#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 4.19 -0.11 2.12 0.74 -1.26 -5.06 119.66 120.29 1mpe s GLN 2 Ca 0.00 0.59 -0.01 0.00 0.05 0.00 0.00 55.36 55.99 1mpe s GLN 2 Cb 0.00 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1mpe s GLN 2 CO 0.00 -0.28 -0.07 0.71 -0.55 0.00 0.00 175.29 175.10 1mpe s TYR 3 N 2.05 2.95 -0.15 1.67 1.51 -1.26 -5.11 117.35 119.01 1mpe s TYR 3 Ca 0.28 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1mpe s TYR 3 Cb -0.16 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1mpe s TYR 3 CO 0.10 0.13 0.01 0.15 -1.11 0.00 0.00 175.55 174.83 1mpe s LYS 4 N -0.26 3.60 -0.05 -0.62 1.02 -1.26 -5.10 119.74 117.07 1mpe s LYS 4 Ca 0.04 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 1mpe s LYS 4 Cb -0.13 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1mpe s LYS 4 CO 0.03 0.38 0.11 0.08 -0.92 0.00 0.00 175.35 175.02 1mpe s VAL 5 N 0.02 -0.09 -0.23 3.17 1.01 -1.26 -5.14 120.40 117.88 1mpe s VAL 5 Ca 0.03 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1mpe s VAL 5 Cb -0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1mpe s VAL 5 CO 0.02 0.10 0.22 -0.63 0.00 0.00 0.00 175.10 174.81 1mpe s ILE 6 N 1.41 5.32 -0.14 2.22 1.01 -1.26 -5.07 121.20 124.70 1mpe s ILE 6 Ca -0.06 0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1mpe s ILE 6 Cb -0.12 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.84 1mpe s ILE 6 CO -0.05 0.32 0.01 -0.76 0.00 0.00 0.00 174.94 174.47 1mpe s LEU 7 N 1.11 0.96 -0.41 2.97 1.02 -1.26 -5.06 118.68 118.01 1mpe s LEU 7 Ca 0.10 -0.48 -0.20 0.00 0.02 0.00 0.00 54.13 53.57 1mpe s LEU 7 Cb -0.14 -0.56 0.02 0.00 0.02 0.00 0.00 46.19 45.53 1mpe s LEU 7 CO 0.05 -0.24 0.62 0.20 0.02 0.00 0.00 176.35 177.00 1mpe s ASN 8 N 1.88 6.34 -0.82 2.29 0.01 -0.16 -4.43 114.94 120.05 1mpe s ASN 8 Ca 0.02 -0.22 -0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1mpe s ASN 8 Cb -0.15 -2.31 0.27 0.00 0.41 0.00 0.00 41.25 39.47 1mpe s ASN 8 CO -0.07 -0.70 2.17 0.61 -1.51 0.00 0.00 177.10 177.60 1mpe n GLY 9 N 4.94 5.37 3.56 0.66 0.00 -1.14 -4.21 105.19 114.37 1mpe n GLY 9 Ca -0.02 -2.35 -0.13 0.00 0.00 0.00 0.00 46.02 43.51 1mpe n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mpe s LYS 10 N -3.48 0.78 -0.03 1.61 -2.85 -1.26 -4.86 119.74 109.64 1mpe s LYS 10 Ca 0.51 0.27 0.04 0.00 -1.00 0.00 0.00 55.97 55.79 1mpe s LYS 10 Cb 0.37 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.49 1mpe s LYS 10 CO -0.32 -0.23 -0.13 0.99 0.10 0.00 0.00 175.35 175.77 1mpe s THR 11 N -0.95 3.19 -0.16 3.79 2.01 -1.26 -5.02 115.64 117.23 1mpe s THR 11 Ca -0.05 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1mpe s THR 11 Cb -0.01 -2.29 -0.23 0.00 0.01 0.00 0.00 72.50 69.99 1mpe s THR 11 CO 0.04 0.54 0.20 0.18 -0.69 0.00 0.00 174.62 174.89 1mpe n LEU 12 N 2.11 1.71 -4.69 4.42 4.32 -1.26 -4.89 117.00 118.72 1mpe n LEU 12 Ca -0.17 0.11 -0.42 0.00 -0.02 0.00 0.00 56.01 55.52 1mpe n LEU 12 Cb 0.52 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1mpe n LEU 12 CO 0.26 0.69 0.67 -0.54 -1.22 0.00 0.00 177.39 177.25 1mpe s LYS 13 N -2.54 4.41 -1.55 3.23 -0.14 -1.26 -4.95 119.74 116.94 1mpe s LYS 13 Ca -0.19 1.23 -0.11 0.00 -1.36 0.00 0.00 55.97 55.54 1mpe s LYS 13 Cb 0.07 -3.52 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 1mpe s LYS 13 CO 0.75 -0.23 2.68 0.41 -0.76 0.00 0.00 175.35 178.21 1mpe n GLY 14 N 3.16 4.37 3.24 -3.33 0.00 -1.26 -4.86 105.19 106.50 1mpe n GLY 14 Ca 0.06 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1mpe n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mpe s GLU 15 N 2.23 1.17 -0.16 1.61 2.02 -1.26 -5.11 118.70 119.20 1mpe s GLU 15 Ca 0.61 -1.59 -0.29 0.00 0.02 0.00 0.00 54.97 53.72 1mpe s GLU 15 Cb 0.17 -0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 1mpe s GLU 15 CO -0.07 -0.24 1.56 -0.08 0.02 0.00 0.00 175.26 176.45 1mpe s THR 16 N -3.84 3.78 0.16 3.63 -1.32 -1.26 -4.98 115.64 111.80 1mpe s THR 16 Ca 0.30 0.91 -0.09 0.00 -1.21 0.00 0.00 61.69 61.60 1mpe s THR 16 Cb 0.07 -3.69 -0.01 0.00 -1.51 0.00 0.00 72.50 67.37 1mpe s THR 16 CO 0.07 -0.19 0.27 0.42 -2.21 0.00 0.00 174.62 172.99 1mpe s THR 17 N 4.48 0.07 -0.01 5.08 -4.23 -1.26 -5.17 115.64 114.60 1mpe s THR 17 Ca 0.69 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1mpe s THR 17 Cb -0.27 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1mpe s THR 17 CO 0.26 -0.32 0.13 0.42 -0.54 0.00 0.00 174.62 174.57 1mpe s THR 18 N -3.96 5.06 0.94 3.99 -4.23 -1.26 -5.11 115.64 111.07 1mpe s THR 18 Ca 0.16 -0.27 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 1mpe s THR 18 Cb 0.03 -3.33 0.16 0.00 1.34 0.00 0.00 72.50 70.71 1mpe s THR 18 CO -0.01 0.36 1.18 -1.61 -0.54 0.00 0.00 174.62 174.00 1mpe s GLU 19 N -1.77 0.86 0.00 3.99 2.02 -1.26 -4.99 118.70 117.55 1mpe s GLU 19 Ca 0.24 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.29 1mpe s GLU 19 Cb -0.12 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1mpe s GLU 19 CO 0.15 -2.34 0.00 0.00 0.02 0.00 0.00 175.26 173.09 1mpe n ALA 20 N -3.82 0.00 -1.95 5.21 0.00 -1.26 -5.02 120.51 113.66 1mpe n ALA 20 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1mpe n ALA 20 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 1mpe n ALA 20 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1mpe n VAL 21 N -0.99 3.96 -4.00 0.00 0.24 -1.26 -4.82 118.33 111.46 1mpe n VAL 21 Ca 0.00 -3.60 -0.33 0.00 -2.04 0.00 0.00 64.34 58.37 1mpe n VAL 21 Cb 0.00 -2.48 -0.06 0.00 -1.47 0.00 0.00 33.84 29.83 1mpe n VAL 21 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1mpe s ASP 22 N 2.05 6.03 0.27 -1.34 1.11 -1.26 -0.99 116.67 122.53 1mpe s ASP 22 Ca 0.46 0.25 -0.00 0.00 0.18 0.00 0.00 52.55 53.44 1mpe s ASP 22 Cb 0.13 -1.82 0.59 0.00 1.07 0.00 0.00 42.92 42.89 1mpe s ASP 22 CO -0.05 0.27 1.71 0.00 1.18 0.00 0.00 175.17 178.28 1mpe h ALA 23 N 3.99 1.23 0.00 5.23 0.00 -1.87 0.34 119.26 128.18 1mpe h ALA 23 Ca -0.49 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1mpe h ALA 23 Cb 1.19 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1mpe h ALA 23 CO 0.65 -0.28 -0.36 0.00 0.00 0.00 0.00 179.25 179.26 1mpe h ALA 24 N 1.64 1.35 -0.84 0.00 0.00 -1.97 -2.88 119.26 116.56 1mpe h ALA 24 Ca 0.49 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1mpe h ALA 24 Cb 0.84 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1mpe h ALA 24 CO -0.48 0.45 0.39 1.15 0.00 0.00 0.00 179.25 180.76 1mpe h THR 25 N 0.00 1.26 -0.34 0.00 2.02 -0.65 -1.96 112.91 113.25 1mpe h THR 25 Ca -0.00 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1mpe h THR 25 Cb 0.65 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1mpe h THR 25 CO 0.05 0.32 -0.08 0.15 0.37 0.00 0.00 175.52 176.32 1mpe h PHE 26 N 1.21 0.74 0.30 3.16 3.57 -1.26 -1.86 116.94 122.80 1mpe h PHE 26 Ca 0.29 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1mpe h PHE 26 Cb 0.14 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1mpe h PHE 26 CO 0.02 0.82 -0.21 1.49 -2.23 0.00 0.00 178.31 178.20 1mpe h GLU 27 N 0.44 -0.48 -0.16 1.11 4.81 -1.36 -0.24 114.58 118.71 1mpe h GLU 27 Ca 0.09 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1mpe h GLU 27 Cb 0.58 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1mpe h GLU 27 CO 0.03 -0.32 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.70 1mpe h LYS 28 N -0.50 0.33 -0.53 1.92 3.64 -1.42 -1.26 116.57 118.76 1mpe h LYS 28 Ca -0.02 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1mpe h LYS 28 Cb 0.43 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1mpe h LYS 28 CO 0.01 0.64 0.20 0.28 -2.27 0.00 0.00 179.45 178.31 1mpe h VAL 29 N 0.01 1.22 -0.15 2.00 2.07 -1.36 -1.50 116.25 118.55 1mpe h VAL 29 Ca 0.04 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 1mpe h VAL 29 Cb 0.54 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1mpe h VAL 29 CO 0.02 0.26 -0.39 0.58 0.02 0.00 0.00 177.57 178.07 1mpe h VAL 30 N 0.72 1.36 -0.28 2.57 2.07 -1.08 -1.51 116.25 120.09 1mpe h VAL 30 Ca 0.18 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1mpe h VAL 30 Cb 0.21 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1mpe h VAL 30 CO -0.01 0.50 0.10 0.50 0.02 0.00 0.00 177.57 178.69 1mpe h LYS 31 N 0.15 0.42 -0.40 1.57 3.64 -1.22 0.21 116.57 120.94 1mpe h LYS 31 Ca -0.01 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1mpe h LYS 31 Cb 1.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1mpe h LYS 31 CO 0.08 0.46 0.12 0.37 -2.27 0.00 0.00 179.45 178.21 1mpe h GLN 32 N 0.30 0.62 -0.12 1.90 5.75 -1.34 0.24 115.11 122.46 1mpe h GLN 32 Ca 0.09 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1mpe h GLN 32 Cb 0.20 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1mpe h GLN 32 CO -0.01 0.63 -0.04 0.35 -2.65 0.00 0.00 178.83 177.11 1mpe h PHE 33 N 0.50 0.27 -0.03 3.99 3.57 -1.16 -3.20 116.94 120.88 1mpe h PHE 33 Ca 0.13 -0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.39 1mpe h PHE 33 Cb 0.27 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1mpe h PHE 33 CO 0.01 0.56 -0.75 0.74 -2.23 0.00 0.00 178.31 176.63 1mpe h PHE 34 N -0.09 0.30 -0.35 0.41 -1.00 -0.60 -3.10 116.94 112.52 1mpe h PHE 34 Ca 0.03 -0.14 0.09 0.00 2.81 0.00 0.00 57.97 60.76 1mpe h PHE 34 Cb 0.47 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 1mpe h PHE 34 CO 0.06 0.89 0.25 -0.91 -1.61 0.00 0.00 178.31 176.98 1mpe h ASN 35 N 0.14 0.04 0.14 2.17 -0.26 -0.56 0.79 115.58 118.04 1mpe h ASN 35 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1mpe h ASN 35 Cb 1.33 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 1mpe h ASN 35 CO 0.12 0.03 0.00 0.44 -1.06 0.00 0.00 177.43 176.95 1mpe h ASP 36 N 0.05 0.00 0.00 5.81 3.32 -1.53 -2.38 116.42 121.69 1mpe h ASP 36 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1mpe h ASP 36 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1mpe h ASP 36 CO -0.01 0.00 -1.75 -0.46 -1.72 0.00 0.00 179.24 175.30 1mpe n ASN 37 N -2.82 1.50 0.00 6.45 0.23 0.24 -5.00 115.26 115.85 1mpe n ASN 37 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 1mpe n ASN 37 Cb 0.09 1.55 0.00 0.00 -2.08 0.00 0.00 39.78 39.34 1mpe n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mpe n GLY 38 N 1.72 0.38 3.83 4.83 0.00 -0.90 -5.14 105.19 109.91 1mpe n GLY 38 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.85 4.77 0.37 1.61 1.01 -1.05 -4.98 120.40 121.27 1mpe s VAL 39 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1mpe s VAL 39 Cb 0.00 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.62 1mpe s VAL 39 CO 0.00 0.33 0.71 0.47 0.00 0.00 0.00 175.10 176.61 1mpe n ASP 40 N 1.07 -2.05 0.00 3.32 8.00 -1.26 -3.92 116.55 121.71 1mpe n ASP 40 Ca -0.06 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.84 1mpe n ASP 40 Cb 0.51 3.46 0.00 0.00 -0.02 0.00 0.00 41.12 45.07 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mpe n GLY 41 N -0.52 0.16 3.20 0.44 0.00 -1.26 -5.07 105.19 102.14 1mpe n GLY 41 Ca -0.07 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 0.73 -0.18 1.61 2.02 -1.26 -5.13 118.70 116.49 1mpe s GLU 42 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 1mpe s GLU 42 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 1mpe s GLU 42 CO 0.00 -0.22 1.34 -1.58 0.02 0.00 0.00 175.26 174.82 1mpe s TRP 43 N -2.56 2.67 -0.04 1.61 0.52 -1.26 -5.01 118.94 114.86 1mpe s TRP 43 Ca -0.05 0.86 0.02 0.00 0.02 0.00 0.00 56.10 56.94 1mpe s TRP 43 Cb -0.01 -3.66 -0.03 0.00 -1.15 0.00 0.00 33.47 28.62 1mpe s TRP 43 CO -0.04 -2.03 -0.06 0.95 0.02 0.00 0.00 176.95 175.79 1mpe s THR 44 N 3.85 3.72 0.34 2.01 -4.23 -1.26 -5.10 115.64 114.97 1mpe s THR 44 Ca 0.58 -0.57 -0.28 0.00 -1.18 0.00 0.00 61.69 60.24 1mpe s THR 44 Cb -0.22 -2.56 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 1mpe s THR 44 CO 0.19 0.53 1.20 -0.31 -0.54 0.00 0.00 174.62 175.69 1mpe s TYR 45 N -0.88 3.22 0.77 3.99 2.02 -1.26 -5.01 117.35 120.20 1mpe s TYR 45 Ca 0.14 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 1mpe s TYR 45 Cb -0.11 -3.48 0.06 0.00 -0.40 0.00 0.00 41.96 38.03 1mpe s TYR 45 CO 0.04 -1.30 1.08 -0.51 -1.57 0.00 0.00 175.55 173.29 1mpe s ASP 46 N -0.79 4.57 0.10 2.29 1.11 -1.26 -4.95 116.67 117.73 1mpe s ASP 46 Ca 0.50 1.70 -0.31 0.00 0.18 0.00 0.00 52.55 54.62 1mpe s ASP 46 Cb -0.35 -2.44 -0.09 0.00 1.07 0.00 0.00 42.92 41.12 1mpe s ASP 46 CO 0.45 -1.98 1.57 -1.81 1.18 0.00 0.00 175.17 174.58 1mpe s ASP 47 N -3.52 6.65 0.45 0.27 1.01 -1.26 -4.94 116.67 115.33 1mpe s ASP 47 Ca 0.61 2.48 -0.24 0.00 0.71 0.00 0.00 52.55 56.11 1mpe s ASP 47 Cb -0.16 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 1mpe s ASP 47 CO 0.56 -0.82 1.16 0.00 0.21 0.00 0.00 175.17 176.28 1mpe n ALA 48 N 4.79 0.84 -2.46 5.23 0.00 -1.26 -5.02 120.51 122.64 1mpe n ALA 48 Ca 0.14 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 1mpe n ALA 48 Cb 0.40 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.27 0.17 -0.14 0.00 2.01 -1.26 -5.15 115.64 110.00 1mpe s THR 49 Ca 0.64 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1mpe s THR 49 Cb -0.51 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 70.96 1mpe s THR 49 CO 0.56 -0.79 -0.19 -0.54 -0.69 0.00 0.00 174.62 172.97 1mpe s LYS 50 N -3.01 2.73 -0.16 4.92 1.02 -1.26 -5.12 119.74 118.87 1mpe s LYS 50 Ca -0.01 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1mpe s LYS 50 Cb 0.01 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1mpe s LYS 50 CO -0.07 -0.08 0.00 0.99 -0.92 0.00 0.00 175.35 175.27 1mpe s THR 51 N 1.01 4.26 -0.25 2.17 2.01 -1.26 -5.08 115.64 118.50 1mpe s THR 51 Ca -0.04 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 1mpe s THR 51 Cb -0.15 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.50 1mpe s THR 51 CO -0.05 0.49 1.02 0.12 -0.69 0.00 0.00 174.62 175.52 1mpe s PHE 52 N 0.22 3.31 -0.22 4.92 5.36 -1.26 -5.02 117.98 125.29 1mpe s PHE 52 Ca 0.00 1.39 -0.16 0.00 -0.96 0.00 0.00 56.93 57.20 1mpe s PHE 52 Cb -0.13 -3.31 -0.04 0.00 -0.34 0.00 0.00 43.02 39.20 1mpe s PHE 52 CO 0.02 -0.52 0.40 0.99 -1.46 0.00 0.00 175.22 174.65 1mpe s THR 53 N 3.23 5.19 0.67 0.12 2.01 -1.26 -5.07 115.64 120.53 1mpe s THR 53 Ca 0.43 0.69 -0.14 0.00 0.31 0.00 0.00 61.69 62.98 1mpe s THR 53 Cb -0.15 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1mpe s THR 53 CO 0.08 0.22 1.09 -0.69 -0.69 0.00 0.00 174.62 174.63 1mpe s VAL 54 N 1.51 3.42 0.10 3.82 1.01 -1.26 -4.96 120.40 124.04 1mpe s VAL 54 Ca 0.18 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1mpe s VAL 54 Cb -0.15 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1mpe s VAL 54 CO 0.08 -0.45 0.00 0.41 0.00 0.00 0.00 175.10 175.14 1mpe n THR 55 N -2.56 0.00 -0.50 3.92 -1.04 -1.26 -5.34 114.28 107.51 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 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81