#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxw h ARG 6 N 0.00 0.70 0.08 -0.41 2.43 -2.00 -2.71 114.38 112.47 3gxw h ARG 6 Ca 0.00 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 58.86 3gxw h ARG 6 Cb 0.00 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3gxw h ARG 6 CO 0.00 0.51 -1.00 0.28 -1.51 0.00 0.00 179.97 178.24 3gxw h VAL 7 N 0.71 1.35 -0.84 0.20 2.07 -1.96 -3.17 116.25 114.61 3gxw h VAL 7 Ca 0.19 -2.35 0.23 0.00 0.82 0.00 0.00 66.70 65.58 3gxw h VAL 7 Cb 0.00 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3gxw h VAL 7 CO -0.03 0.70 0.59 0.40 0.02 0.00 0.00 177.57 179.25 3gxw h ILE 8 N 0.10 0.60 -0.01 4.57 1.08 -1.92 0.71 117.51 122.64 3gxw h ILE 8 Ca -0.15 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3gxw h ILE 8 Cb 1.71 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3gxw h ILE 8 CO 0.19 0.01 -0.28 0.59 -0.69 0.00 0.00 178.15 177.97 3gxw n ASN 9 N -4.33 1.12 -4.76 1.72 3.02 -1.10 -4.84 115.26 106.09 3gxw n ASN 9 Ca 0.17 -0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 3gxw n ASN 9 Cb 0.86 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 40.18 3gxw n ASN 9 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3gxw s HIS 10 N -2.50 3.02 0.56 3.10 2.46 0.25 -4.90 115.29 117.27 3gxw s HIS 10 Ca 0.24 1.30 0.27 0.00 0.47 0.00 0.00 55.06 57.33 3gxw s HIS 10 Cb 0.19 -3.73 1.48 0.00 -0.13 0.00 0.00 32.58 30.39 3gxw s HIS 10 CO 0.53 -2.13 2.01 -1.35 -2.47 0.00 0.00 174.74 171.33 3gxw h PRO 11 N 3.82 0.00 -0.52 2.88 0.11 -1.91 0.01 132.00 136.38 3gxw h PRO 11 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gxw h PRO 11 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gxw h PRO 11 CO 0.69 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 3gxw n TYR 12 N -4.10 0.69 -2.56 0.65 4.02 -1.26 -4.94 117.16 109.66 3gxw n TYR 12 Ca 0.07 -0.34 -0.39 0.00 -0.01 0.00 0.00 57.90 57.22 3gxw n TYR 12 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.79 3gxw n TYR 12 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3gxw s TYR 13 N -1.31 3.62 -0.15 -0.72 5.04 -0.01 -0.51 117.35 123.32 3gxw s TYR 13 Ca 0.41 1.74 -0.01 0.00 -2.44 0.00 0.00 57.07 56.77 3gxw s TYR 13 Cb 0.22 -3.18 0.04 0.00 0.35 0.00 0.00 41.96 39.39 3gxw s TYR 13 CO 0.30 -0.31 -0.05 0.12 -1.34 0.00 0.00 175.55 174.27 3gxw s PHE 14 N -1.26 1.51 -1.37 4.97 5.36 0.50 -4.85 117.98 122.83 3gxw s PHE 14 Ca 0.46 -0.90 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 3gxw s PHE 14 Cb -0.29 -1.23 0.00 0.00 -0.34 0.00 0.00 43.02 41.16 3gxw s PHE 14 CO 0.36 -0.56 0.61 -0.35 -1.46 0.00 0.00 175.22 173.82 3gxw n PRO 15 N 4.93 0.89 -2.92 10.12 -0.04 -1.26 -4.39 135.00 142.32 3gxw n PRO 15 Ca -0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 3gxw n PRO 15 Cb 0.48 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 3gxw n PRO 15 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gxw n PHE 16 N -0.15 0.40 -2.29 0.54 3.72 -1.26 -5.01 117.46 113.41 3gxw n PHE 16 Ca 0.00 -0.86 -0.26 0.00 -0.05 0.00 0.00 57.45 56.28 3gxw n PHE 16 Cb 0.14 -0.11 0.14 0.00 -0.94 0.00 0.00 39.48 38.71 3gxw n PHE 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3gxw s ASN 17 N -1.96 3.81 0.19 4.37 2.20 -1.26 -4.64 114.94 117.65 3gxw s ASN 17 Ca 0.00 -0.07 -0.13 0.00 -0.94 0.00 0.00 52.86 51.72 3gxw s ASN 17 Cb 0.00 -0.16 0.19 0.00 -2.00 0.00 0.00 41.25 39.27 3gxw s ASN 17 CO 0.00 -2.24 1.74 1.23 -2.94 0.00 0.00 177.10 174.88 3gxw h GLY 18 N -1.02 0.66 1.00 0.45 0.00 -1.99 0.66 103.07 102.83 3gxw h GLY 18 Ca -0.40 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gxw h GLY 18 CO 0.40 -0.02 0.38 1.70 0.00 0.00 0.00 176.54 178.99 3gxw h LYS 19 N 0.32 0.85 0.00 4.80 1.63 -1.99 -0.76 116.57 121.42 3gxw h LYS 19 Ca 0.25 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 3gxw h LYS 19 Cb 0.29 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3gxw h LYS 19 CO -0.27 0.61 -0.38 1.96 -3.45 0.00 0.00 179.45 177.92 3gxw h GLN 20 N 0.85 0.00 -0.28 1.90 4.20 -1.81 -1.43 115.11 118.53 3gxw h GLN 20 Ca 0.22 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 3gxw h GLN 20 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3gxw h GLN 20 CO -0.04 0.38 -0.24 0.00 -0.67 0.00 0.00 178.83 178.26 3gxw h ALA 21 N 1.62 0.41 -0.88 3.87 0.00 -0.14 -1.26 119.26 122.88 3gxw h ALA 21 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gxw h ALA 21 Cb 0.68 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3gxw h ALA 21 CO 0.05 0.38 0.56 0.93 0.00 0.00 0.00 179.25 181.17 3gxw h GLU 22 N 0.39 1.18 -0.60 0.00 5.08 -0.70 -0.94 114.58 118.99 3gxw h GLU 22 Ca 0.05 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3gxw h GLU 22 Cb 0.79 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3gxw h GLU 22 CO 0.06 0.80 0.30 -0.44 -1.00 0.00 0.00 179.01 178.73 3gxw h ASP 23 N 1.20 0.78 -0.54 1.42 3.32 -1.11 0.10 116.42 121.59 3gxw h ASP 23 Ca 0.32 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3gxw h ASP 23 Cb -0.10 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3gxw h ASP 23 CO -0.07 0.68 0.35 0.22 -1.72 0.00 0.00 179.24 178.70 3gxw h TYR 24 N 0.82 0.65 0.00 4.55 3.20 -0.62 -2.92 116.97 122.65 3gxw h TYR 24 Ca 0.21 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3gxw h TYR 24 Cb 0.10 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3gxw h TYR 24 CO -0.00 0.40 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.68 3gxw h LEU 25 N 0.70 0.00 -0.78 2.82 3.38 -0.88 -3.39 115.31 117.16 3gxw h LEU 25 Ca 0.21 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3gxw h LEU 25 Cb -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.59 3gxw h LEU 25 CO -0.06 0.17 -0.37 -1.14 0.09 0.00 0.00 178.44 177.13 3gxw n ARG 26 N -3.17 -0.25 -0.13 1.13 0.63 -0.01 0.38 116.66 115.25 3gxw n ARG 26 Ca 0.03 1.19 0.09 0.00 -0.92 0.00 0.00 57.85 58.23 3gxw n ARG 26 Cb 0.55 -1.75 0.29 0.00 0.45 0.00 0.00 32.46 32.00 3gxw n ARG 26 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3gxw n SER 27 N -5.07 1.89 -4.64 6.15 3.41 -1.26 -4.79 113.62 109.31 3gxw n SER 27 Ca 0.05 -1.84 -0.29 0.00 -0.26 0.00 0.00 58.87 56.54 3gxw n SER 27 Cb 0.26 -0.17 0.12 0.00 -0.26 0.00 0.00 64.21 64.17 3gxw n SER 27 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gxw s LYS 28 N -1.66 1.52 0.47 4.33 -0.14 0.16 -5.04 119.74 119.38 3gxw s LYS 28 Ca 0.30 -0.12 -0.20 0.00 -1.36 0.00 0.00 55.97 54.59 3gxw s LYS 28 Cb 0.16 -1.94 -0.09 0.00 -1.68 0.00 0.00 37.83 34.28 3gxw s LYS 28 CO 0.23 -1.85 1.00 -1.21 -0.76 0.00 0.00 175.35 172.76 3gxw s GLU 29 N -5.66 3.97 0.39 1.68 0.41 -1.26 -4.96 118.70 113.27 3gxw s GLU 29 Ca 0.66 1.23 -0.26 0.00 -0.41 0.00 0.00 54.97 56.19 3gxw s GLU 29 Cb -0.08 -2.13 -0.11 0.00 -1.78 0.00 0.00 34.13 30.02 3gxw s GLU 29 CO 0.50 -0.26 1.09 0.54 -0.49 0.00 0.00 175.26 176.63 3gxw n ARG 30 N -0.91 1.55 0.00 1.61 1.74 -1.26 -1.46 116.66 117.93 3gxw n ARG 30 Ca 0.08 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3gxw n ARG 30 Cb 0.53 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3gxw n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gxw n GLY 31 N 1.08 2.36 3.75 -0.13 0.00 0.19 -4.82 105.19 107.62 3gxw n GLY 31 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3gxw n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gxw s ASP 32 N -2.10 4.68 0.31 1.61 -1.08 -0.53 -4.46 116.67 115.10 3gxw s ASP 32 Ca 0.00 2.10 -0.17 0.00 -0.52 0.00 0.00 52.55 53.96 3gxw s ASP 32 Cb 0.00 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.92 3gxw s ASP 32 CO 0.00 -1.92 0.70 0.72 0.52 0.00 0.00 175.17 175.18 3gxw s PHE 33 N -2.29 0.03 0.08 -5.34 -0.12 -1.26 -1.85 117.98 107.24 3gxw s PHE 33 Ca 0.69 -0.53 -0.09 0.00 -0.05 0.00 0.00 56.93 56.94 3gxw s PHE 33 Cb -0.23 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 3gxw s PHE 33 CO 0.44 -1.30 0.20 0.14 -0.05 0.00 0.00 175.22 174.66 3gxw s VAL 34 N -3.43 0.14 -0.06 -2.49 -7.23 -0.72 -5.00 120.40 101.61 3gxw s VAL 34 Ca 0.15 -1.12 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 3gxw s VAL 34 Cb -0.05 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3gxw s VAL 34 CO 0.09 -0.62 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.54 3gxw s ILE 35 N -3.70 3.52 0.24 -0.62 -1.09 0.34 -1.88 121.20 118.00 3gxw s ILE 35 Ca 0.04 -0.55 -0.06 0.00 -2.23 0.00 0.00 60.65 57.84 3gxw s ILE 35 Cb 0.04 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 3gxw s ILE 35 CO -0.10 0.59 0.33 0.00 -1.23 0.00 0.00 174.94 174.53 3gxw s ARG 36 N -0.80 1.44 0.70 2.79 1.70 -0.14 -0.37 118.95 124.27 3gxw s ARG 36 Ca 0.12 -1.48 -0.14 0.00 -0.47 0.00 0.00 55.73 53.77 3gxw s ARG 36 Cb -0.11 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3gxw s ARG 36 CO 0.01 -0.55 1.13 -0.65 -1.08 0.00 0.00 175.30 174.16 3gxw s GLN 37 N -3.97 2.49 -0.02 3.89 -1.52 -1.26 -0.79 119.66 118.48 3gxw s GLN 37 Ca 0.31 1.43 0.01 0.00 -1.95 0.00 0.00 55.36 55.15 3gxw s GLN 37 Cb 0.03 -1.91 0.01 0.00 -0.22 0.00 0.00 33.01 30.92 3gxw s GLN 37 CO 0.12 -1.50 -0.02 0.45 -0.25 0.00 0.00 175.29 174.09 3gxw s SER 38 N -2.62 0.42 0.00 5.90 0.15 -1.26 -4.44 113.70 111.85 3gxw s SER 38 Ca 0.67 -0.05 0.12 0.00 0.70 0.00 0.00 55.95 57.39 3gxw s SER 38 Cb -0.22 -0.14 0.70 0.00 -1.71 0.00 0.00 66.02 64.65 3gxw s SER 38 CO 0.45 -0.03 1.15 -1.54 1.20 0.00 0.00 173.24 174.48 3gxw n SER 39 N 3.55 0.00 0.28 5.45 3.41 -1.26 -2.97 113.62 122.07 3gxw n SER 39 Ca -0.20 -0.72 0.17 0.00 -0.26 0.00 0.00 58.87 57.86 3gxw n SER 39 Cb 0.55 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.24 3gxw n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gxw h ARG 40 N 0.00 0.00 0.00 4.33 2.47 -1.95 -3.48 114.38 115.75 3gxw h ARG 40 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3gxw h ARG 40 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3gxw h ARG 40 CO 0.00 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.98 3gxw n GLY 41 N -0.18 2.56 0.27 0.04 0.00 -1.16 -4.90 105.19 101.83 3gxw n GLY 41 Ca -0.00 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 44.85 3gxw n GLY 41 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gxw h ASP 42 N 0.00 0.00 -0.94 1.61 3.32 -1.93 -2.42 116.42 116.07 3gxw h ASP 42 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 3gxw h ASP 42 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 3gxw h ASP 42 CO 0.00 0.08 0.61 0.47 -1.72 0.00 0.00 179.24 178.68 3gxw n ASP 43 N -3.37 4.18 -4.21 6.45 8.00 -1.26 -4.95 116.55 121.40 3gxw n ASP 43 Ca -0.01 -3.65 -0.13 0.00 0.71 0.00 0.00 54.79 51.70 3gxw n ASP 43 Cb 0.25 -0.84 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 3gxw n ASP 43 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3gxw s HIS 44 N -3.37 1.11 0.08 1.24 3.76 -0.91 -0.66 115.29 116.54 3gxw s HIS 44 Ca 0.57 -0.76 -0.07 0.00 -0.15 0.00 0.00 55.06 54.64 3gxw s HIS 44 Cb 0.48 -0.59 -0.01 0.00 1.11 0.00 0.00 32.58 33.57 3gxw s HIS 44 CO 0.08 0.00 0.15 -0.51 -0.85 0.00 0.00 174.74 173.62 3gxw s LEU 45 N -2.90 1.59 0.13 0.89 1.43 -0.78 -4.21 118.68 114.82 3gxw s LEU 45 Ca 0.12 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 3gxw s LEU 45 Cb 0.01 0.89 -0.04 0.00 0.03 0.00 0.00 46.19 47.08 3gxw s LEU 45 CO -0.01 -0.68 -0.21 0.00 0.23 0.00 0.00 176.35 175.68 3gxw s ALA 46 N -3.67 1.99 -0.12 4.21 0.00 0.03 -0.48 121.76 123.73 3gxw s ALA 46 Ca 0.04 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3gxw s ALA 46 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3gxw s ALA 46 CO -0.10 0.35 -0.17 0.42 0.00 0.00 0.00 175.76 176.27 3gxw s ILE 47 N -1.44 2.71 -0.12 0.00 1.01 0.60 -0.97 121.20 123.00 3gxw s ILE 47 Ca 0.11 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3gxw s ILE 47 Cb -0.09 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.28 3gxw s ILE 47 CO 0.06 0.53 -0.23 -0.89 0.00 0.00 0.00 174.94 174.41 3gxw s THR 48 N 0.39 2.05 0.04 2.92 2.01 -0.79 0.57 115.64 122.83 3gxw s THR 48 Ca -0.13 -0.99 -0.00 0.00 0.31 0.00 0.00 61.69 60.88 3gxw s THR 48 Cb -0.16 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 3gxw s THR 48 CO 0.06 0.55 -0.04 -1.66 -0.69 0.00 0.00 174.62 172.85 3gxw s TRP 49 N 0.58 0.48 -0.28 4.92 1.48 -0.41 -1.75 118.94 123.96 3gxw s TRP 49 Ca -0.13 -0.85 -0.17 0.00 -1.06 0.00 0.00 56.10 53.89 3gxw s TRP 49 Cb -0.17 -0.34 -0.02 0.00 -1.16 0.00 0.00 33.47 31.78 3gxw s TRP 49 CO 0.03 -0.28 0.48 0.21 -4.06 0.00 0.00 176.95 173.34 3gxw s LYS 50 N -2.98 3.95 -0.02 3.25 2.20 -0.77 -1.02 119.74 124.35 3gxw s LYS 50 Ca -0.01 0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 3gxw s LYS 50 Cb 0.01 -3.69 -0.28 0.00 -1.51 0.00 0.00 37.83 32.36 3gxw s LYS 50 CO -0.06 -0.40 0.77 -0.07 -0.36 0.00 0.00 175.35 175.23 3gxw h LEU 51 N 8.81 0.43 0.00 5.43 4.07 -1.37 0.55 115.31 133.24 3gxw h LEU 51 Ca -0.29 -0.64 0.16 0.00 0.08 0.00 0.00 57.88 57.19 3gxw h LEU 51 Cb 1.14 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.71 3gxw h LEU 51 CO 0.71 1.54 0.52 -0.67 -1.08 0.00 0.00 178.44 179.45 3gxw n ASP 52 N -3.47 -1.19 -4.67 -0.43 2.03 -1.14 -4.72 116.55 102.96 3gxw n ASP 52 Ca -0.19 -1.54 -0.49 0.00 0.52 0.00 0.00 54.79 53.09 3gxw n ASP 52 Cb 1.05 1.91 -0.05 0.00 -0.72 0.00 0.00 41.12 43.32 3gxw n ASP 52 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3gxw n LYS 53 N -0.59 1.95 -1.47 -0.67 2.85 -1.26 -0.79 118.16 118.18 3gxw n LYS 53 Ca -0.00 0.71 -0.16 0.00 -1.05 0.00 0.00 58.31 57.81 3gxw n LYS 53 Cb 0.44 -2.49 -0.07 0.00 -0.65 0.00 0.00 35.03 32.26 3gxw n LYS 53 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3gxw n ASP 54 N 4.84 -5.47 -3.98 -5.58 2.03 -1.26 -4.96 116.55 102.18 3gxw n ASP 54 Ca 0.20 0.40 -0.30 0.00 0.52 0.00 0.00 54.79 55.62 3gxw n ASP 54 Cb 0.26 -4.40 -0.16 0.00 -0.72 0.00 0.00 41.12 36.10 3gxw n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gxw s LEU 55 N -3.69 1.84 0.15 -2.67 2.96 0.03 -5.10 118.68 112.20 3gxw s LEU 55 Ca 0.00 -0.65 0.06 0.00 -0.22 0.00 0.00 54.13 53.32 3gxw s LEU 55 Cb 0.00 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 3gxw s LEU 55 CO 0.00 -0.12 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.43 3gxw s PHE 56 N 1.50 1.41 0.04 5.38 0.08 -1.26 -0.90 117.98 124.23 3gxw s PHE 56 Ca 0.02 -0.65 0.05 0.00 0.12 0.00 0.00 56.93 56.47 3gxw s PHE 56 Cb -0.14 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.58 3gxw s PHE 56 CO -0.09 0.17 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.92 3gxw s GLN 57 N -3.38 0.93 -0.14 0.44 0.74 -0.19 -4.91 119.66 113.16 3gxw s GLN 57 Ca 0.16 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.85 3gxw s GLN 57 Cb -0.01 -0.93 0.01 0.00 1.10 0.00 0.00 33.01 33.18 3gxw s GLN 57 CO 0.03 0.23 -0.22 -1.01 -0.55 0.00 0.00 175.29 173.77 3gxw s HIS 58 N -0.83 2.66 -0.03 1.67 3.76 -1.26 -1.29 115.29 119.97 3gxw s HIS 58 Ca 0.01 -1.30 0.07 0.00 -0.15 0.00 0.00 55.06 53.69 3gxw s HIS 58 Cb -0.08 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 3gxw s HIS 58 CO 0.01 -0.58 -0.24 0.08 -0.85 0.00 0.00 174.74 173.16 3gxw s VAL 59 N 0.75 2.20 0.12 -0.90 1.01 0.19 -4.93 120.40 118.84 3gxw s VAL 59 Ca -0.09 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 3gxw s VAL 59 Cb -0.16 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 3gxw s VAL 59 CO -0.00 0.58 0.62 -0.62 0.00 0.00 0.00 175.10 175.67 3gxw s ASP 60 N -0.54 7.07 -0.19 3.32 2.15 -1.26 -0.29 116.67 126.93 3gxw s ASP 60 Ca 0.08 1.31 0.00 0.00 0.43 0.00 0.00 52.55 54.37 3gxw s ASP 60 Cb -0.11 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 3gxw s ASP 60 CO 0.00 0.21 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.41 3gxw s ILE 61 N -1.23 2.34 -0.22 4.11 1.01 0.37 -4.42 121.20 123.16 3gxw s ILE 61 Ca 0.33 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 3gxw s ILE 61 Cb -0.19 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3gxw s ILE 61 CO 0.20 0.50 0.07 -1.58 0.00 0.00 0.00 174.94 174.14 3gxw s GLN 62 N 1.33 3.80 0.63 2.79 2.00 -0.25 -1.87 119.66 128.09 3gxw s GLN 62 Ca 0.05 -0.42 -0.02 0.00 -2.00 0.00 0.00 55.36 52.98 3gxw s GLN 62 Cb -0.13 -3.30 0.06 0.00 0.80 0.00 0.00 33.01 30.44 3gxw s GLN 62 CO -0.11 0.00 0.89 -1.21 -0.50 0.00 0.00 175.29 174.36 3gxw s GLU 63 N 1.11 2.30 -0.21 1.67 2.02 0.17 -0.43 118.70 125.33 3gxw s GLU 63 Ca 0.04 -0.64 -0.00 0.00 0.02 0.00 0.00 54.97 54.39 3gxw s GLU 63 Cb -0.14 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3gxw s GLU 63 CO 0.03 -1.00 0.01 0.39 0.02 0.00 0.00 175.26 174.72 3gxw n GLU 65 N -2.61 -0.99 -0.85 1.61 -0.58 -1.26 -4.92 120.64 111.04 3gxw n GLU 65 Ca 0.09 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3gxw n GLU 65 Cb 0.60 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 3gxw n GLU 65 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3gxw n LYS 66 N -1.39 1.02 -3.87 3.49 4.81 -1.26 -2.22 118.16 118.74 3gxw n LYS 66 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.39 3gxw n LYS 66 Cb 0.09 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.15 3gxw n LYS 66 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3gxw s GLU 67 N -1.81 0.96 0.00 1.64 2.02 -1.26 -4.97 118.70 115.28 3gxw s GLU 67 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3gxw s GLU 67 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3gxw s GLU 67 CO 0.00 -0.45 0.00 0.27 0.02 0.00 0.00 175.26 175.10 3gxw n ASN 68 N -1.02 0.00 0.00 -0.19 0.23 -1.26 -4.31 115.26 108.70 3gxw n ASN 68 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3gxw n ASN 68 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 3gxw n ASN 68 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gxw n LEU 70 N 0.00 0.00 0.00 -4.53 4.77 -1.26 -5.17 117.00 110.81 3gxw n LEU 70 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3gxw n LEU 70 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gxw n LEU 70 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3gxw n ALA 71 N 0.00 0.00 -1.99 -1.18 0.00 -1.26 -4.46 120.51 111.61 3gxw n ALA 71 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3gxw n ALA 71 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 3gxw n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gxw s GLY 73 N 0.00 1.76 -0.08 0.00 0.00 -1.26 -4.49 107.32 103.25 3gxw s GLY 73 Ca 0.00 -1.77 0.10 0.00 0.00 0.00 0.00 44.72 43.05 3gxw s GLY 73 CO 0.00 -1.17 0.52 0.28 0.00 0.00 0.00 173.10 172.73 3gxw n LYS 74 N -2.90 0.66 -4.70 2.90 5.02 -0.94 -4.87 118.16 113.33 3gxw n LYS 74 Ca 0.16 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.39 3gxw n LYS 74 Cb 0.61 -1.74 -0.17 0.00 -0.02 0.00 0.00 35.03 33.71 3gxw n LYS 74 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gxw s VAL 75 N -2.58 1.87 -0.10 -0.18 1.01 -1.26 -4.36 120.40 114.80 3gxw s VAL 75 Ca -0.09 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3gxw s VAL 75 Cb 0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3gxw s VAL 75 CO 0.81 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 175.54 3gxw s LEU 76 N 0.78 2.81 -0.09 3.92 1.43 0.03 -4.45 118.68 123.10 3gxw s LEU 76 Ca -0.09 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3gxw s LEU 76 Cb -0.16 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3gxw s LEU 76 CO 0.00 0.24 -0.23 -0.69 0.23 0.00 0.00 176.35 175.90 3gxw s VAL 77 N -0.12 1.99 -0.07 -1.59 1.01 0.42 -0.41 120.40 121.64 3gxw s VAL 77 Ca -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3gxw s VAL 77 Cb -0.14 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.56 3gxw s VAL 77 CO 0.03 0.55 0.02 -0.69 0.00 0.00 0.00 175.10 175.01 3gxw s VAL 78 N 0.24 0.23 -1.61 2.92 1.01 0.05 -1.09 120.40 122.16 3gxw s VAL 78 Ca -0.15 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 3gxw s VAL 78 Cb -0.17 -0.43 0.12 0.00 0.00 0.00 0.00 36.38 35.90 3gxw s VAL 78 CO 0.07 0.22 0.87 -0.62 0.00 0.00 0.00 175.10 175.64 3gxw n GLU 79 N 5.19 -4.30 -0.00 2.72 -0.58 -1.26 0.33 120.64 122.74 3gxw n GLU 79 Ca -0.06 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3gxw n GLU 79 Cb 0.50 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.11 3gxw n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gxw n GLY 80 N -1.56 2.94 3.72 0.62 0.00 -1.26 -4.99 105.19 104.66 3gxw n GLY 80 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3gxw n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gxw s GLN 81 N -0.02 4.46 0.10 1.61 2.00 0.15 -5.06 119.66 122.90 3gxw s GLN 81 Ca 0.00 0.98 -0.09 0.00 -2.00 0.00 0.00 55.36 54.26 3gxw s GLN 81 Cb 0.00 -3.43 -0.06 0.00 0.80 0.00 0.00 33.01 30.32 3gxw s GLN 81 CO 0.00 0.10 0.40 0.50 -0.50 0.00 0.00 175.29 175.79 3gxw s ARG 82 N 0.63 3.73 0.10 1.67 3.52 -1.26 -0.77 118.95 126.57 3gxw s ARG 82 Ca 0.39 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 56.04 3gxw s ARG 82 Cb -0.19 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3gxw s ARG 82 CO 0.20 0.53 0.19 0.71 -0.81 0.00 0.00 175.30 176.12 3gxw s TYR 83 N -1.48 0.27 -0.15 5.12 2.02 0.45 -4.99 117.35 118.60 3gxw s TYR 83 Ca 0.35 -0.70 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3gxw s TYR 83 Cb -0.13 -0.11 0.00 0.00 -0.40 0.00 0.00 41.96 41.32 3gxw s TYR 83 CO 0.20 -0.57 0.34 -2.39 -1.57 0.00 0.00 175.55 171.55 3gxw n HIS 84 N -0.08 0.00 -3.74 2.71 1.44 -1.26 -0.79 115.22 113.50 3gxw n HIS 84 Ca -0.13 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.45 3gxw n HIS 84 Cb 0.62 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.63 3gxw n HIS 84 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3gxw s ASP 85 N -0.58 -0.42 0.36 4.39 2.15 -1.26 -4.73 116.67 116.58 3gxw s ASP 85 Ca 0.01 0.81 0.10 0.00 0.43 0.00 0.00 52.55 53.91 3gxw s ASP 85 Cb 0.01 0.82 0.87 0.00 -0.30 0.00 0.00 42.92 44.32 3gxw s ASP 85 CO 0.04 -0.14 1.84 0.25 -0.17 0.00 0.00 175.17 176.99 3gxw h LEU 86 N 5.53 0.63 -2.13 -1.34 5.85 -1.95 -1.31 115.31 120.58 3gxw h LEU 86 Ca -0.27 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3gxw h LEU 86 Cb 1.18 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3gxw h LEU 86 CO 0.25 0.27 -0.04 0.44 -0.34 0.00 0.00 178.44 179.02 3gxw h ASP 87 N 0.64 0.00 -0.13 1.25 3.32 -1.99 -1.25 116.42 118.25 3gxw h ASP 87 Ca 0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.48 3gxw h ASP 87 Cb 0.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3gxw h ASP 87 CO -0.24 0.04 -0.09 1.56 -1.72 0.00 0.00 179.24 178.79 3gxw h GLN 88 N 0.00 0.45 -0.24 3.56 4.20 -1.66 -0.28 115.11 121.14 3gxw h GLN 88 Ca -0.00 -0.11 -0.19 0.00 0.06 0.00 0.00 58.65 58.40 3gxw h GLN 88 Cb 0.10 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3gxw h GLN 88 CO 0.01 0.55 -0.61 0.82 -0.67 0.00 0.00 178.83 178.93 3gxw h ILE 89 N 0.43 1.28 -0.29 2.54 2.04 -1.34 -1.73 117.51 120.43 3gxw h ILE 89 Ca 0.08 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 3gxw h ILE 89 Cb 0.42 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3gxw h ILE 89 CO 0.02 0.58 0.17 0.40 0.00 0.00 0.00 178.15 179.32 3gxw h ILE 90 N 0.60 1.11 -0.45 -0.67 1.08 -1.04 -1.77 117.51 116.38 3gxw h ILE 90 Ca -0.01 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 3gxw h ILE 90 Cb 1.23 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.70 3gxw h ILE 90 CO 0.13 0.11 0.22 0.58 -0.69 0.00 0.00 178.15 178.50 3gxw h VAL 91 N 0.37 0.97 -0.38 1.67 2.07 -1.03 0.01 116.25 119.93 3gxw h VAL 91 Ca 0.10 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3gxw h VAL 91 Cb 0.03 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 3gxw h VAL 91 CO -0.02 0.08 0.08 -0.08 0.02 0.00 0.00 177.57 177.65 3gxw h GLU 92 N 0.45 0.20 0.00 1.57 4.57 -0.90 0.19 114.58 120.65 3gxw h GLU 92 Ca 0.19 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3gxw h GLU 92 Cb 0.10 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3gxw h GLU 92 CO -0.13 0.13 -0.29 1.88 -1.18 0.00 0.00 179.01 179.42 3gxw h TYR 93 N 0.21 0.00 -0.15 0.92 -1.99 -0.99 -2.20 116.97 112.77 3gxw h TYR 93 Ca 0.18 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.69 3gxw h TYR 93 Cb 0.20 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.94 3gxw h TYR 93 CO -0.19 0.29 -0.76 -0.07 -0.00 0.00 0.00 178.16 177.43 3gxw h LEU 94 N 0.00 0.88 -1.19 3.88 3.38 -0.16 -2.04 115.31 120.06 3gxw h LEU 94 Ca -0.00 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 3gxw h LEU 94 Cb 0.91 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3gxw h LEU 94 CO 0.04 1.37 0.14 1.56 0.09 0.00 0.00 178.44 181.64 3gxw h GLN 95 N 0.51 0.70 -0.40 1.13 1.08 -0.47 -0.71 115.11 116.96 3gxw h GLN 95 Ca -0.05 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 3gxw h GLN 95 Cb 1.38 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 3gxw h GLN 95 CO 0.15 0.62 -0.14 -0.97 -0.95 0.00 0.00 178.83 177.54 3gxw h ASN 96 N 0.69 0.81 -0.70 1.46 -1.24 -1.30 -0.27 115.58 115.03 3gxw h ASN 96 Ca 0.16 -0.38 -0.02 0.00 0.71 0.00 0.00 56.30 56.77 3gxw h ASN 96 Cb 0.22 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 3gxw h ASN 96 CO -0.01 1.01 0.36 0.50 -1.29 0.00 0.00 177.43 178.00 3gxw h LYS 97 N 0.61 1.00 -0.44 6.67 3.64 -0.83 -0.86 116.57 126.35 3gxw h LYS 97 Ca 0.10 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3gxw h LYS 97 Cb 0.68 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3gxw h LYS 97 CO 0.05 0.77 0.04 0.82 -2.27 0.00 0.00 179.45 178.86 3gxw h ILE 98 N 0.97 1.25 -0.78 2.00 2.04 -0.99 -2.18 117.51 119.83 3gxw h ILE 98 Ca 0.24 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3gxw h ILE 98 Cb 0.09 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3gxw h ILE 98 CO -0.03 0.34 0.50 -0.09 0.00 0.00 0.00 178.15 178.86 3gxw h ARG 99 N 0.61 0.97 -0.28 2.37 2.43 -0.69 -1.77 114.38 118.02 3gxw h ARG 99 Ca 0.13 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3gxw h ARG 99 Cb 0.44 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3gxw h ARG 99 CO 0.02 0.64 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.96 3gxw h LEU 100 N 1.00 0.43 -1.65 3.80 3.38 -0.96 0.10 115.31 121.41 3gxw h LEU 100 Ca 0.30 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3gxw h LEU 100 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3gxw h LEU 100 CO -0.09 0.57 -0.18 0.25 0.09 0.00 0.00 178.44 179.07 3gxw h LEU 101 N 0.43 0.00 0.00 1.67 5.85 -0.68 -3.36 115.31 119.22 3gxw h LEU 101 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gxw h LEU 101 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3gxw h LEU 101 CO 0.02 0.18 0.00 0.59 -0.34 0.00 0.00 178.44 178.89 3gxw n ASN 102 N -4.31 0.00 0.00 1.25 4.13 -0.77 -5.12 115.26 110.44 3gxw n ASN 102 Ca -0.02 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.28 3gxw n ASN 102 Cb 0.24 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3gxw n ASN 102 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92