#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 2.66 -1.32 1.61 -0.02 -1.26 -4.88 135.00 131.79 2k3g n PRO 29 Ca 0.00 0.98 -0.24 0.00 -2.02 0.00 0.00 63.50 62.21 2k3g n PRO 29 Cb 0.00 -2.89 -0.03 0.00 -0.02 0.00 0.00 33.50 30.56 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 7.07 2.24 -1.83 -0.52 1.02 -1.26 -4.85 120.64 122.51 2k3g n GLU 30 Ca 0.21 -2.14 -0.42 0.00 -0.02 0.00 0.00 57.16 54.79 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 -0.40 1.18 0.00 0.00 177.13 177.91 2k3g n ASP 31 N 0.71 3.86 -3.67 1.62 5.75 -1.26 -4.83 116.55 118.73 2k3g n ASP 31 Ca 0.44 -2.83 -0.15 0.00 -0.01 0.00 0.00 54.79 52.25 2k3g n ASP 31 Cb 0.57 -1.60 -0.14 0.00 -1.03 0.00 0.00 41.12 38.91 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 3.98 -0.33 0.48 2.12 2.01 -1.26 -5.15 115.64 117.48 2k3g s THR 32 Ca 0.51 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.61 2k3g s THR 32 Cb 0.12 -0.37 -0.09 0.00 0.01 0.00 0.00 72.50 72.16 2k3g s THR 32 CO -0.02 0.13 1.00 -0.76 -0.69 0.00 0.00 174.62 174.28 2k3g s LEU 33 N 2.28 3.83 0.04 4.42 1.43 -1.26 -4.87 118.68 124.54 2k3g s LEU 33 Ca 0.01 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 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 -0.07 -0.63 1.73 -2.84 0.23 0.00 0.00 176.35 174.77 2k3g s PRO 34 N -3.38 4.18 -0.41 1.29 0.02 -1.26 -4.62 135.00 130.81 2k3g s PRO 34 Ca 0.64 2.38 0.09 0.00 0.02 0.00 0.00 61.00 64.13 2k3g s PRO 34 Cb -0.13 -3.79 0.38 0.00 0.02 0.00 0.00 34.50 30.98 2k3g s PRO 34 CO 0.20 -0.81 1.26 1.97 -0.33 0.00 0.00 177.00 179.28 2k3g n PHE 35 N 6.33 -2.20 -3.41 6.54 -1.74 -1.25 -5.01 117.46 116.71 2k3g n PHE 35 Ca 0.17 -2.09 -0.00 0.00 -0.56 0.00 0.00 57.45 54.97 2k3g n PHE 35 Cb 0.41 1.40 -0.04 0.00 1.52 0.00 0.00 39.48 42.77 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 -2.96 -1.15 -0.18 5.98 2.96 -1.22 -4.95 118.68 117.16 2k3g s LEU 36 Ca 0.23 1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 2k3g s LEU 36 Cb 0.38 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 49.06 2k3g s LEU 36 CO -0.07 -0.25 0.14 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.82 4.06 -0.02 1.98 2.20 -1.26 -1.71 119.74 127.81 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 -0.14 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2k3g s LYS 37 CO -0.19 0.38 -0.23 0.00 -0.36 0.00 0.00 175.35 174.96 2k3g s TYR 39 N -0.66 3.59 -0.07 0.00 5.04 -1.26 -1.52 117.35 122.46 2k3g s TYR 39 Ca 0.11 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.33 2k3g s TYR 39 Cb -0.10 -2.76 -0.02 0.00 0.35 0.00 0.00 41.96 39.42 2k3g s TYR 39 CO -0.00 0.20 -0.16 0.00 -1.34 0.00 0.00 175.55 174.24 2k3g s SER 41 N -0.40 2.70 0.00 0.00 1.04 -1.23 -4.86 113.70 110.95 2k3g s SER 41 Ca 0.04 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2k3g s SER 41 Cb -0.12 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2k3g s SER 41 CO 0.02 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2k3g n GLY 42 N 1.93 1.27 3.30 7.32 0.00 -1.26 -2.59 105.19 115.15 2k3g n GLY 42 Ca -0.17 -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 2.70 -0.01 1.61 3.76 -1.26 -5.08 115.29 117.01 2k3g s HIS 43 Ca 0.00 -0.85 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 2k3g s HIS 43 Cb 0.00 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.91 2k3g s HIS 43 CO 0.00 -0.32 -0.02 0.00 -0.85 0.00 0.00 174.74 173.55 2k3g s PRO 45 N 0.28 2.31 0.54 0.00 0.04 -1.26 -4.87 135.00 132.04 2k3g s PRO 45 Ca -0.02 1.99 0.21 0.00 0.04 0.00 0.00 61.00 63.22 2k3g s PRO 45 Cb -0.05 -1.83 1.47 0.00 0.04 0.00 0.00 34.50 34.14 2k3g s PRO 45 CO -0.01 -1.76 2.19 -0.44 0.04 0.00 0.00 177.00 177.02 2k3g h ASP 46 N 0.17 0.00 -0.41 6.66 3.32 -2.02 -1.14 116.42 123.00 2k3g h ASP 46 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2k3g h ASP 46 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2k3g h ASP 46 CO 0.51 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 2k3g n ASP 47 N -4.27 3.05 -4.86 6.45 5.68 -1.26 -4.97 116.55 116.37 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 0.09 -0.44 0.03 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.69 2.92 -0.00 2.12 0.00 -0.43 -5.07 121.76 119.60 2k3g s ALA 48 Ca 0.32 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.19 2k3g s ALA 48 Cb 0.20 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2k3g s ALA 48 CO 0.16 -0.97 -0.18 0.42 0.00 0.00 0.00 175.76 175.18 2k3g s ILE 49 N -3.21 1.45 -1.73 0.00 1.01 -1.12 -4.78 121.20 112.82 2k3g s ILE 49 Ca 0.57 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 2k3g s ILE 49 Cb -0.12 -1.22 0.18 0.00 0.01 0.00 0.00 42.46 41.32 2k3g s ILE 49 CO 0.54 0.35 0.46 -0.46 0.00 0.00 0.00 174.94 175.83 2k3g n ASN 50 N 2.47 -1.24 -3.81 3.58 6.94 -1.26 -0.29 115.26 121.65 2k3g n ASN 50 Ca -0.15 -1.19 -0.28 0.00 -0.02 0.00 0.00 54.58 52.94 2k3g n ASN 50 Cb 0.54 -1.51 0.04 0.00 -2.36 0.00 0.00 39.78 36.49 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 -2.36 -4.63 -4.07 0.53 5.03 -1.26 -5.00 115.26 103.50 2k3g n ASN 51 Ca 0.03 -0.73 -0.08 0.00 0.87 0.00 0.00 54.58 54.67 2k3g n ASN 51 Cb 0.47 -4.17 -0.09 0.00 -1.02 0.00 0.00 39.78 34.96 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 -3.35 0.15 0.11 3.41 -4.23 0.60 -2.47 115.64 109.85 2k3g s THR 52 Ca 0.55 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 2k3g s THR 52 Cb -0.27 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 2k3g s THR 52 CO 0.81 -0.68 0.02 0.00 -0.54 0.00 0.00 174.62 174.23 2k3g s ILE 54 N -3.95 3.84 0.03 0.00 1.01 -1.26 -1.55 121.20 119.32 2k3g s ILE 54 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2k3g s ILE 54 Cb 0.07 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2k3g s ILE 54 CO -0.02 0.52 -0.04 0.28 0.00 0.00 0.00 174.94 175.68 2k3g s THR 55 N 0.12 0.23 -0.35 2.92 -1.32 -0.69 -5.00 115.64 111.54 2k3g s THR 55 Ca -0.01 -1.20 0.07 0.00 -1.21 0.00 0.00 61.69 59.34 2k3g s THR 55 Cb -0.14 -0.68 0.53 0.00 -1.51 0.00 0.00 72.50 70.71 2k3g s THR 55 CO 0.03 -0.62 1.58 -0.46 -2.21 0.00 0.00 174.62 172.94 2k3g n ASN 56 N 1.15 3.29 0.00 8.08 0.23 -1.26 -3.41 115.26 123.33 2k3g n ASN 56 Ca -0.21 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.08 2k3g n ASN 56 Cb 0.57 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 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 -1.09 0.87 3.42 4.83 0.00 -1.24 -4.46 105.19 107.53 2k3g n GLY 57 Ca 0.42 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 0.47 0.85 -0.03 1.61 3.76 -1.18 -4.89 115.29 115.88 2k3g s HIS 58 Ca 0.00 -1.11 -0.14 0.00 -0.15 0.00 0.00 55.06 53.66 2k3g s HIS 58 Cb 0.00 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 2k3g s HIS 58 CO 0.00 -0.89 0.37 0.00 -0.85 0.00 0.00 174.74 173.37 2k3g s PHE 60 N -0.95 1.47 -0.10 0.00 -0.12 -1.10 -2.32 117.98 114.85 2k3g s PHE 60 Ca 0.22 -0.38 -0.10 0.00 -0.05 0.00 0.00 56.93 56.63 2k3g s PHE 60 Cb -0.16 -0.86 0.03 0.00 -0.63 0.00 0.00 43.02 41.40 2k3g s PHE 60 CO 0.11 0.08 0.27 0.00 -0.05 0.00 0.00 175.22 175.63 2k3g s ALA 61 N -0.92 -0.68 0.01 1.99 0.00 -0.98 -2.27 121.76 118.92 2k3g s ALA 61 Ca 0.04 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.71 2k3g s ALA 61 Cb -0.09 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2k3g s ALA 61 CO 0.02 -0.13 0.08 -1.50 0.00 0.00 0.00 175.76 174.23 2k3g s ILE 62 N 0.12 0.09 0.02 0.00 2.07 -0.71 -1.44 121.20 121.34 2k3g s ILE 62 Ca -0.00 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.53 2k3g s ILE 62 Cb -0.02 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 2k3g s ILE 62 CO 0.00 -0.39 -0.04 -0.51 -1.91 0.00 0.00 174.94 172.09 2k3g s ILE 63 N -1.31 0.27 -0.05 2.00 2.07 -0.28 -2.39 121.20 121.51 2k3g s ILE 63 Ca -0.14 -0.58 -0.15 0.00 -1.41 0.00 0.00 60.65 58.37 2k3g s ILE 63 Cb -0.08 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.22 2k3g s ILE 63 CO 0.01 -0.20 0.34 -1.61 -1.91 0.00 0.00 174.94 171.57 2k3g s GLU 64 N -0.83 0.61 -0.31 3.50 2.02 -1.21 -1.59 118.70 120.89 2k3g s GLU 64 Ca -0.06 0.04 -0.11 0.00 0.02 0.00 0.00 54.97 54.86 2k3g s GLU 64 Cb -0.06 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.43 2k3g s GLU 64 CO -0.00 -0.15 0.19 -2.00 0.02 0.00 0.00 175.26 173.32 2k3g s GLU 65 N -0.85 3.57 0.77 1.61 -6.30 -1.13 -2.00 118.70 114.37 2k3g s GLU 65 Ca -0.09 -0.57 -0.06 0.00 -2.50 0.00 0.00 54.97 51.74 2k3g s GLU 65 Cb -0.04 -3.67 0.12 0.00 0.00 0.00 0.00 34.13 30.55 2k3g s GLU 65 CO 0.03 -0.35 1.07 0.16 0.02 0.00 0.00 175.26 176.19 2k3g s ASP 66 N 1.69 4.21 0.49 -1.70 1.47 -1.02 -4.76 116.67 117.05 2k3g s ASP 66 Ca 0.06 0.04 0.33 0.00 1.18 0.00 0.00 52.55 54.15 2k3g s ASP 66 Cb -0.17 -0.43 1.77 0.00 -0.34 0.00 0.00 42.92 43.75 2k3g s ASP 66 CO 0.09 -1.98 2.00 -2.24 0.68 0.00 0.00 175.17 173.73 2k3g h ASP 67 N -0.80 0.00 0.42 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 -0.74 0.00 -1.03 0.00 0.00 179.24 177.93 2k3g n GLN 68 N -2.66 0.10 -0.46 4.15 6.02 -1.26 -4.97 117.38 118.30 2k3g n GLN 68 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2k3g n GLN 68 Cb 0.06 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 1.45 0.72 3.88 1.08 0.00 0.11 -5.08 105.19 107.35 2k3g n GLY 69 Ca 0.04 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.93 3.59 -0.21 1.61 2.02 -1.26 -4.88 118.70 118.64 2k3g s GLU 70 Ca 0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 54.97 54.80 2k3g s GLU 70 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2k3g s GLU 70 CO 0.00 0.66 0.38 0.95 0.02 0.00 0.00 175.26 177.27 2k3g s THR 71 N -1.26 5.21 -0.38 3.63 -4.23 -1.26 -2.42 115.64 114.93 2k3g s THR 71 Ca 0.26 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.28 2k3g s THR 71 Cb -0.13 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2k3g s THR 71 CO 0.15 0.25 0.35 0.42 -0.54 0.00 0.00 174.62 175.26 2k3g s THR 72 N 1.33 5.18 -0.20 3.99 -4.23 -0.85 -4.90 115.64 115.97 2k3g s THR 72 Ca 0.18 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.35 2k3g s THR 72 Cb -0.15 -3.88 -0.05 0.00 1.34 0.00 0.00 72.50 69.76 2k3g s THR 72 CO 0.08 -0.21 0.21 -0.76 -0.54 0.00 0.00 174.62 173.40 2k3g s LEU 73 N 1.95 4.20 -0.03 4.79 1.02 -1.26 -3.33 118.68 126.01 2k3g s LEU 73 Ca 0.10 0.32 -0.08 0.00 0.02 0.00 0.00 54.13 54.48 2k3g s LEU 73 Cb -0.17 -2.22 0.01 0.00 0.02 0.00 0.00 46.19 43.83 2k3g s LEU 73 CO 0.12 0.11 0.19 0.00 0.02 0.00 0.00 176.35 176.78 2k3g s ALA 74 N 0.63 -0.47 0.15 4.21 0.00 -1.00 -4.28 121.76 121.00 2k3g s ALA 74 Ca 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 2k3g s ALA 74 Cb -0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2k3g s ALA 74 CO 0.02 -0.17 0.18 -1.54 0.00 0.00 0.00 175.76 174.24 2k3g s SER 75 N -0.77 0.17 0.00 0.00 1.04 -1.07 -1.73 113.70 111.33 2k3g s SER 75 Ca -0.09 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2k3g s SER 75 Cb -0.05 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2k3g s SER 75 CO 0.01 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2k3g n GLY 76 N -0.17 -0.87 3.76 7.32 0.00 -0.96 -3.48 105.19 110.79 2k3g n GLY 76 Ca -0.06 -0.72 -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 0.08 4.00 0.62 0.00 1.75 -0.94 -4.96 119.30 119.86 2k3g s MET 78 Ca 0.16 -0.26 -0.17 0.00 -1.25 0.00 0.00 55.69 54.16 2k3g s MET 78 Cb -0.13 -3.61 -0.02 0.00 2.84 0.00 0.00 34.83 33.91 2k3g s MET 78 CO 0.04 -0.10 1.15 -1.59 -0.65 0.00 0.00 175.02 173.87 2k3g s LYS 79 N 1.52 2.91 0.34 4.11 -2.85 -1.26 -3.11 119.74 121.41 2k3g s LYS 79 Ca 0.08 1.59 -0.28 0.00 -1.00 0.00 0.00 55.97 56.36 2k3g s LYS 79 Cb -0.15 -1.95 -0.10 0.00 -2.06 0.00 0.00 37.83 33.57 2k3g s LYS 79 CO 0.09 -1.20 1.28 -0.47 0.10 0.00 0.00 175.35 175.15 2k3g s TYR 80 N -1.97 3.05 0.43 1.78 6.14 -1.26 -4.78 117.35 120.74 2k3g s TYR 80 Ca 0.72 1.44 0.00 0.00 0.64 0.00 0.00 57.07 59.87 2k3g s TYR 80 Cb -0.25 -3.63 0.00 0.00 0.42 0.00 0.00 41.96 38.50 2k3g s TYR 80 CO 0.36 -1.76 0.00 0.39 0.64 0.00 0.00 175.55 175.17 2k3g n GLU 81 N 0.69 0.00 -3.02 4.97 1.02 -1.26 -5.04 120.64 117.99 2k3g n GLU 81 Ca 0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.97 2k3g n GLU 81 Cb 0.43 0.00 -0.02 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 -0.56 1.86 0.00 0.62 0.00 -1.26 -5.02 105.19 100.83 2k3g n GLY 82 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.09 2k3g n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3g n SER 83 N 1.39 0.00 -0.03 1.61 7.64 -1.26 -3.55 113.62 119.42 2k3g n SER 83 Ca 0.17 -0.58 -0.15 0.00 1.01 0.00 0.00 58.87 59.32 2k3g n SER 83 Cb 0.58 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 2k3g n SER 83 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k3g h ASP 84 N 0.00 0.21 0.00 6.43 5.19 -2.03 -3.42 116.42 122.79 2k3g h ASP 84 Ca 0.00 -0.72 -0.09 0.00 -0.62 0.00 0.00 57.03 55.60 2k3g h ASP 84 Cb 0.00 -0.06 -0.12 0.00 0.18 0.00 0.00 39.33 39.33 2k3g h ASP 84 CO 0.00 0.90 -0.32 2.22 -3.12 0.00 0.00 179.24 178.92 2k3g n PHE 85 N -4.55 0.00 -1.54 4.55 1.16 -1.24 -5.01 117.46 110.82 2k3g n PHE 85 Ca -0.09 -0.32 -0.39 0.00 -1.87 0.00 0.00 57.45 54.77 2k3g n PHE 85 Cb 0.46 0.31 -0.02 0.00 -1.61 0.00 0.00 39.48 38.61 2k3g n PHE 85 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 2k3g n GLN 86 N 0.06 3.95 -0.78 3.97 1.13 -1.23 -3.67 117.38 120.82 2k3g n GLN 86 Ca -0.14 -2.61 -0.02 0.00 -1.94 0.00 0.00 57.00 52.29 2k3g n GLN 86 Cb 0.70 -2.77 -0.02 0.00 0.11 0.00 0.00 30.24 28.26 2k3g n GLN 86 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k3g n LYS 88 N 0.05 0.22 -3.85 0.00 5.02 -1.24 -4.94 118.16 113.42 2k3g n LYS 88 Ca -0.09 -0.30 -0.36 0.00 -2.02 0.00 0.00 58.31 55.54 2k3g n LYS 88 Cb 0.66 -0.12 -0.13 0.00 -0.02 0.00 0.00 35.03 35.42 2k3g n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k3g s ASP 89 N -1.55 4.69 0.77 4.39 1.01 -1.26 -5.11 116.67 119.60 2k3g s ASP 89 Ca 0.09 -0.54 -0.12 0.00 0.71 0.00 0.00 52.55 52.69 2k3g s ASP 89 Cb -0.00 -1.80 0.05 0.00 1.01 0.00 0.00 42.92 42.18 2k3g s ASP 89 CO 0.06 -0.09 1.14 -0.44 0.21 0.00 0.00 175.17 176.05 2k3g s SER 90 N 1.48 4.91 -0.55 0.27 0.01 -1.26 -4.95 113.70 113.61 2k3g s SER 90 Ca 0.04 0.93 -0.06 0.00 1.31 0.00 0.00 55.95 58.17 2k3g s SER 90 Cb -0.16 -1.55 -0.09 0.00 0.21 0.00 0.00 66.02 64.44 2k3g s SER 90 CO -0.01 -1.66 3.10 -0.81 0.41 0.00 0.00 173.24 174.26 2k3g n PRO 91 N -3.18 2.70 -2.70 12.44 -0.04 -1.26 -4.13 135.00 138.83 2k3g n PRO 91 Ca 0.08 -1.93 -0.05 0.00 -0.04 0.00 0.00 63.50 61.56 2k3g n PRO 91 Cb 0.59 -2.24 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 1.17 -0.04 0.00 0.00 175.50 176.63 2k3g n LYS 92 N 2.01 1.30 -1.36 0.54 4.81 -1.26 -5.15 118.16 119.05 2k3g n LYS 92 Ca 0.52 -1.93 -0.31 0.00 -0.87 0.00 0.00 58.31 55.72 2k3g n LYS 92 Cb 0.62 -0.16 0.08 0.00 0.02 0.00 0.00 35.03 35.58 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 -0.58 2.36 0.05 3.14 0.00 -1.26 -5.05 121.76 120.43 2k3g s ALA 93 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2k3g s ALA 93 Cb 0.42 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2k3g s ALA 93 CO -0.08 -1.62 0.00 1.04 0.00 0.00 0.00 175.76 175.09 2k3g n GLN 94 N -3.42 1.16 -0.78 0.00 1.13 -1.26 -5.09 117.38 109.13 2k3g n GLN 94 Ca 0.08 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.86 2k3g n GLN 94 Cb 0.53 0.00 0.22 0.00 0.11 0.00 0.00 30.24 31.10 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2k3g s LEU 95 N 0.00 1.24 0.10 1.08 2.96 -1.26 -4.82 118.68 117.98 2k3g s LEU 95 Ca 0.00 1.45 -0.31 0.00 -0.22 0.00 0.00 54.13 55.06 2k3g s LEU 95 Cb 0.00 -3.50 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 2k3g s LEU 95 CO 0.00 -3.75 1.45 -0.13 -1.32 0.00 0.00 176.35 172.60 2k3g s ARG 96 N -4.65 4.28 0.19 1.98 0.52 -1.26 -4.86 118.95 115.16 2k3g s ARG 96 Ca 0.67 2.13 -0.23 0.00 -0.52 0.00 0.00 55.73 57.78 2k3g s ARG 96 Cb -0.23 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 31.96 2k3g s ARG 96 CO 0.62 -0.52 0.72 -0.98 0.02 0.00 0.00 175.30 175.15 2k3g s ARG 97 N 1.53 1.43 0.06 3.54 1.70 -1.26 -2.83 118.95 123.12 2k3g s ARG 97 Ca 0.66 -0.69 0.05 0.00 -0.47 0.00 0.00 55.73 55.29 2k3g s ARG 97 Cb -0.37 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 2k3g s ARG 97 CO 0.30 -0.64 -0.14 0.99 -1.08 0.00 0.00 175.30 174.73 2k3g s THR 98 N -3.70 1.06 0.04 4.99 2.01 -0.62 -4.92 115.64 114.49 2k3g s THR 98 Ca 0.07 -1.21 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2k3g s THR 98 Cb -0.03 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 2k3g s THR 98 CO -0.03 -0.19 0.07 -0.51 -0.69 0.00 0.00 174.62 173.28 2k3g s ILE 99 N -1.18 0.14 -0.08 1.82 2.07 -1.26 -1.12 121.20 121.58 2k3g s ILE 99 Ca -0.02 -1.14 -0.03 0.00 -1.41 0.00 0.00 60.65 58.04 2k3g s ILE 99 Cb -0.09 -0.90 0.04 0.00 0.13 0.00 0.00 42.46 41.63 2k3g s ILE 99 CO 0.02 -0.63 0.17 -1.61 -1.91 0.00 0.00 174.94 170.97 2k3g s GLU 100 N -2.65 0.08 0.03 3.50 0.41 -0.52 -5.01 118.70 114.55 2k3g s GLU 100 Ca -0.05 0.48 0.01 0.00 -0.41 0.00 0.00 54.97 55.00 2k3g s GLU 100 Cb -0.01 -0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.10 2k3g s GLU 100 CO -0.05 -0.22 0.08 0.00 -0.49 0.00 0.00 175.26 174.58 2k3g n ARG 103 N 3.49 3.04 -3.95 0.00 0.63 -1.26 -1.86 116.66 116.75 2k3g n ARG 103 Ca -0.17 -3.84 -0.09 0.00 -0.92 0.00 0.00 57.85 52.82 2k3g n ARG 103 Cb 0.57 -2.27 -0.10 0.00 0.45 0.00 0.00 32.46 31.11 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 0.12 0.24 5.15 -4.23 -1.26 -5.04 115.64 105.51 2k3g s THR 104 Ca 0.53 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.75 2k3g s THR 104 Cb 0.44 -0.55 -0.11 0.00 1.34 0.00 0.00 72.50 73.62 2k3g s THR 104 CO -0.23 -0.54 1.61 0.54 -0.54 0.00 0.00 174.62 175.47 2k3g s ASN 105 N -1.72 6.45 -1.15 3.99 4.22 -1.26 -1.75 114.94 123.71 2k3g s ASN 105 Ca -0.11 2.83 0.00 0.00 -2.14 0.00 0.00 52.86 53.43 2k3g s ASN 105 Cb -0.06 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.86 2k3g s ASN 105 CO -0.02 -0.89 0.00 0.18 -2.04 0.00 0.00 177.10 174.33 2k3g n LEU 106 N 3.14 -1.10 0.30 3.54 4.77 -0.78 -4.82 117.00 122.04 2k3g n LEU 106 Ca 0.12 0.22 0.17 0.00 -0.03 0.00 0.00 56.01 56.49 2k3g n LEU 106 Cb 0.37 -2.11 0.94 0.00 -2.33 0.00 0.00 43.42 40.29 2k3g n LEU 106 CO 0.63 -0.28 1.09 0.00 -1.33 0.00 0.00 177.39 177.49 2k3g n ASN 108 N -3.45 0.62 -0.26 0.00 4.13 -1.26 -4.01 115.26 111.04 2k3g n ASN 108 Ca -0.02 0.26 -0.02 0.00 1.68 0.00 0.00 54.58 56.47 2k3g n ASN 108 Cb 0.15 0.69 0.16 0.00 -1.54 0.00 0.00 39.78 39.24 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 1.09 -0.64 3.52 4.15 -1.76 -2.07 115.11 119.41 2k3g h GLN 109 Ca -0.10 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2k3g h GLN 109 Cb 1.30 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2k3g h GLN 109 CO 0.02 0.81 0.00 0.66 -1.93 0.00 0.00 178.83 178.39 2k3g n TYR 110 N -4.34 1.68 -3.88 3.99 4.01 -1.24 -4.91 117.16 112.46 2k3g n TYR 110 Ca 0.08 -0.64 -0.36 0.00 -0.16 0.00 0.00 57.90 56.82 2k3g n TYR 110 Cb 0.11 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 38.68 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 3.53 -0.26 7.72 2.96 -0.78 -5.08 118.68 124.66 2k3g s LEU 111 Ca 0.53 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 53.42 2k3g s LEU 111 Cb 0.36 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2k3g s LEU 111 CO 0.23 -0.17 0.34 -1.58 -1.32 0.00 0.00 176.35 173.85 2k3g s GLN 112 N 1.38 4.03 0.43 1.98 0.74 -1.26 -4.93 119.66 122.02 2k3g s GLN 112 Ca 0.00 -0.00 -0.24 0.00 0.05 0.00 0.00 55.36 55.17 2k3g s GLN 112 Cb -0.17 -3.64 -0.08 0.00 1.10 0.00 0.00 33.01 30.22 2k3g s GLN 112 CO -0.02 -0.22 1.20 -1.25 -0.55 0.00 0.00 175.29 174.45 2k3g s PRO 113 N 1.90 3.86 -0.01 1.67 0.04 -1.26 -5.05 135.00 136.15 2k3g s PRO 113 Ca 0.14 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2k3g s PRO 113 Cb -0.16 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.85 2k3g s PRO 113 CO 0.10 -0.50 0.01 0.95 0.04 0.00 0.00 177.00 177.60 2k3g s THR 114 N -1.44 0.05 0.62 1.26 -4.23 -1.26 -5.05 115.64 105.60 2k3g s THR 114 Ca 0.61 0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 61.04 2k3g s THR 114 Cb -0.32 -0.12 -0.02 0.00 1.34 0.00 0.00 72.50 73.38 2k3g s THR 114 CO 0.39 0.07 1.08 -0.76 -0.54 0.00 0.00 174.62 174.86 2k3g s LEU 115 N 0.60 3.44 0.95 4.79 1.43 -1.26 -4.84 118.68 123.79 2k3g s LEU 115 Ca -0.05 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 2k3g s LEU 115 Cb -0.08 -4.54 0.16 0.00 0.03 0.00 0.00 46.19 41.77 2k3g s LEU 115 CO -0.01 -1.36 1.10 -2.84 0.23 0.00 0.00 176.35 173.47 2k3g s PRO 116 N -4.12 0.76 0.04 1.29 0.02 -1.26 -4.89 135.00 126.84 2k3g s PRO 116 Ca 0.65 1.21 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 2k3g s PRO 116 Cb -0.18 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 2k3g s PRO 116 CO 0.39 -2.70 1.82 -2.14 -0.33 0.00 0.00 177.00 174.04 2k3g s PRO 117 N -4.69 4.16 0.72 5.54 0.02 -1.26 -4.98 135.00 134.51 2k3g s PRO 117 Ca 0.66 2.47 -0.10 0.00 0.02 0.00 0.00 61.00 64.05 2k3g s PRO 117 Cb -0.22 -3.91 0.04 0.00 0.02 0.00 0.00 34.50 30.43 2k3g s PRO 117 CO 0.59 -0.87 1.09 0.08 -0.33 0.00 0.00 177.00 177.56 2k3g s VAL 118 N 3.70 2.85 0.57 3.83 1.01 -1.26 -5.08 120.40 126.03 2k3g s VAL 118 Ca 0.81 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 2k3g s VAL 118 Cb -0.41 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2k3g s VAL 118 CO 0.36 -0.31 0.87 0.54 0.00 0.00 0.00 175.10 176.56 2k3g s VAL 119 N -3.36 3.58 -0.09 2.92 0.11 -1.26 -5.11 120.40 117.19 2k3g s VAL 119 Ca 0.59 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.45 2k3g s VAL 119 Cb -0.11 -3.41 0.03 0.00 -1.53 0.00 0.00 36.38 31.36 2k3g s VAL 119 CO 0.49 -0.40 0.23 -0.51 -3.33 0.00 0.00 175.10 171.58 2k3g s ILE 120 N -2.93 -0.01 0.00 7.04 2.07 -1.26 -5.03 121.20 121.08 2k3g s ILE 120 Ca 0.54 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 2k3g s ILE 120 Cb -0.10 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.16 2k3g s ILE 120 CO 0.44 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 174.09 2k3g n GLY 121 N 3.14 -0.50 3.94 1.50 0.00 -1.26 -5.14 105.19 106.87 2k3g n GLY 121 Ca -0.14 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2k3g n GLY 121 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k3g s PRO 122 N 0.00 2.23 0.13 1.61 0.02 -1.26 -5.12 135.00 132.62 2k3g s PRO 122 Ca 0.00 -0.39 -0.18 0.00 0.02 0.00 0.00 61.00 60.46 2k3g s PRO 122 Cb 0.00 -2.23 0.04 0.00 0.02 0.00 0.00 34.50 32.33 2k3g s PRO 122 CO 0.00 -1.15 0.45 -0.59 -0.33 0.00 0.00 177.00 175.38 2k3g s PHE 123 N -3.15 -0.29 0.04 6.54 -0.71 -1.26 -5.18 117.98 113.96 2k3g s PHE 123 Ca 0.60 0.01 -0.21 0.00 -1.04 0.00 0.00 56.93 56.28 2k3g s PHE 123 Cb -0.10 0.33 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 2k3g s PHE 123 CO 0.43 -0.73 0.49 -0.06 -1.34 0.00 0.00 175.22 174.01 2k3g s PHE 124 N -3.75 -0.39 -0.12 3.49 0.08 -1.26 -5.07 117.98 110.97 2k3g s PHE 124 Ca 0.02 0.44 0.10 0.00 0.12 0.00 0.00 56.93 57.61 2k3g s PHE 124 Cb 0.01 0.30 0.22 0.00 -0.57 0.00 0.00 43.02 42.99 2k3g s PHE 124 CO -0.12 -0.61 1.19 -0.25 -0.10 0.00 0.00 175.22 175.33 2k3g n ASP 125 N 0.51 -0.60 -2.72 1.36 8.00 -1.26 -4.95 116.55 116.89 2k3g n ASP 125 Ca -0.19 -2.06 -0.06 0.00 0.71 0.00 0.00 54.79 53.19 2k3g n ASP 125 Cb 0.60 0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.98 2k3g n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k3g n GLY 126 N -0.41 1.67 3.74 0.44 0.00 -1.26 -5.10 105.19 104.27 2k3g n GLY 126 Ca -0.17 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 2k3g n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3g s SER 127 N -3.38 7.51 0.05 1.61 0.01 -1.26 -5.05 113.70 113.19 2k3g s SER 127 Ca 0.27 1.80 -0.16 0.00 1.31 0.00 0.00 55.95 59.17 2k3g s SER 127 Cb 0.41 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 64.00 2k3g s SER 127 CO 0.01 0.01 0.48 -0.63 0.41 0.00 0.00 173.24 173.52 2k3g s ILE 128 N -0.34 4.90 -2.48 1.44 -1.09 -1.26 -5.27 121.20 117.11 2k3g s ILE 128 Ca 0.44 0.96 0.28 0.00 -2.23 0.00 0.00 60.65 60.11 2k3g s ILE 128 Cb -0.24 -3.78 0.57 0.00 -1.58 0.00 0.00 42.46 37.43 2k3g s ILE 128 CO 0.30 0.53 1.77 -1.14 -1.23 0.00 0.00 174.94 175.16