#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 2.67 -1.32 1.61 -0.02 -1.26 -4.88 135.00 131.81 2k3g n PRO 29 Ca 0.00 0.98 -0.24 0.00 -2.02 0.00 0.00 63.50 62.22 2k3g n PRO 29 Cb 0.00 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 30.54 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 7.24 2.24 -2.41 -0.52 1.02 -1.26 -4.89 120.64 122.05 2k3g n GLU 30 Ca 0.21 -2.11 -0.38 0.00 -0.02 0.00 0.00 57.16 54.86 2k3g n GLU 30 Cb 0.37 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 2k3g n GLU 30 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k3g s ASP 31 N 0.34 6.18 -0.21 1.62 2.15 -1.26 -4.89 116.67 120.59 2k3g s ASP 31 Ca 0.52 -1.74 -0.01 0.00 0.43 0.00 0.00 52.55 51.75 2k3g s ASP 31 Cb 0.35 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.45 2k3g s ASP 31 CO -0.16 -1.83 -0.02 -0.89 -0.17 0.00 0.00 175.17 172.10 2k3g s THR 32 N 6.46 1.16 -0.08 1.71 2.01 -1.26 -5.10 115.64 120.53 2k3g s THR 32 Ca 0.56 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 2k3g s THR 32 Cb 0.00 -1.50 0.05 0.00 0.01 0.00 0.00 72.50 71.06 2k3g s THR 32 CO 0.02 -0.11 0.14 -0.76 -0.69 0.00 0.00 174.62 173.21 2k3g s LEU 33 N 1.57 -0.00 0.51 4.42 1.43 -1.26 -5.14 118.68 120.21 2k3g s LEU 33 Ca -0.04 0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 2k3g s LEU 33 Cb -0.18 0.15 -0.06 0.00 0.03 0.00 0.00 46.19 46.13 2k3g s LEU 33 CO -0.07 -0.26 1.39 -2.65 0.23 0.00 0.00 176.35 174.99 2k3g n PRO 34 N 5.32 1.90 -2.69 1.29 -0.02 -1.26 -4.97 135.00 134.57 2k3g n PRO 34 Ca -0.04 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 2k3g n PRO 34 Cb 0.50 -2.60 0.09 0.00 -0.02 0.00 0.00 33.50 31.47 2k3g n PRO 34 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2k3g n PHE 35 N -0.74 -1.27 -3.40 6.00 -1.74 -1.25 -5.01 117.46 110.05 2k3g n PHE 35 Ca 0.09 -2.20 0.01 0.00 -0.56 0.00 0.00 57.45 54.79 2k3g n PHE 35 Cb 0.43 0.95 -0.03 0.00 1.52 0.00 0.00 39.48 42.36 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 -3.19 -1.27 -0.19 5.98 2.96 -1.23 -4.96 118.68 116.79 2k3g s LEU 36 Ca 0.24 1.22 -0.10 0.00 -0.22 0.00 0.00 54.13 55.27 2k3g s LEU 36 Cb 0.42 2.23 -0.05 0.00 0.50 0.00 0.00 46.19 49.29 2k3g s LEU 36 CO -0.05 -0.24 0.14 -0.75 -1.32 0.00 0.00 176.35 174.13 2k3g s LYS 37 N 2.88 4.13 -0.03 1.98 2.20 -1.26 -1.81 119.74 127.83 2k3g s LYS 37 Ca 0.08 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 2k3g s LYS 37 Cb -0.14 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2k3g s LYS 37 CO -0.20 0.34 -0.20 0.00 -0.36 0.00 0.00 175.35 174.93 2k3g s TYR 39 N -0.69 3.58 -0.05 0.00 5.04 -1.26 -1.70 117.35 122.27 2k3g s TYR 39 Ca 0.11 1.47 0.06 0.00 -2.44 0.00 0.00 57.07 56.27 2k3g s TYR 39 Cb -0.10 -2.70 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 2k3g s TYR 39 CO 0.00 0.22 -0.22 0.00 -1.34 0.00 0.00 175.55 174.22 2k3g s SER 41 N -0.35 2.82 0.00 0.00 0.15 -1.26 -4.85 113.70 110.22 2k3g s SER 41 Ca 0.02 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2k3g s SER 41 Cb -0.12 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 2k3g s SER 41 CO 0.02 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2k3g n GLY 42 N 4.70 1.81 3.41 9.45 0.00 -1.26 -3.66 105.19 119.64 2k3g n GLY 42 Ca -0.18 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2k3g n GLY 42 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3g s HIS 43 N 0.00 3.22 -0.01 1.61 5.65 -1.26 -5.07 115.29 119.44 2k3g s HIS 43 Ca 0.00 -0.78 0.01 0.00 0.25 0.00 0.00 55.06 54.53 2k3g s HIS 43 Cb 0.00 -2.43 0.01 0.00 -1.18 0.00 0.00 32.58 28.98 2k3g s HIS 43 CO 0.00 -0.57 -0.02 0.00 -0.65 0.00 0.00 174.74 173.50 2k3g s PRO 45 N 0.21 2.33 0.54 0.00 0.04 -1.26 -4.87 135.00 131.99 2k3g s PRO 45 Ca -0.02 1.94 0.21 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 45 Cb -0.04 -1.83 1.47 0.00 0.04 0.00 0.00 34.50 34.13 2k3g s PRO 45 CO -0.01 -1.73 2.18 -0.44 0.04 0.00 0.00 177.00 177.04 2k3g h ASP 46 N 0.15 0.00 -0.42 6.66 3.32 -2.03 -1.26 116.42 122.85 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 0.51 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 2k3g n ASP 47 N -4.25 3.10 -4.85 6.45 5.75 -1.26 -4.97 116.55 116.52 2k3g n ASP 47 Ca -0.03 -2.25 -0.31 0.00 -0.01 0.00 0.00 54.79 52.19 2k3g n ASP 47 Cb 0.10 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.69 2.82 -0.01 2.12 0.00 -0.48 -5.07 121.76 119.45 2k3g s ALA 48 Ca 0.32 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.20 2k3g s ALA 48 Cb 0.20 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2k3g s ALA 48 CO 0.16 -1.09 -0.18 0.42 0.00 0.00 0.00 175.76 175.07 2k3g s ILE 49 N -3.20 1.44 -1.70 0.00 1.01 -1.11 -4.79 121.20 112.86 2k3g s ILE 49 Ca 0.57 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2k3g s ILE 49 Cb -0.12 -1.20 0.16 0.00 0.01 0.00 0.00 42.46 41.31 2k3g s ILE 49 CO 0.54 0.41 0.41 -0.46 0.00 0.00 0.00 174.94 175.84 2k3g n ASN 50 N 2.65 -1.00 -3.78 3.58 6.94 -1.26 -0.33 115.26 122.05 2k3g n ASN 50 Ca -0.15 -1.19 -0.26 0.00 -0.02 0.00 0.00 54.58 52.96 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 -2.40 -4.06 -3.99 0.53 5.03 -1.26 -5.00 115.26 104.11 2k3g n ASN 51 Ca -0.00 -0.74 -0.09 0.00 0.87 0.00 0.00 54.58 54.62 2k3g n ASN 51 Cb 0.49 -4.19 -0.08 0.00 -1.02 0.00 0.00 39.78 34.97 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 -3.40 0.14 0.13 3.41 -4.23 0.56 -2.59 115.64 109.66 2k3g s THR 52 Ca 0.46 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2k3g s THR 52 Cb -0.22 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 2k3g s THR 52 CO 0.80 -0.64 0.05 0.00 -0.54 0.00 0.00 174.62 174.29 2k3g s ILE 54 N -4.02 3.40 0.03 0.00 1.01 -1.26 -1.60 121.20 118.75 2k3g s ILE 54 Ca 0.23 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 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 -0.02 0.28 0.00 0.00 0.00 174.94 175.74 2k3g s THR 55 N 0.14 0.14 -0.33 2.92 -1.32 -0.75 -5.00 115.64 111.44 2k3g s THR 55 Ca -0.05 -1.15 0.08 0.00 -1.21 0.00 0.00 61.69 59.37 2k3g s THR 55 Cb -0.14 -0.63 0.56 0.00 -1.51 0.00 0.00 72.50 70.77 2k3g s THR 55 CO 0.04 -0.63 1.59 -0.46 -2.21 0.00 0.00 174.62 172.95 2k3g n ASN 56 N 1.16 2.89 0.00 8.08 6.94 -1.26 -3.48 115.26 129.59 2k3g n ASN 56 Ca -0.21 -3.70 0.00 0.00 -0.02 0.00 0.00 54.58 50.65 2k3g n ASN 56 Cb 0.57 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.09 0.76 3.53 4.83 0.00 -1.24 -4.51 105.19 107.48 2k3g n GLY 57 Ca 0.40 -0.01 -0.11 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 0.28 0.60 -0.02 1.61 3.76 -1.19 -4.90 115.29 115.42 2k3g s HIS 58 Ca 0.00 -0.93 -0.14 0.00 -0.15 0.00 0.00 55.06 53.84 2k3g s HIS 58 Cb 0.00 0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.70 2k3g s HIS 58 CO 0.00 -1.00 0.38 0.00 -0.85 0.00 0.00 174.74 173.27 2k3g s PHE 60 N -0.94 1.41 -0.11 0.00 -0.12 -1.10 -2.30 117.98 114.83 2k3g s PHE 60 Ca 0.23 -0.52 -0.15 0.00 -0.05 0.00 0.00 56.93 56.44 2k3g s PHE 60 Cb -0.16 -0.75 0.04 0.00 -0.63 0.00 0.00 43.02 41.52 2k3g s PHE 60 CO 0.12 0.14 0.39 0.00 -0.05 0.00 0.00 175.22 175.82 2k3g s ALA 61 N -1.86 -0.98 0.01 1.99 0.00 -0.96 -2.36 121.76 117.60 2k3g s ALA 61 Ca 0.07 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 52.90 2k3g s ALA 61 Cb -0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 2k3g s ALA 61 CO 0.03 -0.22 0.08 -1.50 0.00 0.00 0.00 175.76 174.15 2k3g s ILE 62 N -0.30 0.09 0.01 0.00 2.07 -0.59 -1.56 121.20 120.91 2k3g s ILE 62 Ca -0.04 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 2k3g s ILE 62 Cb -0.03 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 2k3g s ILE 62 CO 0.02 -0.39 -0.04 -0.51 -1.91 0.00 0.00 174.94 172.11 2k3g s ILE 63 N -1.31 0.23 -0.06 2.00 2.07 -0.40 -2.36 121.20 121.38 2k3g s ILE 63 Ca -0.14 -0.56 -0.12 0.00 -1.41 0.00 0.00 60.65 58.41 2k3g s ILE 63 Cb -0.08 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.25 2k3g s ILE 63 CO 0.01 -0.22 0.29 -1.61 -1.91 0.00 0.00 174.94 171.50 2k3g s GLU 64 N -0.83 0.52 -0.29 3.50 2.02 -1.21 -1.90 118.70 120.51 2k3g s GLU 64 Ca -0.07 0.05 -0.11 0.00 0.02 0.00 0.00 54.97 54.87 2k3g s GLU 64 Cb -0.06 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.38 2k3g s GLU 64 CO -0.00 -0.12 0.18 -2.00 0.02 0.00 0.00 175.26 173.34 2k3g s GLU 65 N -0.70 3.70 0.77 1.61 -6.30 -1.21 -1.98 118.70 114.59 2k3g s GLU 65 Ca -0.08 -0.48 -0.06 0.00 -2.50 0.00 0.00 54.97 51.85 2k3g s GLU 65 Cb -0.04 -3.63 0.12 0.00 0.00 0.00 0.00 34.13 30.58 2k3g s GLU 65 CO 0.02 -0.28 1.07 0.16 0.02 0.00 0.00 175.26 176.25 2k3g s ASP 66 N 1.71 4.21 0.53 -1.70 1.47 -0.97 -4.85 116.67 117.06 2k3g s ASP 66 Ca 0.06 0.04 0.35 0.00 1.18 0.00 0.00 52.55 54.19 2k3g s ASP 66 Cb -0.16 -0.43 1.91 0.00 -0.34 0.00 0.00 42.92 43.90 2k3g s ASP 66 CO 0.09 -1.98 2.09 -0.78 0.68 0.00 0.00 175.17 175.27 2k3g h ASP 67 N -0.80 0.00 0.38 2.11 3.58 -1.98 0.09 116.42 119.80 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 -2.75 0.03 -0.55 0.28 6.02 -1.26 -4.97 117.38 114.18 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 29.81 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 1.49 0.74 3.87 1.08 0.00 0.02 -5.08 105.19 107.32 2k3g n GLY 69 Ca 0.05 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.15 3.61 -0.20 1.61 2.02 -1.26 -4.88 118.70 118.45 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 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2k3g s GLU 70 CO 0.00 0.68 0.38 0.95 0.02 0.00 0.00 175.26 177.29 2k3g s THR 71 N -1.20 5.22 -0.38 3.63 -4.23 -1.26 -2.30 115.64 115.12 2k3g s THR 71 Ca 0.24 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.26 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 0.13 0.27 0.36 0.42 -0.54 0.00 0.00 174.62 175.25 2k3g s THR 72 N 1.22 5.18 -0.20 3.99 -4.23 -0.84 -4.90 115.64 115.86 2k3g s THR 72 Ca 0.18 -0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.35 2k3g s THR 72 Cb -0.15 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.76 2k3g s THR 72 CO 0.07 -0.21 0.25 -0.76 -0.54 0.00 0.00 174.62 173.44 2k3g s LEU 73 N 1.96 4.17 -0.01 4.79 1.02 -1.26 -3.36 118.68 125.99 2k3g s LEU 73 Ca 0.10 0.34 -0.04 0.00 0.02 0.00 0.00 54.13 54.55 2k3g s LEU 73 Cb -0.17 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2k3g s LEU 73 CO 0.12 0.05 0.08 0.00 0.02 0.00 0.00 176.35 176.63 2k3g s ALA 74 N 0.86 -0.19 0.16 4.21 0.00 -0.99 -4.58 121.76 121.23 2k3g s ALA 74 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2k3g s ALA 74 Cb -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2k3g s ALA 74 CO 0.04 -0.12 0.18 -1.54 0.00 0.00 0.00 175.76 174.32 2k3g s SER 75 N -0.74 0.16 0.00 0.00 1.04 -1.24 -1.54 113.70 111.37 2k3g s SER 75 Ca -0.08 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2k3g s SER 75 Cb -0.05 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2k3g s SER 75 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2k3g n GLY 76 N -0.19 0.55 3.75 7.32 0.00 -0.99 -3.99 105.19 111.64 2k3g n GLY 76 Ca -0.04 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 0.15 4.02 0.69 0.00 1.75 -0.91 -4.96 119.30 120.03 2k3g s MET 78 Ca 0.16 -0.19 -0.15 0.00 -1.25 0.00 0.00 55.69 54.27 2k3g s MET 78 Cb -0.13 -3.62 0.02 0.00 2.84 0.00 0.00 34.83 33.94 2k3g s MET 78 CO 0.04 -0.12 1.13 -1.59 -0.65 0.00 0.00 175.02 173.83 2k3g s LYS 79 N 1.60 2.58 0.49 4.11 -2.85 -1.26 -3.15 119.74 121.26 2k3g s LYS 79 Ca 0.10 1.45 -0.22 0.00 -1.00 0.00 0.00 55.97 56.30 2k3g s LYS 79 Cb -0.15 -1.92 -0.06 0.00 -2.06 0.00 0.00 37.83 33.64 2k3g s LYS 79 CO 0.09 -1.43 1.23 -0.47 0.10 0.00 0.00 175.35 174.87 2k3g s TYR 80 N -2.32 2.66 0.00 1.78 5.04 -1.26 -4.75 117.35 118.50 2k3g s TYR 80 Ca 0.68 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.79 2k3g s TYR 80 Cb -0.22 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.57 2k3g s TYR 80 CO 0.44 -2.00 0.00 0.39 -1.34 0.00 0.00 175.55 173.04 2k3g n GLU 81 N -0.71 0.00 0.00 4.97 1.02 -1.26 -5.04 120.64 119.61 2k3g n GLU 81 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2k3g n GLU 81 Cb 0.47 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 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 -0.14 0.10 3.16 0.62 0.00 -1.26 -5.15 105.19 102.51 2k3g n GLY 82 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.58 0.09 1.61 0.01 -1.26 -5.02 113.70 108.55 2k3g s SER 83 Ca 0.00 0.77 -0.14 0.00 1.31 0.00 0.00 55.95 57.89 2k3g s SER 83 Cb 0.00 1.67 -0.19 0.00 0.21 0.00 0.00 66.02 67.71 2k3g s SER 83 CO 0.00 -0.26 1.25 -2.24 0.41 0.00 0.00 173.24 172.40 2k3g h ASP 84 N 8.10 0.91 -0.01 2.44 2.03 -2.01 -3.41 116.42 124.47 2k3g h ASP 84 Ca -0.20 -0.67 -0.15 0.00 -0.73 0.00 0.00 57.03 55.28 2k3g h ASP 84 Cb 1.14 -0.27 -0.19 0.00 -0.83 0.00 0.00 39.33 39.18 2k3g h ASP 84 CO 0.22 1.45 -0.45 0.33 -1.03 0.00 0.00 179.24 179.76 2k3g n PHE 85 N -3.93 -0.20 -2.45 4.15 7.35 -1.26 -4.95 117.46 116.18 2k3g n PHE 85 Ca -0.09 -0.70 -0.39 0.00 -0.76 0.00 0.00 57.45 55.52 2k3g n PHE 85 Cb 0.79 0.48 -0.02 0.00 0.35 0.00 0.00 39.48 41.08 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 -0.11 3.51 -0.37 -4.13 -0.21 -1.26 -4.72 119.66 112.37 2k3g s GLN 86 Ca 0.08 -1.45 0.05 0.00 0.02 0.00 0.00 55.36 54.07 2k3g s GLN 86 Cb 0.13 -5.40 0.45 0.00 1.00 0.00 0.00 33.01 29.20 2k3g s GLN 86 CO -0.05 -2.61 1.28 0.00 -2.12 0.00 0.00 175.29 171.79 2k3g n LYS 88 N -0.68 -0.12 -0.86 0.00 5.02 -1.26 -5.06 118.16 115.20 2k3g n LYS 88 Ca 0.45 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2k3g n LYS 88 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 2k3g n LYS 88 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k3g n ASP 89 N -2.97 0.00 -3.25 4.39 -0.08 -1.26 -5.15 116.55 108.24 2k3g n ASP 89 Ca 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.17 2k3g n ASP 89 Cb 0.00 -0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 2k3g n ASP 89 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2k3g s SER 90 N -1.01 0.23 -1.06 1.67 0.01 -1.26 -5.03 113.70 107.26 2k3g s SER 90 Ca 0.00 -1.16 -0.08 0.00 1.31 0.00 0.00 55.95 56.03 2k3g s SER 90 Cb -0.00 0.75 -0.09 0.00 0.21 0.00 0.00 66.02 66.89 2k3g s SER 90 CO 0.00 -1.48 3.04 -0.81 0.41 0.00 0.00 173.24 174.41 2k3g n PRO 91 N -0.52 3.29 -2.69 12.44 -0.04 -1.26 -4.30 135.00 141.92 2k3g n PRO 91 Ca -0.04 -2.08 -0.07 0.00 -0.04 0.00 0.00 63.50 61.26 2k3g n PRO 91 Cb 0.60 -2.51 0.10 0.00 -0.04 0.00 0.00 33.50 31.66 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 2.80 1.20 -0.83 0.54 2.85 -1.26 -5.15 118.16 118.31 2k3g n LYS 92 Ca 0.65 -2.10 -0.30 0.00 -1.05 0.00 0.00 58.31 55.51 2k3g n LYS 92 Cb 0.44 -0.28 0.25 0.00 -0.65 0.00 0.00 35.03 34.80 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3g s ALA 93 N -0.52 0.12 0.00 0.58 0.00 -1.26 -5.06 121.76 115.62 2k3g s ALA 93 Ca 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2k3g s ALA 93 Cb 0.41 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2k3g s ALA 93 CO -0.07 -3.91 0.00 0.94 0.00 0.00 0.00 175.76 172.72 2k3g n GLN 94 N -5.04 0.00 -0.90 0.00 7.27 -1.26 -5.16 117.38 112.29 2k3g n GLN 94 Ca 0.12 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.89 2k3g n GLN 94 Cb 0.59 0.00 0.16 0.00 2.41 0.00 0.00 30.24 33.40 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 2.48 0.11 1.69 2.96 -1.26 -4.88 118.68 119.78 2k3g s LEU 95 Ca 0.00 1.87 -0.31 0.00 -0.22 0.00 0.00 54.13 55.47 2k3g s LEU 95 Cb 0.00 -4.26 -0.08 0.00 0.50 0.00 0.00 46.19 42.35 2k3g s LEU 95 CO 0.00 -2.93 1.43 -0.13 -1.32 0.00 0.00 176.35 173.40 2k3g s ARG 96 N -4.74 4.30 0.19 1.98 0.52 -1.26 -4.97 118.95 114.97 2k3g s ARG 96 Ca 0.65 2.12 -0.23 0.00 -0.52 0.00 0.00 55.73 57.75 2k3g s ARG 96 Cb -0.21 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.03 2k3g s ARG 96 CO 0.58 -0.49 0.72 -0.98 0.02 0.00 0.00 175.30 175.15 2k3g s ARG 97 N 1.32 1.44 0.07 3.54 1.70 -1.26 -3.32 118.95 122.43 2k3g s ARG 97 Ca 0.66 -0.69 0.06 0.00 -0.47 0.00 0.00 55.73 55.28 2k3g s ARG 97 Cb -0.37 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2k3g s ARG 97 CO 0.30 -0.65 -0.15 0.99 -1.08 0.00 0.00 175.30 174.71 2k3g s THR 98 N -3.70 1.23 0.04 4.99 2.01 -0.80 -4.91 115.64 114.50 2k3g s THR 98 Ca 0.07 -1.29 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 2k3g s THR 98 Cb -0.03 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2k3g s THR 98 CO -0.03 -0.14 0.07 -0.51 -0.69 0.00 0.00 174.62 173.32 2k3g s ILE 99 N -1.16 0.15 0.02 1.82 2.07 -1.26 -1.28 121.20 121.55 2k3g s ILE 99 Ca 0.00 -1.22 -0.10 0.00 -1.41 0.00 0.00 60.65 57.93 2k3g s ILE 99 Cb -0.10 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.50 2k3g s ILE 99 CO 0.02 -0.67 0.20 -1.61 -1.91 0.00 0.00 174.94 170.97 2k3g s GLU 100 N -2.88 0.61 0.00 3.50 2.02 -0.60 -5.02 118.70 116.33 2k3g s GLU 100 Ca -0.03 -0.46 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 2k3g s GLU 100 Cb 0.00 0.26 -0.00 0.00 0.10 0.00 0.00 34.13 34.49 2k3g s GLU 100 CO -0.06 -0.17 0.08 0.00 0.02 0.00 0.00 175.26 175.14 2k3g n ARG 103 N 3.13 3.49 -3.79 0.00 0.63 -1.26 -2.13 116.66 116.72 2k3g n ARG 103 Ca -0.16 -4.16 -0.12 0.00 -0.92 0.00 0.00 57.85 52.49 2k3g n ARG 103 Cb 0.56 -2.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.09 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 -5.00 0.08 0.25 5.15 -4.23 -1.26 -5.06 115.64 105.57 2k3g s THR 104 Ca 0.48 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 60.05 2k3g s THR 104 Cb 0.36 -0.72 -0.11 0.00 1.34 0.00 0.00 72.50 73.38 2k3g s THR 104 CO -0.27 -0.35 1.59 0.54 -0.54 0.00 0.00 174.62 175.59 2k3g s ASN 105 N -1.65 6.45 -1.18 3.99 2.20 -1.26 -1.73 114.94 121.76 2k3g s ASN 105 Ca -0.10 2.84 0.00 0.00 -0.94 0.00 0.00 52.86 54.66 2k3g s ASN 105 Cb -0.04 -2.62 0.00 0.00 -2.00 0.00 0.00 41.25 36.59 2k3g s ASN 105 CO 0.01 -0.88 0.00 0.18 -2.94 0.00 0.00 177.10 173.47 2k3g n LEU 106 N 2.79 -1.09 0.30 3.54 4.77 -0.79 -4.82 117.00 121.69 2k3g n LEU 106 Ca 0.10 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.49 2k3g n LEU 106 Cb 0.38 -2.10 0.95 0.00 -2.33 0.00 0.00 43.42 40.32 2k3g n LEU 106 CO 0.63 -0.32 1.09 0.00 -1.33 0.00 0.00 177.39 177.46 2k3g n ASN 108 N -3.33 0.67 -0.19 0.00 5.03 -1.26 -3.99 115.26 112.19 2k3g n ASN 108 Ca -0.02 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.71 2k3g n ASN 108 Cb 0.16 0.61 0.25 0.00 -1.02 0.00 0.00 39.78 39.78 2k3g n ASN 108 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 2k3g h GLN 109 N 0.00 0.94 -0.63 3.52 4.15 -1.76 -1.64 115.11 119.70 2k3g h GLN 109 Ca -0.10 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2k3g h GLN 109 Cb 1.31 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2k3g h GLN 109 CO 0.02 0.65 0.00 0.66 -1.93 0.00 0.00 178.83 178.23 2k3g n TYR 110 N -4.40 1.63 -3.86 3.99 4.01 -1.25 -4.92 117.16 112.36 2k3g n TYR 110 Ca 0.07 -0.65 -0.36 0.00 -0.16 0.00 0.00 57.90 56.81 2k3g n TYR 110 Cb 0.06 -0.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.64 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 3.67 -0.27 7.72 2.96 -0.62 -5.08 118.68 124.97 2k3g s LEU 111 Ca 0.52 -0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 2k3g s LEU 111 Cb 0.35 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 2k3g s LEU 111 CO 0.22 -0.20 0.33 -1.58 -1.32 0.00 0.00 176.35 173.80 2k3g s GLN 112 N 1.38 4.02 0.49 1.98 0.74 -1.26 -4.94 119.66 122.07 2k3g s GLN 112 Ca -0.00 -0.04 -0.21 0.00 0.05 0.00 0.00 55.36 55.16 2k3g s GLN 112 Cb -0.18 -3.64 -0.07 0.00 1.10 0.00 0.00 33.01 30.22 2k3g s GLN 112 CO -0.01 -0.22 1.14 -1.25 -0.55 0.00 0.00 175.29 174.40 2k3g s PRO 113 N 1.90 3.61 0.02 1.67 0.04 -1.26 -5.06 135.00 135.91 2k3g s PRO 113 Ca 0.13 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2k3g s PRO 113 Cb -0.16 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 2k3g s PRO 113 CO 0.10 -0.66 -0.04 0.95 0.04 0.00 0.00 177.00 177.39 2k3g s THR 114 N -1.66 0.20 0.52 1.26 -4.23 -1.26 -5.04 115.64 105.41 2k3g s THR 114 Ca 0.67 -0.94 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 2k3g s THR 114 Cb -0.26 -0.33 -0.07 0.00 1.34 0.00 0.00 72.50 73.18 2k3g s THR 114 CO 0.30 -0.47 1.09 -0.76 -0.54 0.00 0.00 174.62 174.24 2k3g s LEU 115 N -1.48 3.80 0.78 4.79 1.43 -1.26 -4.78 118.68 121.96 2k3g s LEU 115 Ca -0.15 2.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 2k3g s LEU 115 Cb -0.10 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.62 2k3g s LEU 115 CO -0.01 -1.03 1.09 -2.16 0.23 0.00 0.00 176.35 174.48 2k3g s PRO 116 N -3.24 2.22 0.56 1.29 0.04 -1.26 -5.00 135.00 129.61 2k3g s PRO 116 Ca 0.70 1.15 -0.19 0.00 0.04 0.00 0.00 61.00 62.70 2k3g s PRO 116 Cb -0.21 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2k3g s PRO 116 CO 0.24 -1.67 1.16 -1.25 0.04 0.00 0.00 177.00 175.53 2k3g s PRO 117 N -4.91 3.21 0.73 0.56 0.04 -1.26 -5.02 135.00 128.35 2k3g s PRO 117 Ca 0.61 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2k3g s PRO 117 Cb -0.17 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2k3g s PRO 117 CO 0.56 -0.99 1.11 0.08 0.04 0.00 0.00 177.00 177.80 2k3g s VAL 118 N -1.69 3.28 0.16 -0.36 1.01 -1.26 -5.05 120.40 116.49 2k3g s VAL 118 Ca 0.75 0.42 -0.14 0.00 0.00 0.00 0.00 61.98 63.00 2k3g s VAL 118 Cb -0.27 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 2k3g s VAL 118 CO 0.29 -0.54 0.56 0.54 0.00 0.00 0.00 175.10 175.95 2k3g s VAL 119 N -3.35 4.84 -0.19 2.92 0.11 -1.26 -5.08 120.40 118.39 2k3g s VAL 119 Ca 0.59 0.82 -0.08 0.00 -2.93 0.00 0.00 61.98 60.38 2k3g s VAL 119 Cb -0.11 -3.73 0.08 0.00 -1.53 0.00 0.00 36.38 31.08 2k3g s VAL 119 CO 0.52 0.20 0.42 -0.51 -3.33 0.00 0.00 175.10 172.40 2k3g s ILE 120 N -1.52 -0.37 -0.49 7.04 2.07 -1.26 -4.97 121.20 121.69 2k3g s ILE 120 Ca 0.39 0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.75 2k3g s ILE 120 Cb -0.15 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 2k3g s ILE 120 CO 0.19 0.06 0.45 0.61 -1.91 0.00 0.00 174.94 174.34 2k3g n GLY 121 N 4.90 -0.62 3.73 1.50 0.00 -1.26 -4.93 105.19 108.50 2k3g n GLY 121 Ca -0.15 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.85 2.54 -3.03 1.61 -0.02 -1.26 -4.97 135.00 128.02 2k3g n PRO 122 Ca -0.02 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 61.97 2k3g n PRO 122 Cb 0.53 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 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 -0.05 3.63 0.32 6.00 0.40 -1.26 -5.04 117.98 121.98 2k3g s PHE 123 Ca 0.65 1.32 -0.28 0.00 -0.60 0.00 0.00 56.93 58.01 2k3g s PHE 123 Cb -0.53 -2.81 -0.10 0.00 0.51 0.00 0.00 43.02 40.10 2k3g s PHE 123 CO 0.49 0.15 1.16 -0.59 0.70 0.00 0.00 175.22 177.13 2k3g s PHE 124 N 0.52 3.35 -0.31 0.36 -0.12 -1.26 -5.02 117.98 115.50 2k3g s PHE 124 Ca 0.38 1.60 0.04 0.00 -0.05 0.00 0.00 56.93 58.90 2k3g s PHE 124 Cb -0.19 -3.40 0.18 0.00 -0.63 0.00 0.00 43.02 38.98 2k3g s PHE 124 CO 0.20 -1.01 0.49 -0.51 -0.05 0.00 0.00 175.22 174.34 2k3g s ASP 125 N -0.84 -0.44 -0.14 1.98 1.01 -1.26 -5.01 116.67 111.97 2k3g s ASP 125 Ca 0.48 -0.34 0.24 0.00 0.71 0.00 0.00 52.55 53.64 2k3g s ASP 125 Cb -0.33 1.47 0.46 0.00 1.01 0.00 0.00 42.92 45.53 2k3g s ASP 125 CO 0.43 -0.31 1.14 0.61 0.21 0.00 0.00 175.17 177.26 2k3g n GLY 126 N 5.18 1.42 3.01 0.21 0.00 -1.26 -5.02 105.19 108.74 2k3g n GLY 126 Ca 0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.92 -0.47 -0.12 1.61 0.15 -1.26 -5.14 113.70 105.56 2k3g s SER 127 Ca 0.29 -0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.64 2k3g s SER 127 Cb 0.35 1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 66.12 2k3g s SER 127 CO -0.10 -0.33 0.52 -0.63 1.20 0.00 0.00 173.24 173.90 2k3g s ILE 128 N 2.67 5.16 -2.51 6.45 1.01 -1.26 -5.29 121.20 127.43 2k3g s ILE 128 Ca 0.10 1.04 0.28 0.00 0.00 0.00 0.00 60.65 62.07 2k3g s ILE 128 Cb -0.12 -3.86 0.55 0.00 0.01 0.00 0.00 42.46 39.04 2k3g s ILE 128 CO -0.28 0.30 1.74 -1.14 0.00 0.00 0.00 174.94 175.56