#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 4.23 -0.17 0.03 0.74 -1.26 -5.06 119.66 118.18 1mpe s GLN 2 Ca 0.00 0.59 -0.04 0.00 0.05 0.00 0.00 55.36 55.96 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 -0.19 -0.03 0.71 -0.55 0.00 0.00 175.29 175.24 1mpe s TYR 3 N 1.74 3.03 -0.20 1.67 2.02 -1.26 -5.10 117.35 119.26 1mpe s TYR 3 Ca 0.28 -0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1mpe s TYR 3 Cb -0.16 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 1mpe s TYR 3 CO 0.11 -0.08 0.03 0.15 -1.57 0.00 0.00 175.55 174.18 1mpe s LYS 4 N 0.52 3.72 -0.07 -0.62 1.02 -1.26 -5.09 119.74 117.97 1mpe s LYS 4 Ca -0.02 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 1mpe s LYS 4 Cb -0.14 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1mpe s LYS 4 CO 0.02 0.05 0.13 0.08 -0.92 0.00 0.00 175.35 174.71 1mpe s VAL 5 N 0.94 -0.18 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.64 1mpe s VAL 5 Ca 0.02 0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1mpe s VAL 5 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1mpe s VAL 5 CO 0.02 0.14 0.52 -0.63 0.00 0.00 0.00 175.10 175.15 1mpe s ILE 6 N 2.03 5.03 -0.19 2.22 1.01 -1.26 -5.05 121.20 125.00 1mpe s ILE 6 Ca 0.01 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 1mpe s ILE 6 Cb -0.12 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1mpe s ILE 6 CO -0.05 -0.08 -0.07 -0.76 0.00 0.00 0.00 174.94 173.98 1mpe s LEU 7 N 2.37 2.88 0.00 2.97 1.02 -1.26 -4.93 118.68 121.73 1mpe s LEU 7 Ca 0.20 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 54.01 1mpe s LEU 7 Cb -0.15 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.35 1mpe s LEU 7 CO 0.12 0.06 0.00 0.59 0.02 0.00 0.00 176.35 177.13 1mpe n ASN 8 N 4.26 0.00 0.00 2.29 3.02 -0.45 -4.51 115.26 119.87 1mpe n ASN 8 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1mpe n ASN 8 Cb 0.52 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1mpe n ASN 8 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mpe n GLY 9 N -0.30 0.88 2.61 7.41 0.00 -1.16 -4.34 105.19 110.28 1mpe n GLY 9 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 1mpe n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mpe n LYS 10 N 0.00 -2.79 -0.49 1.61 4.81 -1.26 -4.98 118.16 115.06 1mpe n LYS 10 Ca 0.00 2.35 -0.29 0.00 -0.87 0.00 0.00 58.31 59.50 1mpe n LYS 10 Cb 0.00 -4.97 0.25 0.00 0.02 0.00 0.00 35.03 30.33 1mpe n LYS 10 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1mpe n THR 11 N 0.33 0.00 0.11 3.15 -2.24 -1.26 -5.00 114.28 109.37 1mpe n THR 11 Ca 0.03 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1mpe n THR 11 Cb 0.13 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 1mpe n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mpe n LEU 12 N -4.57 -0.47 -4.08 3.22 4.77 -1.26 -5.07 117.00 109.54 1mpe n LEU 12 Ca 0.02 0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 56.07 1mpe n LEU 12 Cb 0.55 0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 42.11 1mpe n LEU 12 CO 0.57 -0.62 -0.39 -0.54 -1.33 0.00 0.00 177.39 175.08 1mpe s LYS 13 N -1.71 2.07 0.00 3.23 1.02 -1.26 -5.03 119.74 118.07 1mpe s LYS 13 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 1mpe s LYS 13 Cb 0.00 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1mpe s LYS 13 CO 0.00 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 1mpe n GLY 14 N 4.44 0.77 3.79 -3.33 0.00 -1.26 -5.04 105.19 104.56 1mpe n GLY 14 Ca -0.09 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 1mpe n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mpe s GLU 15 N 0.00 1.71 0.00 1.61 -1.05 -1.26 -5.05 118.70 114.65 1mpe s GLU 15 Ca 0.00 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 1mpe s GLU 15 Cb 0.00 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 1mpe s GLU 15 CO 0.00 -0.78 0.00 2.41 0.95 0.00 0.00 175.26 177.84 1mpe n THR 16 N -0.45 0.00 0.00 1.83 -1.04 -1.26 -5.05 114.28 108.31 1mpe n THR 16 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1mpe n THR 16 Cb 0.60 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1mpe n THR 16 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1mpe n THR 17 N -2.43 0.00 -2.24 12.58 -1.04 -1.26 -4.78 114.28 115.11 1mpe n THR 17 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1mpe n THR 17 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1mpe n THR 17 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1mpe s THR 18 N 0.00 3.82 -0.18 12.58 -4.23 -1.26 -4.36 115.64 122.01 1mpe s THR 18 Ca 0.00 0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 61.27 1mpe s THR 18 Cb 0.00 -3.96 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1mpe s THR 18 CO 0.00 -0.51 0.24 -0.62 -0.54 0.00 0.00 174.62 173.19 1mpe n GLU 19 N 7.87 -4.34 -1.50 3.99 1.02 -1.26 -5.00 120.64 121.42 1mpe n GLU 19 Ca 0.18 3.29 0.03 0.00 -0.02 0.00 0.00 57.16 60.64 1mpe n GLU 19 Cb 0.47 -4.84 0.06 0.00 -0.02 0.00 0.00 31.44 27.11 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 1.59 2.70 -3.35 0.62 0.00 -1.26 -5.01 120.51 115.80 1mpe n ALA 20 Ca -0.40 -2.61 -0.14 0.00 0.00 0.00 0.00 53.44 50.29 1mpe n ALA 20 Cb 0.62 -0.67 0.02 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 0.05 -8.00 -4.01 0.00 0.31 -1.26 -3.89 118.33 101.53 1mpe n VAL 21 Ca 0.10 -0.59 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1mpe n VAL 21 Cb 1.02 -5.68 -0.06 0.00 -0.91 0.00 0.00 33.84 28.21 1mpe n VAL 21 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1mpe s ASP 22 N -3.18 5.98 0.27 4.52 1.01 -1.26 -1.34 116.67 122.67 1mpe s ASP 22 Ca 0.20 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.70 1mpe s ASP 22 Cb -0.05 -1.79 0.60 0.00 1.01 0.00 0.00 42.92 42.69 1mpe s ASP 22 CO 0.79 0.27 1.74 0.00 0.21 0.00 0.00 175.17 178.19 1mpe h ALA 23 N 3.96 1.35 -0.01 5.23 0.00 -1.86 0.26 119.26 128.19 1mpe h ALA 23 Ca -0.49 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1mpe h ALA 23 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1mpe h ALA 23 CO 0.65 -0.16 -0.40 0.00 0.00 0.00 0.00 179.25 179.34 1mpe h ALA 24 N 1.61 1.31 -0.73 0.00 0.00 -1.97 -2.82 119.26 116.66 1mpe h ALA 24 Ca 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1mpe h ALA 24 Cb 0.79 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1mpe h ALA 24 CO -0.41 0.51 0.38 1.15 0.00 0.00 0.00 179.25 180.88 1mpe h THR 25 N 0.02 1.22 0.16 0.00 2.02 -0.88 -1.54 112.91 113.91 1mpe h THR 25 Ca -0.00 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1mpe h THR 25 Cb 0.72 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1mpe h THR 25 CO 0.05 0.26 -0.08 0.15 0.37 0.00 0.00 175.52 176.27 1mpe h PHE 26 N 1.03 -0.20 -0.15 3.16 3.57 -1.22 -1.63 116.94 121.49 1mpe h PHE 26 Ca 0.26 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1mpe h PHE 26 Cb 0.06 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1mpe h PHE 26 CO 0.01 0.18 -0.29 0.93 -2.23 0.00 0.00 178.31 176.90 1mpe h GLU 27 N -0.63 -0.34 0.10 1.11 5.08 -1.34 0.41 114.58 118.97 1mpe h GLU 27 Ca -0.02 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1mpe h GLU 27 Cb 0.47 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1mpe h GLU 27 CO 0.04 -0.23 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.55 1mpe h LYS 28 N -0.35 -0.13 -0.71 2.33 3.64 -1.37 -1.01 116.57 118.97 1mpe h LYS 28 Ca 0.10 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1mpe h LYS 28 Cb 0.52 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1mpe h LYS 28 CO -0.35 0.16 0.30 0.28 -2.27 0.00 0.00 179.45 177.57 1mpe h VAL 29 N -0.43 1.24 -0.18 2.00 2.07 -1.19 -0.92 116.25 118.85 1mpe h VAL 29 Ca -0.01 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1mpe h VAL 29 Cb 0.35 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1mpe h VAL 29 CO 0.02 0.30 -0.21 0.58 0.02 0.00 0.00 177.57 178.29 1mpe h VAL 30 N 1.01 1.34 -0.38 2.57 2.07 -0.21 -0.58 116.25 122.08 1mpe h VAL 30 Ca 0.24 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1mpe h VAL 30 Cb 0.19 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1mpe h VAL 30 CO -0.02 0.42 0.12 0.50 0.02 0.00 0.00 177.57 178.60 1mpe h LYS 31 N 0.11 0.59 -0.34 1.57 3.64 -1.14 0.25 116.57 121.25 1mpe h LYS 31 Ca 0.02 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1mpe h LYS 31 Cb 0.77 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1mpe h LYS 31 CO 0.05 0.60 0.13 0.37 -2.27 0.00 0.00 179.45 178.33 1mpe h GLN 32 N 0.46 0.51 -0.17 1.90 5.75 -1.19 0.46 115.11 122.82 1mpe h GLN 32 Ca 0.12 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1mpe h GLN 32 Cb 0.26 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1mpe h GLN 32 CO -0.00 0.51 -0.04 0.35 -2.65 0.00 0.00 178.83 177.00 1mpe h PHE 33 N 0.40 0.36 -0.02 3.99 3.57 -0.98 -3.21 116.94 121.05 1mpe h PHE 33 Ca 0.11 -0.08 -0.19 0.00 3.53 0.00 0.00 57.97 61.35 1mpe h PHE 33 Cb 0.19 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1mpe h PHE 33 CO -0.00 0.59 -0.81 0.74 -2.23 0.00 0.00 178.31 176.60 1mpe h PHE 34 N 0.04 0.35 -0.48 0.41 -1.00 -0.48 -3.16 116.94 112.62 1mpe h PHE 34 Ca 0.04 -0.18 0.12 0.00 2.81 0.00 0.00 57.97 60.77 1mpe h PHE 34 Cb 0.47 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1mpe h PHE 34 CO 0.05 0.95 0.34 -0.91 -1.61 0.00 0.00 178.31 177.13 1mpe h ASN 35 N 0.15 0.09 0.12 2.17 -0.26 -0.12 0.83 115.58 118.56 1mpe h ASN 35 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1mpe h ASN 35 Cb 1.40 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1mpe h ASN 35 CO 0.13 0.05 0.00 0.44 -1.06 0.00 0.00 177.43 176.99 1mpe h ASP 36 N 0.10 0.00 0.00 5.81 3.32 -1.55 -2.24 116.42 121.87 1mpe h ASP 36 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1mpe h ASP 36 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1mpe h ASP 36 CO -0.02 0.00 -1.70 -0.46 -1.72 0.00 0.00 179.24 175.34 1mpe n ASN 37 N -2.78 1.34 0.00 6.45 0.23 0.26 -4.99 115.26 115.77 1mpe n ASN 37 Ca -0.02 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1mpe n ASN 37 Cb 0.09 1.71 0.00 0.00 -2.08 0.00 0.00 39.78 39.49 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 1.59 0.71 3.83 4.83 0.00 -0.84 -5.14 105.19 110.17 1mpe n GLY 38 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.07 4.78 0.30 1.61 1.01 -1.11 -4.99 120.40 120.93 1mpe s VAL 39 Ca 0.00 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.92 1mpe s VAL 39 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1mpe s VAL 39 CO 0.00 0.34 0.55 0.47 0.00 0.00 0.00 175.10 176.46 1mpe n ASP 40 N 1.10 -1.58 0.00 3.32 8.00 -1.26 -4.02 116.55 122.11 1mpe n ASP 40 Ca -0.07 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1mpe n ASP 40 Cb 0.51 2.71 0.00 0.00 -0.02 0.00 0.00 41.12 44.32 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 -0.44 0.18 3.23 0.44 0.00 -1.26 -5.07 105.19 102.27 1mpe n GLY 41 Ca -0.05 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 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 0.80 -0.15 1.61 2.02 -1.26 -5.13 118.70 116.60 1mpe s GLU 42 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1mpe s GLU 42 Cb 0.00 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.55 1mpe s GLU 42 CO 0.00 -0.26 1.38 -1.58 0.02 0.00 0.00 175.26 174.82 1mpe s TRP 43 N -2.90 2.58 -0.03 1.61 0.52 -1.26 -5.01 118.94 114.46 1mpe s TRP 43 Ca -0.02 0.77 0.04 0.00 0.02 0.00 0.00 56.10 56.91 1mpe s TRP 43 Cb 0.00 -3.65 -0.03 0.00 -1.15 0.00 0.00 33.47 28.64 1mpe s TRP 43 CO -0.06 -2.30 -0.14 0.95 0.02 0.00 0.00 176.95 175.43 1mpe s THR 44 N 3.77 3.11 0.39 2.01 -4.23 -1.26 -5.11 115.64 114.32 1mpe s THR 44 Ca 0.60 -0.81 -0.26 0.00 -1.18 0.00 0.00 61.69 60.05 1mpe s THR 44 Cb -0.24 -2.25 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 1mpe s THR 44 CO 0.19 0.52 1.17 -0.31 -0.54 0.00 0.00 174.62 175.65 1mpe s TYR 45 N -0.81 3.10 0.74 3.99 2.02 -1.26 -5.02 117.35 120.12 1mpe s TYR 45 Ca 0.13 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 1mpe s TYR 45 Cb -0.11 -3.39 0.04 0.00 -0.40 0.00 0.00 41.96 38.10 1mpe s TYR 45 CO 0.02 -1.27 1.08 -0.51 -1.57 0.00 0.00 175.55 173.30 1mpe s ASP 46 N -1.11 4.89 0.11 2.29 1.11 -1.26 -4.96 116.67 117.74 1mpe s ASP 46 Ca 0.56 1.68 -0.31 0.00 0.18 0.00 0.00 52.55 54.66 1mpe s ASP 46 Cb -0.31 -2.47 -0.09 0.00 1.07 0.00 0.00 42.92 41.13 1mpe s ASP 46 CO 0.39 -1.77 1.55 -0.62 1.18 0.00 0.00 175.17 175.90 1mpe s ASP 47 N -3.62 6.66 0.41 0.27 -1.08 -1.26 -4.94 116.67 113.11 1mpe s ASP 47 Ca 0.60 2.48 -0.25 0.00 -0.52 0.00 0.00 52.55 54.85 1mpe s ASP 47 Cb -0.15 -2.58 -0.10 0.00 -1.46 0.00 0.00 42.92 38.62 1mpe s ASP 47 CO 0.55 -0.81 1.16 0.00 0.52 0.00 0.00 175.17 176.60 1mpe n ALA 48 N 4.66 0.81 -2.42 3.66 0.00 -1.26 -5.02 120.51 120.93 1mpe n ALA 48 Ca 0.14 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 1mpe n ALA 48 Cb 0.40 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.21 0.46 -0.11 0.00 2.01 -1.26 -5.15 115.64 110.37 1mpe s THR 49 Ca 0.61 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1mpe s THR 49 Cb -0.54 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1mpe s THR 49 CO 0.58 -0.74 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.12 1mpe s LYS 50 N -3.00 1.80 -0.13 4.92 1.02 -1.26 -5.13 119.74 117.96 1mpe s LYS 50 Ca 0.02 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 1mpe s LYS 50 Cb 0.00 -1.70 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 1mpe s LYS 50 CO -0.04 -0.19 -0.01 0.99 -0.92 0.00 0.00 175.35 175.18 1mpe s THR 51 N 1.41 4.19 -0.33 2.17 2.01 -1.26 -5.08 115.64 118.75 1mpe s THR 51 Ca 0.00 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.46 1mpe s THR 51 Cb -0.13 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1mpe s THR 51 CO -0.06 0.53 1.02 0.12 -0.69 0.00 0.00 174.62 175.54 1mpe s PHE 52 N -0.15 3.14 -0.19 4.92 5.36 -1.26 -5.02 117.98 124.78 1mpe s PHE 52 Ca 0.04 1.08 -0.20 0.00 -0.96 0.00 0.00 56.93 56.89 1mpe s PHE 52 Cb -0.13 -3.65 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 1mpe s PHE 52 CO 0.02 -0.76 0.59 0.99 -1.46 0.00 0.00 175.22 174.60 1mpe s THR 53 N 3.57 5.06 0.66 0.12 2.01 -1.26 -5.05 115.64 120.74 1mpe s THR 53 Ca 0.43 1.11 -0.14 0.00 0.31 0.00 0.00 61.69 63.40 1mpe s THR 53 Cb -0.12 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 1mpe s THR 53 CO 0.16 0.15 1.09 -0.69 -0.69 0.00 0.00 174.62 174.64 1mpe s VAL 54 N 1.69 3.48 0.08 3.82 1.01 -1.26 -4.96 120.40 124.25 1mpe s VAL 54 Ca 0.28 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1mpe s VAL 54 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1mpe s VAL 54 CO 0.11 -0.46 0.00 0.41 0.00 0.00 0.00 175.10 175.15 1mpe n THR 55 N -2.50 0.00 -0.48 3.92 -1.04 -1.26 -5.34 114.28 107.58 1mpe n THR 55 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1mpe n THR 55 Cb 0.52 -0.06 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