#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mpe s GLN 2 N 0.00 4.22 -0.16 0.03 0.74 -1.26 -5.06 119.66 118.17 1mpe s GLN 2 Ca 0.00 0.55 -0.04 0.00 0.05 0.00 0.00 55.36 55.93 1mpe s GLN 2 Cb 0.00 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 1mpe s GLN 2 CO 0.00 -0.18 -0.03 0.71 -0.55 0.00 0.00 175.29 175.24 1mpe s TYR 3 N 1.72 3.02 -0.18 1.67 2.02 -1.26 -5.10 117.35 119.24 1mpe s TYR 3 Ca 0.27 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1mpe s TYR 3 Cb -0.16 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1mpe s TYR 3 CO 0.10 -0.09 0.02 0.15 -1.57 0.00 0.00 175.55 174.16 1mpe s LYS 4 N 0.50 3.78 -0.06 -0.62 1.02 -1.26 -5.09 119.74 118.01 1mpe s LYS 4 Ca -0.03 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1mpe s LYS 4 Cb -0.14 -3.10 0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1mpe s LYS 4 CO 0.03 0.17 0.12 0.08 -0.92 0.00 0.00 175.35 174.83 1mpe s VAL 5 N 0.60 -0.14 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.33 1mpe s VAL 5 Ca 0.01 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 1mpe s VAL 5 Cb -0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1mpe s VAL 5 CO 0.02 0.12 0.36 -0.63 0.00 0.00 0.00 175.10 174.98 1mpe s ILE 6 N 1.77 5.17 -0.21 2.22 1.01 -1.26 -5.06 121.20 124.85 1mpe s ILE 6 Ca -0.02 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 1mpe s ILE 6 Cb -0.12 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1mpe s ILE 6 CO -0.05 0.01 0.03 -0.76 0.00 0.00 0.00 174.94 174.17 1mpe s LEU 7 N 2.04 3.42 -0.38 2.97 1.02 -1.26 -5.05 118.68 121.44 1mpe s LEU 7 Ca 0.13 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.18 1mpe s LEU 7 Cb -0.16 -1.88 0.16 0.00 0.02 0.00 0.00 46.19 44.33 1mpe s LEU 7 CO 0.11 0.07 0.40 0.21 0.02 0.00 0.00 176.35 177.16 1mpe s ASN 8 N 0.98 1.00 -1.15 2.29 3.84 -1.18 -4.76 114.94 115.96 1mpe s ASN 8 Ca 0.03 -1.68 -0.03 0.00 0.21 0.00 0.00 52.86 51.38 1mpe s ASN 8 Cb -0.14 0.59 0.22 0.00 -0.55 0.00 0.00 41.25 41.37 1mpe s ASN 8 CO 0.02 -0.24 2.12 0.61 -2.79 0.00 0.00 177.10 176.82 1mpe n GLY 9 N 4.08 5.66 3.16 1.21 0.00 0.20 -4.77 105.19 114.72 1mpe n GLY 9 Ca 0.13 -2.31 0.03 0.00 0.00 0.00 0.00 46.02 43.87 1mpe n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mpe s LYS 10 N -2.77 0.61 -0.37 1.61 2.20 -1.26 -4.90 119.74 114.86 1mpe s LYS 10 Ca 0.47 0.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.53 1mpe s LYS 10 Cb 0.20 0.22 0.18 0.00 -1.51 0.00 0.00 37.83 36.92 1mpe s LYS 10 CO -0.12 -1.07 0.58 0.99 -0.36 0.00 0.00 175.35 175.37 1mpe s THR 11 N 2.63 -0.92 -0.24 3.43 2.01 -1.26 -5.04 115.64 116.26 1mpe s THR 11 Ca 0.11 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1mpe s THR 11 Cb -0.09 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1mpe s THR 11 CO -0.22 -0.07 0.10 0.18 -0.69 0.00 0.00 174.62 173.93 1mpe n LEU 12 N 4.74 -6.19 -3.15 4.42 4.77 -1.26 -5.07 117.00 115.26 1mpe n LEU 12 Ca 0.09 0.85 0.04 0.00 -0.03 0.00 0.00 56.01 56.96 1mpe n LEU 12 Cb 0.55 -2.65 -0.00 0.00 -2.33 0.00 0.00 43.42 38.99 1mpe n LEU 12 CO -0.01 -2.10 0.13 -0.54 -1.33 0.00 0.00 177.39 173.54 1mpe s LYS 13 N -1.38 0.54 0.26 3.23 1.02 -1.26 -5.03 119.74 117.12 1mpe s LYS 13 Ca 0.04 0.59 0.01 0.00 0.02 0.00 0.00 55.97 56.63 1mpe s LYS 13 Cb -0.01 0.28 0.34 0.00 -0.52 0.00 0.00 37.83 37.92 1mpe s LYS 13 CO 0.54 -0.95 1.69 0.78 -0.92 0.00 0.00 175.35 176.49 1mpe h GLY 14 N 7.97 0.59 -0.77 -3.33 0.00 -2.07 -3.45 103.07 102.02 1mpe h GLY 14 Ca -0.04 -0.50 -0.45 0.00 0.00 0.00 0.00 47.33 46.34 1mpe h GLY 14 CO 0.15 0.46 0.36 -0.54 0.00 0.00 0.00 176.54 176.97 1mpe s GLU 15 N -4.49 0.81 -0.52 4.80 2.02 -1.26 -5.05 118.70 115.01 1mpe s GLU 15 Ca -0.07 -0.12 0.04 0.00 0.02 0.00 0.00 54.97 54.84 1mpe s GLU 15 Cb 0.13 -1.84 0.14 0.00 0.10 0.00 0.00 34.13 32.66 1mpe s GLU 15 CO 0.80 -2.35 0.28 0.99 0.02 0.00 0.00 175.26 175.00 1mpe s THR 16 N -3.59 2.31 0.41 3.63 2.01 -1.26 -5.10 115.64 114.04 1mpe s THR 16 Ca 0.69 -3.22 0.05 0.00 0.31 0.00 0.00 61.69 59.51 1mpe s THR 16 Cb -0.08 -2.60 0.07 0.00 0.01 0.00 0.00 72.50 69.90 1mpe s THR 16 CO 0.52 -0.85 0.56 0.35 -0.69 0.00 0.00 174.62 174.52 1mpe n THR 17 N 3.10 0.00 0.16 -0.82 -2.24 -1.26 -5.01 114.28 108.20 1mpe n THR 17 Ca 0.07 -1.21 0.02 0.00 -2.27 0.00 0.00 64.05 60.67 1mpe n THR 17 Cb 0.33 -0.78 0.21 0.00 -2.10 0.00 0.00 70.33 67.99 1mpe n THR 17 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1mpe h THR 18 N -0.09 1.07 -3.25 4.28 1.35 -2.01 -3.49 112.91 110.76 1mpe h THR 18 Ca -0.19 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1mpe h THR 18 Cb 0.82 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1mpe h THR 18 CO 0.25 0.50 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.62 1mpe n GLU 19 N -3.51 -4.10 0.00 4.72 1.02 -1.26 -4.87 120.64 112.64 1mpe n GLU 19 Ca -0.00 2.99 0.00 0.00 -0.02 0.00 0.00 57.16 60.13 1mpe n GLU 19 Cb 0.61 -3.32 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mpe n ALA 20 N -0.12 -0.02 -0.85 0.62 0.00 -1.26 -4.32 120.51 114.56 1mpe n ALA 20 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1mpe n ALA 20 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1mpe n ALA 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mpe n VAL 21 N -1.68 2.02 -4.02 0.00 0.31 -1.26 -4.75 118.33 108.95 1mpe n VAL 21 Ca 0.00 -1.39 -0.34 0.00 -0.01 0.00 0.00 64.34 62.60 1mpe n VAL 21 Cb 0.00 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 30.70 1mpe n VAL 21 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mpe s ASP 22 N 4.17 5.99 0.25 4.52 -1.08 -1.26 0.58 116.67 129.84 1mpe s ASP 22 Ca 0.44 0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 52.69 1mpe s ASP 22 Cb 0.11 -1.81 0.49 0.00 -1.46 0.00 0.00 42.92 40.25 1mpe s ASP 22 CO 0.03 0.29 1.71 0.00 0.52 0.00 0.00 175.17 177.73 1mpe h ALA 23 N 4.14 1.07 -0.10 3.66 0.00 -1.89 0.13 119.26 126.26 1mpe h ALA 23 Ca -0.50 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1mpe h ALA 23 Cb 1.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1mpe h ALA 23 CO 0.64 -0.26 -0.29 0.00 0.00 0.00 0.00 179.25 179.34 1mpe h ALA 24 N 1.58 1.32 -0.72 0.00 0.00 -1.96 -2.84 119.26 116.64 1mpe h ALA 24 Ca 0.43 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1mpe h ALA 24 Cb 0.69 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1mpe h ALA 24 CO -0.44 0.47 0.26 1.15 0.00 0.00 0.00 179.25 180.69 1mpe h THR 25 N 0.17 1.25 -0.22 0.00 2.02 -1.06 -1.85 112.91 113.23 1mpe h THR 25 Ca 0.03 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1mpe h THR 25 Cb 0.61 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1mpe h THR 25 CO 0.04 0.33 0.04 0.15 0.37 0.00 0.00 175.52 176.46 1mpe h PHE 26 N 1.05 0.37 -0.24 3.16 3.57 -1.18 -0.99 116.94 122.68 1mpe h PHE 26 Ca 0.24 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1mpe h PHE 26 Cb 0.26 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1mpe h PHE 26 CO 0.02 0.47 0.06 0.93 -2.23 0.00 0.00 178.31 177.57 1mpe h GLU 27 N 0.16 0.16 -0.23 1.11 5.08 -1.33 -0.13 114.58 119.40 1mpe h GLU 27 Ca 0.07 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1mpe h GLU 27 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1mpe h GLU 27 CO 0.00 0.11 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.82 1mpe h LYS 28 N 0.16 0.47 -0.62 2.33 3.64 -1.31 -1.56 116.57 119.68 1mpe h LYS 28 Ca 0.11 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1mpe h LYS 28 Cb 0.10 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1mpe h LYS 28 CO -0.13 0.72 0.25 0.28 -2.27 0.00 0.00 179.45 178.30 1mpe h VAL 29 N 0.19 1.23 -0.18 2.00 2.07 -1.07 -1.01 116.25 119.49 1mpe h VAL 29 Ca 0.06 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1mpe h VAL 29 Cb 0.56 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1mpe h VAL 29 CO 0.03 0.28 -0.23 0.58 0.02 0.00 0.00 177.57 178.25 1mpe h VAL 30 N 0.87 1.34 -0.29 2.57 2.07 -1.03 -0.54 116.25 121.23 1mpe h VAL 30 Ca 0.21 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1mpe h VAL 30 Cb 0.20 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1mpe h VAL 30 CO -0.02 0.43 0.09 0.50 0.02 0.00 0.00 177.57 178.59 1mpe h LYS 31 N 0.13 0.45 -0.51 1.57 3.11 -1.25 0.79 116.57 120.86 1mpe h LYS 31 Ca 0.02 -0.10 -0.06 0.00 -2.81 0.00 0.00 60.65 57.71 1mpe h LYS 31 Cb 0.79 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 1mpe h LYS 31 CO 0.05 0.50 0.08 0.37 -2.81 0.00 0.00 179.45 177.65 1mpe h GLN 32 N 0.31 0.85 -0.10 1.90 5.75 -1.23 0.19 115.11 122.78 1mpe h GLN 32 Ca 0.09 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1mpe h GLN 32 Cb 0.24 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1mpe h GLN 32 CO -0.00 0.84 -0.03 0.35 -2.65 0.00 0.00 178.83 177.33 1mpe h PHE 33 N 0.73 0.22 0.00 3.99 3.57 -0.98 -3.28 116.94 121.19 1mpe h PHE 33 Ca 0.15 -0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.42 1mpe h PHE 33 Cb 0.40 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1mpe h PHE 33 CO 0.03 0.52 -0.88 0.74 -2.23 0.00 0.00 178.31 176.49 1mpe h PHE 34 N -0.14 0.06 -0.52 0.41 0.04 -0.86 -3.21 116.94 112.72 1mpe h PHE 34 Ca 0.02 -0.04 0.15 0.00 2.80 0.00 0.00 57.97 60.90 1mpe h PHE 34 Cb 0.46 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1mpe h PHE 34 CO 0.06 0.90 0.38 -0.91 -0.60 0.00 0.00 178.31 178.13 1mpe h ASN 35 N 0.02 0.02 0.19 2.17 -0.26 -0.69 0.23 115.58 117.26 1mpe h ASN 35 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1mpe h ASN 35 Cb 1.54 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.80 1mpe h ASN 35 CO 0.12 0.01 0.00 0.44 -1.06 0.00 0.00 177.43 176.94 1mpe h ASP 36 N 0.02 0.00 0.00 5.81 3.32 -1.61 -1.96 116.42 122.00 1mpe h ASP 36 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1mpe h ASP 36 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1mpe h ASP 36 CO -0.01 0.00 -1.82 0.59 -1.72 0.00 0.00 179.24 176.28 1mpe n ASN 37 N -2.83 0.49 0.00 6.45 3.02 0.79 -4.98 115.26 118.21 1mpe n ASN 37 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1mpe n ASN 37 Cb 0.10 1.83 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 1mpe n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mpe n GLY 38 N 1.38 1.30 3.82 7.41 0.00 -0.74 -5.13 105.19 113.23 1mpe n GLY 38 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1mpe n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mpe s VAL 39 N -1.52 4.73 0.23 1.61 1.01 -1.13 -4.99 120.40 120.33 1mpe s VAL 39 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1mpe s VAL 39 Cb 0.00 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1mpe s VAL 39 CO 0.00 0.34 0.37 0.47 0.00 0.00 0.00 175.10 176.29 1mpe n ASP 40 N 1.10 -1.07 0.00 3.32 9.92 -1.26 -4.05 116.55 124.52 1mpe n ASP 40 Ca -0.06 -2.10 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 1mpe n ASP 40 Cb 0.51 1.88 0.00 0.00 -0.64 0.00 0.00 41.12 42.87 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mpe n GLY 41 N -0.35 0.22 3.27 0.44 0.00 -1.26 -5.07 105.19 102.45 1mpe n GLY 41 Ca -0.02 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 1mpe n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mpe s GLU 42 N 0.00 0.94 -0.16 1.61 2.02 -1.26 -5.13 118.70 116.72 1mpe s GLU 42 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.00 1mpe s GLU 42 Cb 0.00 0.40 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 1mpe s GLU 42 CO 0.00 -0.33 1.40 -1.58 0.02 0.00 0.00 175.26 174.76 1mpe s TRP 43 N -3.42 2.54 -0.06 1.61 0.52 -1.26 -5.01 118.94 113.87 1mpe s TRP 43 Ca 0.01 0.75 0.02 0.00 0.02 0.00 0.00 56.10 56.90 1mpe s TRP 43 Cb 0.02 -3.70 -0.03 0.00 -1.15 0.00 0.00 33.47 28.61 1mpe s TRP 43 CO -0.09 -2.34 -0.11 0.95 0.02 0.00 0.00 176.95 175.38 1mpe s THR 44 N 3.93 3.30 0.39 2.01 -4.23 -1.26 -5.10 115.64 114.68 1mpe s THR 44 Ca 0.61 -0.63 -0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1mpe s THR 44 Cb -0.24 -2.32 -0.09 0.00 1.34 0.00 0.00 72.50 71.19 1mpe s THR 44 CO 0.21 0.59 1.17 -0.31 -0.54 0.00 0.00 174.62 175.73 1mpe s TYR 45 N -0.71 3.11 0.69 3.99 2.02 -1.26 -5.01 117.35 120.18 1mpe s TYR 45 Ca 0.11 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.24 1mpe s TYR 45 Cb -0.11 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.07 1mpe s TYR 45 CO 0.01 -1.26 1.08 -0.51 -1.57 0.00 0.00 175.55 173.30 1mpe s ASP 46 N -1.10 5.13 0.19 2.29 1.11 -1.26 -4.97 116.67 118.07 1mpe s ASP 46 Ca 0.56 1.80 -0.31 0.00 0.18 0.00 0.00 52.55 54.78 1mpe s ASP 46 Cb -0.31 -2.52 -0.10 0.00 1.07 0.00 0.00 42.92 41.06 1mpe s ASP 46 CO 0.39 -1.61 1.45 1.51 1.18 0.00 0.00 175.17 178.09 1mpe s ASP 47 N -3.23 6.69 0.35 0.27 -4.77 -1.26 -4.93 116.67 109.79 1mpe s ASP 47 Ca 0.62 2.56 -0.27 0.00 -3.30 0.00 0.00 52.55 52.15 1mpe s ASP 47 Cb -0.17 -2.61 -0.12 0.00 -1.09 0.00 0.00 42.92 38.94 1mpe s ASP 47 CO 0.49 -0.71 1.23 0.00 0.70 0.00 0.00 175.17 176.88 1mpe n ALA 48 N 3.15 1.01 -2.41 2.11 0.00 -1.26 -5.02 120.51 118.09 1mpe n ALA 48 Ca 0.10 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 1mpe n ALA 48 Cb 0.40 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 1mpe n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mpe s THR 49 N -1.11 0.60 -0.12 0.00 2.01 -1.26 -5.15 115.64 110.60 1mpe s THR 49 Ca 0.57 -1.62 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1mpe s THR 49 Cb -0.58 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 70.67 1mpe s THR 49 CO 0.61 -0.71 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.16 1mpe s LYS 50 N -3.03 2.06 -0.13 4.92 1.02 -1.26 -5.12 119.74 118.19 1mpe s LYS 50 Ca 0.04 -0.48 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1mpe s LYS 50 Cb -0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1mpe s LYS 50 CO -0.03 -0.16 -0.03 0.99 -0.92 0.00 0.00 175.35 175.20 1mpe s THR 51 N 1.28 4.01 -0.28 2.17 2.01 -1.26 -5.08 115.64 118.50 1mpe s THR 51 Ca -0.01 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1mpe s THR 51 Cb -0.14 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1mpe s THR 51 CO -0.06 0.52 1.05 0.12 -0.69 0.00 0.00 174.62 175.57 1mpe s PHE 52 N -0.00 3.24 -0.27 4.92 5.36 -1.26 -5.01 117.98 124.96 1mpe s PHE 52 Ca 0.01 1.31 -0.18 0.00 -0.96 0.00 0.00 56.93 57.12 1mpe s PHE 52 Cb -0.13 -3.47 -0.02 0.00 -0.34 0.00 0.00 43.02 39.05 1mpe s PHE 52 CO 0.02 -0.62 0.53 0.99 -1.46 0.00 0.00 175.22 174.68 1mpe s THR 53 N 3.41 5.05 0.66 0.12 2.01 -1.26 -5.06 115.64 120.58 1mpe s THR 53 Ca 0.44 0.86 -0.14 0.00 0.31 0.00 0.00 61.69 63.16 1mpe s THR 53 Cb -0.14 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 1mpe s THR 53 CO 0.11 0.04 1.09 -0.69 -0.69 0.00 0.00 174.62 174.49 1mpe s VAL 54 N 2.35 3.40 0.00 3.82 1.01 -1.26 -4.98 120.40 124.75 1mpe s VAL 54 Ca 0.22 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1mpe s VAL 54 Cb -0.16 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1mpe s VAL 54 CO 0.10 -0.44 0.00 0.41 0.00 0.00 0.00 175.10 175.17 1mpe n THR 55 N -2.51 0.00 -0.05 3.92 -1.04 -1.26 -5.34 114.28 108.00 1mpe n THR 55 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1mpe n THR 55 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1mpe n THR 55 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59