#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 2.65 -1.31 1.61 -0.02 -1.26 -4.88 135.00 131.79 2k3g n PRO 29 Ca 0.00 0.97 -0.24 0.00 -2.02 0.00 0.00 63.50 62.21 2k3g n PRO 29 Cb 0.00 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 30.55 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 7.29 2.23 -2.48 -0.52 1.02 -1.26 -4.88 120.64 122.04 2k3g n GLU 30 Ca 0.21 -2.12 -0.40 0.00 -0.02 0.00 0.00 57.16 54.83 2k3g n GLU 30 Cb 0.37 -2.00 -0.01 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.30 6.48 -0.14 1.62 1.01 -1.26 -4.88 116.67 119.80 2k3g s ASP 31 Ca 0.52 -2.19 -0.02 0.00 0.71 0.00 0.00 52.55 51.56 2k3g s ASP 31 Cb 0.35 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.74 2k3g s ASP 31 CO -0.15 -1.55 0.03 -0.89 0.21 0.00 0.00 175.17 172.81 2k3g s THR 32 N 5.54 0.40 -0.09 -1.27 2.01 -1.26 -5.12 115.64 115.85 2k3g s THR 32 Ca 0.56 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 2k3g s THR 32 Cb 0.03 -0.77 0.05 0.00 0.01 0.00 0.00 72.50 71.81 2k3g s THR 32 CO 0.07 -0.01 0.14 -0.76 -0.69 0.00 0.00 174.62 173.36 2k3g s LEU 33 N 1.94 -0.00 0.52 4.42 1.43 -1.26 -5.14 118.68 120.58 2k3g s LEU 33 Ca 0.02 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 2k3g s LEU 33 Cb -0.15 0.15 -0.06 0.00 0.03 0.00 0.00 46.19 46.16 2k3g s LEU 33 CO -0.07 -0.26 1.38 -2.84 0.23 0.00 0.00 176.35 174.80 2k3g s PRO 34 N 2.26 3.29 -0.35 1.29 0.02 -1.26 -4.97 135.00 135.28 2k3g s PRO 34 Ca 0.04 2.30 0.14 0.00 0.02 0.00 0.00 61.00 63.50 2k3g s PRO 34 Cb -0.13 -2.38 0.43 0.00 0.02 0.00 0.00 34.50 32.45 2k3g s PRO 34 CO -0.06 -1.09 1.23 1.97 -0.33 0.00 0.00 177.00 178.72 2k3g n PHE 35 N -0.79 -0.92 -3.39 6.54 -1.74 -1.25 -5.01 117.46 110.90 2k3g n PHE 35 Ca 0.09 -2.20 0.02 0.00 -0.56 0.00 0.00 57.45 54.79 2k3g n PHE 35 Cb 0.44 0.79 -0.03 0.00 1.52 0.00 0.00 39.48 42.21 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 -3.33 -1.21 -0.18 5.98 2.96 -1.23 -4.94 118.68 116.72 2k3g s LEU 36 Ca 0.23 1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 55.21 2k3g s LEU 36 Cb 0.42 2.18 -0.05 0.00 0.50 0.00 0.00 46.19 49.24 2k3g s LEU 36 CO -0.05 -0.23 0.14 -0.75 -1.32 0.00 0.00 176.35 174.14 2k3g s LYS 37 N 2.86 4.01 -0.02 1.98 2.20 -1.26 -1.85 119.74 127.66 2k3g s LYS 37 Ca 0.07 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2k3g s LYS 37 Cb -0.13 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 2k3g s LYS 37 CO -0.20 0.42 -0.24 0.00 -0.36 0.00 0.00 175.35 174.97 2k3g s TYR 39 N -0.65 3.67 -0.07 0.00 5.04 -1.26 -1.57 117.35 122.50 2k3g s TYR 39 Ca 0.10 1.57 0.04 0.00 -2.44 0.00 0.00 57.07 56.34 2k3g s TYR 39 Cb -0.10 -2.76 -0.02 0.00 0.35 0.00 0.00 41.96 39.43 2k3g s TYR 39 CO -0.00 0.28 -0.17 0.00 -1.34 0.00 0.00 175.55 174.31 2k3g s SER 41 N -0.39 2.63 0.00 0.00 1.04 -1.24 -4.86 113.70 110.87 2k3g s SER 41 Ca 0.04 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2k3g s SER 41 Cb -0.12 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2k3g s SER 41 CO 0.02 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.10 2k3g n GLY 42 N 2.30 1.24 3.35 7.32 0.00 -1.26 -2.68 105.19 115.46 2k3g n GLY 42 Ca -0.16 -0.01 -0.34 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 2.93 -0.01 1.61 3.76 -1.26 -5.07 115.29 117.25 2k3g s HIS 43 Ca 0.00 -0.79 0.01 0.00 -0.15 0.00 0.00 55.06 54.12 2k3g s HIS 43 Cb 0.00 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.67 2k3g s HIS 43 CO 0.00 -0.41 -0.02 0.00 -0.85 0.00 0.00 174.74 173.47 2k3g s PRO 45 N 0.26 2.24 0.54 0.00 0.04 -1.26 -4.87 135.00 131.95 2k3g s PRO 45 Ca -0.02 1.90 0.21 0.00 0.04 0.00 0.00 61.00 63.13 2k3g s PRO 45 Cb -0.05 -1.83 1.45 0.00 0.04 0.00 0.00 34.50 34.11 2k3g s PRO 45 CO -0.01 -1.79 2.17 -0.44 0.04 0.00 0.00 177.00 176.97 2k3g h ASP 46 N -0.01 0.00 -0.41 6.66 3.32 -2.02 -1.29 116.42 122.68 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 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2k3g h ASP 46 CO 0.51 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 2k3g n ASP 47 N -4.26 3.02 -4.85 6.45 5.75 -1.26 -4.97 116.55 116.44 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.01 0.00 0.00 54.79 52.21 2k3g n ASP 47 Cb 0.10 -0.43 0.04 0.00 -1.03 0.00 0.00 41.12 39.80 2k3g n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3g s ALA 48 N -1.68 2.79 -0.04 2.12 0.00 -0.49 -5.07 121.76 119.40 2k3g s ALA 48 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2k3g s ALA 48 Cb 0.20 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 2k3g s ALA 48 CO 0.16 -1.12 -0.20 0.42 0.00 0.00 0.00 175.76 175.02 2k3g s ILE 49 N -3.19 1.60 -1.58 0.00 1.01 -1.11 -4.76 121.20 113.17 2k3g s ILE 49 Ca 0.58 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 2k3g s ILE 49 Cb -0.12 -1.36 0.14 0.00 0.01 0.00 0.00 42.46 41.13 2k3g s ILE 49 CO 0.54 0.45 0.35 -0.46 0.00 0.00 0.00 174.94 175.83 2k3g n ASN 50 N 2.97 -0.79 -3.75 3.58 0.23 -1.26 -0.34 115.26 115.90 2k3g n ASN 50 Ca -0.17 -1.12 -0.25 0.00 -0.53 0.00 0.00 54.58 52.51 2k3g n ASN 50 Cb 0.53 -1.42 0.04 0.00 -2.08 0.00 0.00 39.78 36.85 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k3g n ASN 51 N -2.25 -3.75 -4.09 0.53 5.03 -1.26 -5.00 115.26 104.48 2k3g n ASN 51 Ca -0.03 -0.73 -0.08 0.00 0.87 0.00 0.00 54.58 54.61 2k3g n ASN 51 Cb 0.47 -4.27 -0.10 0.00 -1.02 0.00 0.00 39.78 34.86 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2k3g s THR 52 N -3.42 0.17 0.13 3.41 -4.23 0.54 -2.59 115.64 109.65 2k3g s THR 52 Ca 0.39 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2k3g s THR 52 Cb -0.19 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2k3g s THR 52 CO 0.80 -0.79 0.05 0.00 -0.54 0.00 0.00 174.62 174.13 2k3g s ILE 54 N -4.02 3.42 0.03 0.00 1.01 -1.26 -1.51 121.20 118.88 2k3g s ILE 54 Ca 0.23 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 2k3g s ILE 54 Cb 0.07 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2k3g s ILE 54 CO 0.01 0.53 -0.01 0.28 0.00 0.00 0.00 174.94 175.75 2k3g s THR 55 N 0.06 0.14 -0.35 2.92 -1.32 -0.77 -5.00 115.64 111.32 2k3g s THR 55 Ca -0.03 -1.16 0.07 0.00 -1.21 0.00 0.00 61.69 59.36 2k3g s THR 55 Cb -0.14 -0.65 0.56 0.00 -1.51 0.00 0.00 72.50 70.76 2k3g s THR 55 CO 0.04 -0.64 1.62 -0.46 -2.21 0.00 0.00 174.62 172.97 2k3g n ASN 56 N 1.13 2.88 0.00 8.08 0.23 -1.26 -3.57 115.26 122.75 2k3g n ASN 56 Ca -0.21 -3.74 0.00 0.00 -0.53 0.00 0.00 54.58 50.10 2k3g n ASN 56 Cb 0.57 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3g n GLY 57 N -1.13 0.94 3.35 4.83 0.00 -1.23 -4.54 105.19 107.40 2k3g n GLY 57 Ca 0.42 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.60 0.92 -0.01 1.61 3.76 -1.18 -4.80 115.29 116.19 2k3g s HIS 58 Ca 0.00 -1.17 -0.15 0.00 -0.15 0.00 0.00 55.06 53.59 2k3g s HIS 58 Cb 0.00 -0.28 -0.06 0.00 1.11 0.00 0.00 32.58 33.35 2k3g s HIS 58 CO 0.00 -0.80 0.42 0.00 -0.85 0.00 0.00 174.74 173.51 2k3g s PHE 60 N -0.93 1.34 -0.10 0.00 -0.12 -1.10 -2.38 117.98 114.69 2k3g s PHE 60 Ca 0.24 -0.46 -0.15 0.00 -0.05 0.00 0.00 56.93 56.51 2k3g s PHE 60 Cb -0.17 -0.74 0.04 0.00 -0.63 0.00 0.00 43.02 41.51 2k3g s PHE 60 CO 0.13 0.09 0.39 0.00 -0.05 0.00 0.00 175.22 175.79 2k3g s ALA 61 N -1.32 -0.98 0.00 1.99 0.00 -1.04 -2.28 121.76 118.14 2k3g s ALA 61 Ca 0.00 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 2k3g s ALA 61 Cb -0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2k3g s ALA 61 CO 0.03 -0.23 0.09 -1.50 0.00 0.00 0.00 175.76 174.15 2k3g s ILE 62 N -0.39 0.09 0.02 0.00 2.07 -0.63 -1.58 121.20 120.78 2k3g s ILE 62 Ca -0.05 -0.70 0.03 0.00 -1.41 0.00 0.00 60.65 58.51 2k3g s ILE 62 Cb -0.03 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 2k3g s ILE 62 CO 0.02 -0.39 -0.09 -0.51 -1.91 0.00 0.00 174.94 172.07 2k3g s ILE 63 N -1.31 0.66 -0.06 2.00 2.07 -0.40 -2.64 121.20 121.52 2k3g s ILE 63 Ca -0.14 -0.76 -0.12 0.00 -1.41 0.00 0.00 60.65 58.22 2k3g s ILE 63 Cb -0.08 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 41.90 2k3g s ILE 63 CO 0.01 -0.10 0.29 -1.61 -1.91 0.00 0.00 174.94 171.62 2k3g s GLU 64 N -0.95 0.50 -0.31 3.50 2.02 -1.21 -1.90 118.70 120.35 2k3g s GLU 64 Ca -0.03 0.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.94 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 0.19 -2.00 0.02 0.00 0.00 175.26 173.37 2k3g s GLU 65 N -0.61 3.58 0.76 1.61 -6.30 -1.20 -1.86 118.70 114.69 2k3g s GLU 65 Ca -0.07 -0.57 -0.06 0.00 -2.50 0.00 0.00 54.97 51.77 2k3g s GLU 65 Cb -0.04 -3.67 0.12 0.00 0.00 0.00 0.00 34.13 30.54 2k3g s GLU 65 CO 0.02 -0.35 1.07 0.16 0.02 0.00 0.00 175.26 176.18 2k3g s ASP 66 N 1.70 4.22 0.52 -1.70 1.47 -1.00 -4.80 116.67 117.07 2k3g s ASP 66 Ca 0.06 0.02 0.35 0.00 1.18 0.00 0.00 52.55 54.16 2k3g s ASP 66 Cb -0.17 -0.42 1.90 0.00 -0.34 0.00 0.00 42.92 43.89 2k3g s ASP 66 CO 0.09 -1.96 2.08 -0.78 0.68 0.00 0.00 175.17 175.27 2k3g h ASP 67 N -0.78 0.00 0.37 2.11 3.58 -1.98 0.41 116.42 120.13 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2k3g h ASP 67 CO 0.46 0.00 -0.67 0.00 -2.88 0.00 0.00 179.24 176.15 2k3g n GLN 68 N -2.74 0.02 -0.54 0.28 6.02 -1.26 -4.97 117.38 114.20 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 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 1.49 0.68 3.89 1.08 0.00 0.14 -5.08 105.19 107.39 2k3g n GLY 69 Ca 0.05 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.09 3.58 -0.16 1.61 2.02 -1.26 -4.88 118.70 118.52 2k3g s GLU 70 Ca 0.00 -0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.74 2k3g s GLU 70 Cb 0.00 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2k3g s GLU 70 CO 0.00 0.62 0.35 0.95 0.02 0.00 0.00 175.26 177.20 2k3g s THR 71 N -1.36 5.26 -0.30 3.63 -4.23 -1.26 -2.38 115.64 114.99 2k3g s THR 71 Ca 0.30 0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 61.34 2k3g s THR 71 Cb -0.13 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2k3g s THR 71 CO 0.18 0.35 0.30 0.42 -0.54 0.00 0.00 174.62 175.33 2k3g s THR 72 N 0.66 5.23 -0.21 3.99 -4.23 -0.77 -4.90 115.64 115.40 2k3g s THR 72 Ca 0.19 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.79 2k3g s THR 72 Cb -0.14 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 2k3g s THR 72 CO 0.06 0.10 0.25 -0.76 -0.54 0.00 0.00 174.62 173.73 2k3g s LEU 73 N 1.93 4.17 -0.05 4.79 1.43 -1.26 -3.32 118.68 126.36 2k3g s LEU 73 Ca 0.11 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 2k3g s LEU 73 Cb -0.16 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.79 2k3g s LEU 73 CO 0.11 0.05 0.18 0.00 0.23 0.00 0.00 176.35 176.91 2k3g s ALA 74 N 0.91 -0.43 0.17 4.21 0.00 -1.08 -4.32 121.76 121.22 2k3g s ALA 74 Ca 0.13 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 2k3g s ALA 74 Cb -0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2k3g s ALA 74 CO 0.04 -0.13 0.20 -1.54 0.00 0.00 0.00 175.76 174.33 2k3g s SER 75 N -0.41 0.13 0.00 0.00 1.04 -1.09 -1.60 113.70 111.77 2k3g s SER 75 Ca -0.05 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2k3g s SER 75 Cb -0.03 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2k3g s SER 75 CO 0.01 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2k3g n GLY 76 N -0.21 -0.95 3.76 7.32 0.00 -0.96 -3.71 105.19 110.43 2k3g n GLY 76 Ca -0.04 -0.73 -0.37 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 0.11 4.02 0.94 0.00 1.75 -0.88 -4.96 119.30 120.29 2k3g s MET 78 Ca 0.17 -0.18 -0.12 0.00 -1.25 0.00 0.00 55.69 54.32 2k3g s MET 78 Cb -0.13 -3.62 0.16 0.00 2.84 0.00 0.00 34.83 34.08 2k3g s MET 78 CO 0.05 -0.13 1.09 -1.59 -0.65 0.00 0.00 175.02 173.79 2k3g s LYS 79 N 1.60 0.85 0.54 4.11 -2.85 -1.26 -3.12 119.74 119.62 2k3g s LYS 79 Ca 0.10 0.93 -0.20 0.00 -1.00 0.00 0.00 55.97 55.79 2k3g s LYS 79 Cb -0.15 -1.75 -0.05 0.00 -2.06 0.00 0.00 37.83 33.81 2k3g s LYS 79 CO 0.09 -2.55 1.21 -0.47 0.10 0.00 0.00 175.35 173.73 2k3g s TYR 80 N -2.81 2.54 0.00 1.78 5.04 -1.26 -4.67 117.35 117.97 2k3g s TYR 80 Ca 0.65 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 2k3g s TYR 80 Cb -0.20 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.64 2k3g s TYR 80 CO 0.58 -2.03 0.00 0.39 -1.34 0.00 0.00 175.55 173.15 2k3g n GLU 81 N -1.18 0.00 0.00 4.97 1.02 -1.26 -5.06 120.64 119.14 2k3g n GLU 81 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2k3g n GLU 81 Cb 0.49 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 1.53 2.16 3.69 0.62 0.00 -1.26 -5.12 105.19 106.81 2k3g n GLY 82 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 6.87 0.07 1.61 0.01 -1.26 -4.93 113.70 116.08 2k3g s SER 83 Ca 0.00 2.09 -0.15 0.00 1.31 0.00 0.00 55.95 59.21 2k3g s SER 83 Cb 0.00 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.49 2k3g s SER 83 CO 0.00 -0.70 1.25 -2.24 0.41 0.00 0.00 173.24 171.96 2k3g h ASP 84 N 7.73 0.83 0.00 2.44 2.03 -2.03 -3.41 116.42 124.02 2k3g h ASP 84 Ca -0.38 -0.66 -0.12 0.00 -0.73 0.00 0.00 57.03 55.14 2k3g h ASP 84 Cb 1.18 -0.25 -0.16 0.00 -0.83 0.00 0.00 39.33 39.27 2k3g h ASP 84 CO 0.90 1.36 -0.40 0.49 -1.03 0.00 0.00 179.24 180.55 2k3g n PHE 85 N -4.02 0.00 -2.55 4.15 3.72 -1.26 -5.05 117.46 112.44 2k3g n PHE 85 Ca -0.08 -0.43 -0.41 0.00 -0.05 0.00 0.00 57.45 56.47 2k3g n PHE 85 Cb 0.73 0.33 -0.02 0.00 -0.94 0.00 0.00 39.48 39.58 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 0.00 3.73 -0.54 -1.08 -0.21 -1.26 -4.76 119.66 115.54 2k3g s GLN 86 Ca 0.06 -1.50 0.02 0.00 0.02 0.00 0.00 55.36 53.96 2k3g s GLN 86 Cb 0.07 -5.43 0.56 0.00 1.00 0.00 0.00 33.01 29.21 2k3g s GLN 86 CO -0.03 -2.28 1.94 0.00 -2.12 0.00 0.00 175.29 172.80 2k3g n LYS 88 N -1.04 -0.22 -4.99 0.00 5.02 -1.26 -5.07 118.16 110.60 2k3g n LYS 88 Ca 0.60 -0.36 -0.32 0.00 -2.02 0.00 0.00 58.31 56.21 2k3g n LYS 88 Cb 1.19 -0.24 -0.15 0.00 -0.02 0.00 0.00 35.03 35.82 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 -1.84 3.70 0.93 4.39 -4.77 -1.26 -5.13 116.67 112.70 2k3g s ASP 89 Ca 0.13 -0.34 -0.15 0.00 -3.30 0.00 0.00 52.55 48.90 2k3g s ASP 89 Cb -0.00 -1.05 0.17 0.00 -1.09 0.00 0.00 42.92 40.95 2k3g s ASP 89 CO 0.09 0.26 1.25 -0.44 0.70 0.00 0.00 175.17 177.03 2k3g s SER 90 N -0.25 3.36 -0.61 2.11 0.01 -1.26 -4.94 113.70 112.13 2k3g s SER 90 Ca 0.00 0.52 -0.05 0.00 1.31 0.00 0.00 55.95 57.73 2k3g s SER 90 Cb -0.13 -0.76 0.01 0.00 0.21 0.00 0.00 66.02 65.35 2k3g s SER 90 CO 0.03 -2.60 2.86 -0.81 0.41 0.00 0.00 173.24 173.13 2k3g n PRO 91 N -3.73 2.83 -2.70 12.44 -0.04 -1.26 -4.14 135.00 138.40 2k3g n PRO 91 Ca 0.12 -2.32 -0.03 0.00 -0.04 0.00 0.00 63.50 61.22 2k3g n PRO 91 Cb 0.60 -2.25 0.11 0.00 -0.04 0.00 0.00 33.50 31.92 2k3g n PRO 91 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2k3g n LYS 92 N 1.46 1.37 -0.18 0.54 2.85 -1.26 -5.16 118.16 117.79 2k3g n LYS 92 Ca 0.52 -1.83 -0.04 0.00 -1.05 0.00 0.00 58.31 55.91 2k3g n LYS 92 Cb 0.54 -0.09 0.03 0.00 -0.65 0.00 0.00 35.03 34.86 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3g n ALA 93 N -1.09 -0.44 -3.16 0.58 0.00 -1.26 -5.08 120.51 110.06 2k3g n ALA 93 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2k3g n ALA 93 Cb 0.86 -0.02 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 -1.86 0.38 -0.83 0.00 7.27 -1.26 -5.15 117.38 115.93 2k3g n GLN 94 Ca 0.02 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.80 2k3g n GLN 94 Cb 0.08 0.00 0.20 0.00 2.41 0.00 0.00 30.24 32.93 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 1.67 0.24 1.69 2.96 -1.26 -4.87 118.68 119.11 2k3g s LEU 95 Ca 0.00 1.59 -0.30 0.00 -0.22 0.00 0.00 54.13 55.20 2k3g s LEU 95 Cb 0.00 -3.75 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 2k3g s LEU 95 CO 0.00 -3.46 1.34 -0.60 -1.32 0.00 0.00 176.35 172.31 2k3g s ARG 96 N -4.69 4.36 0.19 1.98 3.52 -1.26 -4.92 118.95 118.13 2k3g s ARG 96 Ca 0.66 2.14 -0.23 0.00 -0.13 0.00 0.00 55.73 58.17 2k3g s ARG 96 Cb -0.22 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2k3g s ARG 96 CO 0.60 -0.27 0.72 -0.98 -0.81 0.00 0.00 175.30 174.57 2k3g s ARG 97 N -0.51 1.44 0.08 5.12 1.70 -1.26 -3.26 118.95 122.26 2k3g s ARG 97 Ca 0.56 -0.70 0.07 0.00 -0.47 0.00 0.00 55.73 55.19 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 0.42 -0.65 -0.19 0.99 -1.08 0.00 0.00 175.30 174.80 2k3g s THR 98 N -3.70 1.51 0.04 4.99 2.01 -0.80 -5.01 115.64 114.69 2k3g s THR 98 Ca 0.07 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 60.62 2k3g s THR 98 Cb -0.03 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2k3g s THR 98 CO -0.02 -0.06 0.07 -0.51 -0.69 0.00 0.00 174.62 173.41 2k3g s ILE 99 N -1.12 0.15 0.01 1.82 2.07 -1.26 -1.28 121.20 121.58 2k3g s ILE 99 Ca 0.04 -1.22 -0.02 0.00 -1.41 0.00 0.00 60.65 58.04 2k3g s ILE 99 Cb -0.10 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 2k3g s ILE 99 CO 0.03 -0.67 0.03 -1.61 -1.91 0.00 0.00 174.94 170.81 2k3g s GLU 100 N -2.88 0.30 -0.05 3.50 0.41 -0.61 -5.02 118.70 114.35 2k3g s GLU 100 Ca -0.03 -0.41 -0.03 0.00 -0.41 0.00 0.00 54.97 54.09 2k3g s GLU 100 Cb 0.00 0.11 0.02 0.00 -1.78 0.00 0.00 34.13 32.49 2k3g s GLU 100 CO -0.06 -0.06 0.12 0.00 -0.49 0.00 0.00 175.26 174.77 2k3g n ARG 103 N 3.91 2.93 -4.07 0.00 0.63 -1.26 -1.64 116.66 117.15 2k3g n ARG 103 Ca -0.19 -3.74 -0.13 0.00 -0.92 0.00 0.00 57.85 52.87 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 -5.14 0.55 0.23 5.15 -4.23 -1.26 -5.03 115.64 105.91 2k3g s THR 104 Ca 0.52 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 59.54 2k3g s THR 104 Cb 0.44 -0.73 -0.11 0.00 1.34 0.00 0.00 72.50 73.44 2k3g s THR 104 CO -0.31 -0.44 1.62 0.54 -0.54 0.00 0.00 174.62 175.49 2k3g s ASN 105 N -1.75 6.45 -1.20 3.99 2.20 -1.26 -1.71 114.94 121.66 2k3g s ASN 105 Ca -0.08 2.82 0.00 0.00 -0.94 0.00 0.00 52.86 54.66 2k3g s ASN 105 Cb -0.08 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.56 2k3g s ASN 105 CO -0.00 -0.90 0.00 0.18 -2.94 0.00 0.00 177.10 173.44 2k3g n LEU 106 N 3.30 -1.11 0.30 3.54 4.77 -0.81 -4.82 117.00 122.17 2k3g n LEU 106 Ca 0.12 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.52 2k3g n LEU 106 Cb 0.37 -2.12 0.97 0.00 -2.33 0.00 0.00 43.42 40.31 2k3g n LEU 106 CO 0.63 -0.33 1.09 0.00 -1.33 0.00 0.00 177.39 177.45 2k3g n ASN 108 N -3.35 0.67 -0.24 0.00 4.13 -1.26 -4.01 115.26 111.20 2k3g n ASN 108 Ca -0.02 0.28 -0.01 0.00 1.68 0.00 0.00 54.58 56.51 2k3g n ASN 108 Cb 0.15 0.60 0.20 0.00 -1.54 0.00 0.00 39.78 39.19 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 1.05 -0.64 3.52 4.15 -1.73 -1.79 115.11 119.67 2k3g h GLN 109 Ca -0.10 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2k3g h GLN 109 Cb 1.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2k3g h GLN 109 CO 0.02 0.74 0.00 0.66 -1.93 0.00 0.00 178.83 178.32 2k3g n TYR 110 N -4.38 1.67 -3.98 3.99 4.01 -1.24 -4.90 117.16 112.33 2k3g n TYR 110 Ca 0.08 -0.65 -0.34 0.00 -0.16 0.00 0.00 57.90 56.84 2k3g n TYR 110 Cb 0.07 -0.32 -0.14 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 -2.11 3.51 -0.26 7.72 2.96 -0.68 -5.09 118.68 124.73 2k3g s LEU 111 Ca 0.53 -1.20 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 2k3g s LEU 111 Cb 0.36 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 2k3g s LEU 111 CO 0.22 -0.20 0.34 -1.58 -1.32 0.00 0.00 176.35 173.81 2k3g s GLN 112 N 1.22 4.02 0.16 1.98 2.00 -1.26 -4.91 119.66 122.87 2k3g s GLN 112 Ca -0.05 -0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 52.99 2k3g s GLN 112 Cb -0.19 -3.64 -0.08 0.00 0.80 0.00 0.00 33.01 29.90 2k3g s GLN 112 CO -0.04 -0.22 1.21 -1.25 -0.50 0.00 0.00 175.29 174.49 2k3g s PRO 113 N 1.91 4.47 0.02 1.67 0.04 -1.26 -5.04 135.00 136.80 2k3g s PRO 113 Ca 0.14 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2k3g s PRO 113 Cb -0.16 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2k3g s PRO 113 CO 0.10 -0.14 -0.03 0.95 0.04 0.00 0.00 177.00 177.91 2k3g s THR 114 N 0.21 0.17 0.25 1.26 -4.23 -1.26 -4.92 115.64 107.11 2k3g s THR 114 Ca 0.55 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 60.01 2k3g s THR 114 Cb -0.32 -0.27 -0.09 0.00 1.34 0.00 0.00 72.50 73.15 2k3g s THR 114 CO 0.35 -0.37 1.17 -0.76 -0.54 0.00 0.00 174.62 174.47 2k3g s LEU 115 N -1.17 4.49 0.41 4.79 1.43 -1.26 -4.90 118.68 122.47 2k3g s LEU 115 Ca -0.12 2.33 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 2k3g s LEU 115 Cb -0.08 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2k3g s LEU 115 CO -0.01 -0.29 1.03 -2.16 0.23 0.00 0.00 176.35 175.16 2k3g s PRO 116 N -1.05 4.15 0.14 1.29 0.04 -1.26 -5.01 135.00 133.30 2k3g s PRO 116 Ca 0.48 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 2k3g s PRO 116 Cb -0.34 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.65 2k3g s PRO 116 CO 0.41 -0.14 1.28 -1.25 0.04 0.00 0.00 177.00 177.34 2k3g s PRO 117 N -2.61 4.40 0.70 0.56 0.04 -1.26 -5.03 135.00 131.81 2k3g s PRO 117 Ca 0.59 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 2k3g s PRO 117 Cb -0.20 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2k3g s PRO 117 CO 0.25 -0.26 1.08 0.08 0.04 0.00 0.00 177.00 178.19 2k3g s VAL 118 N 0.56 3.33 -0.37 -0.36 1.01 -1.26 -5.02 120.40 118.30 2k3g s VAL 118 Ca 0.58 0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 2k3g s VAL 118 Cb -0.34 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2k3g s VAL 118 CO 0.34 -0.54 0.67 0.54 0.00 0.00 0.00 175.10 176.11 2k3g s VAL 119 N -3.34 4.85 -0.36 2.92 0.11 -1.26 -4.88 120.40 118.44 2k3g s VAL 119 Ca 0.58 0.61 0.12 0.00 -2.93 0.00 0.00 61.98 60.36 2k3g s VAL 119 Cb -0.11 -4.12 0.41 0.00 -1.53 0.00 0.00 36.38 31.04 2k3g s VAL 119 CO 0.51 -0.37 1.31 0.00 -3.33 0.00 0.00 175.10 173.22 2k3g n ILE 120 N 5.66 0.26 -2.60 7.04 3.06 -1.26 -5.01 119.36 126.50 2k3g n ILE 120 Ca -0.00 -1.76 -0.05 0.00 -2.50 0.00 0.00 62.75 58.44 2k3g n ILE 120 Cb 0.48 0.96 0.02 0.00 0.54 0.00 0.00 39.64 41.65 2k3g n ILE 120 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k3g n GLY 121 N -0.71 -0.71 3.67 4.50 0.00 -1.26 -4.96 105.19 105.72 2k3g n GLY 121 Ca -0.03 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.06 0.88 -3.59 1.61 -0.02 -1.26 -5.04 135.00 125.53 2k3g n PRO 122 Ca -0.02 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2k3g n PRO 122 Cb 0.54 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 2k3g n PRO 122 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2k3g s PHE 123 N -1.54 -0.28 -0.35 6.00 -0.71 -1.26 -5.09 117.98 114.75 2k3g s PHE 123 Ca 0.79 -0.01 0.13 0.00 -1.04 0.00 0.00 56.93 56.80 2k3g s PHE 123 Cb -0.38 0.34 0.42 0.00 -1.21 0.00 0.00 43.02 42.19 2k3g s PHE 123 CO 0.44 -0.75 1.35 1.19 -1.34 0.00 0.00 175.22 176.11 2k3g n PHE 124 N -0.27 -1.48 -2.85 3.49 3.72 -1.26 -5.10 117.46 113.71 2k3g n PHE 124 Ca -0.16 -1.99 -0.43 0.00 -0.05 0.00 0.00 57.45 54.83 2k3g n PHE 124 Cb 0.64 1.15 -0.04 0.00 -0.94 0.00 0.00 39.48 40.29 2k3g n PHE 124 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k3g s ASP 125 N -1.70 6.62 0.13 4.37 2.15 -1.26 -4.88 116.67 122.11 2k3g s ASP 125 Ca 0.19 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.62 2k3g s ASP 125 Cb 0.42 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 2k3g s ASP 125 CO -0.08 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 2k3g n GLY 126 N 4.50 -1.09 3.43 2.66 0.00 -1.26 -4.96 105.19 108.46 2k3g n GLY 126 Ca 0.06 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.00 -0.51 -0.04 1.61 0.15 -1.26 -5.15 113.70 104.50 2k3g s SER 127 Ca 0.00 0.76 -0.19 0.00 0.70 0.00 0.00 55.95 57.22 2k3g s SER 127 Cb 0.00 0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 65.02 2k3g s SER 127 CO 0.00 -0.38 0.54 -0.63 1.20 0.00 0.00 173.24 173.97 2k3g s ILE 128 N -0.53 5.01 0.00 6.45 1.01 -1.26 -5.29 121.20 126.58 2k3g s ILE 128 Ca -0.06 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.70 2k3g s ILE 128 Cb -0.03 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2k3g s ILE 128 CO 0.04 0.41 0.00 -1.14 0.00 0.00 0.00 174.94 174.25