#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 4.20 -0.12 0.03 0.74 -1.26 -5.06 119.66 118.19 1mpe s GLN 2 Ca 0.00 0.57 -0.01 0.00 0.05 0.00 0.00 55.36 55.97 1mpe s GLN 2 Cb 0.00 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1mpe s GLN 2 CO 0.00 -0.24 -0.07 0.71 -0.55 0.00 0.00 175.29 175.14 1mpe s TYR 3 N 1.91 2.94 -0.17 1.67 2.02 -1.26 -5.11 117.35 119.35 1mpe s TYR 3 Ca 0.28 -0.30 -0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1mpe s TYR 3 Cb -0.16 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.51 1mpe s TYR 3 CO 0.10 0.02 0.01 0.15 -1.57 0.00 0.00 175.55 174.26 1mpe s LYS 4 N 0.03 3.81 -0.06 -0.62 1.02 -1.26 -5.09 119.74 117.56 1mpe s LYS 4 Ca -0.01 -0.44 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1mpe s LYS 4 Cb -0.14 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1mpe s LYS 4 CO 0.03 0.23 0.12 0.08 -0.92 0.00 0.00 175.35 174.90 1mpe s VAL 5 N 0.44 -0.16 -0.31 3.17 1.01 -1.26 -5.13 120.40 118.15 1mpe s VAL 5 Ca -0.00 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1mpe s VAL 5 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1mpe s VAL 5 CO 0.02 0.13 0.37 -0.63 0.00 0.00 0.00 175.10 174.99 1mpe s ILE 6 N 1.91 5.17 -0.23 2.22 1.01 -1.26 -5.06 121.20 124.96 1mpe s ILE 6 Ca -0.00 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 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 0.06 -0.76 0.00 0.00 0.00 174.94 174.19 1mpe s LEU 7 N 2.05 3.48 -0.27 2.97 1.02 -1.26 -5.06 118.68 121.61 1mpe s LEU 7 Ca 0.13 -0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 1mpe s LEU 7 Cb -0.16 -1.91 0.15 0.00 0.02 0.00 0.00 46.19 44.29 1mpe s LEU 7 CO 0.11 0.02 0.48 0.54 0.02 0.00 0.00 176.35 177.52 1mpe s ASN 8 N 1.27 -0.50 -1.13 2.29 4.22 -1.17 -4.67 114.94 115.26 1mpe s ASN 8 Ca 0.05 0.59 -0.09 0.00 -2.14 0.00 0.00 52.86 51.27 1mpe s ASN 8 Cb -0.15 1.60 0.27 0.00 1.28 0.00 0.00 41.25 44.25 1mpe s ASN 8 CO 0.03 -0.28 1.22 0.61 -2.04 0.00 0.00 177.10 176.64 1mpe n GLY 9 N 5.40 4.25 3.64 0.45 0.00 0.22 -4.54 105.19 114.60 1mpe n GLY 9 Ca -0.03 -2.52 -0.29 0.00 0.00 0.00 0.00 46.02 43.18 1mpe n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mpe s LYS 10 N -1.10 2.03 0.01 1.61 1.02 -1.26 -4.62 119.74 117.43 1mpe s LYS 10 Ca 0.33 -2.25 -0.00 0.00 0.02 0.00 0.00 55.97 54.06 1mpe s LYS 10 Cb -0.07 -1.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1mpe s LYS 10 CO -0.04 -0.33 -0.01 0.99 -0.92 0.00 0.00 175.35 175.04 1mpe s THR 11 N -2.98 0.08 -0.16 2.17 2.01 -1.26 -5.01 115.64 110.49 1mpe s THR 11 Ca 0.18 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.32 1mpe s THR 11 Cb 0.04 -0.20 -0.23 0.00 0.01 0.00 0.00 72.50 72.11 1mpe s THR 11 CO 0.10 -0.36 0.46 0.25 -0.69 0.00 0.00 174.62 174.38 1mpe h LEU 12 N 5.05 0.11 -6.17 4.42 5.85 -2.05 -3.46 115.31 119.06 1mpe h LEU 12 Ca -0.30 -0.74 -0.15 0.00 0.84 0.00 0.00 57.88 57.53 1mpe h LEU 12 Cb 1.21 -0.04 -0.25 0.00 0.37 0.00 0.00 40.66 41.96 1mpe h LEU 12 CO 0.44 1.39 -0.52 -0.75 -0.34 0.00 0.00 178.44 178.66 1mpe s LYS 13 N -2.36 0.61 0.00 1.25 2.20 -1.26 -5.14 119.74 115.05 1mpe s LYS 13 Ca -0.24 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1mpe s LYS 13 Cb 0.03 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 1mpe s LYS 13 CO 0.67 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1mpe n GLY 14 N 4.84 2.26 3.56 5.54 0.00 -1.26 -5.10 105.19 115.03 1mpe n GLY 14 Ca 0.07 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.29 3.27 -0.03 1.61 -1.05 -1.26 -4.96 118.70 114.99 1mpe s GLU 15 Ca 0.00 -0.08 -0.03 0.00 -0.15 0.00 0.00 54.97 54.71 1mpe s GLU 15 Cb 0.00 -4.14 -0.04 0.00 -0.44 0.00 0.00 34.13 29.51 1mpe s GLU 15 CO 0.00 -2.03 0.14 -0.08 0.95 0.00 0.00 175.26 174.23 1mpe s THR 16 N 5.61 5.19 -0.21 1.83 -1.32 -1.26 -5.02 115.64 120.47 1mpe s THR 16 Ca 0.38 -0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.77 1mpe s THR 16 Cb -0.08 -3.37 -0.21 0.00 -1.51 0.00 0.00 72.50 67.33 1mpe s THR 16 CO 0.18 0.40 0.02 0.41 -2.21 0.00 0.00 174.62 173.42 1mpe n THR 17 N 1.26 1.50 -3.87 5.08 -1.04 -1.26 -4.99 114.28 110.96 1mpe n THR 17 Ca -0.14 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.05 61.06 1mpe n THR 17 Cb 0.53 -1.10 -0.12 0.00 -1.82 0.00 0.00 70.33 67.82 1mpe n THR 17 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1mpe s THR 18 N -2.52 0.03 0.40 12.58 -1.32 -1.26 -5.15 115.64 118.41 1mpe s THR 18 Ca -0.22 -0.26 -0.25 0.00 -1.21 0.00 0.00 61.69 59.74 1mpe s THR 18 Cb 0.08 -0.20 -0.08 0.00 -1.51 0.00 0.00 72.50 70.79 1mpe s THR 18 CO 0.72 -0.15 1.13 -1.83 -2.21 0.00 0.00 174.62 172.28 1mpe s GLU 19 N -0.44 4.07 -0.14 7.08 1.03 -1.26 -4.99 118.70 124.05 1mpe s GLU 19 Ca -0.05 1.74 -0.10 0.00 0.03 0.00 0.00 54.97 56.59 1mpe s GLU 19 Cb -0.03 -2.63 -0.06 0.00 -0.80 0.00 0.00 34.13 30.61 1mpe s GLU 19 CO 0.00 -0.28 -0.01 0.00 -1.33 0.00 0.00 175.26 173.64 1mpe h ALA 20 N 2.57 0.04 -2.46 -0.84 0.00 -1.93 -3.43 119.26 113.21 1mpe h ALA 20 Ca -0.49 -0.48 -0.75 0.00 0.00 0.00 0.00 54.91 53.20 1mpe h ALA 20 Cb 1.23 0.38 -0.23 0.00 0.00 0.00 0.00 17.79 19.17 1mpe h ALA 20 CO 0.62 0.37 0.35 0.08 0.00 0.00 0.00 179.25 180.68 1mpe s VAL 21 N -2.08 5.27 -0.14 0.00 1.01 -1.26 -4.95 120.40 118.25 1mpe s VAL 21 Ca -0.13 -2.09 -0.07 0.00 0.00 0.00 0.00 61.98 59.69 1mpe s VAL 21 Cb 0.02 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1mpe s VAL 21 CO 0.25 -1.20 0.13 -0.62 0.00 0.00 0.00 175.10 173.65 1mpe s ASP 22 N 2.75 6.25 0.29 3.32 -1.08 -1.26 0.72 116.67 127.66 1mpe s ASP 22 Ca 0.23 0.39 0.03 0.00 -0.52 0.00 0.00 52.55 52.67 1mpe s ASP 22 Cb -0.09 -2.03 0.73 0.00 -1.46 0.00 0.00 42.92 40.07 1mpe s ASP 22 CO -0.08 0.35 1.64 0.00 0.52 0.00 0.00 175.17 177.60 1mpe h ALA 23 N 5.38 1.31 0.00 3.66 0.00 -1.96 0.92 119.26 128.57 1mpe h ALA 23 Ca -0.51 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1mpe h ALA 23 Cb 1.21 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1mpe h ALA 23 CO 0.62 -0.48 -0.15 0.00 0.00 0.00 0.00 179.25 179.24 1mpe h ALA 24 N 1.79 1.20 -0.96 0.00 0.00 -1.99 -2.75 119.26 116.56 1mpe h ALA 24 Ca 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1mpe h ALA 24 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1mpe h ALA 24 CO -0.66 0.19 0.59 1.15 0.00 0.00 0.00 179.25 180.51 1mpe h THR 25 N 0.00 1.26 -0.13 0.00 2.02 0.49 -1.02 112.91 115.53 1mpe h THR 25 Ca -0.00 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1mpe h THR 25 Cb 0.45 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1mpe h THR 25 CO 0.02 0.27 -0.09 0.15 0.37 0.00 0.00 175.52 176.24 1mpe h PHE 26 N 1.32 0.33 -0.04 3.16 3.57 -1.42 -2.02 116.94 121.83 1mpe h PHE 26 Ca 0.34 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1mpe h PHE 26 Cb -0.07 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1mpe h PHE 26 CO 0.00 0.65 -0.19 0.93 -2.23 0.00 0.00 178.31 177.48 1mpe h GLU 27 N -0.08 -0.27 -0.10 1.11 5.08 -1.39 0.19 114.58 119.11 1mpe h GLU 27 Ca 0.03 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1mpe h GLU 27 Cb 0.57 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1mpe h GLU 27 CO 0.02 -0.18 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.61 1mpe h LYS 28 N -0.28 0.20 -0.63 2.33 3.64 -1.26 -1.42 116.57 119.15 1mpe h LYS 28 Ca 0.07 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1mpe h LYS 28 Cb 0.38 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1mpe h LYS 28 CO -0.21 0.51 0.23 0.28 -2.27 0.00 0.00 179.45 177.99 1mpe h VAL 29 N -0.12 1.24 -0.14 2.00 2.07 -1.29 -0.65 116.25 119.35 1mpe h VAL 29 Ca 0.03 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1mpe h VAL 29 Cb 0.43 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1mpe h VAL 29 CO 0.01 0.30 -0.16 0.58 0.02 0.00 0.00 177.57 178.33 1mpe h VAL 30 N 0.88 1.35 -0.38 2.57 2.07 -0.65 -0.23 116.25 121.87 1mpe h VAL 30 Ca 0.21 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1mpe h VAL 30 Cb 0.24 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1mpe h VAL 30 CO -0.01 0.39 0.14 0.50 0.02 0.00 0.00 177.57 178.61 1mpe h LYS 31 N -0.02 0.57 -0.33 1.57 3.64 -1.24 0.39 116.57 121.15 1mpe h LYS 31 Ca 0.02 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1mpe h LYS 31 Cb 0.69 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1mpe h LYS 31 CO 0.04 0.55 0.15 0.37 -2.27 0.00 0.00 179.45 178.29 1mpe h GLN 32 N 0.46 0.49 -0.19 1.90 5.75 -1.14 0.65 115.11 123.04 1mpe h GLN 32 Ca 0.12 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1mpe h GLN 32 Cb 0.20 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1mpe h GLN 32 CO -0.01 0.47 -0.07 0.35 -2.65 0.00 0.00 178.83 176.92 1mpe h PHE 33 N 0.39 0.42 -0.01 3.99 3.57 -0.88 -3.25 116.94 121.18 1mpe h PHE 33 Ca 0.11 -0.10 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1mpe h PHE 33 Cb 0.15 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1mpe h PHE 33 CO -0.01 0.65 -0.83 0.74 -2.23 0.00 0.00 178.31 176.64 1mpe h PHE 34 N 0.08 0.29 -0.50 0.41 -1.00 -0.18 -3.18 116.94 112.86 1mpe h PHE 34 Ca 0.04 -0.15 0.13 0.00 2.81 0.00 0.00 57.97 60.80 1mpe h PHE 34 Cb 0.53 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 1mpe h PHE 34 CO 0.06 0.94 0.35 -0.91 -1.61 0.00 0.00 178.31 177.14 1mpe h ASN 35 N 0.12 0.06 0.20 2.17 -0.26 0.28 0.91 115.58 119.06 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 1.43 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.68 1mpe h ASN 35 CO 0.13 0.04 0.00 0.44 -1.06 0.00 0.00 177.43 176.97 1mpe h ASP 36 N 0.07 0.00 0.00 5.81 3.32 -1.58 -2.57 116.42 121.47 1mpe h ASP 36 Ca 0.24 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1mpe h ASP 36 Cb 0.85 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1mpe h ASP 36 CO -0.02 0.00 -1.72 -0.46 -1.72 0.00 0.00 179.24 175.32 1mpe n ASN 37 N -2.75 1.53 0.00 6.45 0.23 0.29 -5.00 115.26 116.01 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 1.62 0.00 0.00 -2.08 0.00 0.00 39.78 39.43 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 0.45 3.83 4.83 0.00 -0.97 -5.14 105.19 109.87 1mpe n GLY 38 Ca -0.05 0.00 -0.37 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 -0.94 4.76 0.32 1.61 1.01 -1.11 -4.99 120.40 121.06 1mpe s VAL 39 Ca 0.00 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 1mpe s VAL 39 Cb 0.00 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1mpe s VAL 39 CO 0.00 0.34 0.59 0.47 0.00 0.00 0.00 175.10 176.50 1mpe n ASP 40 N 1.09 -1.71 0.00 3.32 8.00 -1.26 -4.01 116.55 121.98 1mpe n ASP 40 Ca -0.06 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.03 1mpe n ASP 40 Cb 0.51 2.91 0.00 0.00 -0.02 0.00 0.00 41.12 44.52 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 -0.46 0.15 3.22 0.44 0.00 -1.26 -5.07 105.19 102.21 1mpe n GLY 41 Ca -0.05 -1.96 -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 0.80 -0.21 1.61 2.02 -1.26 -5.12 118.70 116.53 1mpe s GLU 42 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 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 -0.25 1.42 -1.58 0.02 0.00 0.00 175.26 174.87 1mpe s TRP 43 N -2.87 2.49 -0.08 1.61 0.52 -1.26 -5.00 118.94 114.35 1mpe s TRP 43 Ca -0.03 0.74 0.01 0.00 0.02 0.00 0.00 56.10 56.84 1mpe s TRP 43 Cb 0.00 -3.81 -0.03 0.00 -1.15 0.00 0.00 33.47 28.49 1mpe s TRP 43 CO -0.05 -2.30 -0.08 0.95 0.02 0.00 0.00 176.95 175.48 1mpe s THR 44 N 4.29 3.59 0.37 2.01 -4.23 -1.26 -5.10 115.64 115.32 1mpe s THR 44 Ca 0.62 -0.51 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 1mpe s THR 44 Cb -0.22 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 1mpe s THR 44 CO 0.23 0.58 1.19 -0.31 -0.54 0.00 0.00 174.62 175.77 1mpe s TYR 45 N -0.64 3.13 0.70 3.99 2.02 -1.26 -5.01 117.35 120.29 1mpe s TYR 45 Ca 0.10 1.54 -0.12 0.00 -0.37 0.00 0.00 57.07 58.22 1mpe s TYR 45 Cb -0.11 -3.44 0.02 0.00 -0.40 0.00 0.00 41.96 38.03 1mpe s TYR 45 CO 0.02 -1.33 1.09 -0.51 -1.57 0.00 0.00 175.55 173.24 1mpe s ASP 46 N -0.97 5.00 0.19 2.29 1.11 -1.26 -4.97 116.67 118.06 1mpe s ASP 46 Ca 0.54 1.83 -0.31 0.00 0.18 0.00 0.00 52.55 54.79 1mpe s ASP 46 Cb -0.33 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.04 1mpe s ASP 46 CO 0.42 -1.70 1.44 1.51 1.18 0.00 0.00 175.17 178.02 1mpe s ASP 47 N -3.18 6.71 0.37 0.27 -4.77 -1.26 -4.94 116.67 109.87 1mpe s ASP 47 Ca 0.62 2.54 -0.27 0.00 -3.30 0.00 0.00 52.55 52.14 1mpe s ASP 47 Cb -0.17 -2.61 -0.11 0.00 -1.09 0.00 0.00 42.92 38.94 1mpe s ASP 47 CO 0.49 -0.70 1.24 0.00 0.70 0.00 0.00 175.17 176.91 1mpe n ALA 48 N 3.17 1.09 -2.39 2.11 0.00 -1.26 -5.02 120.51 118.21 1mpe n ALA 48 Ca 0.10 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 1mpe n ALA 48 Cb 0.41 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 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 0.43 -0.11 0.00 2.01 -1.26 -5.16 115.64 110.42 1mpe s THR 49 Ca 0.58 -1.59 0.02 0.00 0.31 0.00 0.00 61.69 61.00 1mpe s THR 49 Cb -0.56 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 70.74 1mpe s THR 49 CO 0.60 -0.77 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.08 1mpe s LYS 50 N -3.11 2.14 -0.11 4.92 1.02 -1.26 -5.13 119.74 118.21 1mpe s LYS 50 Ca 0.02 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1mpe s LYS 50 Cb 0.01 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 1mpe s LYS 50 CO -0.05 -0.08 -0.06 0.99 -0.92 0.00 0.00 175.35 175.23 1mpe s THR 51 N 1.04 3.69 -0.28 2.17 2.01 -1.26 -5.09 115.64 117.93 1mpe s THR 51 Ca -0.06 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 1mpe s THR 51 Cb -0.15 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1mpe s THR 51 CO -0.02 0.54 1.01 0.12 -0.69 0.00 0.00 174.62 175.59 1mpe s PHE 52 N -0.14 3.24 -0.23 4.92 5.36 -1.26 -5.02 117.98 124.84 1mpe s PHE 52 Ca 0.02 1.26 -0.18 0.00 -0.96 0.00 0.00 56.93 57.07 1mpe s PHE 52 Cb -0.13 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 39.08 1mpe s PHE 52 CO 0.03 -0.61 0.52 0.99 -1.46 0.00 0.00 175.22 174.68 1mpe s THR 53 N 3.35 5.09 0.66 0.12 2.01 -1.26 -5.06 115.64 120.55 1mpe s THR 53 Ca 0.43 0.91 -0.14 0.00 0.31 0.00 0.00 61.69 63.20 1mpe s THR 53 Cb -0.14 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 1mpe s THR 53 CO 0.11 0.13 1.08 -0.69 -0.69 0.00 0.00 174.62 174.56 1mpe s VAL 54 N 2.01 3.53 0.00 3.82 1.01 -1.26 -4.96 120.40 124.55 1mpe s VAL 54 Ca 0.22 0.66 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 33.02 1mpe s VAL 54 CO 0.09 -0.49 0.00 0.41 0.00 0.00 0.00 175.10 175.11 1mpe n THR 55 N -2.51 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 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81