#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 4.25 -0.12 2.12 0.74 -1.26 -5.06 119.66 120.33 1mpe s GLN 2 Ca 0.00 0.65 -0.00 0.00 0.05 0.00 0.00 55.36 56.06 1mpe s GLN 2 Cb 0.00 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.54 1mpe s GLN 2 CO 0.00 -0.19 -0.11 0.71 -0.55 0.00 0.00 175.29 175.15 1mpe s TYR 3 N 1.73 2.85 -0.18 1.67 2.02 -1.26 -5.11 117.35 119.07 1mpe s TYR 3 Ca 0.30 -0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 56.48 1mpe s TYR 3 Cb -0.16 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 1mpe s TYR 3 CO 0.11 -0.08 0.02 0.15 -1.57 0.00 0.00 175.55 174.18 1mpe s LYS 4 N 0.11 3.80 -0.06 -0.62 1.02 -1.26 -5.09 119.74 117.64 1mpe s LYS 4 Ca -0.05 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 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 0.04 0.19 0.12 0.08 -0.92 0.00 0.00 175.35 174.86 1mpe s VAL 5 N 0.56 -0.15 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.28 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 0.13 0.35 -0.63 0.00 0.00 0.00 175.10 174.96 1mpe s ILE 6 N 1.80 5.18 -0.19 2.22 1.01 -1.26 -5.06 121.20 124.91 1mpe s ILE 6 Ca -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1mpe s ILE 6 Cb -0.12 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1mpe s ILE 6 CO -0.05 0.02 -0.10 -0.76 0.00 0.00 0.00 174.94 174.05 1mpe s LEU 7 N 2.02 2.70 -0.27 2.97 1.02 -1.26 -5.07 118.68 120.78 1mpe s LEU 7 Ca 0.12 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 1mpe s LEU 7 Cb -0.16 -1.65 0.16 0.00 0.02 0.00 0.00 46.19 44.56 1mpe s LEU 7 CO 0.11 0.04 0.48 0.54 0.02 0.00 0.00 176.35 177.54 1mpe s ASN 8 N 1.10 -0.50 -0.70 2.29 4.22 -0.63 -4.37 114.94 116.35 1mpe s ASN 8 Ca 0.01 0.39 -0.26 0.00 -2.14 0.00 0.00 52.86 50.86 1mpe s ASN 8 Cb -0.15 1.58 -0.02 0.00 1.28 0.00 0.00 41.25 43.95 1mpe s ASN 8 CO -0.02 -0.29 1.82 -0.83 -2.04 0.00 0.00 177.10 175.73 1mpe s GLY 9 N 2.69 0.28 0.41 0.45 0.00 0.76 -4.80 107.32 107.10 1mpe s GLY 9 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1mpe s GLY 9 CO -0.20 3.35 0.00 0.28 0.00 0.00 0.00 173.10 176.52 1mpe n LYS 10 N 9.12 -3.03 -3.33 2.90 4.76 -1.26 -4.02 118.16 123.30 1mpe n LYS 10 Ca 0.24 2.13 -0.12 0.00 -2.87 0.00 0.00 58.31 57.69 1mpe n LYS 10 Cb 0.51 -3.66 -0.07 0.00 -1.84 0.00 0.00 35.03 29.97 1mpe n LYS 10 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1mpe s THR 11 N -2.72 -0.55 0.24 -0.18 2.01 -1.26 -4.99 115.64 108.19 1mpe s THR 11 Ca 0.00 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1mpe s THR 11 Cb 0.00 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1mpe s THR 11 CO 0.00 -0.37 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.76 1mpe s LEU 12 N 2.27 2.36 -0.97 4.42 1.43 -1.26 -5.09 118.68 121.83 1mpe s LEU 12 Ca 0.11 -1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 51.93 1mpe s LEU 12 Cb -0.13 -0.45 0.25 0.00 0.03 0.00 0.00 46.19 45.89 1mpe s LEU 12 CO -0.25 -0.41 0.93 -0.75 0.23 0.00 0.00 176.35 176.10 1mpe s LYS 13 N -3.79 3.85 0.00 1.70 2.20 -1.26 -4.72 119.74 117.73 1mpe s LYS 13 Ca 0.28 -2.91 0.00 0.00 -0.36 0.00 0.00 55.97 52.98 1mpe s LYS 13 Cb 0.04 -4.44 0.00 0.00 -1.51 0.00 0.00 37.83 31.92 1mpe s LYS 13 CO 0.09 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 1mpe n GLY 14 N 3.20 -0.80 3.68 5.54 0.00 -1.26 -5.10 105.19 110.44 1mpe n GLY 14 Ca 0.19 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 4.32 -1.45 1.61 2.02 -1.26 -4.96 118.70 118.97 1mpe s GLU 15 Ca 0.00 1.01 -0.11 0.00 0.02 0.00 0.00 54.97 55.89 1mpe s GLU 15 Cb 0.00 -3.56 0.04 0.00 0.10 0.00 0.00 34.13 30.71 1mpe s GLU 15 CO 0.00 -0.28 2.38 -2.37 0.02 0.00 0.00 175.26 175.01 1mpe n THR 16 N 4.62 4.09 -1.54 3.63 5.66 -1.26 -4.69 114.28 124.78 1mpe n THR 16 Ca 0.04 -3.33 -0.30 0.00 -3.05 0.00 0.00 64.05 57.41 1mpe n THR 16 Cb 0.49 -2.50 0.19 0.00 -1.55 0.00 0.00 70.33 66.97 1mpe n THR 16 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1mpe s THR 17 N 1.82 1.86 0.14 1.09 -4.23 -1.26 -5.10 115.64 109.96 1mpe s THR 17 Ca 0.53 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1mpe s THR 17 Cb 0.15 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1mpe s THR 17 CO -0.06 0.00 0.45 0.28 -0.54 0.00 0.00 174.62 174.75 1mpe s THR 18 N -3.44 0.05 -0.44 3.99 -1.32 -1.26 -4.59 115.64 108.63 1mpe s THR 18 Ca 0.70 -0.54 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 1mpe s THR 18 Cb -0.08 -1.23 0.20 0.00 -1.51 0.00 0.00 72.50 69.88 1mpe s THR 18 CO 0.54 -0.23 0.55 -0.62 -2.21 0.00 0.00 174.62 172.65 1mpe n GLU 19 N -0.27 0.47 0.00 7.08 1.02 -1.26 -4.94 120.64 122.73 1mpe n GLU 19 Ca -0.15 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 1mpe n GLU 19 Cb 0.64 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 2.36 0.00 -0.98 0.62 0.00 -1.26 -4.78 120.51 116.47 1mpe n ALA 20 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 1mpe n ALA 20 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 2.72 -4.06 0.00 0.31 -1.26 -4.75 118.33 111.29 1mpe n VAL 21 Ca 0.00 -1.79 -0.34 0.00 -0.01 0.00 0.00 64.34 62.21 1mpe n VAL 21 Cb 0.00 -2.28 -0.07 0.00 -0.91 0.00 0.00 33.84 30.58 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 3.47 5.85 0.25 4.52 -1.08 -1.26 -0.17 116.67 128.24 1mpe s ASP 22 Ca 0.48 0.22 -0.02 0.00 -0.52 0.00 0.00 52.55 52.71 1mpe s ASP 22 Cb 0.13 -1.73 0.51 0.00 -1.46 0.00 0.00 42.92 40.36 1mpe s ASP 22 CO -0.01 0.29 1.74 0.00 0.52 0.00 0.00 175.17 177.71 1mpe h ALA 23 N 4.23 1.16 -0.02 3.66 0.00 -1.90 0.13 119.26 126.53 1mpe h ALA 23 Ca -0.50 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1mpe h ALA 23 Cb 1.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1mpe h ALA 23 CO 0.62 -0.19 -0.35 0.00 0.00 0.00 0.00 179.25 179.34 1mpe h ALA 24 N 1.57 1.39 -0.57 0.00 0.00 -1.96 -2.70 119.26 116.99 1mpe h ALA 24 Ca 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1mpe h ALA 24 Cb 0.68 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1mpe h ALA 24 CO -0.41 0.45 0.25 1.15 0.00 0.00 0.00 179.25 180.70 1mpe h THR 25 N 0.04 1.20 -0.13 0.00 2.02 -1.03 -1.74 112.91 113.26 1mpe h THR 25 Ca 0.00 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1mpe h THR 25 Cb 0.63 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1mpe h THR 25 CO 0.05 0.24 -0.02 0.15 0.37 0.00 0.00 175.52 176.30 1mpe h PHE 26 N 0.80 0.28 -0.06 3.16 3.57 -1.15 -1.37 116.94 122.16 1mpe h PHE 26 Ca 0.20 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1mpe h PHE 26 Cb 0.12 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1mpe h PHE 26 CO 0.01 0.52 -0.09 0.93 -2.23 0.00 0.00 178.31 177.46 1mpe h GLU 27 N -0.05 -0.11 -0.06 1.11 5.08 -1.37 0.43 114.58 119.60 1mpe h GLU 27 Ca 0.03 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1mpe h GLU 27 Cb 0.43 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1mpe h GLU 27 CO 0.01 -0.08 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.71 1mpe h LYS 28 N -0.12 0.12 -0.81 2.33 3.64 -1.36 -1.23 116.57 119.13 1mpe h LYS 28 Ca 0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1mpe h LYS 28 Cb 0.20 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1mpe h LYS 28 CO -0.13 0.44 0.41 0.28 -2.27 0.00 0.00 179.45 178.18 1mpe h VAL 29 N -0.22 1.25 -0.11 2.00 2.07 -1.21 -1.19 116.25 118.84 1mpe h VAL 29 Ca 0.02 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1mpe h VAL 29 Cb 0.40 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1mpe h VAL 29 CO 0.01 0.29 -0.27 0.58 0.02 0.00 0.00 177.57 178.20 1mpe h VAL 30 N 1.14 1.38 -0.33 2.57 2.07 -0.92 -1.29 116.25 120.88 1mpe h VAL 30 Ca 0.28 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1mpe h VAL 30 Cb 0.09 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1mpe h VAL 30 CO -0.04 0.46 0.15 0.50 0.02 0.00 0.00 177.57 178.66 1mpe h LYS 31 N -0.04 0.48 -0.34 1.57 3.64 -1.17 0.38 116.57 121.09 1mpe h LYS 31 Ca -0.00 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1mpe h LYS 31 Cb 0.88 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1mpe h LYS 31 CO 0.06 0.45 0.14 0.37 -2.27 0.00 0.00 179.45 178.20 1mpe h GLN 32 N 0.39 0.50 -0.17 1.90 5.75 -1.28 0.43 115.11 122.64 1mpe h GLN 32 Ca 0.11 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 1mpe h GLN 32 Cb 0.14 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 1mpe h GLN 32 CO -0.01 0.49 -0.07 0.35 -2.65 0.00 0.00 178.83 176.94 1mpe h PHE 33 N 0.40 0.40 -0.01 3.99 3.57 -1.08 -3.26 116.94 120.96 1mpe h PHE 33 Ca 0.11 -0.09 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 1mpe h PHE 33 Cb 0.17 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1mpe h PHE 33 CO -0.01 0.64 -0.77 0.74 -2.23 0.00 0.00 178.31 176.69 1mpe h PHE 34 N 0.04 0.10 -0.38 0.41 -1.00 -0.22 -3.15 116.94 112.74 1mpe h PHE 34 Ca 0.04 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 60.87 1mpe h PHE 34 Cb 0.53 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1mpe h PHE 34 CO 0.06 0.81 0.27 -0.91 -1.61 0.00 0.00 178.31 176.93 1mpe h ASN 35 N 0.04 0.06 0.20 2.17 -0.26 -0.16 0.14 115.58 117.76 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 1.35 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.60 1mpe h ASN 35 CO 0.11 0.04 0.00 0.44 -1.06 0.00 0.00 177.43 176.95 1mpe h ASP 36 N 0.06 0.00 0.00 5.81 3.32 -1.59 -2.56 116.42 121.47 1mpe h ASP 36 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1mpe h ASP 36 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1mpe h ASP 36 CO -0.01 0.00 -1.72 -0.46 -1.72 0.00 0.00 179.24 175.33 1mpe n ASN 37 N -2.75 1.57 0.00 6.45 0.23 0.01 -5.00 115.26 115.78 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 0.10 1.59 0.00 0.00 -2.08 0.00 0.00 39.78 39.40 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 1.70 0.32 3.83 4.83 0.00 -0.96 -5.14 105.19 109.77 1mpe n GLY 38 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 4.74 0.35 1.61 1.01 -1.07 -4.98 120.40 121.21 1mpe s VAL 39 Ca 0.00 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 1mpe s VAL 39 Cb 0.00 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1mpe s VAL 39 CO 0.00 0.32 0.67 0.47 0.00 0.00 0.00 175.10 176.57 1mpe n ASP 40 N 1.05 -1.95 0.00 3.32 8.00 -1.26 -3.94 116.55 121.77 1mpe n ASP 40 Ca -0.06 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.94 1mpe n ASP 40 Cb 0.51 3.29 0.00 0.00 -0.02 0.00 0.00 41.12 44.90 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 -0.50 0.14 3.22 0.44 0.00 -1.26 -5.07 105.19 102.16 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 -0.02 0.76 -0.27 1.61 2.02 -1.26 -5.12 118.70 116.42 1mpe s GLU 42 Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 1mpe s GLU 42 Cb 0.00 0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.55 1mpe s GLU 42 CO 0.00 -0.24 1.38 -1.58 0.02 0.00 0.00 175.26 174.84 1mpe s TRP 43 N -2.67 2.55 -0.03 1.61 0.52 -1.26 -5.01 118.94 114.65 1mpe s TRP 43 Ca -0.04 0.79 0.02 0.00 0.02 0.00 0.00 56.10 56.89 1mpe s TRP 43 Cb -0.00 -3.90 -0.03 0.00 -1.15 0.00 0.00 33.47 28.38 1mpe s TRP 43 CO -0.04 -2.02 -0.06 0.95 0.02 0.00 0.00 176.95 175.80 1mpe s THR 44 N 4.52 3.75 0.42 2.01 -4.23 -1.26 -5.10 115.64 115.75 1mpe s THR 44 Ca 0.60 -0.60 -0.24 0.00 -1.18 0.00 0.00 61.69 60.26 1mpe s THR 44 Cb -0.19 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 1mpe s THR 44 CO 0.24 0.49 1.17 -0.31 -0.54 0.00 0.00 174.62 175.67 1mpe s TYR 45 N -0.92 3.01 0.71 3.99 2.02 -1.26 -5.01 117.35 119.89 1mpe s TYR 45 Ca 0.15 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.28 1mpe s TYR 45 Cb -0.11 -3.39 0.02 0.00 -0.40 0.00 0.00 41.96 38.08 1mpe s TYR 45 CO 0.05 -1.36 1.08 -0.51 -1.57 0.00 0.00 175.55 173.23 1mpe s ASP 46 N -1.21 5.07 0.15 2.29 1.11 -1.26 -4.97 116.67 117.85 1mpe s ASP 46 Ca 0.59 1.76 -0.31 0.00 0.18 0.00 0.00 52.55 54.77 1mpe s ASP 46 Cb -0.30 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.08 1mpe s ASP 46 CO 0.37 -1.65 1.50 -1.81 1.18 0.00 0.00 175.17 174.76 1mpe s ASP 47 N -3.39 6.67 0.36 0.27 1.11 -1.26 -4.93 116.67 115.51 1mpe s ASP 47 Ca 0.61 2.51 -0.27 0.00 0.18 0.00 0.00 52.55 55.58 1mpe s ASP 47 Cb -0.16 -2.59 -0.12 0.00 1.07 0.00 0.00 42.92 41.12 1mpe s ASP 47 CO 0.52 -0.76 1.19 0.00 1.18 0.00 0.00 175.17 177.30 1mpe n ALA 48 N 3.97 0.87 -2.39 5.23 0.00 -1.26 -5.02 120.51 121.92 1mpe n ALA 48 Ca 0.13 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1mpe n ALA 48 Cb 0.40 -2.19 -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 -1.14 0.34 -0.12 0.00 2.01 -1.26 -5.15 115.64 110.31 1mpe s THR 49 Ca 0.58 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1mpe s THR 49 Cb -0.57 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1mpe s THR 49 CO 0.60 -0.79 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.07 1mpe s LYS 50 N -3.09 2.08 -0.13 4.92 1.02 -1.26 -5.12 119.74 118.16 1mpe s LYS 50 Ca 0.01 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 1mpe s LYS 50 Cb 0.01 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1mpe s LYS 50 CO -0.06 -0.14 -0.01 0.99 -0.92 0.00 0.00 175.35 175.21 1mpe s THR 51 N 1.23 4.14 -0.32 2.17 2.01 -1.26 -5.08 115.64 118.52 1mpe s THR 51 Ca -0.02 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 1mpe s THR 51 Cb -0.14 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1mpe s THR 51 CO -0.05 0.54 1.05 0.12 -0.69 0.00 0.00 174.62 175.59 1mpe s PHE 52 N -0.16 3.15 -0.22 4.92 5.36 -1.26 -5.02 117.98 124.76 1mpe s PHE 52 Ca 0.04 1.16 -0.19 0.00 -0.96 0.00 0.00 56.93 56.98 1mpe s PHE 52 Cb -0.13 -3.66 -0.03 0.00 -0.34 0.00 0.00 43.02 38.87 1mpe s PHE 52 CO 0.02 -0.75 0.57 0.99 -1.46 0.00 0.00 175.22 174.59 1mpe s THR 53 N 3.60 5.06 0.65 0.12 2.01 -1.26 -5.05 115.64 120.76 1mpe s THR 53 Ca 0.44 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 63.33 1mpe s THR 53 Cb -0.12 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1mpe s THR 53 CO 0.15 0.12 1.09 -0.69 -0.69 0.00 0.00 174.62 174.60 1mpe s VAL 54 N 1.94 3.47 0.02 3.82 1.01 -1.26 -4.96 120.40 124.44 1mpe s VAL 54 Ca 0.25 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1mpe s VAL 54 Cb -0.16 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1mpe s VAL 54 CO 0.10 -0.45 0.00 0.41 0.00 0.00 0.00 175.10 175.15 1mpe n THR 55 N -2.44 0.00 -0.52 3.92 -1.04 -1.26 -5.34 114.28 107.61 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 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81