#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsb n LEU 16 N 0.00 1.36 -4.20 -1.84 4.77 -1.26 -4.84 117.00 110.99 3dsb n LEU 16 Ca 0.00 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 3dsb n LEU 16 Cb 0.00 -0.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.46 3dsb n LEU 16 CO 0.00 0.38 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.27 3dsb s ILE 17 N -2.29 1.85 0.18 -0.08 1.01 -1.26 -0.42 121.20 120.18 3dsb s ILE 17 Ca -0.21 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.32 3dsb s ILE 17 Cb 0.08 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 41.00 3dsb s ILE 17 CO 0.28 0.52 0.52 -1.83 0.00 0.00 0.00 174.94 174.43 3dsb s GLU 18 N 0.10 1.32 -0.13 2.79 -1.05 -0.92 -5.00 118.70 115.81 3dsb s GLU 18 Ca -0.09 -0.77 -0.03 0.00 -0.15 0.00 0.00 54.97 53.93 3dsb s GLU 18 Cb -0.15 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 3dsb s GLU 18 CO 0.05 -0.56 -0.03 0.42 0.95 0.00 0.00 175.26 176.09 3dsb s ILE 19 N -3.84 4.01 0.09 1.83 1.01 -1.26 -0.75 121.20 122.30 3dsb s ILE 19 Ca 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3dsb s ILE 19 Cb -0.01 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3dsb s ILE 19 CO -0.06 0.53 0.11 0.00 0.00 0.00 0.00 174.94 175.51 3dsb s ARG 20 N -0.03 0.83 0.51 2.79 1.70 -0.55 -4.97 118.95 119.23 3dsb s ARG 20 Ca 0.02 -1.16 -0.23 0.00 -0.47 0.00 0.00 55.73 53.89 3dsb s ARG 20 Cb -0.13 0.29 -0.06 0.00 -0.57 0.00 0.00 34.95 34.48 3dsb s ARG 20 CO 0.02 -0.24 1.37 -1.21 -1.08 0.00 0.00 175.30 174.17 3dsb s GLU 21 N -3.93 3.34 0.85 3.89 2.02 -1.26 -0.83 118.70 122.79 3dsb s GLU 21 Ca 0.11 2.27 -0.11 0.00 0.02 0.00 0.00 54.97 57.26 3dsb s GLU 21 Cb 0.06 -2.39 0.10 0.00 0.10 0.00 0.00 34.13 32.00 3dsb s GLU 21 CO -0.07 -1.04 1.10 0.00 0.02 0.00 0.00 175.26 175.27 3dsb s ALA 22 N -1.28 1.79 0.00 5.21 0.00 -0.33 -4.75 121.76 122.40 3dsb s ALA 22 Ca 0.68 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3dsb s ALA 22 Cb -0.41 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3dsb s ALA 22 CO 0.50 -2.22 0.00 0.54 0.00 0.00 0.00 175.76 174.58 3dsb n ARG 23 N -3.83 0.00 0.00 0.00 1.74 -1.26 -4.99 116.66 108.32 3dsb n ARG 23 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3dsb n ARG 23 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3dsb n ARG 23 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dsb n ASP 25 N 0.00 0.00 -0.12 0.55 10.43 -1.26 -3.99 116.55 122.16 3dsb n ASP 25 Ca 0.00 0.00 0.15 0.00 2.57 0.00 0.00 54.79 57.51 3dsb n ASP 25 Cb 0.00 0.00 0.72 0.00 1.84 0.00 0.00 41.12 43.68 3dsb n ASP 25 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3dsb n ASP 26 N 0.00 0.41 -0.12 -2.24 8.00 -1.26 -4.43 116.55 116.91 3dsb n ASP 26 Ca 0.00 -0.78 -0.07 0.00 0.71 0.00 0.00 54.79 54.66 3dsb n ASP 26 Cb 0.00 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3dsb n ASP 26 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dsb h LEU 27 N 0.58 -0.97 -0.65 0.64 5.85 -1.99 -0.06 115.31 118.71 3dsb h LEU 27 Ca 0.00 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3dsb h LEU 27 Cb 0.26 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3dsb h LEU 27 CO 0.00 -0.30 0.08 0.44 -0.34 0.00 0.00 178.44 178.32 3dsb h ASP 28 N -0.21 1.06 -0.30 1.25 3.32 -1.97 -0.89 116.42 118.68 3dsb h ASP 28 Ca 0.19 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3dsb h ASP 28 Cb 0.51 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3dsb h ASP 28 CO -0.54 1.07 -0.04 0.74 -1.72 0.00 0.00 179.24 178.75 3dsb h THR 29 N 1.02 1.27 -0.72 0.35 2.02 -1.74 -0.83 112.91 114.28 3dsb h THR 29 Ca 0.20 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 3dsb h THR 29 Cb 0.47 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3dsb h THR 29 CO 0.02 0.33 0.26 0.40 0.37 0.00 0.00 175.52 176.90 3dsb h ILE 30 N 0.34 1.25 -0.32 3.11 2.04 -0.86 0.35 117.51 123.43 3dsb h ILE 30 Ca 0.08 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3dsb h ILE 30 Cb 0.51 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3dsb h ILE 30 CO 0.02 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.55 3dsb h ALA 31 N 1.23 0.43 -0.66 1.87 0.00 -1.07 -0.89 119.26 120.16 3dsb h ALA 31 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dsb h ALA 31 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3dsb h ALA 31 CO -0.02 0.13 0.42 -0.22 0.00 0.00 0.00 179.25 179.56 3dsb h LYS 32 N 0.36 0.89 -0.82 0.00 3.64 -0.74 -0.52 116.57 119.38 3dsb h LYS 32 Ca 0.10 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3dsb h LYS 32 Cb 0.35 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3dsb h LYS 32 CO 0.01 0.61 0.46 0.74 -2.27 0.00 0.00 179.45 178.99 3dsb h PHE 33 N 0.90 1.12 -0.25 1.91 0.04 -0.73 0.00 116.94 119.93 3dsb h PHE 33 Ca 0.24 -0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.83 3dsb h PHE 33 Cb -0.07 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.72 3dsb h PHE 33 CO -0.02 0.77 -0.51 -0.91 -0.60 0.00 0.00 178.31 177.03 3dsb h ASN 34 N 1.15 0.77 -0.19 2.17 2.35 -0.54 0.12 115.58 121.41 3dsb h ASN 34 Ca 0.29 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3dsb h ASN 34 Cb 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3dsb h ASN 34 CO -0.05 1.14 0.04 0.22 -1.65 0.00 0.00 177.43 177.14 3dsb h TYR 35 N 0.55 0.08 -0.75 1.19 3.20 -0.80 -1.36 116.97 119.07 3dsb h TYR 35 Ca 0.02 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3dsb h TYR 35 Cb 1.08 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 3dsb h TYR 35 CO 0.05 0.03 0.24 -0.91 -1.64 0.00 0.00 178.16 175.93 3dsb h ASN 36 N 0.13 1.09 -0.23 -2.11 2.35 -0.68 -2.26 115.58 113.87 3dsb h ASN 36 Ca 0.09 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 3dsb h ASN 36 Cb 0.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3dsb h ASN 36 CO -0.11 1.01 0.11 0.25 -1.65 0.00 0.00 177.43 177.04 3dsb h LEU 37 N 1.11 0.16 -0.71 1.61 5.85 -0.48 -0.53 115.31 122.32 3dsb h LEU 37 Ca 0.24 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 3dsb h LEU 37 Cb 0.31 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3dsb h LEU 37 CO -0.01 0.13 -0.22 0.00 -0.34 0.00 0.00 178.44 178.00 3dsb h ALA 38 N 1.12 0.90 -0.04 1.25 0.00 -1.10 -0.03 119.26 121.36 3dsb h ALA 38 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3dsb h ALA 38 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dsb h ALA 38 CO -0.07 0.63 0.00 -0.22 0.00 0.00 0.00 179.25 179.59 3dsb h LYS 39 N 0.67 0.07 -0.18 0.00 1.63 -1.03 -1.05 116.57 116.67 3dsb h LYS 39 Ca 0.09 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 3dsb h LYS 39 Cb 0.72 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 3dsb h LYS 39 CO 0.06 0.33 -0.35 0.93 -3.45 0.00 0.00 179.45 176.97 3dsb h GLU 40 N -0.21 0.38 0.00 1.90 5.08 -0.63 -2.87 114.58 118.24 3dsb h GLU 40 Ca 0.01 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3dsb h GLU 40 Cb 0.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3dsb h GLU 40 CO 0.00 0.69 -1.34 0.25 -1.00 0.00 0.00 179.01 177.61 3dsb n THR 41 N -4.06 0.00 -0.51 1.13 -2.24 -0.07 -4.63 114.28 103.90 3dsb n THR 41 Ca -0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3dsb n THR 41 Cb 0.46 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3dsb n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dsb n GLU 42 N -1.78 0.52 -2.80 -0.78 1.02 -0.88 -5.01 120.64 110.92 3dsb n GLU 42 Ca -0.01 -0.63 -0.21 0.00 -0.02 0.00 0.00 57.16 56.29 3dsb n GLU 42 Cb 0.28 -0.74 0.01 0.00 -0.02 0.00 0.00 31.44 30.97 3dsb n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dsb n GLY 43 N -0.13 -0.51 3.82 0.62 0.00 -0.92 -4.98 105.19 103.10 3dsb n GLY 43 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3dsb n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsb s LYS 44 N -5.46 3.05 -0.52 1.61 1.02 -0.45 -4.93 119.74 114.06 3dsb s LYS 44 Ca 0.18 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.56 3dsb s LYS 44 Cb -0.09 -2.82 0.13 0.00 -0.52 0.00 0.00 37.83 34.54 3dsb s LYS 44 CO 0.23 0.57 0.28 -2.00 -0.92 0.00 0.00 175.35 173.51 3dsb s GLU 45 N -2.47 2.09 0.48 1.68 2.12 -1.26 -2.38 118.70 118.95 3dsb s GLU 45 Ca 0.31 -2.44 -0.23 0.00 0.36 0.00 0.00 54.97 52.97 3dsb s GLU 45 Cb -0.12 -3.45 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 3dsb s GLU 45 CO 0.24 -1.10 1.20 -0.51 -0.54 0.00 0.00 175.26 174.54 3dsb s LEU 46 N 0.03 3.98 0.00 2.70 1.43 -1.26 -5.11 118.68 120.44 3dsb s LEU 46 Ca 0.16 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 3dsb s LEU 46 Cb -0.23 -4.26 0.17 0.00 0.03 0.00 0.00 46.19 41.90 3dsb s LEU 46 CO -0.02 -1.04 0.57 -0.67 0.23 0.00 0.00 176.35 175.42 3dsb n ASP 47 N -0.60 -1.70 0.00 2.29 -0.08 -1.26 -4.99 116.55 110.21 3dsb n ASP 47 Ca 0.08 -0.83 0.00 0.00 -1.51 0.00 0.00 54.79 52.53 3dsb n ASP 47 Cb 0.48 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.40 3dsb n ASP 47 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3dsb n ASP 49 N -4.03 0.00 -0.10 1.67 2.03 -1.26 -1.08 116.55 113.78 3dsb n ASP 49 Ca 0.08 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.29 3dsb n ASP 49 Cb 0.31 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.68 3dsb n ASP 49 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3dsb h VAL 50 N 0.00 1.24 -0.47 5.18 2.07 -2.00 -2.49 116.25 119.77 3dsb h VAL 50 Ca 0.00 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3dsb h VAL 50 Cb 0.00 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3dsb h VAL 50 CO 0.00 0.27 0.21 0.25 0.02 0.00 0.00 177.57 178.32 3dsb h LEU 51 N 0.33 0.64 -0.60 2.57 5.85 -1.49 0.14 115.31 122.75 3dsb h LEU 51 Ca 0.09 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3dsb h LEU 51 Cb 0.35 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3dsb h LEU 51 CO 0.01 0.61 0.35 0.74 -0.34 0.00 0.00 178.44 179.81 3dsb h THR 52 N 0.62 1.04 -0.66 1.05 2.02 -1.79 0.84 112.91 116.03 3dsb h THR 52 Ca 0.16 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3dsb h THR 52 Cb 0.16 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3dsb h THR 52 CO -0.02 0.13 0.29 0.11 0.37 0.00 0.00 175.52 176.40 3dsb h LYS 53 N 0.69 0.97 -0.55 6.66 1.57 -1.11 -1.07 116.57 123.73 3dsb h LYS 53 Ca 0.25 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3dsb h LYS 53 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3dsb h LYS 53 CO -0.12 0.79 0.06 0.78 -0.57 0.00 0.00 179.45 180.40 3dsb h GLY 54 N 0.93 1.00 0.88 3.86 0.00 -0.23 -0.28 103.07 109.23 3dsb h GLY 54 Ca 0.22 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3dsb h GLY 54 CO -0.02 0.64 -0.03 -2.08 0.00 0.00 0.00 176.54 175.05 3dsb h VAL 55 N 0.82 1.27 -0.54 4.60 2.07 -0.73 -2.62 116.25 121.11 3dsb h VAL 55 Ca 0.16 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.73 3dsb h VAL 55 Cb 0.45 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 3dsb h VAL 55 CO 0.02 0.32 0.27 0.50 0.02 0.00 0.00 177.57 178.70 3dsb h LYS 56 N 0.31 0.50 -0.86 1.57 3.64 -1.08 0.51 116.57 121.15 3dsb h LYS 56 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3dsb h LYS 56 Cb 0.48 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3dsb h LYS 56 CO 0.02 0.33 0.55 0.00 -2.27 0.00 0.00 179.45 178.08 3dsb h ALA 57 N 1.30 1.10 -0.35 5.00 0.00 -0.99 -0.72 119.26 124.60 3dsb h ALA 57 Ca 0.24 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3dsb h ALA 57 Cb 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dsb h ALA 57 CO -0.18 0.53 -0.16 1.25 0.00 0.00 0.00 179.25 180.69 3dsb h LEU 58 N 1.18 0.74 -1.77 0.00 5.85 -1.02 -2.73 115.31 117.56 3dsb h LEU 58 Ca 0.31 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3dsb h LEU 58 Cb -0.10 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3dsb h LEU 58 CO -0.06 0.98 0.28 -0.07 -0.34 0.00 0.00 178.44 179.22 3dsb h LEU 59 N 0.51 0.24 0.00 2.25 3.38 -0.29 -2.06 115.31 119.34 3dsb h LEU 59 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dsb h LEU 59 Cb 0.69 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3dsb h LEU 59 CO 0.05 0.16 -0.23 0.18 0.09 0.00 0.00 178.44 178.68 3dsb n LEU 60 N -4.47 0.55 -3.51 1.67 4.77 -0.33 -4.68 117.00 110.99 3dsb n LEU 60 Ca 0.06 0.39 -0.29 0.00 -0.03 0.00 0.00 56.01 56.13 3dsb n LEU 60 Cb 0.29 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.92 3dsb n LEU 60 CO 0.35 -0.06 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.40 3dsb s ASP 61 N -3.87 3.32 0.67 -1.43 2.15 -0.78 -4.98 116.67 111.75 3dsb s ASP 61 Ca 0.10 -1.62 0.45 0.00 0.43 0.00 0.00 52.55 51.91 3dsb s ASP 61 Cb 0.15 -0.37 2.43 0.00 -0.30 0.00 0.00 42.92 44.84 3dsb s ASP 61 CO 0.63 -0.39 2.37 1.05 -0.17 0.00 0.00 175.17 178.66 3dsb h GLU 62 N 7.89 0.00 0.00 4.34 9.09 -1.78 -0.40 114.58 133.73 3dsb h GLU 62 Ca -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.30 3dsb h GLU 62 Cb 1.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.09 3dsb h GLU 62 CO 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 179.01 179.40 3dsb h ARG 63 N 0.00 0.00 0.00 1.06 3.08 -1.93 -3.01 114.38 113.57 3dsb h ARG 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dsb h ARG 63 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3dsb h ARG 63 CO -0.00 0.03 0.00 1.63 -1.07 0.00 0.00 179.97 180.56 3dsb n LYS 64 N -3.12 0.21 0.00 0.04 5.02 -0.16 -4.87 118.16 115.28 3dsb n LYS 64 Ca 0.01 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3dsb n LYS 64 Cb 0.38 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3dsb n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dsb n GLY 65 N 1.34 0.96 3.01 0.72 0.00 -1.14 -4.55 105.19 105.53 3dsb n GLY 65 Ca 0.06 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 3dsb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsb s LYS 66 N -1.15 0.15 -0.01 1.61 -0.14 -0.32 -4.44 119.74 115.45 3dsb s LYS 66 Ca 0.00 0.21 -0.12 0.00 -1.36 0.00 0.00 55.97 54.70 3dsb s LYS 66 Cb 0.00 0.05 -0.05 0.00 -1.68 0.00 0.00 37.83 36.15 3dsb s LYS 66 CO 0.00 -0.04 0.35 0.71 -0.76 0.00 0.00 175.35 175.61 3dsb s TYR 67 N 0.20 3.67 0.07 3.18 2.02 -1.26 -1.69 117.35 123.54 3dsb s TYR 67 Ca -0.01 0.85 0.10 0.00 -0.37 0.00 0.00 57.07 57.64 3dsb s TYR 67 Cb -0.02 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3dsb s TYR 67 CO -0.01 0.64 -0.26 -1.01 -1.57 0.00 0.00 175.55 173.34 3dsb s HIS 68 N -1.14 2.33 0.08 2.71 3.76 -0.17 -1.19 115.29 121.66 3dsb s HIS 68 Ca 0.24 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.83 3dsb s HIS 68 Cb -0.15 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.15 3dsb s HIS 68 CO 0.13 0.19 -0.21 0.14 -0.85 0.00 0.00 174.74 174.14 3dsb s VAL 69 N -0.88 1.70 -0.24 -0.90 -7.23 -0.01 -0.87 120.40 111.97 3dsb s VAL 69 Ca 0.12 -1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 58.78 3dsb s VAL 69 Cb -0.10 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 3dsb s VAL 69 CO 0.03 0.07 0.27 -0.47 -0.31 0.00 0.00 175.10 174.69 3dsb s TYR 70 N -0.99 3.31 0.09 2.82 5.04 -0.49 -1.49 117.35 125.64 3dsb s TYR 70 Ca 0.07 0.36 0.09 0.00 -2.44 0.00 0.00 57.07 55.15 3dsb s TYR 70 Cb -0.09 -2.42 -0.03 0.00 0.35 0.00 0.00 41.96 39.76 3dsb s TYR 70 CO 0.03 -0.04 -0.24 0.95 -1.34 0.00 0.00 175.55 174.91 3dsb s THR 71 N 1.42 1.99 -0.19 4.34 -4.23 0.07 -1.16 115.64 117.89 3dsb s THR 71 Ca 0.12 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3dsb s THR 71 Cb -0.15 -1.76 0.05 0.00 1.34 0.00 0.00 72.50 71.99 3dsb s THR 71 CO 0.07 0.12 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.57 3dsb s VAL 72 N -1.00 0.95 -1.54 2.29 1.01 0.08 -2.16 120.40 120.04 3dsb s VAL 72 Ca 0.10 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3dsb s VAL 72 Cb -0.10 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.09 3dsb s VAL 72 CO 0.04 -0.04 0.59 0.49 0.00 0.00 0.00 175.10 176.19 3dsb n PHE 73 N 4.91 -1.73 -0.08 5.22 3.01 0.43 -1.37 117.46 127.86 3dsb n PHE 73 Ca -0.11 0.78 0.00 0.00 1.01 0.00 0.00 57.45 59.13 3dsb n PHE 73 Cb 0.47 -3.43 0.00 0.00 -0.01 0.00 0.00 39.48 36.51 3dsb n PHE 73 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3dsb n ASP 74 N -2.85 0.00 -4.68 4.37 8.00 -1.26 -5.00 116.55 115.14 3dsb n ASP 74 Ca -0.14 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 3dsb n ASP 74 Cb 0.60 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 3dsb n ASP 74 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dsb s LYS 75 N -0.01 4.36 -0.13 -1.24 2.20 -0.47 -4.99 119.74 119.45 3dsb s LYS 75 Ca 0.00 1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 56.55 3dsb s LYS 75 Cb 0.00 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3dsb s LYS 75 CO 0.00 -0.35 1.26 0.08 -0.36 0.00 0.00 175.35 175.98 3dsb s VAL 76 N 2.19 4.24 0.00 4.02 1.01 -1.26 -0.75 120.40 129.85 3dsb s VAL 76 Ca 0.44 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.94 3dsb s VAL 76 Cb -0.17 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3dsb s VAL 76 CO 0.14 -0.10 0.23 1.33 0.00 0.00 0.00 175.10 176.71 3dsb n VAL 77 N 5.16 0.00 -3.46 2.92 0.24 -0.31 -5.00 118.33 117.89 3dsb n VAL 77 Ca 0.13 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 3dsb n VAL 77 Cb 0.45 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.87 3dsb n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dsb s ALA 78 N -0.40 -1.65 0.03 2.33 0.00 -1.20 -0.69 121.76 120.19 3dsb s ALA 78 Ca 0.00 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 3dsb s ALA 78 Cb 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3dsb s ALA 78 CO 0.00 -0.76 0.10 1.14 0.00 0.00 0.00 175.76 176.24 3dsb s GLN 79 N -3.59 0.57 0.24 0.00 1.03 -0.13 -1.40 119.66 116.38 3dsb s GLN 79 Ca 0.02 -0.72 0.06 0.00 0.04 0.00 0.00 55.36 54.76 3dsb s GLN 79 Cb -0.01 0.23 -0.02 0.00 0.03 0.00 0.00 33.01 33.23 3dsb s GLN 79 CO -0.11 -0.14 0.20 1.51 -2.54 0.00 0.00 175.29 174.21 3dsb n ILE 80 N 0.85 0.00 -3.65 3.63 3.06 -0.05 -1.45 119.36 121.75 3dsb n ILE 80 Ca -0.19 -1.75 -0.02 0.00 -2.50 0.00 0.00 62.75 58.29 3dsb n ILE 80 Cb 0.58 0.87 -0.03 0.00 0.54 0.00 0.00 39.64 41.60 3dsb n ILE 80 CO 0.00 0.00 0.00 -0.72 -2.50 0.00 0.00 176.55 173.33 3dsb s TYR 82 N -2.96 -0.00 0.52 9.51 -0.85 -0.68 -1.00 117.35 121.88 3dsb s TYR 82 Ca 0.28 0.01 0.02 0.00 -0.52 0.00 0.00 57.07 56.86 3dsb s TYR 82 Cb 0.01 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.85 3dsb s TYR 82 CO 0.20 -0.00 0.09 0.95 -1.52 0.00 0.00 175.55 175.26 3dsb s THR 83 N -1.45 1.27 0.11 -3.49 -4.23 -0.25 -1.17 115.64 106.43 3dsb s THR 83 Ca 0.11 -1.89 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 3dsb s THR 83 Cb -0.01 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 3dsb s THR 83 CO -0.06 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.53 3dsb s TYR 84 N -2.86 2.53 -0.20 3.99 2.02 -1.26 -0.59 117.35 120.98 3dsb s TYR 84 Ca 0.12 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3dsb s TYR 84 Cb 0.01 -1.35 0.05 0.00 -0.40 0.00 0.00 41.96 40.26 3dsb s TYR 84 CO 0.07 0.37 -0.09 -2.00 -1.57 0.00 0.00 175.55 172.33 3dsb s GLU 85 N -2.07 1.92 0.11 -0.62 2.12 -0.03 -4.94 118.70 115.20 3dsb s GLU 85 Ca 0.17 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 3dsb s GLU 85 Cb -0.11 -2.43 -0.07 0.00 0.26 0.00 0.00 34.13 31.78 3dsb s GLU 85 CO 0.09 -0.46 1.24 -0.46 -0.54 0.00 0.00 175.26 175.13 3dsb s TRP 86 N 1.40 3.39 -0.35 5.30 -0.11 -1.26 -0.72 118.94 126.60 3dsb s TRP 86 Ca -0.02 1.27 -0.10 0.00 1.22 0.00 0.00 56.10 58.47 3dsb s TRP 86 Cb -0.17 -3.48 0.02 0.00 -1.50 0.00 0.00 33.47 28.35 3dsb s TRP 86 CO -0.08 -1.47 0.18 0.45 -4.62 0.00 0.00 176.95 171.41 3dsb s SER 87 N 0.75 5.63 0.20 5.86 0.15 0.89 -4.94 113.70 122.24 3dsb s SER 87 Ca 0.58 -0.88 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 3dsb s SER 87 Cb -0.32 -2.00 0.16 0.00 -1.71 0.00 0.00 66.02 62.15 3dsb s SER 87 CO 0.32 -0.33 1.57 -2.24 1.20 0.00 0.00 173.24 173.76 3dsb h ASP 88 N 8.39 0.71 -0.39 5.45 3.04 -1.95 0.62 116.42 132.29 3dsb h ASP 88 Ca -0.27 -0.31 -0.01 0.00 -3.24 0.00 0.00 57.03 53.20 3dsb h ASP 88 Cb 1.11 -0.20 -0.02 0.00 -1.04 0.00 0.00 39.33 39.18 3dsb h ASP 88 CO 0.65 1.01 0.22 -0.50 -2.04 0.00 0.00 179.24 178.58 3dsb h TRP 89 N 0.56 0.54 -0.01 4.15 4.06 -1.95 -2.92 115.95 120.38 3dsb h TRP 89 Ca 0.05 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3dsb h TRP 89 Cb 0.90 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 3dsb h TRP 89 CO 0.04 0.39 -0.41 0.54 -3.56 0.00 0.00 178.44 175.43 3dsb n ARG 90 N -4.43 1.58 -3.76 0.49 1.74 -1.18 -5.00 116.66 106.10 3dsb n ARG 90 Ca 0.03 -0.75 -0.23 0.00 -0.77 0.00 0.00 57.85 56.14 3dsb n ARG 90 Cb 0.10 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 3dsb n ARG 90 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3dsb n ASN 91 N -0.25 -1.08 -3.41 0.55 5.15 0.17 -4.96 115.26 111.43 3dsb n ASN 91 Ca 0.07 -0.88 -0.03 0.00 -0.60 0.00 0.00 54.58 53.14 3dsb n ASN 91 Cb 0.35 -3.78 0.01 0.00 -0.53 0.00 0.00 39.78 35.84 3dsb n ASN 91 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3dsb s GLY 92 N -4.33 0.06 -0.08 8.20 0.00 -0.96 -4.96 107.32 105.25 3dsb s GLY 92 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.44 3dsb s GLY 92 CO 0.83 2.02 0.05 -1.31 0.00 0.00 0.00 173.10 174.69 3dsb s ASN 93 N -3.33 5.59 0.09 1.64 0.02 -0.37 -0.08 114.94 118.50 3dsb s ASN 93 Ca 0.20 0.22 -0.20 0.00 -1.02 0.00 0.00 52.86 52.06 3dsb s ASN 93 Cb -0.02 -1.64 -0.07 0.00 0.02 0.00 0.00 41.25 39.54 3dsb s ASN 93 CO 0.05 0.37 0.61 -0.36 0.02 0.00 0.00 177.10 177.78 3dsb s PHE 94 N -0.98 3.83 -0.19 2.20 0.08 0.11 -0.12 117.98 122.91 3dsb s PHE 94 Ca 0.16 1.34 -0.14 0.00 0.12 0.00 0.00 56.93 58.41 3dsb s PHE 94 Cb -0.12 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 3dsb s PHE 94 CO 0.05 0.58 0.30 -0.51 -0.10 0.00 0.00 175.22 175.53 3dsb s LEU 95 N -1.11 4.20 -0.28 -0.37 1.02 -0.56 -0.85 118.68 120.72 3dsb s LEU 95 Ca 0.30 0.44 -0.05 0.00 0.02 0.00 0.00 54.13 54.84 3dsb s LEU 95 Cb -0.20 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 43.66 3dsb s LEU 95 CO 0.20 0.05 0.04 0.26 0.02 0.00 0.00 176.35 176.92 3dsb s TRP 96 N 0.79 3.13 -0.12 0.29 0.52 0.24 -0.21 118.94 123.59 3dsb s TRP 96 Ca 0.16 -1.18 -0.30 0.00 0.02 0.00 0.00 56.10 54.80 3dsb s TRP 96 Cb -0.13 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.98 3dsb s TRP 96 CO 0.05 -0.63 1.11 0.42 0.02 0.00 0.00 176.95 177.92 3dsb s ILE 97 N 1.44 4.53 -0.06 2.03 1.01 -0.22 -1.08 121.20 128.85 3dsb s ILE 97 Ca 0.02 1.83 0.15 0.00 0.00 0.00 0.00 60.65 62.65 3dsb s ILE 97 Cb -0.17 -4.18 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 3dsb s ILE 97 CO 0.00 -0.05 0.27 0.00 0.00 0.00 0.00 174.94 175.16 3dsb n GLN 98 N 5.53 0.78 -3.56 2.79 1.13 -1.26 -4.57 117.38 118.23 3dsb n GLN 98 Ca 0.11 -0.11 -0.14 0.00 -1.94 0.00 0.00 57.00 54.91 3dsb n GLN 98 Cb 0.47 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 3dsb n GLN 98 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3dsb s SER 99 N -4.14 -0.55 -0.03 1.08 1.04 -1.26 -5.07 113.70 104.78 3dsb s SER 99 Ca -0.06 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.03 3dsb s SER 99 Cb 0.09 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.78 3dsb s SER 99 CO 0.66 -0.45 0.07 -0.69 0.98 0.00 0.00 173.24 173.80 3dsb s VAL 100 N -0.93 -0.02 -0.12 5.02 1.01 -1.26 -4.33 120.40 119.76 3dsb s VAL 100 Ca -0.06 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 3dsb s VAL 100 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.29 3dsb s VAL 100 CO 0.05 0.03 0.33 -0.47 0.00 0.00 0.00 175.10 175.04 3dsb s TYR 101 N 0.41 -0.36 -0.11 5.22 5.04 -0.53 -5.00 117.35 122.02 3dsb s TYR 101 Ca -0.03 0.88 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 3dsb s TYR 101 Cb -0.05 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.40 3dsb s TYR 101 CO -0.01 -0.17 -0.16 0.08 -1.34 0.00 0.00 175.55 173.94 3dsb s VAL 102 N 0.18 1.58 0.21 3.14 1.01 -1.26 -0.96 120.40 124.29 3dsb s VAL 102 Ca -0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 60.97 3dsb s VAL 102 Cb -0.02 -1.43 -0.15 0.00 0.00 0.00 0.00 36.38 34.78 3dsb s VAL 102 CO 0.00 0.46 1.25 -0.67 0.00 0.00 0.00 175.10 176.14 3dsb n ASP 103 N 4.14 1.89 0.11 3.32 -0.08 0.13 -4.85 116.55 121.22 3dsb n ASP 103 Ca -0.19 1.15 0.16 0.00 -1.51 0.00 0.00 54.79 54.40 3dsb n ASP 103 Cb 0.51 -1.31 0.70 0.00 2.34 0.00 0.00 41.12 43.37 3dsb n ASP 103 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dsb h LYS 104 N 3.58 0.00 0.00 -0.67 1.57 -1.99 -0.12 116.57 118.94 3dsb h LYS 104 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3dsb h LYS 104 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3dsb h LYS 104 CO 0.71 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.98 3dsb n GLU 105 N -4.30 0.52 -0.07 3.15 1.02 -1.26 -3.33 120.64 116.37 3dsb n GLU 105 Ca 0.05 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 3dsb n GLU 105 Cb 0.42 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.39 3dsb n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3dsb n TYR 106 N -1.19 0.00 -2.02 -0.32 4.01 -0.06 -5.07 117.16 112.51 3dsb n TYR 106 Ca 0.15 -0.57 -0.29 0.00 -0.16 0.00 0.00 57.90 57.03 3dsb n TYR 106 Cb 0.16 -0.08 0.05 0.00 -0.31 0.00 0.00 39.34 39.16 3dsb n TYR 106 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3dsb s ARG 107 N -1.43 2.81 -1.28 -0.72 0.52 -1.20 -4.15 118.95 113.49 3dsb s ARG 107 Ca 0.11 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.63 3dsb s ARG 107 Cb 0.09 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3dsb s ARG 107 CO 0.01 -0.99 0.00 0.54 0.02 0.00 0.00 175.30 174.88 3dsb n ARG 108 N -2.92 -1.09 0.00 3.54 1.74 -1.26 -4.88 116.66 111.79 3dsb n ARG 108 Ca 0.06 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 3dsb n ARG 108 Cb 0.58 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 3dsb n ARG 108 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dsb n LYS 109 N -2.41 2.05 -0.66 5.56 4.76 -1.26 -5.01 118.16 121.18 3dsb n LYS 109 Ca -0.16 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 3dsb n LYS 109 Cb 0.59 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 3dsb n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dsb n GLY 110 N -0.35 0.71 0.31 0.72 0.00 -1.26 -4.96 105.19 100.36 3dsb n GLY 110 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3dsb n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dsb h ILE 111 N 0.00 1.26 -0.29 -0.61 2.04 -1.95 -0.40 117.51 117.55 3dsb h ILE 111 Ca 0.00 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3dsb h ILE 111 Cb 0.00 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 3dsb h ILE 111 CO 0.00 0.34 -0.01 0.15 0.00 0.00 0.00 178.15 178.63 3dsb h PHE 112 N 1.03 -0.03 -0.17 1.37 3.57 -1.94 -0.88 116.94 119.88 3dsb h PHE 112 Ca 0.23 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 3dsb h PHE 112 Cb 0.28 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3dsb h PHE 112 CO 0.02 -0.06 -0.43 -0.91 -2.23 0.00 0.00 178.31 174.70 3dsb h ASN 113 N 0.07 0.43 -0.62 0.41 2.35 -1.92 -0.69 115.58 115.62 3dsb h ASN 113 Ca 0.14 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3dsb h ASN 113 Cb 0.19 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3dsb h ASN 113 CO -0.24 0.81 0.35 1.88 -1.65 0.00 0.00 177.43 178.58 3dsb h TYR 114 N 0.33 0.64 -0.18 1.19 0.05 -0.48 0.10 116.97 118.64 3dsb h TYR 114 Ca 0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 3dsb h TYR 114 Cb 0.90 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 3dsb h TYR 114 CO 0.03 0.32 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.36 3dsb h LEU 115 N 0.66 0.34 -0.61 3.88 3.38 -0.88 -0.78 115.31 121.30 3dsb h LEU 115 Ca 0.27 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3dsb h LEU 115 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dsb h LEU 115 CO -0.16 0.61 0.26 0.15 0.09 0.00 0.00 178.44 179.39 3dsb h PHE 116 N 0.05 0.91 -0.00 1.13 3.57 -0.92 -2.14 116.94 119.54 3dsb h PHE 116 Ca 0.05 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 3dsb h PHE 116 Cb 0.46 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3dsb h PHE 116 CO 0.05 0.71 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.45 3dsb h ASN 117 N 0.84 0.01 -0.56 0.41 2.35 -0.80 -0.83 115.58 117.01 3dsb h ASN 117 Ca 0.21 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dsb h ASN 117 Cb 0.17 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3dsb h ASN 117 CO -0.02 0.49 0.35 0.22 -1.65 0.00 0.00 177.43 176.82 3dsb h TYR 118 N 0.01 0.72 -0.39 1.19 3.20 -0.61 -0.03 116.97 121.05 3dsb h TYR 118 Ca -0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 3dsb h TYR 118 Cb 0.85 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3dsb h TYR 118 CO 0.00 0.48 -0.38 0.82 -1.64 0.00 0.00 178.16 177.45 3dsb h ILE 119 N 0.75 1.27 -0.87 1.81 1.08 -1.07 -1.90 117.51 118.57 3dsb h ILE 119 Ca 0.20 -1.55 0.07 0.00 -0.39 0.00 0.00 64.86 63.19 3dsb h ILE 119 Cb -0.04 1.38 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 3dsb h ILE 119 CO -0.04 0.52 0.54 0.11 -0.69 0.00 0.00 178.15 178.59 3dsb h LYS 120 N 0.76 0.94 -0.62 2.37 1.57 -0.91 -0.98 116.57 119.70 3dsb h LYS 120 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3dsb h LYS 120 Cb 0.97 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3dsb h LYS 120 CO 0.09 0.62 0.20 -0.97 -0.57 0.00 0.00 179.45 178.83 3dsb h ASN 121 N 0.97 0.90 -0.71 0.86 -0.73 -0.73 -0.32 115.58 115.82 3dsb h ASN 121 Ca 0.39 -0.20 0.09 0.00 1.87 0.00 0.00 56.30 58.44 3dsb h ASN 121 Cb 0.20 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 38.49 3dsb h ASN 121 CO -0.19 0.86 0.36 0.40 -0.37 0.00 0.00 177.43 178.50 3dsb h ILE 122 N 0.89 0.87 -0.50 2.57 2.04 -0.67 -0.83 117.51 121.88 3dsb h ILE 122 Ca 0.20 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 3dsb h ILE 122 Cb 0.28 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3dsb h ILE 122 CO -0.01 0.11 -0.15 0.00 0.00 0.00 0.00 178.15 178.10 3dsb h ASP 124 N 0.84 0.00 0.91 0.00 3.32 -0.68 -3.10 116.42 117.71 3dsb h ASP 124 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dsb h ASP 124 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3dsb h ASP 124 CO 0.06 0.60 -0.48 0.29 -1.72 0.00 0.00 179.24 177.98 3dsb n LYS 125 N -3.66 0.23 -3.63 3.56 4.76 -0.35 -4.70 118.16 114.37 3dsb n LYS 125 Ca -0.01 0.09 -0.40 0.00 -2.87 0.00 0.00 58.31 55.12 3dsb n LYS 125 Cb 0.63 -1.67 -0.11 0.00 -1.84 0.00 0.00 35.03 32.04 3dsb n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3dsb s ASP 126 N -4.03 5.62 0.15 4.39 -1.08 -0.99 -4.94 116.67 115.78 3dsb s ASP 126 Ca 0.08 -1.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.10 3dsb s ASP 126 Cb 0.14 -1.98 0.71 0.00 -1.46 0.00 0.00 42.92 40.34 3dsb s ASP 126 CO 0.69 -0.41 1.48 -1.84 0.52 0.00 0.00 175.17 175.61 3dsb n GLU 127 N 4.94 0.09 -0.07 4.34 0.28 -1.26 -1.40 120.64 127.56 3dsb n GLU 127 Ca -0.11 0.44 0.12 0.00 -0.16 0.00 0.00 57.16 57.44 3dsb n GLU 127 Cb 0.45 -1.71 0.33 0.00 1.43 0.00 0.00 31.44 31.94 3dsb n GLU 127 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3dsb n ASN 128 N -1.88 2.23 -4.63 -1.84 3.02 -1.26 -4.74 115.26 106.15 3dsb n ASN 128 Ca 0.01 -1.77 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 3dsb n ASN 128 Cb 0.12 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 3dsb n ASN 128 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dsb s ILE 129 N -1.82 5.30 -1.91 2.41 1.01 -0.49 -1.24 121.20 124.47 3dsb s ILE 129 Ca 0.34 0.30 0.22 0.00 0.00 0.00 0.00 60.65 61.50 3dsb s ILE 129 Cb 0.20 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 3dsb s ILE 129 CO 0.30 0.28 1.04 1.33 0.00 0.00 0.00 174.94 177.89 3dsb n VAL 130 N 4.62 0.00 0.00 2.92 0.24 0.83 -4.91 118.33 122.03 3dsb n VAL 130 Ca -0.13 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3dsb n VAL 130 Cb 0.52 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3dsb n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dsb n GLY 131 N 1.39 -0.80 0.00 7.63 0.00 -1.25 -4.98 105.19 107.17 3dsb n GLY 131 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3dsb n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsb n ARG 133 N 0.00 0.00 -3.69 1.61 1.74 0.71 -1.50 116.66 115.53 3dsb n ARG 133 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3dsb n ARG 133 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3dsb n ARG 133 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3dsb s LEU 134 N 0.00 0.30 0.09 0.55 0.05 -1.26 -1.05 118.68 117.36 3dsb s LEU 134 Ca 0.00 -0.40 0.10 0.00 0.05 0.00 0.00 54.13 53.87 3dsb s LEU 134 Cb 0.00 1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 46.03 3dsb s LEU 134 CO 0.00 -0.93 -0.26 -0.72 -0.55 0.00 0.00 176.35 173.90 3dsb s TYR 135 N -3.84 2.20 -0.01 3.48 -0.85 -1.26 -5.04 117.35 112.04 3dsb s TYR 135 Ca 0.06 -0.39 -0.06 0.00 -0.52 0.00 0.00 57.07 56.16 3dsb s TYR 135 Cb 0.01 -1.25 0.00 0.00 0.38 0.00 0.00 41.96 41.10 3dsb s TYR 135 CO -0.08 0.23 0.11 0.54 -1.52 0.00 0.00 175.55 174.84 3dsb s VAL 136 N -0.97 0.07 0.37 -3.49 0.11 -1.26 -5.05 120.40 110.18 3dsb s VAL 136 Ca 0.12 -0.58 -0.27 0.00 -2.93 0.00 0.00 61.98 58.32 3dsb s VAL 136 Cb -0.10 -0.36 -0.12 0.00 -1.53 0.00 0.00 36.38 34.27 3dsb s VAL 136 CO 0.04 -0.32 1.18 -0.62 -3.33 0.00 0.00 175.10 172.05 3dsb n GLU 137 N 1.79 1.78 0.26 1.54 1.02 -1.26 -4.86 120.64 120.91 3dsb n GLU 137 Ca -0.21 0.63 0.12 0.00 -0.02 0.00 0.00 57.16 57.68 3dsb n GLU 137 Cb 0.56 -2.20 0.70 0.00 -0.02 0.00 0.00 31.44 30.48 3dsb n GLU 137 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3dsb h LYS 138 N 2.13 0.00 0.00 3.49 1.57 -2.04 -2.46 116.57 119.26 3dsb h LYS 138 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3dsb h LYS 138 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3dsb h LYS 138 CO 0.60 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 180.00 3dsb n GLU 139 N -3.74 0.09 -2.36 3.15 4.71 -1.26 -4.65 120.64 116.57 3dsb n GLU 139 Ca -0.02 0.21 -0.41 0.00 -0.01 0.00 0.00 57.16 56.93 3dsb n GLU 139 Cb 0.23 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 29.01 3dsb n GLU 139 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3dsb s ASN 140 N -3.52 5.91 0.54 1.62 3.84 -0.93 -4.83 114.94 117.57 3dsb s ASN 140 Ca 0.09 0.00 0.35 0.00 0.21 0.00 0.00 52.86 53.51 3dsb s ASN 140 Cb 0.13 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.80 3dsb s ASN 140 CO 0.43 -1.94 2.02 0.16 -2.79 0.00 0.00 177.10 174.98 3dsb h ILE 141 N 6.37 0.00 0.00 -5.21 3.07 -1.89 -3.15 117.51 116.70 3dsb h ILE 141 Ca -0.27 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.76 3dsb h ILE 141 Cb 1.09 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3dsb h ILE 141 CO 1.23 0.00 -0.79 0.59 -1.05 0.00 0.00 178.15 178.13 3dsb n ASN 142 N -2.99 0.78 -0.05 2.16 5.03 -1.26 -4.58 115.26 114.35 3dsb n ASN 142 Ca 0.00 -0.86 -0.10 0.00 0.87 0.00 0.00 54.58 54.49 3dsb n ASN 142 Cb 0.25 1.02 -0.03 0.00 -1.02 0.00 0.00 39.78 40.00 3dsb n ASN 142 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dsb h ALA 143 N 2.29 0.26 -0.21 5.41 0.00 -1.95 -2.42 119.26 122.64 3dsb h ALA 143 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3dsb h ALA 143 Cb 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3dsb h ALA 143 CO 0.00 -0.26 -0.06 -0.22 0.00 0.00 0.00 179.25 178.71 3dsb h LYS 144 N 0.28 -0.00 -0.49 0.00 3.64 -1.81 0.88 116.57 119.07 3dsb h LYS 144 Ca 0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3dsb h LYS 144 Cb -0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3dsb h LYS 144 CO -0.02 -0.00 0.07 0.00 -2.27 0.00 0.00 179.45 177.23 3dsb h ALA 145 N 1.21 0.65 -0.03 5.00 0.00 -1.85 0.31 119.26 124.55 3dsb h ALA 145 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dsb h ALA 145 Cb 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dsb h ALA 145 CO -0.22 0.39 0.01 1.15 0.00 0.00 0.00 179.25 180.58 3dsb h THR 146 N 0.69 1.00 -0.19 0.00 2.02 -0.96 -2.03 112.91 113.43 3dsb h THR 146 Ca 0.15 -0.01 -0.18 0.00 0.77 0.00 0.00 66.41 67.14 3dsb h THR 146 Cb 0.41 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3dsb h THR 146 CO 0.01 0.00 -0.61 1.88 0.37 0.00 0.00 175.52 177.18 3dsb h TYR 147 N 0.03 0.84 -0.83 3.16 0.05 -0.74 -3.06 116.97 116.41 3dsb h TYR 147 Ca 0.01 -0.32 0.07 0.00 0.05 0.00 0.00 58.73 58.54 3dsb h TYR 147 Cb 0.00 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.54 3dsb h TYR 147 CO -0.08 1.09 0.54 0.93 -1.05 0.00 0.00 178.16 179.59 3dsb h GLU 148 N 0.49 0.87 0.00 4.88 3.07 -0.88 0.51 114.58 123.52 3dsb h GLU 148 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3dsb h GLU 148 Cb 1.18 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3dsb h GLU 148 CO 0.12 0.57 0.00 0.77 -1.40 0.00 0.00 179.01 179.07 3dsb h SER 149 N 0.89 0.00 -0.61 1.42 0.02 -1.27 -1.40 113.55 112.61 3dsb h SER 149 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3dsb h SER 149 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3dsb h SER 149 CO -0.13 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.74 3dsb n LEU 150 N -2.77 4.64 -2.36 5.07 4.77 0.13 -5.12 117.00 121.36 3dsb n LEU 150 Ca 0.00 -2.47 -0.02 0.00 -0.03 0.00 0.00 56.01 53.49 3dsb n LEU 150 Cb 0.21 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3dsb n LEU 150 CO 0.22 0.80 -0.19 0.59 -1.33 0.00 0.00 177.39 177.47 3dsb n ASN 151 N 0.98 -6.07 0.00 -1.43 3.02 -0.53 -5.07 115.26 106.15 3dsb n ASN 151 Ca 0.25 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 3dsb n ASN 151 Cb 0.87 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 3dsb n ASN 151 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dsb n TYR 153 N 0.15 0.00 -2.01 3.10 4.01 -1.26 -5.00 117.16 116.15 3dsb n TYR 153 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 3dsb n TYR 153 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 3dsb n TYR 153 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3dsb s GLU 154 N -2.00 4.27 0.55 -0.72 2.12 -1.26 -5.01 118.70 116.65 3dsb s GLU 154 Ca 0.00 2.30 -0.04 0.00 0.36 0.00 0.00 54.97 57.60 3dsb s GLU 154 Cb 0.00 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.30 3dsb s GLU 154 CO 0.00 -0.41 0.83 0.00 -0.54 0.00 0.00 175.26 175.15 3dsb n ASP 156 N -2.44 7.54 -4.21 0.00 2.03 -1.26 -4.94 116.55 113.26 3dsb n ASP 156 Ca 0.04 -3.83 -0.19 0.00 0.52 0.00 0.00 54.79 51.33 3dsb n ASP 156 Cb 0.58 -1.07 -0.12 0.00 -0.72 0.00 0.00 41.12 39.80 3dsb n ASP 156 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3dsb s TYR 157 N -4.03 1.37 0.00 -0.67 2.02 -1.26 -5.31 117.35 109.47 3dsb s TYR 157 Ca 0.53 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 3dsb s TYR 157 Cb 0.44 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 3dsb s TYR 157 CO -0.39 0.11 0.00 0.09 -1.57 0.00 0.00 175.55 173.79 3dsb n ASN 158 N 0.97 0.00 -3.57 2.29 3.02 -1.26 -5.24 115.26 111.47 3dsb n ASN 158 Ca -0.19 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.28 3dsb n ASN 158 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 3dsb n ASN 158 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3dsb s TYR 160 N 2.60 -0.29 0.04 3.10 2.02 -1.26 -5.28 117.35 118.27 3dsb s TYR 160 Ca 0.00 0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.97 3dsb s TYR 160 Cb 0.00 0.49 0.00 0.00 -0.40 0.00 0.00 41.96 42.05 3dsb s TYR 160 CO 0.00 -0.35 0.19 -1.83 -1.57 0.00 0.00 175.55 172.00 3dsb s GLU 161 N -1.89 0.67 -0.13 -0.62 -1.05 -1.26 -5.14 118.70 109.28 3dsb s GLU 161 Ca 0.03 -0.60 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 3dsb s GLU 161 Cb -0.01 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.93 3dsb s GLU 161 CO -0.03 -0.19 0.02 -0.47 0.95 0.00 0.00 175.26 175.53 3dsb s TYR 162 N -2.45 3.18 -0.73 4.83 5.04 -1.26 -5.05 117.35 120.91 3dsb s TYR 162 Ca -0.06 0.06 -0.27 0.00 -2.44 0.00 0.00 57.07 54.36 3dsb s TYR 162 Cb -0.02 -1.92 0.03 0.00 0.35 0.00 0.00 41.96 40.40 3dsb s TYR 162 CO -0.03 0.27 1.28 -2.00 -1.34 0.00 0.00 175.55 173.72 3dsb s GLU 163 N -0.22 3.21 -0.01 4.97 2.56 -1.26 -4.96 118.70 122.99 3dsb s GLU 163 Ca 0.06 -0.21 -0.30 0.00 0.00 0.00 0.00 54.97 54.52 3dsb s GLU 163 Cb -0.12 -4.17 -0.07 0.00 2.00 0.00 0.00 34.13 31.77 3dsb s GLU 163 CO 0.02 -2.13 1.75 0.08 -0.56 0.00 0.00 175.26 174.42 3dsb s VAL 164 N 5.70 3.36 -0.53 3.70 1.01 -1.26 -4.92 120.40 127.47 3dsb s VAL 164 Ca 0.35 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.60 3dsb s VAL 164 Cb -0.08 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.05 3dsb s VAL 164 CO 0.16 -0.04 0.74 -0.63 0.00 0.00 0.00 175.10 175.32 3dsb s ILE 165 N 4.03 4.70 -2.00 2.22 -1.09 -1.26 -5.34 121.20 122.46 3dsb s ILE 165 Ca 0.78 -0.27 0.26 0.00 -2.23 0.00 0.00 60.65 59.19 3dsb s ILE 165 Cb -0.37 -4.39 0.75 0.00 -1.58 0.00 0.00 42.46 36.86 3dsb s ILE 165 CO 0.33 -0.94 1.92 1.41 -1.23 0.00 0.00 174.94 176.44