#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dga n MET 2 N 0.00 0.22 -1.51 2.12 0.00 -1.26 -4.87 117.12 111.83 3dga n MET 2 Ca 0.00 -0.87 -0.48 0.00 0.00 0.00 0.00 57.70 56.34 3dga n MET 2 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 33.22 30.25 3dga n MET 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3dga n GLU 3 N 7.38 0.69 -3.15 0.03 4.71 -1.26 -4.93 120.64 124.11 3dga n GLU 3 Ca 0.41 0.24 -0.39 0.00 -0.01 0.00 0.00 57.16 57.41 3dga n GLU 3 Cb 0.41 -1.52 -0.06 0.00 -1.01 0.00 0.00 31.44 29.26 3dga n GLU 3 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3dga s GLN 4 N -0.92 4.35 0.23 3.49 -0.21 -1.26 -4.95 119.66 120.39 3dga s GLN 4 Ca 0.67 0.91 -0.07 0.00 0.02 0.00 0.00 55.36 56.89 3dga s GLN 4 Cb -0.87 -3.24 0.39 0.00 1.00 0.00 0.00 33.01 30.28 3dga s GLN 4 CO 0.56 0.61 1.69 0.28 -2.12 0.00 0.00 175.29 176.32 3dga h VAL 5 N 3.44 0.56 0.00 1.09 2.07 -1.92 0.19 116.25 121.68 3dga h VAL 5 Ca -0.49 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3dga h VAL 5 Cb 1.21 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3dga h VAL 5 CO 0.64 0.05 -0.06 0.00 0.02 0.00 0.00 177.57 178.22 3dga h ASP 7 N 0.00 0.34 -0.43 0.00 3.45 -1.05 -0.51 116.42 118.22 3dga h ASP 7 Ca -0.00 -0.91 -0.03 0.00 0.43 0.00 0.00 57.03 56.52 3dga h ASP 7 Cb 0.13 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3dga h ASP 7 CO 0.01 1.22 0.14 0.58 -1.57 0.00 0.00 179.24 179.62 3dga h VAL 8 N -0.49 1.21 -0.58 -1.35 2.07 -0.77 -3.00 116.25 113.35 3dga h VAL 8 Ca -0.08 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3dga h VAL 8 Cb 1.36 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3dga h VAL 8 CO 0.10 0.25 0.00 0.49 0.02 0.00 0.00 177.57 178.43 3dga n PHE 9 N -4.59 1.56 -3.22 1.57 3.72 0.04 -4.59 117.46 111.95 3dga n PHE 9 Ca 0.00 -0.59 -0.22 0.00 -0.05 0.00 0.00 57.45 56.60 3dga n PHE 9 Cb 0.17 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.41 3dga n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3dga n ASP 10 N 0.88 -3.62 -4.35 4.37 8.00 -0.31 -4.27 116.55 117.25 3dga n ASP 10 Ca 0.24 -0.51 -0.37 0.00 0.71 0.00 0.00 54.79 54.87 3dga n ASP 10 Cb 0.93 -1.15 -0.13 0.00 -0.02 0.00 0.00 41.12 40.76 3dga n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dga s ILE 11 N -2.12 3.99 0.46 0.53 1.01 -0.56 -0.83 121.20 123.68 3dga s ILE 11 Ca 0.10 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.11 3dga s ILE 11 Cb -0.01 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3dga s ILE 11 CO 0.64 0.08 0.09 -0.31 0.00 0.00 0.00 174.94 175.44 3dga s TYR 12 N 1.50 2.24 0.10 3.97 2.02 0.86 -0.56 117.35 127.49 3dga s TYR 12 Ca 0.03 -0.76 0.07 0.00 -0.37 0.00 0.00 57.07 56.03 3dga s TYR 12 Cb -0.17 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 3dga s TYR 12 CO 0.03 0.22 -0.16 0.00 -1.57 0.00 0.00 175.55 174.06 3dga s ALA 13 N -2.75 1.52 -0.11 3.71 0.00 -0.69 -0.40 121.76 123.05 3dga s ALA 13 Ca 0.27 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3dga s ALA 13 Cb 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.07 3dga s ALA 13 CO 0.14 0.21 0.26 -1.50 0.00 0.00 0.00 175.76 174.88 3dga s ILE 14 N -1.57 -0.03 0.37 0.00 2.07 -1.02 -0.47 121.20 120.55 3dga s ILE 14 Ca 0.05 0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.33 3dga s ILE 14 Cb -0.08 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 42.13 3dga s ILE 14 CO 0.03 0.05 0.60 0.00 -1.91 0.00 0.00 174.94 173.71 3dga s ALA 16 N -2.72 0.08 -0.04 0.00 0.00 -1.26 -0.65 121.76 117.17 3dga s ALA 16 Ca 0.25 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3dga s ALA 16 Cb -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3dga s ALA 16 CO 0.18 -0.80 -0.18 0.00 0.00 0.00 0.00 175.76 174.96 3dga s LYS 19 N -4.35 4.41 0.38 0.00 1.02 -0.58 -0.90 119.74 119.72 3dga s LYS 19 Ca 0.36 0.90 -0.24 0.00 0.02 0.00 0.00 55.97 57.01 3dga s LYS 19 Cb -0.03 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.84 3dga s LYS 19 CO 0.22 0.34 0.99 0.08 -0.92 0.00 0.00 175.35 176.06 3dga s VAL 20 N -0.16 4.03 -1.27 3.17 1.01 -1.25 -2.84 120.40 123.09 3dga s VAL 20 Ca 0.35 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.68 3dga s VAL 20 Cb -0.19 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3dga s VAL 20 CO 0.20 -0.01 1.96 -0.62 0.00 0.00 0.00 175.10 176.63 3dga n GLU 21 N 0.04 2.64 -2.78 2.72 1.02 -1.25 -4.86 120.64 118.16 3dga n GLU 21 Ca 0.04 -2.75 -0.43 0.00 -0.02 0.00 0.00 57.16 54.01 3dga n GLU 21 Cb 0.51 -3.38 -0.02 0.00 -0.02 0.00 0.00 31.44 28.52 3dga n GLU 21 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3dga s SER 22 N 4.29 6.67 -0.36 1.62 0.15 -1.26 -4.94 113.70 119.86 3dga s SER 22 Ca 0.54 -2.02 -0.42 0.00 0.70 0.00 0.00 55.95 54.75 3dga s SER 22 Cb 0.08 -2.47 -0.17 0.00 -1.71 0.00 0.00 66.02 61.75 3dga s SER 22 CO 0.04 -1.17 1.73 0.29 1.20 0.00 0.00 173.24 175.33 3dga n LYS 23 N 7.33 0.76 -1.07 5.44 5.02 -1.26 -2.29 118.16 132.08 3dga n LYS 23 Ca 0.31 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.85 3dga n LYS 23 Cb 0.49 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 3dga n LYS 23 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dga n ASN 24 N 5.19 -4.57 0.04 4.39 5.15 -1.26 -4.74 115.26 119.45 3dga n ASN 24 Ca 0.29 0.06 0.11 0.00 -0.60 0.00 0.00 54.58 54.45 3dga n ASN 24 Cb 0.07 -2.28 0.02 0.00 -0.53 0.00 0.00 39.78 37.06 3dga n ASN 24 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dga n GLU 25 N -1.21 0.38 -0.51 1.20 1.02 -0.97 -4.46 120.64 116.09 3dga n GLU 25 Ca -0.02 0.02 0.44 0.00 -0.02 0.00 0.00 57.16 57.57 3dga n GLU 25 Cb 0.29 -1.64 0.78 0.00 -0.02 0.00 0.00 31.44 30.85 3dga n GLU 25 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3dga h GLY 26 N 4.38 0.06 -1.46 0.62 0.00 -1.85 -3.40 103.07 101.42 3dga h GLY 26 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 47.33 46.87 3dga h GLY 26 CO 0.00 -0.01 0.11 0.54 0.00 0.00 0.00 176.54 177.17 3dga s LYS 27 N -4.92 2.06 1.04 4.80 1.02 -1.26 -4.99 119.74 117.49 3dga s LYS 27 Ca -0.05 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 54.96 3dga s LYS 27 Cb 0.25 -2.32 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3dga s LYS 27 CO 0.85 -1.19 -1.05 1.63 -0.92 0.00 0.00 175.35 174.68 3dga n LYS 28 N -2.74 -0.54 -1.15 1.68 5.02 -1.26 -3.56 118.16 115.61 3dga n LYS 28 Ca 0.11 -0.15 -0.05 0.00 -2.02 0.00 0.00 58.31 56.19 3dga n LYS 28 Cb 0.60 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 3dga n LYS 28 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dga n ASN 29 N 1.79 -3.89 -4.79 4.39 4.13 -1.26 -4.99 115.26 110.64 3dga n ASN 29 Ca -0.01 0.13 -0.39 0.00 1.68 0.00 0.00 54.58 55.99 3dga n ASN 29 Cb 0.71 -1.84 -0.06 0.00 -1.54 0.00 0.00 39.78 37.06 3dga n ASN 29 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3dga s GLU 30 N -2.06 4.27 0.02 3.52 2.12 -1.23 -5.07 118.70 120.27 3dga s GLU 30 Ca 0.00 0.77 -0.13 0.00 0.36 0.00 0.00 54.97 55.96 3dga s GLU 30 Cb 0.00 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 3dga s GLU 30 CO 0.00 0.53 0.40 0.08 -0.54 0.00 0.00 175.26 175.72 3dga s VAL 31 N -0.74 5.06 0.15 3.70 1.01 -1.26 -5.09 120.40 123.23 3dga s VAL 31 Ca 0.30 0.71 0.11 0.00 0.00 0.00 0.00 61.98 63.10 3dga s VAL 31 Cb -0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3dga s VAL 31 CO 0.19 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 175.17 3dga s PHE 32 N -1.17 2.27 0.31 5.22 0.08 -1.26 -5.04 117.98 118.39 3dga s PHE 32 Ca 0.26 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.75 3dga s PHE 32 Cb -0.16 -1.19 0.05 0.00 -0.57 0.00 0.00 43.02 41.16 3dga s PHE 32 CO 0.14 0.39 0.82 0.54 -0.10 0.00 0.00 175.22 177.02 3dga s ASN 33 N -2.30 -0.07 0.57 1.36 2.20 -1.26 -5.02 114.94 110.43 3dga s ASN 33 Ca 0.16 -0.89 0.27 0.00 -0.94 0.00 0.00 52.86 51.46 3dga s ASN 33 Cb -0.09 0.75 1.55 0.00 -2.00 0.00 0.00 41.25 41.46 3dga s ASN 33 CO 0.07 -1.45 2.05 0.78 -2.94 0.00 0.00 177.10 175.61 3dga h ASN 34 N 2.00 0.00 0.00 3.54 2.35 -2.00 0.28 115.58 121.75 3dga h ASN 34 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3dga h ASN 34 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3dga h ASN 34 CO 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.13 3dga n TYR 35 N -3.93 0.00 0.19 1.19 9.36 -1.26 -2.96 117.16 119.75 3dga n TYR 35 Ca 0.04 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.29 3dga n TYR 35 Cb 0.43 0.00 0.39 0.00 -0.63 0.00 0.00 39.34 39.53 3dga n TYR 35 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 3dga h THR 36 N 0.00 1.21 -3.19 2.97 2.02 -0.84 -3.35 112.91 111.73 3dga h THR 36 Ca 0.00 -1.16 -0.75 0.00 0.77 0.00 0.00 66.41 65.28 3dga h THR 36 Cb 0.00 1.63 -0.26 0.00 -1.74 0.00 0.00 68.15 67.78 3dga h THR 36 CO 0.00 0.33 -0.29 -0.36 0.37 0.00 0.00 175.52 175.56 3dga s PHE 37 N -4.24 3.31 0.00 3.16 0.08 -1.15 -3.92 117.98 115.22 3dga s PHE 37 Ca -0.03 -1.48 0.00 0.00 0.12 0.00 0.00 56.93 55.54 3dga s PHE 37 Cb 0.14 -3.63 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 3dga s PHE 37 CO 0.71 -0.99 0.00 2.89 -0.10 0.00 0.00 175.22 177.73 3dga n ARG 38 N 5.12 0.00 -2.10 0.44 1.85 -0.71 -4.82 116.66 116.44 3dga n ARG 38 Ca -0.12 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.31 3dga n ARG 38 Cb 0.41 -0.01 -0.03 0.00 -1.05 0.00 0.00 32.46 31.78 3dga n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3dga s GLY 39 N 0.00 1.17 -0.27 2.89 0.00 -0.08 -1.14 107.32 109.89 3dga s GLY 39 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 3dga s GLY 39 CO 0.00 3.04 -0.34 1.04 0.00 0.00 0.00 173.10 176.84 3dga n LEU 40 N 8.67 2.02 -3.96 0.66 4.77 -0.83 -1.11 117.00 127.22 3dga n LEU 40 Ca 0.19 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 3dga n LEU 40 Cb 0.45 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 3dga n LEU 40 CO 0.65 0.60 0.07 -0.83 -1.33 0.00 0.00 177.39 176.56 3dga s GLY 41 N -5.60 0.50 -0.18 -0.72 0.00 -1.13 -4.30 107.32 95.90 3dga s GLY 41 Ca -0.37 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 3dga s GLY 41 CO 0.49 -0.73 0.42 0.21 0.00 0.00 0.00 173.10 173.49 3dga s ASN 42 N -2.99 -0.48 -1.29 1.64 2.47 0.96 -0.94 114.94 114.31 3dga s ASN 42 Ca 0.20 0.92 -0.00 0.00 0.42 0.00 0.00 52.86 54.40 3dga s ASN 42 Cb 0.02 0.88 0.00 0.00 -1.45 0.00 0.00 41.25 40.70 3dga s ASN 42 CO 0.04 -0.20 0.75 0.29 -3.72 0.00 0.00 177.10 174.26 3dga n LYS 43 N 4.46 -5.22 -1.35 0.43 5.02 -1.26 -1.81 118.16 118.43 3dga n LYS 43 Ca -0.21 0.66 -0.12 0.00 -2.02 0.00 0.00 58.31 56.62 3dga n LYS 43 Cb 0.54 -5.30 -0.05 0.00 -0.02 0.00 0.00 35.03 30.20 3dga n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dga n GLY 44 N -1.50 1.14 1.71 0.72 0.00 -1.26 -4.91 105.19 101.08 3dga n GLY 44 Ca -0.30 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3dga n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dga n VAL 45 N -2.23 0.00 -2.62 1.61 0.24 -0.75 -4.64 118.33 109.95 3dga n VAL 45 Ca -0.12 -1.14 -0.40 0.00 -2.04 0.00 0.00 64.34 60.65 3dga n VAL 45 Cb 0.60 0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 3dga n VAL 45 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dga s LEU 46 N 0.00 4.56 0.02 1.34 1.43 -1.26 -0.02 118.68 124.74 3dga s LEU 46 Ca 0.19 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 3dga s LEU 46 Cb 0.00 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3dga s LEU 46 CO 0.13 -0.03 1.16 -0.65 0.23 0.00 0.00 176.35 177.20 3dga h PRO 47 N 3.84 -0.31 -7.39 1.29 0.11 -1.83 -3.40 132.00 124.31 3dga h PRO 47 Ca -0.46 0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.21 3dga h PRO 47 Cb 1.21 0.07 0.15 0.00 0.11 0.00 0.00 31.00 32.53 3dga h PRO 47 CO 0.67 -0.21 0.24 1.67 -0.21 0.00 0.00 178.00 180.16 3dga s TRP 48 N -3.83 2.29 0.00 0.65 -2.14 -1.26 -4.82 118.94 109.82 3dga s TRP 48 Ca -0.05 1.03 0.00 0.00 2.66 0.00 0.00 56.10 59.73 3dga s TRP 48 Cb 0.01 -3.26 0.00 0.00 -3.10 0.00 0.00 33.47 27.12 3dga s TRP 48 CO 0.17 -2.60 0.00 1.63 -2.66 0.00 0.00 176.95 173.49 3dga n LYS 49 N -3.98 0.00 -4.08 3.25 4.76 -1.26 -4.98 118.16 111.87 3dga n LYS 49 Ca 0.06 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 3dga n LYS 49 Cb 0.57 -0.14 -0.12 0.00 -1.84 0.00 0.00 35.03 33.51 3dga n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dga s ASN 51 N -1.48 4.16 0.15 0.00 3.84 -1.26 -4.91 114.94 115.44 3dga s ASN 51 Ca -0.09 -1.58 -0.29 0.00 0.21 0.00 0.00 52.86 51.11 3dga s ASN 51 Cb -0.09 -1.23 -0.04 0.00 -0.55 0.00 0.00 41.25 39.34 3dga s ASN 51 CO 0.00 -0.32 1.56 0.28 -2.79 0.00 0.00 177.10 175.83 3dga h SER 52 N 7.89 -1.61 -0.57 -4.21 0.02 -1.99 0.57 113.55 113.66 3dga h SER 52 Ca -0.13 0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3dga h SER 52 Cb 1.04 0.68 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 3dga h SER 52 CO 0.46 -0.38 0.33 0.25 -1.14 0.00 0.00 176.83 176.35 3dga h LEU 53 N -0.35 0.52 -1.71 5.07 5.85 -1.95 0.11 115.31 122.85 3dga h LEU 53 Ca 0.11 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3dga h LEU 53 Cb 0.59 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3dga h LEU 53 CO -0.59 0.36 0.26 -0.78 -0.34 0.00 0.00 178.44 177.35 3dga h ASP 54 N 0.65 0.32 -0.09 1.25 3.58 -1.72 -0.52 116.42 119.89 3dga h ASP 54 Ca 0.24 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.60 3dga h ASP 54 Cb 0.06 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.04 3dga h ASP 54 CO -0.12 0.22 -0.28 -0.03 -2.88 0.00 0.00 179.24 176.15 3dga h MET 55 N 0.37 0.36 -0.83 0.28 4.05 0.51 -0.12 114.93 119.55 3dga h MET 55 Ca 0.16 -0.26 0.10 0.00 -0.28 0.00 0.00 59.70 59.43 3dga h MET 55 Cb 0.17 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 30.94 3dga h MET 55 CO -0.04 0.88 0.47 -0.22 0.23 0.00 0.00 176.91 178.23 3dga h LYS 56 N -0.10 0.74 0.01 0.39 3.64 -0.12 0.35 116.57 121.49 3dga h LYS 56 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3dga h LYS 56 Cb 0.90 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3dga h LYS 56 CO 0.06 0.49 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.81 3dga h TYR 57 N 0.76 -0.01 -0.10 1.91 3.20 -1.00 -0.78 116.97 120.95 3dga h TYR 57 Ca 0.41 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.32 3dga h TYR 57 Cb 0.41 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3dga h TYR 57 CO -0.07 0.19 -0.22 0.35 -1.64 0.00 0.00 178.16 176.78 3dga h PHE 58 N -0.22 -0.58 -0.64 -3.82 3.57 0.10 -0.52 116.94 114.84 3dga h PHE 58 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3dga h PHE 58 Cb 0.21 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3dga h PHE 58 CO -0.01 -0.30 0.33 0.00 -2.23 0.00 0.00 178.31 176.10 3dga h ALA 60 N 1.15 -0.02 0.30 0.00 0.00 -0.67 -1.94 119.26 118.08 3dga h ALA 60 Ca 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dga h ALA 60 Cb 0.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dga h ALA 60 CO -0.03 -0.55 -0.14 0.28 0.00 0.00 0.00 179.25 178.81 3dga h VAL 61 N -0.10 0.73 0.00 0.00 2.07 -0.98 -2.60 116.25 115.36 3dga h VAL 61 Ca 0.06 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3dga h VAL 61 Cb 0.19 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3dga h VAL 61 CO -0.15 0.10 0.00 0.35 0.02 0.00 0.00 177.57 177.90 3dga n THR 62 N -5.14 0.65 0.03 2.57 -2.24 -0.60 -3.14 114.28 106.41 3dga n THR 62 Ca -0.10 0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 3dga n THR 62 Cb 0.25 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 3dga n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dga n THR 63 N -1.33 0.00 -1.97 4.28 -2.24 -0.73 -4.58 114.28 107.70 3dga n THR 63 Ca 0.07 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3dga n THR 63 Cb 0.13 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 3dga n THR 63 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3dga s TYR 64 N -2.18 3.07 0.07 4.78 5.04 -0.98 -4.75 117.35 122.39 3dga s TYR 64 Ca -0.01 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.36 3dga s TYR 64 Cb 0.03 -3.89 -0.03 0.00 0.35 0.00 0.00 41.96 38.42 3dga s TYR 64 CO 0.19 -3.20 -0.07 0.08 -1.34 0.00 0.00 175.55 171.22 3dga s VAL 65 N 0.92 0.56 -0.39 3.14 1.01 -1.26 -4.87 120.40 119.51 3dga s VAL 65 Ca 0.68 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3dga s VAL 65 Cb -0.43 -1.11 0.12 0.00 0.00 0.00 0.00 36.38 34.96 3dga s VAL 65 CO 0.33 -0.64 0.16 0.21 0.00 0.00 0.00 175.10 175.16 3dga s ASN 66 N -2.29 4.09 0.27 3.32 3.84 -1.26 -5.01 114.94 117.91 3dga s ASN 66 Ca 0.00 -2.28 -0.01 0.00 0.21 0.00 0.00 52.86 50.79 3dga s ASN 66 Cb -0.02 -1.19 0.53 0.00 -0.55 0.00 0.00 41.25 40.02 3dga s ASN 66 CO -0.03 -0.33 1.78 -0.33 -2.79 0.00 0.00 177.10 175.40 3dga h GLU 67 N 7.30 0.67 0.00 0.43 4.39 -1.99 -1.00 114.58 124.38 3dga h GLU 67 Ca -0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3dga h GLU 67 Cb 0.97 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3dga h GLU 67 CO 0.51 0.45 0.00 -1.13 -1.16 0.00 0.00 179.01 177.68 3dga n SER 68 N -4.82 0.01 -0.27 1.42 3.41 -1.26 -1.85 113.62 110.26 3dga n SER 68 Ca 0.17 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.38 3dga n SER 68 Cb 0.42 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 3dga n SER 68 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dga n LYS 69 N -1.51 1.17 0.40 4.33 5.02 -0.38 -4.64 118.16 122.56 3dga n LYS 69 Ca 0.01 -0.56 -0.17 0.00 -2.02 0.00 0.00 58.31 55.56 3dga n LYS 69 Cb 0.04 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 3dga n LYS 69 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3dga h TYR 70 N 1.33 -0.96 -0.83 2.13 3.20 -1.42 -2.76 116.97 117.66 3dga h TYR 70 Ca 0.00 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.10 3dga h TYR 70 Cb 0.58 0.32 -0.15 0.00 1.54 0.00 0.00 36.73 39.02 3dga h TYR 70 CO 0.00 -0.58 0.12 0.39 -1.64 0.00 0.00 178.16 176.44 3dga n GLU 71 N -5.48 -0.06 -0.17 1.82 4.71 -1.26 0.30 120.64 120.49 3dga n GLU 71 Ca -0.14 1.21 -0.08 0.00 -0.01 0.00 0.00 57.16 58.15 3dga n GLU 71 Cb 0.42 -1.99 0.01 0.00 -1.01 0.00 0.00 31.44 28.88 3dga n GLU 71 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3dga h LYS 72 N 0.00 0.74 -0.45 3.49 3.64 -1.84 -1.25 116.57 120.91 3dga h LYS 72 Ca 0.55 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.69 3dga h LYS 72 Cb 1.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3dga h LYS 72 CO -0.74 0.66 -0.13 -0.07 -2.27 0.00 0.00 179.45 176.89 3dga h LEU 73 N 0.67 0.89 0.33 5.20 3.38 0.49 -2.14 115.31 124.13 3dga h LEU 73 Ca 0.17 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3dga h LEU 73 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dga h LEU 73 CO -0.01 1.06 -0.21 0.50 0.09 0.00 0.00 178.44 179.86 3dga h LYS 74 N 0.71 -0.51 -0.79 1.13 3.64 0.11 -1.56 116.57 119.30 3dga h LYS 74 Ca 0.11 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.67 3dga h LYS 74 Cb 0.68 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.52 3dga h LYS 74 CO 0.05 -0.34 0.35 -0.92 -2.27 0.00 0.00 179.45 176.32 3dga h TYR 75 N -0.53 0.61 0.83 1.91 3.20 -1.19 0.54 116.97 122.34 3dga h TYR 75 Ca -0.03 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3dga h TYR 75 Cb 0.44 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.57 3dga h TYR 75 CO -0.10 0.10 -0.41 -0.22 -1.64 0.00 0.00 178.16 175.89 3dga h LYS 76 N 0.50 -1.09 -0.43 1.82 3.64 -0.91 -0.77 116.57 119.33 3dga h LYS 76 Ca 0.44 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 3dga h LYS 76 Cb 0.66 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 3dga h LYS 76 CO -0.40 -0.72 0.20 0.00 -2.27 0.00 0.00 179.45 176.26 3dga h ARG 77 N -1.13 0.60 0.51 1.90 3.08 -1.00 -1.15 114.38 117.19 3dga h ARG 77 Ca -0.11 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3dga h ARG 77 Cb 0.87 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.80 3dga h ARG 77 CO 0.18 0.48 -0.25 0.00 -1.07 0.00 0.00 179.97 179.31 3dga h LYS 79 N -1.04 0.48 -0.18 0.00 3.64 -1.02 0.29 116.57 118.74 3dga h LYS 79 Ca -0.07 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3dga h LYS 79 Cb 0.61 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3dga h LYS 79 CO 0.12 0.32 0.09 -0.92 -2.27 0.00 0.00 179.45 176.79 3dga h TYR 80 N 0.49 0.18 -0.26 1.91 3.20 -1.11 -2.36 116.97 119.02 3dga h TYR 80 Ca 0.53 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.41 3dga h TYR 80 Cb 0.94 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.15 3dga h TYR 80 CO -0.11 0.10 0.00 1.28 -1.64 0.00 0.00 178.16 177.79 3dga n LEU 81 N -5.00 1.53 -3.02 2.82 4.77 0.07 -4.93 117.00 113.23 3dga n LEU 81 Ca -0.03 -0.77 -0.11 0.00 -0.03 0.00 0.00 56.01 55.07 3dga n LEU 81 Cb 0.05 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 3dga n LEU 81 CO 0.32 0.36 0.09 0.59 -1.33 0.00 0.00 177.39 177.42 3dga n ASN 82 N 0.27 -6.37 0.00 -1.43 3.02 0.81 -5.03 115.26 106.53 3dga n ASN 82 Ca 0.09 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3dga n ASN 82 Cb 0.26 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 3dga n ASN 82 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dga n LYS 83 N -2.75 1.08 0.00 3.52 5.02 -0.24 -4.99 118.16 119.80 3dga n LYS 83 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3dga n LYS 83 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 3dga n LYS 83 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3dga n GLU 84 N 0.00 0.00 -1.21 1.97 0.00 -1.26 -4.40 120.64 115.73 3dga n GLU 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.15 3dga n GLU 84 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 31.44 31.16 3dga n GLU 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3dga n LYS 96 N 0.00 1.68 -1.50 3.44 5.02 -1.26 -4.99 118.16 120.55 3dga n LYS 96 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3dga n LYS 96 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 3dga n LYS 96 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dga n LYS 97 N 0.00 -0.00 -1.67 1.97 3.00 -1.26 -4.97 118.16 115.22 3dga n LYS 97 Ca 0.00 0.50 -0.45 0.00 -0.00 0.00 0.00 58.31 58.36 3dga n LYS 97 Cb 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 35.03 33.76 3dga n LYS 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3dga n LEU 98 N -0.23 3.13 -4.31 3.14 7.94 -1.26 -4.99 117.00 120.42 3dga n LEU 98 Ca 0.00 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 55.87 3dga n LEU 98 Cb 0.00 -1.43 -0.10 0.00 0.53 0.00 0.00 43.42 42.42 3dga n LEU 98 CO 0.00 -0.45 -0.39 -1.10 -1.11 0.00 0.00 177.39 174.34 3dga s GLN 99 N -0.27 1.25 0.57 1.96 -0.21 -1.26 -4.89 119.66 116.82 3dga s GLN 99 Ca 0.69 -1.58 0.01 0.00 0.02 0.00 0.00 55.36 54.50 3dga s GLN 99 Cb -0.65 -0.81 0.04 0.00 1.00 0.00 0.00 33.01 32.59 3dga s GLN 99 CO 0.48 0.06 0.80 -0.80 -2.12 0.00 0.00 175.29 173.71 3dga s ASN 100 N -3.27 5.21 -0.03 5.90 0.01 -1.26 -1.31 114.94 120.18 3dga s ASN 100 Ca 0.22 0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.47 3dga s ASN 100 Cb 0.03 -0.87 -0.02 0.00 0.41 0.00 0.00 41.25 40.80 3dga s ASN 100 CO 0.05 -1.21 -0.26 -0.69 -1.51 0.00 0.00 177.10 173.49 3dga s VAL 101 N -2.82 2.05 -0.09 1.60 1.01 0.02 -1.65 120.40 120.52 3dga s VAL 101 Ca 0.58 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3dga s VAL 101 Cb -0.10 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3dga s VAL 101 CO 0.39 0.58 -0.22 0.68 0.00 0.00 0.00 175.10 176.52 3dga s VAL 102 N -0.49 1.91 -0.15 2.92 -7.23 -0.35 0.28 120.40 117.29 3dga s VAL 102 Ca 0.06 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3dga s VAL 102 Cb -0.11 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3dga s VAL 102 CO 0.00 0.53 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.49 3dga s VAL 103 N 0.28 2.81 0.06 1.32 1.01 0.07 -0.50 120.40 125.46 3dga s VAL 103 Ca -0.15 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.10 3dga s VAL 103 Cb -0.17 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3dga s VAL 103 CO 0.07 0.51 -0.05 0.00 0.00 0.00 0.00 175.10 175.64 3dga s MET 104 N 0.69 0.65 0.70 2.72 0.23 0.17 -1.81 119.30 122.64 3dga s MET 104 Ca -0.07 -1.13 -0.11 0.00 -1.03 0.00 0.00 55.69 53.36 3dga s MET 104 Cb -0.16 -0.03 0.01 0.00 -1.53 0.00 0.00 34.83 33.13 3dga s MET 104 CO 0.02 -0.05 1.06 0.20 -2.03 0.00 0.00 175.02 174.22 3dga s GLY 105 N -2.61 1.66 0.15 3.16 0.00 0.40 -0.43 107.32 109.66 3dga s GLY 105 Ca 0.04 0.06 -0.16 0.00 0.00 0.00 0.00 44.72 44.65 3dga s GLY 105 CO -0.06 0.37 1.78 -0.09 0.00 0.00 0.00 173.10 175.10 3dga h ARG 106 N -0.72 0.57 -0.55 2.90 2.43 -1.67 -1.42 114.38 115.92 3dga h ARG 106 Ca -0.44 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.76 3dga h ARG 106 Cb 1.21 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 3dga h ARG 106 CO 0.57 0.43 0.20 1.15 -1.51 0.00 0.00 179.97 180.82 3dga h THR 107 N 0.56 0.80 -0.77 0.20 2.02 -1.93 -0.79 112.91 113.00 3dga h THR 107 Ca 0.15 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.22 3dga h THR 107 Cb 0.01 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 3dga h THR 107 CO -0.03 0.07 0.50 0.28 0.37 0.00 0.00 175.52 176.71 3dga h SER 108 N 0.39 0.85 -0.42 4.18 0.02 -1.77 -1.82 113.55 114.97 3dga h SER 108 Ca 0.27 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3dga h SER 108 Cb 0.31 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3dga h SER 108 CO -0.27 0.60 0.17 -0.25 -1.14 0.00 0.00 176.83 175.94 3dga h TRP 109 N 1.00 0.69 -0.00 3.45 2.91 -0.10 -2.77 115.95 121.14 3dga h TRP 109 Ca 0.29 -0.04 -0.16 0.00 1.13 0.00 0.00 58.89 60.11 3dga h TRP 109 Cb -0.06 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.35 3dga h TRP 109 CO -0.02 0.56 -0.77 0.93 -1.03 0.00 0.00 178.44 178.10 3dga h GLU 110 N 0.68 0.00 0.00 2.65 5.08 -0.61 -3.09 114.58 119.29 3dga h GLU 110 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dga h GLU 110 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3dga h GLU 110 CO -0.01 0.77 0.00 -1.13 -1.00 0.00 0.00 179.01 177.64 3dga n SER 111 N -3.62 0.00 -4.73 1.42 3.41 -0.75 -4.69 113.62 104.66 3dga n SER 111 Ca -0.01 -0.63 -0.37 0.00 -0.26 0.00 0.00 58.87 57.60 3dga n SER 111 Cb 0.75 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 3dga n SER 111 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dga s ILE 112 N -2.01 5.23 0.42 -1.33 1.01 -1.17 -5.00 121.20 118.34 3dga s ILE 112 Ca 0.31 0.77 -0.25 0.00 0.00 0.00 0.00 60.65 61.47 3dga s ILE 112 Cb 0.14 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 3dga s ILE 112 CO 0.24 0.37 1.24 -2.65 0.00 0.00 0.00 174.94 174.14 3dga n PRO 113 N 3.52 1.86 -0.15 2.79 -0.02 -1.26 -4.84 135.00 136.91 3dga n PRO 113 Ca -0.10 0.66 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 3dga n PRO 113 Cb 0.52 -2.33 0.60 0.00 -0.02 0.00 0.00 33.50 32.26 3dga n PRO 113 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dga h LYS 114 N 2.04 0.22 0.00 -0.52 3.64 -1.93 -0.79 116.57 119.23 3dga h LYS 114 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dga h LYS 114 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3dga h LYS 114 CO 0.60 0.14 0.00 1.57 -2.27 0.00 0.00 179.45 179.49 3dga h LYS 115 N 0.23 0.00 0.00 1.90 2.10 -2.02 -2.37 116.57 116.41 3dga h LYS 115 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3dga h LYS 115 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3dga h LYS 115 CO -0.08 0.00 -1.26 1.19 -2.00 0.00 0.00 179.45 177.30 3dga n PHE 116 N -2.57 0.00 -2.96 0.07 3.72 -0.31 -4.95 117.46 110.46 3dga n PHE 116 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3dga n PHE 116 Cb 0.09 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 3dga n PHE 116 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3dga s LYS 117 N -2.85 4.39 0.43 -1.08 1.02 -0.89 -2.18 119.74 118.58 3dga s LYS 117 Ca 0.00 0.96 -0.10 0.00 0.02 0.00 0.00 55.97 56.85 3dga s LYS 117 Cb 0.12 -3.50 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 3dga s LYS 117 CO 0.68 -0.10 0.79 -1.25 -0.92 0.00 0.00 175.35 174.56 3dga s PRO 118 N 1.34 3.75 -0.05 -1.68 0.04 -1.26 -4.98 135.00 132.16 3dga s PRO 118 Ca 0.39 0.47 -0.36 0.00 0.04 0.00 0.00 61.00 61.54 3dga s PRO 118 Cb -0.18 -2.36 -0.15 0.00 0.04 0.00 0.00 34.50 31.86 3dga s PRO 118 CO 0.17 -0.09 1.65 1.28 0.04 0.00 0.00 177.00 180.04 3dga n LEU 119 N -1.48 2.62 -4.78 -3.56 4.77 -0.92 -4.85 117.00 108.81 3dga n LEU 119 Ca 0.03 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 3dga n LEU 119 Cb 0.54 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 3dga n LEU 119 CO 0.49 -0.46 1.11 -0.94 -1.33 0.00 0.00 177.39 176.26 3dga s SER 120 N 2.39 6.24 -1.63 -1.43 1.04 -1.26 -3.10 113.70 115.95 3dga s SER 120 Ca 0.89 2.99 -0.02 0.00 0.48 0.00 0.00 55.95 60.30 3dga s SER 120 Cb -0.86 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 62.60 3dga s SER 120 CO 0.52 -0.94 0.18 0.59 0.98 0.00 0.00 173.24 174.56 3dga n ASN 121 N 0.29 -5.68 -3.84 7.02 5.03 -1.26 -4.97 115.26 111.86 3dga n ASN 121 Ca 0.02 -0.08 -0.12 0.00 0.87 0.00 0.00 54.58 55.27 3dga n ASN 121 Cb 0.40 -4.70 -0.12 0.00 -1.02 0.00 0.00 39.78 34.35 3dga n ASN 121 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3dga s ARG 122 N -5.25 0.23 -0.52 3.52 0.52 -1.18 -4.46 118.95 111.82 3dga s ARG 122 Ca 0.09 0.06 -0.28 0.00 -0.52 0.00 0.00 55.73 55.09 3dga s ARG 122 Cb -0.04 0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.56 3dga s ARG 122 CO 0.11 -0.04 1.12 0.42 0.02 0.00 0.00 175.30 176.94 3dga s ILE 123 N -0.24 4.18 -0.10 1.52 1.01 -0.66 -4.80 121.20 122.10 3dga s ILE 123 Ca -0.03 1.00 -0.25 0.00 0.00 0.00 0.00 60.65 61.37 3dga s ILE 123 Cb -0.03 -4.63 -0.02 0.00 0.01 0.00 0.00 42.46 37.79 3dga s ILE 123 CO 0.00 -1.11 0.81 0.20 0.00 0.00 0.00 174.94 174.84 3dga s ASN 124 N 2.63 7.04 -0.13 3.58 0.02 -1.26 -1.21 114.94 125.61 3dga s ASN 124 Ca 0.44 1.26 0.01 0.00 -1.02 0.00 0.00 52.86 53.55 3dga s ASN 124 Cb -0.08 -2.46 0.02 0.00 0.02 0.00 0.00 41.25 38.75 3dga s ASN 124 CO 0.28 -0.28 -0.15 -0.69 0.02 0.00 0.00 177.10 176.29 3dga s VAL 125 N 1.49 1.56 -0.10 1.60 1.01 0.35 -1.12 120.40 125.18 3dga s VAL 125 Ca 0.40 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3dga s VAL 125 Cb -0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3dga s VAL 125 CO 0.17 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 175.05 3dga s ILE 126 N 1.22 3.88 -0.19 2.22 1.01 0.51 -0.66 121.20 129.19 3dga s ILE 126 Ca -0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 3dga s ILE 126 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3dga s ILE 126 CO -0.06 0.56 0.29 -0.76 0.00 0.00 0.00 174.94 174.97 3dga s LEU 127 N -0.38 4.19 -0.05 2.97 1.43 0.43 -1.23 118.68 126.03 3dga s LEU 127 Ca 0.06 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 3dga s LEU 127 Cb -0.12 -2.35 0.09 0.00 0.03 0.00 0.00 46.19 43.84 3dga s LEU 127 CO 0.02 0.04 0.78 -0.55 0.23 0.00 0.00 176.35 176.88 3dga s SER 128 N 0.76 -0.54 -0.02 2.29 0.15 -0.35 -1.69 113.70 114.31 3dga s SER 128 Ca 0.15 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.29 3dga s SER 128 Cb -0.13 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 3dga s SER 128 CO 0.05 -0.58 0.01 0.54 1.20 0.00 0.00 173.24 174.46 3dga n ARG 129 N 0.58 3.08 0.13 5.44 1.74 -1.26 -3.84 116.66 122.54 3dga n ARG 129 Ca -0.15 -0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3dga n ARG 129 Cb 0.59 -1.05 0.04 0.00 -1.02 0.00 0.00 32.46 31.01 3dga n ARG 129 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3dga h THR 130 N 0.00 0.25 -3.85 0.55 1.35 -2.00 -3.46 112.91 105.75 3dga h THR 130 Ca -0.05 -1.41 -0.68 0.00 -0.55 0.00 0.00 66.41 63.72 3dga h THR 130 Cb 0.96 1.91 -0.21 0.00 -1.73 0.00 0.00 68.15 69.08 3dga h THR 130 CO 0.00 0.14 -0.82 -0.76 -0.25 0.00 0.00 175.52 173.84 3dga s LEU 131 N -5.88 2.58 0.34 3.87 1.43 -1.26 -5.12 118.68 114.64 3dga s LEU 131 Ca 0.02 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3dga s LEU 131 Cb 0.08 -1.46 -0.07 0.00 0.03 0.00 0.00 46.19 44.77 3dga s LEU 131 CO 0.75 0.20 -0.00 -0.54 0.23 0.00 0.00 176.35 176.99 3dga s LYS 132 N -1.91 1.72 0.53 1.70 1.02 -1.26 -4.78 119.74 116.76 3dga s LYS 132 Ca 0.16 -1.93 0.33 0.00 0.02 0.00 0.00 55.97 54.55 3dga s LYS 132 Cb -0.10 -1.25 1.48 0.00 -0.52 0.00 0.00 37.83 37.44 3dga s LYS 132 CO 0.08 -0.05 1.83 1.57 -0.92 0.00 0.00 175.35 177.86 3dga h LYS 133 N 2.06 0.04 0.00 1.68 2.10 -1.94 0.68 116.57 121.19 3dga h LYS 133 Ca -0.42 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3dga h LYS 133 Cb 1.24 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3dga h LYS 133 CO 0.72 0.03 0.00 0.93 -2.00 0.00 0.00 179.45 179.13 3dga h GLU 134 N 0.04 0.00 -0.00 0.07 3.07 -2.02 -2.42 114.58 113.33 3dga h GLU 134 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3dga h GLU 134 Cb 1.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 3dga h GLU 134 CO -0.04 0.00 -0.23 -0.25 -1.40 0.00 0.00 179.01 177.09 3dga n ASP 135 N -2.80 0.50 -4.52 1.42 8.00 0.23 -4.85 116.55 114.53 3dga n ASP 135 Ca 0.00 -0.36 -0.31 0.00 0.71 0.00 0.00 54.79 54.83 3dga n ASP 135 Cb 0.22 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 3dga n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dga s PHE 136 N -2.72 2.72 -0.13 1.24 0.40 -0.91 -5.01 117.98 113.57 3dga s PHE 136 Ca 0.20 -0.15 0.17 0.00 -0.60 0.00 0.00 56.93 56.56 3dga s PHE 136 Cb 0.19 -1.54 -0.24 0.00 0.51 0.00 0.00 43.02 41.94 3dga s PHE 136 CO 0.56 0.31 0.38 -3.47 0.70 0.00 0.00 175.22 173.69 3dga n ASP 137 N 1.59 0.32 -4.66 1.36 2.03 -1.26 -5.00 116.55 110.93 3dga n ASP 137 Ca -0.16 0.15 -0.29 0.00 0.52 0.00 0.00 54.79 55.01 3dga n ASP 137 Cb 0.52 0.78 0.18 0.00 -0.72 0.00 0.00 41.12 41.88 3dga n ASP 137 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3dga s GLU 138 N -2.73 0.43 -1.14 -0.67 8.01 -1.26 -4.94 118.70 116.40 3dga s GLU 138 Ca -0.07 0.61 -0.18 0.00 0.01 0.00 0.00 54.97 55.33 3dga s GLU 138 Cb 0.08 -1.73 0.10 0.00 -4.31 0.00 0.00 34.13 28.27 3dga s GLU 138 CO 0.84 -2.75 1.48 0.34 0.01 0.00 0.00 175.26 175.17 3dga s ASP 139 N -3.35 6.79 0.08 -0.19 -1.08 -1.26 -4.94 116.67 112.71 3dga s ASP 139 Ca 0.65 -2.30 -0.03 0.00 -0.52 0.00 0.00 52.55 50.35 3dga s ASP 139 Cb -0.19 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 3dga s ASP 139 CO 0.58 -1.11 0.05 0.68 0.52 0.00 0.00 175.17 175.89 3dga s VAL 140 N 3.38 0.18 -0.13 1.11 -7.23 -1.26 -4.65 120.40 111.79 3dga s VAL 140 Ca 0.45 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 3dga s VAL 140 Cb -0.00 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 3dga s VAL 140 CO -0.01 -0.81 0.06 -0.31 -0.31 0.00 0.00 175.10 173.72 3dga s TYR 141 N -3.93 3.32 -0.03 2.82 1.51 -0.28 -5.01 117.35 115.76 3dga s TYR 141 Ca 0.09 0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 3dga s TYR 141 Cb 0.07 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3dga s TYR 141 CO -0.08 0.43 -0.12 0.42 -1.11 0.00 0.00 175.55 175.09 3dga s ILE 142 N -0.46 3.25 -0.05 2.71 -1.09 -1.26 -0.36 121.20 123.92 3dga s ILE 142 Ca 0.10 -0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 3dga s ILE 142 Cb -0.12 -2.32 0.01 0.00 -1.58 0.00 0.00 42.46 38.45 3dga s ILE 142 CO 0.02 0.52 0.18 0.27 -1.23 0.00 0.00 174.94 174.70 3dga s ILE 143 N -0.83 0.02 -1.85 2.92 -4.36 -0.37 -4.94 121.20 111.80 3dga s ILE 143 Ca 0.13 -0.18 0.16 0.00 -0.26 0.00 0.00 60.65 60.49 3dga s ILE 143 Cb -0.11 -0.33 0.19 0.00 1.25 0.00 0.00 42.46 43.46 3dga s ILE 143 CO 0.03 -0.10 1.07 -0.46 0.24 0.00 0.00 174.94 175.72 3dga n ASN 144 N 2.54 2.52 -3.95 4.36 2.04 -1.25 -1.21 115.26 120.32 3dga n ASN 144 Ca -0.15 -1.73 -0.10 0.00 -0.44 0.00 0.00 54.58 52.16 3dga n ASN 144 Cb 0.58 -0.07 -0.10 0.00 -2.53 0.00 0.00 39.78 37.66 3dga n ASN 144 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3dga s LYS 145 N -1.25 0.44 0.18 -3.83 1.02 -1.26 -4.85 119.74 110.19 3dga s LYS 145 Ca 0.21 -0.62 -0.05 0.00 0.02 0.00 0.00 55.97 55.54 3dga s LYS 145 Cb 0.14 0.17 0.09 0.00 -0.52 0.00 0.00 37.83 37.71 3dga s LYS 145 CO 0.20 -0.09 1.51 0.28 -0.92 0.00 0.00 175.35 176.34 3dga h VAL 146 N 4.24 1.30 -0.44 3.17 2.07 -2.02 -2.66 116.25 121.91 3dga h VAL 146 Ca -0.32 -1.68 0.10 0.00 0.82 0.00 0.00 66.70 65.62 3dga h VAL 146 Cb 1.20 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3dga h VAL 146 CO 0.44 0.53 0.31 -0.33 0.02 0.00 0.00 177.57 178.55 3dga h GLU 147 N 0.52 0.12 -0.16 1.57 3.07 -2.01 -0.56 114.58 117.14 3dga h GLU 147 Ca 0.03 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 3dga h GLU 147 Cb 1.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3dga h GLU 147 CO 0.10 0.08 -0.32 -0.44 -1.40 0.00 0.00 179.01 177.03 3dga h ASP 148 N 0.13 0.32 -0.55 1.42 3.32 -1.89 -2.81 116.42 116.36 3dga h ASP 148 Ca 0.21 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3dga h ASP 148 Cb 0.65 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3dga h ASP 148 CO -0.03 0.62 0.31 0.25 -1.72 0.00 0.00 179.24 178.68 3dga h LEU 149 N 0.27 0.49 -0.59 1.55 5.85 -1.14 0.57 115.31 122.31 3dga h LEU 149 Ca 0.04 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3dga h LEU 149 Cb 0.70 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3dga h LEU 149 CO 0.05 0.34 0.35 0.40 -0.34 0.00 0.00 178.44 179.24 3dga h ILE 150 N 0.61 1.06 -0.39 4.05 1.08 -1.49 0.29 117.51 122.72 3dga h ILE 150 Ca 0.23 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3dga h ILE 150 Cb 0.08 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 3dga h ILE 150 CO -0.13 0.13 0.14 0.58 -0.69 0.00 0.00 178.15 178.18 3dga h VAL 151 N 0.70 1.21 -0.35 1.67 2.07 -1.20 -0.80 116.25 119.54 3dga h VAL 151 Ca 0.24 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3dga h VAL 151 Cb 0.03 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3dga h VAL 151 CO -0.10 0.23 0.22 0.25 0.02 0.00 0.00 177.57 178.19 3dga h LEU 152 N 0.49 0.41 -1.19 2.57 5.85 -0.33 -2.28 115.31 120.83 3dga h LEU 152 Ca 0.13 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3dga h LEU 152 Cb 0.23 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3dga h LEU 152 CO -0.01 0.32 0.39 -0.07 -0.34 0.00 0.00 178.44 178.73 3dga h LEU 153 N 0.46 0.85 -2.02 2.25 3.38 -0.21 0.11 115.31 120.13 3dga h LEU 153 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dga h LEU 153 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3dga h LEU 153 CO -0.03 0.67 -0.09 1.23 0.09 0.00 0.00 178.44 180.32 3dga h GLY 154 N 1.01 0.00 0.19 0.83 0.00 -0.61 -2.58 103.07 101.91 3dga h GLY 154 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3dga h GLY 154 CO -0.04 0.00 -1.01 0.28 0.00 0.00 0.00 176.54 175.77 3dga n LYS 155 N -3.56 0.08 -3.85 4.80 5.02 -0.12 -4.99 118.16 115.53 3dga n LYS 155 Ca -0.02 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.05 3dga n LYS 155 Cb 0.21 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3dga n LYS 155 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dga s LEU 156 N -3.20 4.03 -0.28 -0.35 1.43 -0.37 -5.09 118.68 114.86 3dga s LEU 156 Ca 0.07 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3dga s LEU 156 Cb 0.16 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3dga s LEU 156 CO 0.84 -0.19 0.11 0.20 0.23 0.00 0.00 176.35 177.54 3dga s ASN 157 N -4.00 5.39 0.13 2.29 0.01 -1.26 -4.96 114.94 112.54 3dga s ASN 157 Ca 0.37 -0.32 -0.25 0.00 -0.71 0.00 0.00 52.86 51.96 3dga s ASN 157 Cb -0.08 -1.97 0.07 0.00 0.41 0.00 0.00 41.25 39.67 3dga s ASN 157 CO 0.28 -0.10 0.78 -0.72 -1.51 0.00 0.00 177.10 175.83 3dga s TYR 158 N 1.63 -0.34 0.00 2.20 1.13 -1.26 -4.61 117.35 116.09 3dga s TYR 158 Ca 0.06 0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 3dga s TYR 158 Cb -0.16 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 3dga s TYR 158 CO 0.05 -0.83 0.00 0.98 -2.51 0.00 0.00 175.55 173.24 3dga n TYR 159 N -0.37 0.00 -4.33 -3.49 9.36 -0.43 -4.95 117.16 112.95 3dga n TYR 159 Ca -0.10 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.91 3dga n TYR 159 Cb 0.62 -0.02 -0.11 0.00 -0.63 0.00 0.00 39.34 39.20 3dga n TYR 159 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3dga s LYS 160 N -0.04 1.27 -0.19 2.98 1.02 -1.26 -4.88 119.74 118.64 3dga s LYS 160 Ca 0.00 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 54.53 3dga s LYS 160 Cb 0.00 -1.28 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 3dga s LYS 160 CO 0.00 0.25 -0.04 0.00 -0.92 0.00 0.00 175.35 174.65 3dga s PHE 162 N 0.95 2.76 -0.58 0.00 0.08 0.14 -0.10 117.98 121.24 3dga s PHE 162 Ca 0.00 -0.92 -0.21 0.00 0.12 0.00 0.00 56.93 55.92 3dga s PHE 162 Cb -0.15 -1.85 0.07 0.00 -0.57 0.00 0.00 43.02 40.53 3dga s PHE 162 CO 0.01 -0.39 0.79 0.42 -0.10 0.00 0.00 175.22 175.95 3dga s ILE 163 N 0.60 4.63 -2.02 0.64 -1.09 0.47 -0.75 121.20 123.68 3dga s ILE 163 Ca -0.09 -0.46 0.09 0.00 -2.23 0.00 0.00 60.65 57.95 3dga s ILE 163 Cb -0.16 -4.49 0.25 0.00 -1.58 0.00 0.00 42.46 36.48 3dga s ILE 163 CO 0.03 -1.12 1.23 2.30 -1.23 0.00 0.00 174.94 176.16 3dga n ILE 164 N 5.78 0.30 -1.06 2.92 -5.35 -0.75 -2.42 119.36 118.78 3dga n ILE 164 Ca -0.05 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3dga n ILE 164 Cb 0.45 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 3dga n ILE 164 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dga n GLY 165 N 0.90 3.37 0.00 3.28 0.00 -1.20 -4.94 105.19 106.61 3dga n GLY 165 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3dga n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dga n GLY 166 N 0.00 4.77 0.37 -0.02 0.00 -1.26 -0.45 105.19 108.60 3dga n GLY 166 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.89 3dga n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dga h SER 167 N 0.00 1.00 -0.64 1.61 4.64 -1.94 0.42 113.55 118.64 3dga h SER 167 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3dga h SER 167 Cb 0.00 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 3dga h SER 167 CO 0.00 0.64 0.37 0.58 -0.87 0.00 0.00 176.83 177.55 3dga h VAL 168 N 1.13 1.19 0.09 0.95 2.07 -1.92 -1.22 116.25 118.54 3dga h VAL 168 Ca 0.42 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dga h VAL 168 Cb 0.19 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3dga h VAL 168 CO -0.17 0.21 -0.04 0.58 0.02 0.00 0.00 177.57 178.17 3dga h VAL 169 N 0.87 1.05 -0.31 2.57 2.07 -1.58 -2.44 116.25 118.49 3dga h VAL 169 Ca 0.23 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3dga h VAL 169 Cb 0.00 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3dga h VAL 169 CO -0.04 0.12 -0.19 1.88 0.02 0.00 0.00 177.57 179.36 3dga h TYR 170 N -0.34 -0.49 -0.39 1.57 0.05 -0.78 -1.54 116.97 115.06 3dga h TYR 170 Ca -0.01 0.04 0.08 0.00 0.05 0.00 0.00 58.73 58.89 3dga h TYR 170 Cb 0.29 0.26 -0.09 0.00 1.01 0.00 0.00 36.73 38.20 3dga h TYR 170 CO 0.00 -0.27 -0.23 0.37 -1.05 0.00 0.00 178.16 176.98 3dga h GLN 171 N -0.16 -0.16 0.00 4.88 -0.00 -1.16 -1.58 115.11 116.94 3dga h GLN 171 Ca 0.16 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.71 3dga h GLN 171 Cb 0.40 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.90 3dga h GLN 171 CO -0.40 -0.11 -0.54 1.05 0.00 0.00 0.00 178.83 178.83 3dga h GLU 172 N -0.17 0.00 0.00 1.69 4.11 -1.02 -2.64 114.58 116.55 3dga h GLU 172 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 3dga h GLU 172 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3dga h GLU 172 CO -0.49 0.54 -0.03 0.74 0.07 0.00 0.00 179.01 179.84 3dga h PHE 173 N 0.00 0.00 0.19 2.06 -1.00 -0.69 -3.02 116.94 114.47 3dga h PHE 173 Ca -0.01 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.44 3dga h PHE 173 Cb 0.96 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.54 3dga h PHE 173 CO 0.00 0.03 -1.60 -0.07 -1.61 0.00 0.00 178.31 175.07 3dga h LEU 174 N 0.00 0.62 -0.23 1.54 3.38 -1.09 -1.53 115.31 118.00 3dga h LEU 174 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3dga h LEU 174 Cb 0.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3dga h LEU 174 CO 0.00 1.66 0.15 -0.33 0.09 0.00 0.00 178.44 180.02 3dga h GLU 175 N 0.11 0.30 0.00 1.13 5.08 -1.47 -1.87 114.58 117.86 3dga h GLU 175 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3dga h GLU 175 Cb 2.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3dga h GLU 175 CO 0.20 0.20 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3dga n LYS 176 N -4.93 0.24 -2.59 2.33 5.02 -1.15 -4.88 118.16 112.20 3dga n LYS 176 Ca -0.03 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 3dga n LYS 176 Cb 0.03 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 3dga n LYS 176 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dga n LYS 177 N -1.31 -2.41 -0.14 1.97 5.02 -0.71 -4.93 118.16 115.66 3dga n LYS 177 Ca 0.08 0.53 0.07 0.00 -2.02 0.00 0.00 58.31 56.97 3dga n LYS 177 Cb 0.16 -4.59 0.22 0.00 -0.02 0.00 0.00 35.03 30.80 3dga n LYS 177 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dga n LEU 178 N -2.25 1.68 -4.42 -0.35 4.77 -0.58 -4.69 117.00 111.16 3dga n LEU 178 Ca -0.08 -0.80 -0.36 0.00 -0.03 0.00 0.00 56.01 54.74 3dga n LEU 178 Cb 0.58 -0.18 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 3dga n LEU 178 CO 0.25 0.40 -0.31 -0.63 -1.33 0.00 0.00 177.39 175.77 3dga s ILE 179 N -1.63 4.10 0.03 -0.08 -1.09 -1.25 -4.57 121.20 116.70 3dga s ILE 179 Ca 0.25 -0.25 0.10 0.00 -2.23 0.00 0.00 60.65 58.52 3dga s ILE 179 Cb 0.13 -2.90 -0.15 0.00 -1.58 0.00 0.00 42.46 37.96 3dga s ILE 179 CO 0.18 0.37 1.20 0.50 -1.23 0.00 0.00 174.94 175.96 3dga h LYS 180 N 8.08 0.00 -2.66 2.79 3.64 -1.10 -3.43 116.57 123.89 3dga h LYS 180 Ca -0.39 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 3dga h LYS 180 Cb 1.17 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.85 3dga h LYS 180 CO 0.59 0.79 0.23 0.15 -2.27 0.00 0.00 179.45 178.94 3dga s LYS 181 N -2.76 1.18 -0.20 1.90 1.02 -1.26 -3.02 119.74 116.60 3dga s LYS 181 Ca 0.01 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 55.75 3dga s LYS 181 Cb 0.09 0.54 0.04 0.00 -0.52 0.00 0.00 37.83 37.99 3dga s LYS 181 CO 0.81 -0.48 -0.12 0.42 -0.92 0.00 0.00 175.35 175.06 3dga s ILE 182 N -2.98 1.77 -0.60 2.17 1.01 -0.49 -1.70 121.20 120.37 3dga s ILE 182 Ca -0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 3dga s ILE 182 Cb -0.01 -1.79 0.08 0.00 0.01 0.00 0.00 42.46 40.75 3dga s ILE 182 CO -0.06 0.23 0.82 -0.31 0.00 0.00 0.00 174.94 175.61 3dga s TYR 183 N 1.35 2.86 -0.20 3.97 2.02 0.38 -0.57 117.35 127.15 3dga s TYR 183 Ca -0.01 -0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 56.01 3dga s TYR 183 Cb -0.16 -4.05 -0.03 0.00 -0.40 0.00 0.00 41.96 37.32 3dga s TYR 183 CO -0.09 -1.40 0.01 0.12 -1.57 0.00 0.00 175.55 172.62 3dga s PHE 184 N 3.35 3.06 -0.25 2.71 2.19 -0.56 -0.72 117.98 127.76 3dga s PHE 184 Ca 0.18 -0.42 -0.11 0.00 0.33 0.00 0.00 56.93 56.92 3dga s PHE 184 Cb -0.19 -2.10 -0.05 0.00 -1.31 0.00 0.00 43.02 39.37 3dga s PHE 184 CO 0.10 -0.22 0.17 0.99 1.83 0.00 0.00 175.22 178.09 3dga s THR 185 N 1.01 5.34 -0.51 0.12 2.01 0.18 -1.27 115.64 122.52 3dga s THR 185 Ca 0.02 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 3dga s THR 185 Cb -0.14 -3.51 0.08 0.00 0.01 0.00 0.00 72.50 68.93 3dga s THR 185 CO 0.02 0.32 0.54 -0.13 -0.69 0.00 0.00 174.62 174.68 3dga s ARG 186 N 1.26 3.04 -0.43 4.92 0.52 -0.74 -0.37 118.95 127.16 3dga s ARG 186 Ca 0.08 -1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 53.80 3dga s ARG 186 Cb -0.14 -4.16 0.02 0.00 0.52 0.00 0.00 34.95 31.19 3dga s ARG 186 CO 0.06 -1.22 1.02 0.42 0.02 0.00 0.00 175.30 175.60 3dga s ILE 187 N 2.18 4.41 -1.33 1.52 -1.09 0.05 -2.69 121.20 124.25 3dga s ILE 187 Ca 0.09 1.14 -0.07 0.00 -2.23 0.00 0.00 60.65 59.58 3dga s ILE 187 Cb -0.23 -4.47 0.03 0.00 -1.58 0.00 0.00 42.46 36.21 3dga s ILE 187 CO 0.08 -0.78 2.65 -3.20 -1.23 0.00 0.00 174.94 172.46 3dga n ASN 188 N 7.27 8.12 -3.70 3.58 5.15 -0.28 -3.87 115.26 131.53 3dga n ASN 188 Ca 0.09 -2.93 -0.10 0.00 -0.60 0.00 0.00 54.58 51.04 3dga n ASN 188 Cb 0.48 -1.42 -0.04 0.00 -0.53 0.00 0.00 39.78 38.28 3dga n ASN 188 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3dga s SER 189 N 1.04 -0.29 -0.11 1.20 1.04 -1.26 -4.51 113.70 110.81 3dga s SER 189 Ca 0.60 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.60 3dga s SER 189 Cb 0.20 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 3dga s SER 189 CO -0.09 -1.04 -0.06 -0.89 0.98 0.00 0.00 173.24 172.14 3dga s THR 190 N -3.86 3.73 0.14 2.02 2.01 -1.26 -1.52 115.64 116.90 3dga s THR 190 Ca 0.08 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 3dga s THR 190 Cb -0.01 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3dga s THR 190 CO -0.04 0.55 0.10 -0.31 -0.69 0.00 0.00 174.62 174.23 3dga s TYR 191 N -0.28 0.78 0.20 4.92 1.51 -1.13 -4.99 117.35 118.36 3dga s TYR 191 Ca 0.04 -1.15 -0.30 0.00 -1.01 0.00 0.00 57.07 54.65 3dga s TYR 191 Cb -0.13 -0.40 -0.08 0.00 -0.11 0.00 0.00 41.96 41.24 3dga s TYR 191 CO 0.02 -0.56 1.17 -2.00 -1.11 0.00 0.00 175.55 173.07 3dga s GLU 192 N -4.04 4.53 0.05 -0.62 2.12 -1.26 -3.81 118.70 115.67 3dga s GLU 192 Ca 0.23 1.84 -0.01 0.00 0.36 0.00 0.00 54.97 57.40 3dga s GLU 192 Cb 0.07 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 3dga s GLU 192 CO 0.02 -0.02 -0.03 0.00 -0.54 0.00 0.00 175.26 174.68 3dga n ASP 194 N 0.41 0.09 -4.02 0.00 5.68 -0.12 -4.96 116.55 113.63 3dga n ASP 194 Ca -0.16 -0.38 -0.15 0.00 -0.50 0.00 0.00 54.79 53.60 3dga n ASP 194 Cb 0.60 0.26 -0.13 0.00 -1.14 0.00 0.00 41.12 40.71 3dga n ASP 194 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3dga s VAL 195 N -0.26 0.55 0.10 2.12 -7.23 -0.93 -5.01 120.40 109.73 3dga s VAL 195 Ca 0.00 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3dga s VAL 195 Cb 0.00 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 3dga s VAL 195 CO 0.00 -0.10 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.31 3dga s PHE 196 N -0.73 0.81 0.38 2.82 0.08 -1.26 -1.96 117.98 118.12 3dga s PHE 196 Ca -0.03 -1.06 -0.21 0.00 0.12 0.00 0.00 56.93 55.76 3dga s PHE 196 Cb -0.06 -0.49 -0.10 0.00 -0.57 0.00 0.00 43.02 41.79 3dga s PHE 196 CO 0.00 -0.32 0.90 0.12 -0.10 0.00 0.00 175.22 175.82 3dga s PHE 197 N -3.82 3.40 0.80 0.36 5.36 -0.29 -4.82 117.98 118.96 3dga s PHE 197 Ca 0.15 1.55 -0.13 0.00 -0.96 0.00 0.00 56.93 57.54 3dga s PHE 197 Cb 0.07 -2.79 0.08 0.00 -0.34 0.00 0.00 43.02 40.04 3dga s PHE 197 CO -0.04 0.00 1.19 -2.14 -1.46 0.00 0.00 175.22 172.77 3dga s PRO 198 N -2.90 1.71 -0.43 10.12 0.02 -1.26 -4.91 135.00 137.35 3dga s PRO 198 Ca 0.58 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 62.98 3dga s PRO 198 Cb -0.11 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.64 3dga s PRO 198 CO 0.16 -2.15 1.24 -2.00 -0.33 0.00 0.00 177.00 173.92 3dga s GLU 199 N -4.22 3.71 0.18 5.54 2.12 -1.26 -4.97 118.70 119.80 3dga s GLU 199 Ca 0.71 0.78 -0.31 0.00 0.36 0.00 0.00 54.97 56.51 3dga s GLU 199 Cb -0.27 -3.93 -0.10 0.00 0.26 0.00 0.00 34.13 30.09 3dga s GLU 199 CO 0.51 -1.39 1.55 0.42 -0.54 0.00 0.00 175.26 175.80 3dga s ILE 200 N 4.73 2.61 -0.35 -3.70 1.01 -1.26 -4.95 121.20 119.28 3dga s ILE 200 Ca 0.53 0.45 -0.27 0.00 0.00 0.00 0.00 60.65 61.36 3dga s ILE 200 Cb -0.10 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3dga s ILE 200 CO 0.30 0.04 0.97 0.21 0.00 0.00 0.00 174.94 176.47 3dga s ASN 201 N 1.01 6.76 0.10 3.58 3.84 -1.26 -4.89 114.94 124.08 3dga s ASN 201 Ca 0.68 0.74 0.03 0.00 0.21 0.00 0.00 52.86 54.52 3dga s ASN 201 Cb -0.44 -2.49 0.15 0.00 -0.55 0.00 0.00 41.25 37.93 3dga s ASN 201 CO 0.33 -0.87 0.84 1.21 -2.79 0.00 0.00 177.10 175.83 3dga n GLU 202 N 6.82 0.02 -0.04 0.43 2.13 -1.26 -0.16 120.64 128.58 3dga n GLU 202 Ca 0.09 0.31 0.04 0.00 0.66 0.00 0.00 57.16 58.26 3dga n GLU 202 Cb 0.48 -1.90 -0.17 0.00 0.27 0.00 0.00 31.44 30.12 3dga n GLU 202 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3dga n ASN 203 N -1.44 0.00 -0.04 4.31 3.02 -1.26 -4.40 115.26 115.45 3dga n ASN 203 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3dga n ASN 203 Cb 0.34 1.68 -0.14 0.00 -0.61 0.00 0.00 39.78 41.04 3dga n ASN 203 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dga n GLU 204 N -2.41 0.66 -4.21 3.52 1.02 0.78 -4.71 120.64 115.28 3dga n GLU 204 Ca -0.13 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 3dga n GLU 204 Cb 0.75 -1.70 -0.13 0.00 -0.02 0.00 0.00 31.44 30.35 3dga n GLU 204 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3dga s TYR 205 N -2.56 0.94 -0.05 -0.32 2.02 -0.67 -0.59 117.35 116.12 3dga s TYR 205 Ca -0.10 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 3dga s TYR 205 Cb 0.07 -0.56 0.03 0.00 -0.40 0.00 0.00 41.96 41.10 3dga s TYR 205 CO 0.81 -0.01 0.12 1.14 -1.57 0.00 0.00 175.55 176.04 3dga s GLN 206 N -1.19 0.09 0.27 -0.62 -2.07 -0.56 -4.19 119.66 111.39 3dga s GLN 206 Ca -0.02 0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 53.48 3dga s GLN 206 Cb -0.08 -0.09 -0.11 0.00 -1.09 0.00 0.00 33.01 31.64 3dga s GLN 206 CO 0.01 -0.11 1.62 0.42 -1.32 0.00 0.00 175.29 175.91 3dga s ILE 207 N 0.73 2.09 0.00 3.63 1.01 -1.26 -1.80 121.20 125.60 3dga s ILE 207 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3dga s ILE 207 Cb -0.07 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3dga s ILE 207 CO -0.03 0.01 0.00 2.30 0.00 0.00 0.00 174.94 177.22 3dga n ILE 208 N 2.60 0.00 -3.76 2.92 -5.35 -0.27 -4.92 119.36 110.58 3dga n ILE 208 Ca 0.10 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 3dga n ILE 208 Cb 0.37 0.76 -0.11 0.00 -1.74 0.00 0.00 39.64 38.92 3dga n ILE 208 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3dga s SER 209 N -1.23 -0.31 -0.06 7.28 0.01 -1.22 -4.99 113.70 113.18 3dga s SER 209 Ca 0.00 0.57 -0.00 0.00 1.31 0.00 0.00 55.95 57.83 3dga s SER 209 Cb 0.00 0.61 0.02 0.00 0.21 0.00 0.00 66.02 66.86 3dga s SER 209 CO 0.00 -0.15 -0.02 0.68 0.41 0.00 0.00 173.24 174.15 3dga s VAL 210 N -0.03 0.44 0.54 3.43 -7.23 -1.26 -0.83 120.40 115.46 3dga s VAL 210 Ca -0.02 -0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 3dga s VAL 210 Cb -0.03 -0.53 0.12 0.00 0.56 0.00 0.00 36.38 36.50 3dga s VAL 210 CO 0.01 0.23 0.73 -1.54 -0.31 0.00 0.00 175.10 174.23 3dga n SER 211 N 4.53 0.33 -4.69 4.85 3.41 0.37 -5.01 113.62 117.41 3dga n SER 211 Ca -0.17 -1.43 -0.29 0.00 -0.26 0.00 0.00 58.87 56.71 3dga n SER 211 Cb 0.50 -0.54 0.16 0.00 -0.26 0.00 0.00 64.21 64.08 3dga n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dga s ASP 212 N -3.78 3.03 -0.03 4.04 -1.08 -1.26 -4.72 116.67 112.88 3dga s ASP 212 Ca 0.44 1.45 -0.01 0.00 -0.52 0.00 0.00 52.55 53.91 3dga s ASP 212 Cb -0.02 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.28 3dga s ASP 212 CO 0.30 -2.91 0.07 -0.69 0.52 0.00 0.00 175.17 172.46 3dga s VAL 213 N -2.89 4.68 0.21 1.11 1.01 -1.26 -4.40 120.40 118.87 3dga s VAL 213 Ca 0.64 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 3dga s VAL 213 Cb -0.19 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3dga s VAL 213 CO 0.58 0.42 0.13 -0.31 0.00 0.00 0.00 175.10 175.92 3dga s TYR 214 N -1.12 1.23 -0.06 5.22 1.51 -0.24 -4.97 117.35 118.91 3dga s TYR 214 Ca 0.20 -1.38 0.05 0.00 -1.01 0.00 0.00 57.07 54.94 3dga s TYR 214 Cb -0.12 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 3dga s TYR 214 CO 0.11 -0.62 -0.22 0.99 -1.11 0.00 0.00 175.55 174.70 3dga s THR 215 N -4.08 1.83 -0.25 -0.71 2.01 -1.26 -0.91 115.64 112.26 3dga s THR 215 Ca 0.39 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 61.29 3dga s THR 215 Cb 0.07 -1.56 0.07 0.00 0.01 0.00 0.00 72.50 71.09 3dga s THR 215 CO 0.13 0.51 0.63 -0.55 -0.69 0.00 0.00 174.62 174.66 3dga s SER 216 N 0.03 -0.80 -1.40 3.53 0.15 -0.66 -4.93 113.70 109.62 3dga s SER 216 Ca -0.07 1.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.90 3dga s SER 216 Cb -0.14 1.28 0.03 0.00 -1.71 0.00 0.00 66.02 65.47 3dga s SER 216 CO 0.04 -0.23 0.68 0.59 1.20 0.00 0.00 173.24 175.53 3dga n ASN 217 N 3.81 -1.75 -3.49 5.45 4.13 -1.26 -2.65 115.26 119.50 3dga n ASN 217 Ca -0.19 -0.87 -0.24 0.00 1.68 0.00 0.00 54.58 54.96 3dga n ASN 217 Cb 0.57 -3.69 0.07 0.00 -1.54 0.00 0.00 39.78 35.19 3dga n ASN 217 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3dga n ASN 218 N -2.97 -6.29 -3.57 6.41 5.15 -1.26 -5.00 115.26 107.72 3dga n ASN 218 Ca -0.22 -0.50 -0.16 0.00 -0.60 0.00 0.00 54.58 53.11 3dga n ASN 218 Cb 0.64 -4.98 -0.06 0.00 -0.53 0.00 0.00 39.78 34.85 3dga n ASN 218 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3dga s THR 219 N -3.29 0.00 0.45 -0.44 -1.32 -1.08 -5.08 115.64 104.87 3dga s THR 219 Ca 0.53 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.94 3dga s THR 219 Cb -0.24 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.71 3dga s THR 219 CO 0.66 0.00 0.77 0.42 -2.21 0.00 0.00 174.62 174.26 3dga s THR 220 N -0.49 4.88 0.01 5.08 -4.23 -1.26 -1.66 115.64 117.97 3dga s THR 220 Ca -0.06 0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.51 3dga s THR 220 Cb -0.02 -3.82 0.09 0.00 1.34 0.00 0.00 72.50 70.10 3dga s THR 220 CO 0.05 -0.72 0.80 -1.48 -0.54 0.00 0.00 174.62 172.74 3dga s LEU 221 N -4.39 -0.45 0.00 4.79 2.34 -0.09 -1.13 118.68 119.76 3dga s LEU 221 Ca 0.48 0.13 0.02 0.00 0.06 0.00 0.00 54.13 54.83 3dga s LEU 221 Cb -0.10 2.21 -0.01 0.00 -0.56 0.00 0.00 46.19 47.73 3dga s LEU 221 CO 0.40 -0.68 0.39 -0.90 -1.06 0.00 0.00 176.35 174.50 3dga n ASP 222 N -0.03 -1.06 -3.99 1.48 5.68 -1.09 -1.08 116.55 116.45 3dga n ASP 222 Ca -0.12 -3.00 -0.23 0.00 -0.50 0.00 0.00 54.79 50.94 3dga n ASP 222 Cb 0.62 2.13 -0.16 0.00 -1.14 0.00 0.00 41.12 42.56 3dga n ASP 222 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3dga s PHE 223 N -3.11 1.20 0.07 2.11 0.08 -1.26 -1.78 117.98 115.29 3dga s PHE 223 Ca 0.33 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.06 3dga s PHE 223 Cb 0.00 -0.90 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 3dga s PHE 223 CO 0.24 -0.22 -0.19 0.96 -0.10 0.00 0.00 175.22 175.92 3dga s ILE 224 N 0.60 1.50 -0.22 0.64 -4.36 -0.40 -0.48 121.20 118.48 3dga s ILE 224 Ca -0.11 -1.32 -0.04 0.00 -0.26 0.00 0.00 60.65 58.92 3dga s ILE 224 Cb -0.14 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 3dga s ILE 224 CO 0.02 -0.00 -0.04 -0.63 0.24 0.00 0.00 174.94 174.53 3dga s ILE 225 N -1.02 3.40 0.25 8.37 1.01 -0.01 -1.50 121.20 131.71 3dga s ILE 225 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3dga s ILE 225 Cb -0.09 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 3dga s ILE 225 CO 0.03 0.40 0.53 -0.31 0.00 0.00 0.00 174.94 175.59 3dga s TYR 226 N 1.48 3.46 -0.01 3.97 1.51 0.26 -1.11 117.35 126.91 3dga s TYR 226 Ca 0.06 0.69 0.01 0.00 -1.01 0.00 0.00 57.07 56.82 3dga s TYR 226 Cb -0.14 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.58 3dga s TYR 226 CO -0.03 0.24 -0.04 0.21 -1.11 0.00 0.00 175.55 174.82 3dga s LYS 227 N -3.22 0.35 -0.08 -0.62 2.20 -0.74 -1.40 119.74 116.22 3dga s LYS 227 Ca 0.44 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 3dga s LYS 227 Cb -0.11 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 3dga s LYS 227 CO 0.27 0.07 1.65 0.21 -0.36 0.00 0.00 175.35 177.18 3dga s LYS 228 N 0.02 4.12 0.79 4.03 2.20 -1.17 -1.49 119.74 128.24 3dga s LYS 228 Ca 0.00 2.11 -0.11 0.00 -0.36 0.00 0.00 55.97 57.62 3dga s LYS 228 Cb -0.03 -3.99 0.07 0.00 -1.51 0.00 0.00 37.83 32.37 3dga s LYS 228 CO -0.00 -0.91 1.09 0.95 -0.36 0.00 0.00 175.35 176.11 3dga s THR 229 N 4.23 3.25 -2.00 3.43 -4.23 0.25 -4.97 115.64 115.60 3dga s THR 229 Ca 0.73 0.41 0.31 0.00 -1.18 0.00 0.00 61.69 61.96 3dga s THR 229 Cb -0.32 -2.93 0.89 0.00 1.34 0.00 0.00 72.50 71.48 3dga s THR 229 CO 0.29 -0.53 2.20 0.59 -0.54 0.00 0.00 174.62 176.63