#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 4.24 -0.16 0.03 0.74 -1.26 -5.05 119.66 118.20 1mpe s GLN 2 Ca 0.00 0.78 -0.04 0.00 0.05 0.00 0.00 55.36 56.15 1mpe s GLN 2 Cb 0.00 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1mpe s GLN 2 CO 0.00 -0.30 -0.03 0.71 -0.55 0.00 0.00 175.29 175.12 1mpe s TYR 3 N 2.09 3.04 -0.20 1.67 2.02 -1.26 -5.10 117.35 119.61 1mpe s TYR 3 Ca 0.32 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.67 1mpe s TYR 3 Cb -0.16 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1mpe s TYR 3 CO 0.11 -0.04 0.04 0.21 -1.57 0.00 0.00 175.55 174.30 1mpe s LYS 4 N 0.41 3.76 -0.06 -0.62 2.20 -1.26 -5.09 119.74 119.08 1mpe s LYS 4 Ca -0.03 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1mpe s LYS 4 Cb -0.14 -3.18 0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1mpe s LYS 4 CO 0.03 0.07 0.12 0.08 -0.36 0.00 0.00 175.35 175.28 1mpe s VAL 5 N 0.90 -0.12 -0.21 4.02 1.01 -1.26 -5.14 120.40 119.61 1mpe s VAL 5 Ca 0.03 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 1mpe s VAL 5 Cb -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1mpe s VAL 5 CO 0.02 0.11 0.44 -0.63 0.00 0.00 0.00 175.10 175.04 1mpe s ILE 6 N 1.64 5.17 -0.15 2.22 1.01 -1.26 -5.05 121.20 124.77 1mpe s ILE 6 Ca -0.03 0.78 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 1mpe s ILE 6 Cb -0.12 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1mpe s ILE 6 CO -0.05 0.22 0.02 -0.76 0.00 0.00 0.00 174.94 174.37 1mpe s LEU 7 N 1.47 1.01 0.27 2.97 1.02 -1.26 -4.97 118.68 119.18 1mpe s LEU 7 Ca 0.20 -0.57 0.00 0.00 0.02 0.00 0.00 54.13 53.78 1mpe s LEU 7 Cb -0.15 -0.56 0.00 0.00 0.02 0.00 0.00 46.19 45.50 1mpe s LEU 7 CO 0.09 -0.26 0.00 -3.20 0.02 0.00 0.00 176.35 172.99 1mpe n ASN 8 N 5.07 -1.88 0.00 2.29 2.85 0.22 -4.05 115.26 119.77 1mpe n ASN 8 Ca -0.09 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1mpe n ASN 8 Cb 0.48 1.91 0.00 0.00 1.24 0.00 0.00 39.78 43.41 1mpe n ASN 8 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mpe n GLY 9 N -0.45 -0.10 2.22 8.20 0.00 -1.14 -4.33 105.19 109.58 1mpe n GLY 9 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1mpe n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mpe n LYS 10 N -1.77 -4.97 -3.64 1.61 4.76 -1.26 -4.72 118.16 108.16 1mpe n LYS 10 Ca 0.00 3.62 -0.15 0.00 -2.87 0.00 0.00 58.31 58.91 1mpe n LYS 10 Cb 0.00 -4.41 -0.08 0.00 -1.84 0.00 0.00 35.03 28.70 1mpe n LYS 10 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1mpe s THR 11 N -0.55 0.02 0.14 -0.18 -1.32 -1.26 -4.98 115.64 107.51 1mpe s THR 11 Ca 0.00 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 1mpe s THR 11 Cb 0.00 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1mpe s THR 11 CO 0.00 -0.10 0.00 -0.11 -2.21 0.00 0.00 174.62 172.20 1mpe n LEU 12 N 1.43 -1.28 -3.31 9.08 7.94 -1.26 -5.09 117.00 124.52 1mpe n LEU 12 Ca -0.19 0.35 -0.10 0.00 -1.11 0.00 0.00 56.01 54.96 1mpe n LEU 12 Cb 0.56 1.44 -0.06 0.00 0.53 0.00 0.00 43.42 45.90 1mpe n LEU 12 CO 0.20 -0.09 -0.07 -0.54 -1.11 0.00 0.00 177.39 175.78 1mpe s LYS 13 N -2.00 0.55 0.00 1.96 1.02 -1.26 -5.10 119.74 114.90 1mpe s LYS 13 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1mpe s LYS 13 Cb 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1mpe s LYS 13 CO 0.00 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 1mpe n GLY 14 N 4.86 -0.42 3.85 -3.33 0.00 -1.26 -5.16 105.19 103.73 1mpe n GLY 14 Ca 0.06 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 2.06 0.45 1.61 0.41 -1.26 -5.05 118.70 116.91 1mpe s GLU 15 Ca 0.00 0.34 -0.14 0.00 -0.41 0.00 0.00 54.97 54.76 1mpe s GLU 15 Cb 0.00 -1.94 -0.07 0.00 -1.78 0.00 0.00 34.13 30.34 1mpe s GLU 15 CO 0.00 -1.58 0.87 -0.08 -0.49 0.00 0.00 175.26 173.99 1mpe s THR 16 N -3.38 4.65 0.20 3.63 -1.32 -1.26 -4.92 115.64 113.23 1mpe s THR 16 Ca 0.61 0.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.04 1mpe s THR 16 Cb -0.12 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 1mpe s THR 16 CO 0.52 -0.57 0.00 0.35 -2.21 0.00 0.00 174.62 172.71 1mpe n THR 17 N -1.34 0.00 -3.98 5.08 -2.24 -1.26 -4.95 114.28 105.60 1mpe n THR 17 Ca 0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.74 1mpe n THR 17 Cb 0.54 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.37 1mpe n THR 17 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mpe s THR 18 N -1.72 0.12 -0.39 4.28 -4.23 -1.26 -5.05 115.64 107.39 1mpe s THR 18 Ca 0.00 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1mpe s THR 18 Cb 0.00 -0.39 0.24 0.00 1.34 0.00 0.00 72.50 73.69 1mpe s THR 18 CO 0.00 -0.53 1.06 -1.84 -0.54 0.00 0.00 174.62 172.77 1mpe n GLU 19 N 1.45 0.29 0.08 3.99 0.28 -1.26 -5.05 120.64 120.42 1mpe n GLU 19 Ca -0.23 -1.09 0.00 0.00 -0.16 0.00 0.00 57.16 55.68 1mpe n GLU 19 Cb 0.56 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.92 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1mpe n ALA 20 N 2.08 1.54 -3.29 -1.84 0.00 -1.26 -5.03 120.51 112.71 1mpe n ALA 20 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 1mpe n ALA 20 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 1mpe n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mpe s VAL 21 N -1.42 5.69 -0.03 0.00 -7.23 -1.26 -4.98 120.40 111.16 1mpe s VAL 21 Ca 0.00 -2.82 -0.03 0.00 -1.81 0.00 0.00 61.98 57.32 1mpe s VAL 21 Cb 0.00 -4.57 -0.04 0.00 0.56 0.00 0.00 36.38 32.33 1mpe s VAL 21 CO 0.00 -1.16 0.13 -0.62 -0.31 0.00 0.00 175.10 173.14 1mpe s ASP 22 N 1.94 6.06 0.27 4.85 2.15 -1.26 0.72 116.67 131.40 1mpe s ASP 22 Ca 0.26 0.29 -0.00 0.00 0.43 0.00 0.00 52.55 53.52 1mpe s ASP 22 Cb -0.09 -1.85 0.58 0.00 -0.30 0.00 0.00 42.92 41.26 1mpe s ASP 22 CO -0.08 0.30 1.73 0.00 -0.17 0.00 0.00 175.17 176.95 1mpe h ALA 23 N 4.21 1.28 0.00 3.66 0.00 -1.85 0.25 119.26 126.82 1mpe h ALA 23 Ca -0.50 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1mpe h ALA 23 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1mpe h ALA 23 CO 0.64 -0.20 -0.35 0.00 0.00 0.00 0.00 179.25 179.33 1mpe h ALA 24 N 1.61 1.37 -0.82 0.00 0.00 -1.94 -2.80 119.26 116.68 1mpe h ALA 24 Ca 0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1mpe h ALA 24 Cb 0.79 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1mpe h ALA 24 CO -0.43 0.44 0.40 1.15 0.00 0.00 0.00 179.25 180.81 1mpe h THR 25 N 0.00 1.25 0.03 0.00 2.02 -0.90 -1.73 112.91 113.58 1mpe h THR 25 Ca -0.00 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1mpe h THR 25 Cb 0.65 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1mpe h THR 25 CO 0.05 0.30 -0.01 0.15 0.37 0.00 0.00 175.52 176.37 1mpe h PHE 26 N 1.16 -0.03 0.01 3.16 3.57 -1.23 -1.96 116.94 121.62 1mpe h PHE 26 Ca 0.28 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1mpe h PHE 26 Cb 0.10 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1mpe h PHE 26 CO 0.01 0.36 -0.28 0.93 -2.23 0.00 0.00 178.31 177.10 1mpe h GLU 27 N -0.43 -0.42 0.03 1.11 5.08 -1.33 0.26 114.58 118.89 1mpe h GLU 27 Ca -0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1mpe h GLU 27 Cb 0.40 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1mpe h GLU 27 CO 0.01 -0.28 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.50 1mpe h LYS 28 N -0.44 -0.04 -0.64 2.33 3.64 -1.40 -0.62 116.57 119.40 1mpe h LYS 28 Ca 0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1mpe h LYS 28 Cb 0.52 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1mpe h LYS 28 CO -0.24 0.25 0.27 0.28 -2.27 0.00 0.00 179.45 177.74 1mpe h VAL 29 N -0.33 1.23 -0.14 2.00 2.07 -1.30 -0.48 116.25 119.30 1mpe h VAL 29 Ca -0.00 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1mpe h VAL 29 Cb 0.31 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1mpe h VAL 29 CO 0.01 0.28 -0.20 0.58 0.02 0.00 0.00 177.57 178.26 1mpe h VAL 30 N 0.89 1.36 -0.31 2.57 2.07 -0.49 -0.25 116.25 122.08 1mpe h VAL 30 Ca 0.22 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1mpe h VAL 30 Cb 0.18 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1mpe h VAL 30 CO -0.02 0.42 0.12 0.50 0.02 0.00 0.00 177.57 178.61 1mpe h LYS 31 N 0.00 0.47 -0.27 1.57 3.64 -1.08 0.34 116.57 121.24 1mpe h LYS 31 Ca 0.02 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1mpe h LYS 31 Cb 0.76 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1mpe h LYS 31 CO 0.05 0.48 0.13 0.37 -2.27 0.00 0.00 179.45 178.20 1mpe h GLN 32 N 0.36 0.39 -0.23 1.90 4.15 -1.12 0.68 115.11 121.24 1mpe h GLN 32 Ca 0.10 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 1mpe h GLN 32 Cb 0.19 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1mpe h GLN 32 CO -0.01 0.39 -0.04 0.35 -1.93 0.00 0.00 178.83 177.59 1mpe h PHE 33 N 0.30 0.48 -0.02 3.99 3.57 -0.91 -3.19 116.94 121.16 1mpe h PHE 33 Ca 0.09 -0.10 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1mpe h PHE 33 Cb 0.13 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1mpe h PHE 33 CO -0.02 0.65 -0.85 0.74 -2.23 0.00 0.00 178.31 176.60 1mpe h PHE 34 N 0.17 0.49 -0.55 0.41 -1.00 -0.28 -3.17 116.94 113.01 1mpe h PHE 34 Ca 0.06 -0.25 0.13 0.00 2.81 0.00 0.00 57.97 60.72 1mpe h PHE 34 Cb 0.49 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 1mpe h PHE 34 CO 0.05 1.04 0.38 -0.91 -1.61 0.00 0.00 178.31 177.26 1mpe h ASN 35 N 0.21 0.16 0.19 2.17 -0.26 0.34 0.15 115.58 118.54 1mpe h ASN 35 Ca -0.05 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1mpe h ASN 35 Cb 1.46 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.69 1mpe h ASN 35 CO 0.14 0.09 0.00 0.44 -1.06 0.00 0.00 177.43 177.04 1mpe h ASP 36 N 0.17 0.00 0.00 5.81 3.32 -1.53 -2.46 116.42 121.73 1mpe h ASP 36 Ca 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1mpe h ASP 36 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1mpe h ASP 36 CO -0.04 0.00 -1.77 -0.46 -1.72 0.00 0.00 179.24 175.25 1mpe n ASN 37 N -2.71 1.38 0.00 6.45 0.23 0.49 -5.00 115.26 116.11 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 39.39 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 1.68 0.46 3.83 4.83 0.00 -0.93 -5.14 105.19 109.92 1mpe n GLY 38 Ca -0.06 0.00 -0.37 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 -0.90 4.76 0.37 1.61 1.01 -1.09 -4.99 120.40 121.17 1mpe s VAL 39 Ca 0.00 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 1mpe s VAL 39 Cb 0.00 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1mpe s VAL 39 CO 0.00 0.33 0.68 -1.81 0.00 0.00 0.00 175.10 174.30 1mpe s ASP 40 N -1.51 0.38 0.00 3.32 1.01 -1.26 -4.02 116.67 114.59 1mpe s ASP 40 Ca 0.36 -1.29 0.00 0.00 0.71 0.00 0.00 52.55 52.33 1mpe s ASP 40 Cb -0.17 0.79 0.00 0.00 1.01 0.00 0.00 42.92 44.55 1mpe s ASP 40 CO 0.20 -1.56 0.00 0.61 0.21 0.00 0.00 175.17 174.63 1mpe n GLY 41 N -0.55 0.13 3.23 0.21 0.00 -1.26 -5.07 105.19 101.88 1mpe n GLY 41 Ca -0.05 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 0.81 -0.19 1.61 2.02 -1.26 -5.13 118.70 116.56 1mpe s GLU 42 Ca 0.00 -0.63 -0.29 0.00 0.02 0.00 0.00 54.97 54.07 1mpe s GLU 42 Cb 0.00 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.56 1mpe s GLU 42 CO 0.00 -0.26 1.35 -1.58 0.02 0.00 0.00 175.26 174.79 1mpe s TRP 43 N -2.87 2.63 -0.04 1.61 0.52 -1.26 -5.01 118.94 114.51 1mpe s TRP 43 Ca -0.03 0.83 0.02 0.00 0.02 0.00 0.00 56.10 56.94 1mpe s TRP 43 Cb 0.00 -3.70 -0.03 0.00 -1.15 0.00 0.00 33.47 28.59 1mpe s TRP 43 CO -0.05 -2.07 -0.07 0.95 0.02 0.00 0.00 176.95 175.72 1mpe s THR 44 N 3.98 3.63 0.40 2.01 -4.23 -1.26 -5.10 115.64 115.07 1mpe s THR 44 Ca 0.59 -0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 1mpe s THR 44 Cb -0.22 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 1mpe s THR 44 CO 0.20 0.54 1.19 -0.31 -0.54 0.00 0.00 174.62 175.69 1mpe s TYR 45 N -0.86 3.02 0.72 3.99 2.02 -1.26 -5.01 117.35 119.97 1mpe s TYR 45 Ca 0.14 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.26 1mpe s TYR 45 Cb -0.11 -3.43 0.03 0.00 -0.40 0.00 0.00 41.96 38.04 1mpe s TYR 45 CO 0.03 -1.44 1.08 -0.51 -1.57 0.00 0.00 175.55 173.14 1mpe s ASP 46 N -1.09 5.01 0.12 2.29 1.11 -1.26 -4.97 116.67 117.89 1mpe s ASP 46 Ca 0.57 1.75 -0.31 0.00 0.18 0.00 0.00 52.55 54.74 1mpe s ASP 46 Cb -0.32 -2.51 -0.09 0.00 1.07 0.00 0.00 42.92 41.07 1mpe s ASP 46 CO 0.40 -1.69 1.51 -0.62 1.18 0.00 0.00 175.17 175.95 1mpe s ASP 47 N -3.46 6.68 0.40 0.27 2.15 -1.26 -4.94 116.67 116.51 1mpe s ASP 47 Ca 0.60 2.47 -0.26 0.00 0.43 0.00 0.00 52.55 55.80 1mpe s ASP 47 Cb -0.16 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 39.77 1mpe s ASP 47 CO 0.53 -0.77 1.20 0.00 -0.17 0.00 0.00 175.17 175.96 1mpe n ALA 48 N 4.29 0.95 -2.40 3.66 0.00 -1.26 -5.02 120.51 120.73 1mpe n ALA 48 Ca 0.13 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 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 -1.19 0.57 -0.15 0.00 2.01 -1.26 -5.15 115.64 110.47 1mpe s THR 49 Ca 0.61 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1mpe s THR 49 Cb -0.54 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 70.71 1mpe s THR 49 CO 0.58 -0.73 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.10 1mpe s LYS 50 N -3.07 2.33 -0.15 4.92 1.02 -1.26 -5.12 119.74 118.40 1mpe s LYS 50 Ca 0.04 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.40 1mpe s LYS 50 Cb 0.00 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1mpe s LYS 50 CO -0.04 -0.24 0.01 0.99 -0.92 0.00 0.00 175.35 175.15 1mpe s THR 51 N 1.48 4.32 -0.30 2.17 2.01 -1.26 -5.08 115.64 118.98 1mpe s THR 51 Ca 0.05 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 1mpe s THR 51 Cb -0.13 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.50 1mpe s THR 51 CO -0.11 0.50 1.05 0.12 -0.69 0.00 0.00 174.62 175.49 1mpe s PHE 52 N 0.11 3.20 -0.20 4.92 5.36 -1.26 -5.02 117.98 125.09 1mpe s PHE 52 Ca 0.02 1.24 -0.19 0.00 -0.96 0.00 0.00 56.93 57.04 1mpe s PHE 52 Cb -0.13 -3.56 -0.03 0.00 -0.34 0.00 0.00 43.02 38.96 1mpe s PHE 52 CO 0.02 -0.68 0.53 0.99 -1.46 0.00 0.00 175.22 174.61 1mpe s THR 53 N 3.50 5.10 0.67 0.12 2.01 -1.26 -5.06 115.64 120.72 1mpe s THR 53 Ca 0.44 0.97 -0.14 0.00 0.31 0.00 0.00 61.69 63.28 1mpe s THR 53 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1mpe s THR 53 CO 0.13 0.17 1.08 -0.69 -0.69 0.00 0.00 174.62 174.62 1mpe s VAL 54 N 1.66 3.57 0.03 3.82 1.01 -1.26 -4.96 120.40 124.26 1mpe s VAL 54 Ca 0.24 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1mpe s VAL 54 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1mpe s VAL 54 CO 0.10 -0.53 0.00 0.41 0.00 0.00 0.00 175.10 175.07 1mpe n THR 55 N -2.65 0.00 -0.49 3.92 -1.04 -1.26 -5.34 114.28 107.42 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 0.53 -0.02 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