -0.12 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 2k3g s ILE 62 Cb -0.04 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 2k3g s ILE 62 CO 0.04 -0.39 -0.04 -0.51 -1.91 0.00 0.00 174.94 172.13 2k3g s ILE 63 N -1.29 0.27 -0.12 2.00 2.07 -0.47 -2.68 121.20 120.97 2k3g s ILE 63 Ca -0.14 -0.57 -0.13 0.00 -1.41 0.00 0.00 60.65 58.40 2k3g s ILE 63 Cb -0.08 -0.31 0.03 0.00 0.13 0.00 0.00 42.46 42.24 2k3g s ILE 63 CO 0.01 -0.20 0.36 -1.61 -1.91 0.00 0.00 174.94 171.59 2k3g s GLU 64 N -0.82 0.46 -0.32 3.50 2.02 -1.23 -2.07 118.70 120.25 2k3g s GLU 64 Ca -0.06 0.43 -0.11 0.00 0.02 0.00 0.00 54.97 55.25 2k3g s GLU 64 Cb -0.06 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 2k3g s GLU 64 CO -0.00 -0.07 0.19 -2.00 0.02 0.00 0.00 175.26 173.40 2k3g s GLU 65 N 0.01 3.53 0.78 1.61 -6.30 -1.22 -2.01 118.70 115.11 2k3g s GLU 65 Ca -0.02 -0.60 -0.07 0.00 -2.50 0.00 0.00 54.97 51.79 2k3g s GLU 65 Cb -0.03 -3.68 0.12 0.00 0.00 0.00 0.00 34.13 30.55 2k3g s GLU 65 CO 0.01 -0.37 1.08 0.16 0.02 0.00 0.00 175.26 176.16 2k3g s ASP 66 N 1.69 4.17 0.50 -1.70 1.47 -1.04 -4.82 116.67 116.94 2k3g s ASP 66 Ca 0.06 0.07 0.33 0.00 1.18 0.00 0.00 52.55 54.19 2k3g s ASP 66 Cb -0.17 -0.45 1.79 0.00 -0.34 0.00 0.00 42.92 43.75 2k3g s ASP 66 CO 0.09 -2.01 2.02 0.44 0.68 0.00 0.00 175.17 176.40 2k3g h ASP 67 N -0.84 0.00 0.40 2.11 3.32 -1.98 0.45 116.42 119.88 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k3g h ASP 67 CO 0.46 0.00 -0.68 0.00 -1.72 0.00 0.00 179.24 177.30 2k3g n GLN 68 N -2.69 0.05 -0.54 3.56 6.02 -1.26 -4.97 117.38 117.55 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 0.07 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.81 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 1.48 0.74 3.87 1.08 0.00 0.15 -5.08 105.19 107.43 2k3g n GLY 69 Ca 0.05 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.13 3.60 -0.15 1.61 2.02 -1.26 -4.89 118.70 118.49 2k3g s GLU 70 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 54.97 54.84 2k3g s GLU 70 Cb 0.00 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 2k3g s GLU 70 CO 0.00 0.71 0.35 0.95 0.02 0.00 0.00 175.26 177.29 2k3g s THR 71 N -1.16 5.27 -0.38 3.63 -4.23 -1.26 -2.49 115.64 115.03 2k3g s THR 71 Ca 0.22 0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 61.25 2k3g s THR 71 Cb -0.13 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2k3g s THR 71 CO 0.11 0.36 0.36 0.42 -0.54 0.00 0.00 174.62 175.33 2k3g s THR 72 N 0.59 5.17 -0.25 3.99 -4.23 -0.85 -4.92 115.64 115.14 2k3g s THR 72 Ca 0.19 -0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2k3g s THR 72 Cb -0.14 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 2k3g s THR 72 CO 0.06 -0.21 0.29 -0.76 -0.54 0.00 0.00 174.62 173.45 2k3g s LEU 73 N 1.96 4.08 0.04 4.79 2.01 -1.26 -3.48 118.68 126.82 2k3g s LEU 73 Ca 0.10 0.23 -0.07 0.00 0.01 0.00 0.00 54.13 54.40 2k3g s LEU 73 Cb -0.17 -2.30 -0.01 0.00 0.01 0.00 0.00 46.19 43.72 2k3g s LEU 73 CO 0.12 -0.07 0.14 0.00 1.01 0.00 0.00 176.35 177.54 2k3g s ALA 74 N 1.60 -0.16 0.11 4.21 0.00 -1.09 -4.55 121.76 121.88 2k3g s ALA 74 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2k3g s ALA 74 Cb -0.15 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2k3g s ALA 74 CO 0.08 -0.36 0.12 -1.54 0.00 0.00 0.00 175.76 174.07 2k3g s SER 75 N -2.23 0.24 0.31 0.00 1.04 -1.12 -1.52 113.70 110.41 2k3g s SER 75 Ca -0.03 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.34 2k3g s SER 75 Cb 0.00 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.48 2k3g s SER 75 CO -0.05 -0.74 0.60 0.61 0.98 0.00 0.00 173.24 174.63 2k3g n GLY 76 N -0.07 1.31 3.25 7.32 0.00 -0.83 -3.02 105.19 113.16 2k3g n GLY 76 Ca -0.10 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 1.39 4.06 1.13 0.00 0.00 -0.60 -5.00 119.30 120.28 2k3g s MET 78 Ca 0.01 0.04 -0.14 0.00 0.00 0.00 0.00 55.69 55.61 2k3g s MET 78 Cb -0.16 -3.61 0.26 0.00 0.00 0.00 0.00 34.83 31.31 2k3g s MET 78 CO -0.03 -0.18 1.06 -1.59 0.00 0.00 0.00 175.02 174.28 2k3g s LYS 79 N 1.76 -0.61 0.48 4.11 -2.85 -1.26 -1.51 119.74 119.85 2k3g s LYS 79 Ca 0.15 0.50 -0.23 0.00 -1.00 0.00 0.00 55.97 55.39 2k3g s LYS 79 Cb -0.15 -1.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.93 2k3g s LYS 79 CO 0.09 -3.43 1.26 -0.47 0.10 0.00 0.00 175.35 172.90 2k3g s TYR 80 N -2.73 2.65 0.00 1.78 5.04 -1.24 -4.33 117.35 118.51 2k3g s TYR 80 Ca 0.67 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.76 2k3g s TYR 80 Cb -0.20 -3.58 0.00 0.00 0.35 0.00 0.00 41.96 38.53 2k3g s TYR 80 CO 0.60 -2.12 0.00 0.39 -1.34 0.00 0.00 175.55 173.08 2k3g n GLU 81 N -0.58 0.00 0.00 4.97 1.02 -1.26 -4.98 120.64 119.81 2k3g n GLU 81 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2k3g n GLU 81 Cb 0.46 -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 1.02 2.95 3.62 0.62 0.00 -1.26 -5.10 105.19 107.04 2k3g n GLY 82 Ca 0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2k3g n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3g s SER 83 N 0.00 6.47 0.13 1.61 0.01 -1.26 -4.88 113.70 115.77 2k3g s SER 83 Ca 0.00 1.31 -0.02 0.00 1.31 0.00 0.00 55.95 58.55 2k3g s SER 83 Cb 0.00 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 2k3g s SER 83 CO 0.00 -1.23 1.29 0.44 0.41 0.00 0.00 173.24 174.15 2k3g h ASP 84 N 10.22 0.42 -0.97 2.44 3.32 -2.03 -3.41 116.42 126.41 2k3g h ASP 84 Ca -0.30 -0.36 -0.27 0.00 0.02 0.00 0.00 57.03 56.12 2k3g h ASP 84 Cb 1.12 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 40.34 2k3g h ASP 84 CO 1.03 1.19 -0.61 0.49 -1.72 0.00 0.00 179.24 179.61 2k3g n PHE 85 N -3.67 -2.98 -3.26 4.55 3.72 -1.26 -4.87 117.46 109.69 2k3g n PHE 85 Ca -0.06 -1.95 -0.05 0.00 -0.05 0.00 0.00 57.45 55.34 2k3g n PHE 85 Cb 0.87 1.18 -0.04 0.00 -0.94 0.00 0.00 39.48 40.55 2k3g n PHE 85 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2k3g s GLN 86 N 0.52 0.63 -0.38 -1.08 -0.21 -1.26 -5.02 119.66 112.86 2k3g s GLN 86 Ca 0.31 -0.15 0.09 0.00 0.02 0.00 0.00 55.36 55.63 2k3g s GLN 86 Cb 0.09 -0.16 0.44 0.00 1.00 0.00 0.00 33.01 34.38 2k3g s GLN 86 CO -0.14 -1.13 1.09 0.00 -2.12 0.00 0.00 175.29 173.00 2k3g n LYS 88 N -0.44 -0.72 -5.09 0.00 5.02 -1.26 -4.78 118.16 110.89 2k3g n LYS 88 Ca 0.32 -0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 55.48 2k3g n LYS 88 Cb 0.76 -0.57 -0.15 0.00 -0.02 0.00 0.00 35.03 35.04 2k3g n LYS 88 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k3g s ASP 89 N -2.94 3.23 0.40 4.39 1.47 -1.26 -5.08 116.67 116.87 2k3g s ASP 89 Ca 0.30 -0.48 -0.24 0.00 1.18 0.00 0.00 52.55 53.31 2k3g s ASP 89 Cb -0.01 -0.39 -0.09 0.00 -0.34 0.00 0.00 42.92 42.09 2k3g s ASP 89 CO 0.22 0.30 1.06 -0.44 0.68 0.00 0.00 175.17 176.98 2k3g s SER 90 N -0.90 6.76 -1.41 2.11 0.01 -1.26 -4.92 113.70 114.09 2k3g s SER 90 Ca 0.11 2.06 -0.11 0.00 1.31 0.00 0.00 55.95 59.32 2k3g s SER 90 Cb -0.10 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 2k3g s SER 90 CO 0.01 -0.49 2.58 -0.81 0.41 0.00 0.00 173.24 174.93 2k3g n PRO 91 N -0.02 3.08 -2.70 12.44 -0.04 -1.26 -4.14 135.00 142.36 2k3g n PRO 91 Ca 0.05 -2.15 -0.03 0.00 -0.04 0.00 0.00 63.50 61.32 2k3g n PRO 91 Cb 0.49 -2.87 0.11 0.00 -0.04 0.00 0.00 33.50 31.19 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 4.54 1.39 -3.65 0.54 4.81 -1.26 -5.12 118.16 119.41 2k3g n LYS 92 Ca 0.65 -1.84 -0.15 0.00 -0.87 0.00 0.00 58.31 56.10 2k3g n LYS 92 Cb 0.27 -0.11 -0.08 0.00 0.02 0.00 0.00 35.03 35.13 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3g s ALA 93 N -0.72 -1.38 -0.89 3.14 0.00 -1.26 -5.10 121.76 115.55 2k3g s ALA 93 Ca 0.16 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 2k3g s ALA 93 Cb 0.42 -0.42 0.25 0.00 0.00 0.00 0.00 23.12 23.37 2k3g s ALA 93 CO -0.10 -0.30 0.94 0.94 0.00 0.00 0.00 175.76 177.24 2k3g n GLN 94 N 1.86 3.04 -3.63 0.00 7.27 -1.26 -5.01 117.38 119.65 2k3g n GLN 94 Ca -0.17 -4.54 -0.16 0.00 0.07 0.00 0.00 57.00 52.21 2k3g n GLN 94 Cb 0.56 -2.41 -0.07 0.00 2.41 0.00 0.00 30.24 30.73 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 -1.91 0.05 -0.23 1.69 2.96 -1.26 -5.15 118.68 114.82 2k3g s LEU 95 Ca 0.31 0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 54.55 2k3g s LEU 95 Cb -0.00 1.94 -0.05 0.00 0.50 0.00 0.00 46.19 48.58 2k3g s LEU 95 CO -0.05 -0.52 0.22 -0.13 -1.32 0.00 0.00 176.35 174.54 2k3g s ARG 96 N -1.20 4.08 0.19 1.98 1.81 -1.26 -5.06 118.95 119.49 2k3g s ARG 96 Ca -0.12 -0.16 -0.23 0.00 -1.72 0.00 0.00 55.73 53.50 2k3g s ARG 96 Cb -0.02 -3.55 0.05 0.00 -0.45 0.00 0.00 34.95 30.98 2k3g s ARG 96 CO 0.07 0.02 0.72 -0.98 -0.68 0.00 0.00 175.30 174.45 2k3g s ARG 97 N 1.17 1.42 0.05 3.54 1.70 -1.26 -3.42 118.95 122.15 2k3g s ARG 97 Ca 0.10 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.72 2k3g s ARG 97 Cb -0.14 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 2k3g s ARG 97 CO 0.06 -0.64 -0.10 0.99 -1.08 0.00 0.00 175.30 174.53 2k3g s THR 98 N -3.69 0.75 0.04 4.99 2.01 -0.88 -4.87 115.64 113.99 2k3g s THR 98 Ca 0.07 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 60.92 2k3g s THR 98 Cb -0.03 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 2k3g s THR 98 CO -0.03 -0.29 0.03 -0.51 -0.69 0.00 0.00 174.62 173.13 2k3g s ILE 99 N -1.27 0.16 0.02 1.82 2.07 -1.26 -1.37 121.20 121.37 2k3g s ILE 99 Ca -0.06 -1.33 -0.06 0.00 -1.41 0.00 0.00 60.65 57.79 2k3g s ILE 99 Cb -0.10 -1.02 -0.00 0.00 0.13 0.00 0.00 42.46 41.47 2k3g s ILE 99 CO 0.01 -0.73 0.10 -1.61 -1.91 0.00 0.00 174.94 170.80 2k3g s GLU 100 N -2.93 0.50 0.01 3.50 0.41 -0.61 -5.00 118.70 114.57 2k3g s GLU 100 Ca -0.02 -0.53 -0.04 0.00 -0.41 0.00 0.00 54.97 53.96 2k3g s GLU 100 Cb 0.01 0.20 -0.01 0.00 -1.78 0.00 0.00 34.13 32.55 2k3g s GLU 100 CO -0.06 -0.12 0.07 0.00 -0.49 0.00 0.00 175.26 174.66 2k3g n ARG 103 N 2.51 3.11 -3.79 0.00 1.74 -1.26 -2.32 116.66 116.66 2k3g n ARG 103 Ca -0.15 -4.03 -0.12 0.00 -0.77 0.00 0.00 57.85 52.79 2k3g n ARG 103 Cb 0.56 -2.26 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 2k3g n ARG 103 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2k3g s THR 104 N -5.29 0.08 0.23 0.55 -4.23 -1.26 -5.06 115.64 100.66 2k3g s THR 104 Ca 0.50 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 60.07 2k3g s THR 104 Cb 0.42 -0.74 -0.11 0.00 1.34 0.00 0.00 72.50 73.40 2k3g s THR 104 CO -0.28 -0.35 1.65 0.54 -0.54 0.00 0.00 174.62 175.64 2k3g s ASN 105 N -1.68 6.41 -1.23 3.99 2.20 -1.26 -1.66 114.94 121.71 2k3g s ASN 105 Ca -0.10 2.86 0.00 0.00 -0.94 0.00 0.00 52.86 54.69 2k3g s ASN 105 Cb -0.03 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.60 2k3g s ASN 105 CO 0.00 -0.93 0.00 0.18 -2.94 0.00 0.00 177.10 173.42 2k3g n LEU 106 N 3.28 -1.12 0.31 3.54 4.77 -0.60 -4.82 117.00 122.35 2k3g n LEU 106 Ca 0.13 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.52 2k3g n LEU 106 Cb 0.36 -2.13 0.98 0.00 -2.33 0.00 0.00 43.42 40.30 2k3g n LEU 106 CO 0.63 -0.36 1.10 0.00 -1.33 0.00 0.00 177.39 177.44 2k3g n ASN 108 N -3.34 0.86 -0.30 0.00 4.13 -1.26 -4.01 115.26 111.33 2k3g n ASN 108 Ca -0.02 0.35 -0.01 0.00 1.68 0.00 0.00 54.58 56.58 2k3g n ASN 108 Cb 0.15 0.30 0.16 0.00 -1.54 0.00 0.00 39.78 38.85 2k3g n ASN 108 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2k3g h GLN 109 N 0.00 1.17 -0.60 3.52 4.15 -1.77 -1.87 115.11 119.71 2k3g h GLN 109 Ca -0.08 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2k3g h GLN 109 Cb 1.29 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2k3g h GLN 109 CO 0.02 0.80 0.00 0.66 -1.93 0.00 0.00 178.83 178.38 2k3g n TYR 110 N -4.38 1.58 -3.81 3.99 4.01 -1.26 -4.92 117.16 112.37 2k3g n TYR 110 Ca 0.10 -0.66 -0.37 0.00 -0.16 0.00 0.00 57.90 56.82 2k3g n TYR 110 Cb 0.04 -0.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.63 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 -2.12 3.81 -0.26 7.72 2.96 -0.70 -5.08 118.68 125.01 2k3g s LEU 111 Ca 0.51 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 53.41 2k3g s LEU 111 Cb 0.35 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2k3g s LEU 111 CO 0.21 -0.21 0.32 -1.58 -1.32 0.00 0.00 176.35 173.77 2k3g s GLN 112 N 1.42 4.02 0.20 1.98 0.74 -1.26 -4.95 119.66 121.81 2k3g s GLN 112 Ca 0.01 -0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 2k3g s GLN 112 Cb -0.18 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.20 2k3g s GLN 112 CO 0.01 -0.21 1.36 -1.25 -0.55 0.00 0.00 175.29 174.64 2k3g s PRO 113 N 1.87 4.35 -0.23 1.67 0.04 -1.26 -5.01 135.00 136.43 2k3g s PRO 113 Ca 0.13 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 113 Cb -0.16 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 2k3g s PRO 113 CO 0.10 -0.33 0.21 0.95 0.04 0.00 0.00 177.00 177.97 2k3g s THR 114 N 0.23 5.33 0.62 1.26 -4.23 -1.26 -4.99 115.64 112.60 2k3g s THR 114 Ca 0.59 0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 61.23 2k3g s THR 114 Cb -0.38 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 2k3g s THR 114 CO 0.38 0.33 1.07 -0.76 -0.54 0.00 0.00 174.62 175.11 2k3g s LEU 115 N 1.07 3.44 0.78 4.79 1.43 -1.26 -4.81 118.68 124.12 2k3g s LEU 115 Ca 0.10 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.95 2k3g s LEU 115 Cb -0.14 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.61 2k3g s LEU 115 CO 0.05 -1.34 1.11 -2.16 0.23 0.00 0.00 176.35 174.24 2k3g s PRO 116 N -4.14 2.15 0.55 1.29 0.04 -1.26 -4.98 135.00 128.66 2k3g s PRO 116 Ca 0.64 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 62.75 2k3g s PRO 116 Cb -0.17 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2k3g s PRO 116 CO 0.39 -1.74 1.27 -2.14 0.04 0.00 0.00 177.00 174.82 2k3g s PRO 117 N -4.72 3.19 0.73 0.56 0.02 -1.26 -5.01 135.00 128.51 2k3g s PRO 117 Ca 0.63 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 2k3g s PRO 117 Cb -0.19 -2.17 0.03 0.00 0.02 0.00 0.00 34.50 32.19 2k3g s PRO 117 CO 0.54 -1.08 1.11 0.08 -0.33 0.00 0.00 177.00 177.32 2k3g s VAL 118 N -1.45 3.25 -0.07 3.83 1.01 -1.26 -5.09 120.40 120.62 2k3g s VAL 118 Ca 0.72 0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.93 2k3g s VAL 118 Cb -0.35 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2k3g s VAL 118 CO 0.40 -0.53 0.42 0.54 0.00 0.00 0.00 175.10 175.92 2k3g s VAL 119 N -3.37 0.03 -0.17 2.92 0.11 -1.26 -5.17 120.40 113.49 2k3g s VAL 119 Ca 0.59 -0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 2k3g s VAL 119 Cb -0.11 -0.68 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 2k3g s VAL 119 CO 0.52 -0.13 0.41 -0.51 -3.33 0.00 0.00 175.10 172.06 2k3g s ILE 120 N -0.78 -0.02 0.00 7.04 1.10 -1.26 -5.14 121.20 122.14 2k3g s ILE 120 Ca -0.09 0.08 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2k3g s ILE 120 Cb -0.04 -0.61 0.00 0.00 0.15 0.00 0.00 42.46 41.96 2k3g s ILE 120 CO 0.04 0.03 0.00 0.61 -2.11 0.00 0.00 174.94 173.51 2k3g n GLY 121 N 4.10 2.12 3.73 1.50 0.00 -1.26 -5.03 105.19 110.36 2k3g n GLY 121 Ca -0.22 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 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 0.34 2.14 -3.01 1.61 -0.02 -1.26 -4.96 135.00 129.85 2k3g n PRO 122 Ca 0.00 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 2k3g n PRO 122 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 30.93 2k3g n PRO 122 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2k3g s PHE 123 N -1.18 3.59 -0.37 6.00 0.08 -1.26 -4.94 117.98 119.90 2k3g s PHE 123 Ca 0.60 1.31 0.12 0.00 0.12 0.00 0.00 56.93 59.08 2k3g s PHE 123 Cb -0.48 -2.84 0.41 0.00 -0.57 0.00 0.00 43.02 39.54 2k3g s PHE 123 CO 0.59 0.09 1.31 1.19 -0.10 0.00 0.00 175.22 178.30 2k3g n PHE 124 N 3.74 -1.63 -3.93 0.36 3.72 -1.26 -5.14 117.46 113.32 2k3g n PHE 124 Ca -0.01 -2.04 -0.09 0.00 -0.05 0.00 0.00 57.45 55.26 2k3g n PHE 124 Cb 0.51 1.19 -0.03 0.00 -0.94 0.00 0.00 39.48 40.21 2k3g n PHE 124 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2k3g s ASP 125 N -1.63 0.03 0.00 4.37 1.47 -1.26 -4.95 116.67 114.70 2k3g s ASP 125 Ca 0.21 -0.97 0.00 0.00 1.18 0.00 0.00 52.55 52.97 2k3g s ASP 125 Cb 0.41 0.70 0.00 0.00 -0.34 0.00 0.00 42.92 43.69 2k3g s ASP 125 CO -0.07 -1.34 0.00 0.61 0.68 0.00 0.00 175.17 175.05 2k3g n GLY 126 N -0.46 2.99 3.86 2.12 0.00 -1.26 -5.05 105.19 107.39 2k3g n GLY 126 Ca -0.03 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2k3g n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3g s SER 127 N 0.38 6.38 0.00 1.61 1.04 -1.26 -5.05 113.70 116.80 2k3g s SER 127 Ca 0.00 1.47 -0.19 0.00 0.48 0.00 0.00 55.95 57.71 2k3g s SER 127 Cb 0.00 -2.48 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 2k3g s SER 127 CO 0.00 -0.76 0.53 -0.63 0.98 0.00 0.00 173.24 173.36 2k3g s ILE 128 N -2.97 4.92 -2.49 -1.02 1.01 -1.26 -5.22 121.20 114.17 2k3g s ILE 128 Ca 0.56 1.11 0.28 0.00 0.00 0.00 0.00 60.65 62.60 2k3g s ILE 128 Cb -0.11 -3.86 0.56 0.00 0.01 0.00 0.00 42.46 39.06 2k3g s ILE 128 CO 0.45 0.48 1.75 -1.14 0.00 0.00 0.00 174.94 176.49