#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 4.21 -0.15 0.03 -2.07 -1.26 -5.07 119.66 115.34 1mpe s GLN 2 Ca 0.00 0.12 -0.04 0.00 -1.82 0.00 0.00 55.36 53.62 1mpe s GLN 2 Cb 0.00 -3.49 -0.03 0.00 -1.09 0.00 0.00 33.01 28.40 1mpe s GLN 2 CO 0.00 0.09 -0.02 0.71 -1.32 0.00 0.00 175.29 174.76 1mpe s TYR 3 N 0.91 3.08 -0.21 9.60 2.02 -1.26 -5.10 117.35 126.39 1mpe s TYR 3 Ca 0.17 -0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.63 1mpe s TYR 3 Cb -0.14 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1mpe s TYR 3 CO 0.06 0.05 0.03 0.21 -1.57 0.00 0.00 175.55 174.33 1mpe s LYS 4 N 0.23 3.68 -0.06 -0.62 2.20 -1.26 -5.09 119.74 118.82 1mpe s LYS 4 Ca -0.01 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1mpe s LYS 4 Cb -0.14 -3.16 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1mpe s LYS 4 CO 0.02 0.00 0.11 0.08 -0.36 0.00 0.00 175.35 175.21 1mpe s VAL 5 N 1.06 -0.12 -0.31 4.02 1.01 -1.26 -5.13 120.40 119.67 1mpe s VAL 5 Ca 0.03 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 1mpe s VAL 5 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1mpe s VAL 5 CO 0.02 0.12 0.39 -0.63 0.00 0.00 0.00 175.10 175.00 1mpe s ILE 6 N 1.64 5.14 -0.22 2.22 1.01 -1.26 -5.06 121.20 124.67 1mpe s ILE 6 Ca -0.03 0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 1mpe s ILE 6 Cb -0.12 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1mpe s ILE 6 CO -0.05 -0.01 0.10 -0.76 0.00 0.00 0.00 174.94 174.22 1mpe s LEU 7 N 2.11 3.82 -0.27 2.97 1.02 -1.26 -5.06 118.68 122.01 1mpe s LEU 7 Ca 0.14 0.01 -0.04 0.00 0.02 0.00 0.00 54.13 54.26 1mpe s LEU 7 Cb -0.16 -2.01 0.14 0.00 0.02 0.00 0.00 46.19 44.19 1mpe s LEU 7 CO 0.11 0.08 0.52 0.21 0.02 0.00 0.00 176.35 177.29 1mpe s ASN 8 N 0.96 -0.70 -0.50 2.29 3.84 -1.19 -4.77 114.94 114.87 1mpe s ASN 8 Ca 0.05 0.86 -0.02 0.00 0.21 0.00 0.00 52.86 53.96 1mpe s ASN 8 Cb -0.14 1.76 0.23 0.00 -0.55 0.00 0.00 41.25 42.55 1mpe s ASN 8 CO 0.03 -0.26 2.28 0.61 -2.79 0.00 0.00 177.10 176.97 1mpe n GLY 9 N 5.41 4.71 1.44 1.21 0.00 -1.04 -4.89 105.19 112.03 1mpe n GLY 9 Ca -0.05 -1.77 0.19 0.00 0.00 0.00 0.00 46.02 44.38 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 0.16 -3.05 -2.72 1.61 5.02 -1.26 -4.73 118.16 113.19 1mpe n LYS 10 Ca 0.46 2.21 -0.23 0.00 -2.02 0.00 0.00 58.31 58.73 1mpe n LYS 10 Cb 0.54 -3.67 0.10 0.00 -0.02 0.00 0.00 35.03 31.99 1mpe n LYS 10 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mpe s THR 11 N -2.97 2.06 0.34 -0.18 2.01 -1.26 -5.00 115.64 110.64 1mpe s THR 11 Ca 0.00 -0.71 0.12 0.00 0.31 0.00 0.00 61.69 61.41 1mpe s THR 11 Cb 0.00 -2.35 0.06 0.00 0.01 0.00 0.00 72.50 70.22 1mpe s THR 11 CO 0.00 0.00 1.76 0.17 -0.69 0.00 0.00 174.62 175.86 1mpe h LEU 12 N -0.40 0.00 -8.86 4.42 -0.00 -1.92 -3.42 115.31 105.13 1mpe h LEU 12 Ca -0.33 -0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 56.92 1mpe h LEU 12 Cb 1.27 -0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.79 1mpe h LEU 12 CO 0.39 0.44 0.01 -0.54 -0.00 0.00 0.00 178.44 178.74 1mpe s LYS 13 N -4.02 3.84 0.00 0.17 1.02 -1.26 -4.76 119.74 114.73 1mpe s LYS 13 Ca -0.02 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1mpe s LYS 13 Cb 0.14 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1mpe s LYS 13 CO 0.74 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1mpe n GLY 14 N 4.58 -0.22 2.93 -3.33 0.00 -1.26 -5.11 105.19 102.77 1mpe n GLY 14 Ca -0.04 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.22 0.46 1.61 2.02 -1.26 -5.12 118.70 116.63 1mpe s GLU 15 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1mpe s GLU 15 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1mpe s GLU 15 CO 0.00 0.03 0.00 -2.37 0.02 0.00 0.00 175.26 172.94 1mpe n THR 16 N 2.71 0.00 -3.81 3.63 5.66 -1.26 -5.01 114.28 116.20 1mpe n THR 16 Ca -0.15 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 1mpe n THR 16 Cb 0.58 -0.05 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 1mpe n THR 16 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1mpe n THR 17 N -0.94 0.00 0.00 1.09 -2.24 -1.26 -4.95 114.28 105.98 1mpe n THR 17 Ca 0.00 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1mpe n THR 17 Cb 0.06 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1mpe n THR 17 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1mpe n THR 18 N -0.52 0.00 -1.39 4.28 -2.24 -1.26 -4.91 114.28 108.24 1mpe n THR 18 Ca -0.07 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 1mpe n THR 18 Cb 0.57 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 1mpe n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mpe n GLU 19 N 0.00 -2.83 -0.11 -0.78 -0.58 -1.26 -4.69 120.64 110.39 1mpe n GLU 19 Ca 0.00 1.94 -0.15 0.00 -0.42 0.00 0.00 57.16 58.54 1mpe n GLU 19 Cb 0.00 -3.44 -0.14 0.00 -0.57 0.00 0.00 31.44 27.29 1mpe n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mpe n ALA 20 N -2.49 1.45 -1.31 0.62 0.00 -1.26 -4.62 120.51 112.90 1mpe n ALA 20 Ca -0.00 -1.18 -0.38 0.00 0.00 0.00 0.00 53.44 51.87 1mpe n ALA 20 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1mpe n ALA 20 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1mpe n VAL 21 N -3.05 3.01 -4.01 0.00 3.14 -1.26 -4.75 118.33 111.42 1mpe n VAL 21 Ca -0.39 -2.26 -0.32 0.00 -2.96 0.00 0.00 64.34 58.41 1mpe n VAL 21 Cb 1.06 -2.45 -0.06 0.00 -1.06 0.00 0.00 33.84 31.34 1mpe n VAL 21 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1mpe s ASP 22 N 3.50 5.93 0.25 6.55 1.11 -1.26 -2.50 116.67 130.26 1mpe s ASP 22 Ca 0.53 0.18 -0.02 0.00 0.18 0.00 0.00 52.55 53.41 1mpe s ASP 22 Cb 0.14 -1.74 0.49 0.00 1.07 0.00 0.00 42.92 42.88 1mpe s ASP 22 CO -0.02 0.22 1.76 0.00 1.18 0.00 0.00 175.17 178.32 1mpe h ALA 23 N 3.63 1.20 -0.18 5.23 0.00 -1.90 0.73 119.26 127.98 1mpe h ALA 23 Ca -0.48 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1mpe h ALA 23 Cb 1.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1mpe h ALA 23 CO 0.67 -0.10 -0.30 0.00 0.00 0.00 0.00 179.25 179.52 1mpe h ALA 24 N 1.54 1.16 -0.75 0.00 0.00 -1.96 -2.80 119.26 116.46 1mpe h ALA 24 Ca 0.44 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1mpe h ALA 24 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1mpe h ALA 24 CO -0.35 0.54 0.32 1.15 0.00 0.00 0.00 179.25 180.91 1mpe h THR 25 N 0.30 1.25 0.11 0.00 2.02 -1.18 -1.75 112.91 113.66 1mpe h THR 25 Ca 0.04 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1mpe h THR 25 Cb 0.69 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1mpe h THR 25 CO 0.05 0.31 -0.05 0.15 0.37 0.00 0.00 175.52 176.34 1mpe h PHE 26 N 1.08 -0.14 -0.27 3.16 3.57 -1.10 -0.52 116.94 122.71 1mpe h PHE 26 Ca 0.25 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1mpe h PHE 26 Cb 0.17 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1mpe h PHE 26 CO 0.02 0.09 -0.01 0.93 -2.23 0.00 0.00 178.31 177.11 1mpe h GLU 27 N -0.36 0.06 -0.06 1.11 5.08 -1.32 0.21 114.58 119.30 1mpe h GLU 27 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1mpe h GLU 27 Cb 0.30 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1mpe h GLU 27 CO 0.03 0.04 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.84 1mpe h LYS 28 N 0.06 0.12 -0.48 2.33 3.64 -1.32 -1.00 116.57 119.93 1mpe h LYS 28 Ca 0.13 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1mpe h LYS 28 Cb 0.17 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1mpe h LYS 28 CO -0.23 0.47 0.13 0.28 -2.27 0.00 0.00 179.45 177.83 1mpe h VAL 29 N -0.23 1.23 -0.29 2.00 2.07 -0.99 -0.63 116.25 119.41 1mpe h VAL 29 Ca 0.02 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 1mpe h VAL 29 Cb 0.43 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1mpe h VAL 29 CO 0.01 0.29 -0.15 0.58 0.02 0.00 0.00 177.57 178.32 1mpe h VAL 30 N 0.64 1.29 -0.34 2.57 2.07 -0.63 0.20 116.25 122.06 1mpe h VAL 30 Ca 0.15 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1mpe h VAL 30 Cb 0.31 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1mpe h VAL 30 CO -0.00 0.40 0.02 0.50 0.02 0.00 0.00 177.57 178.51 1mpe h LYS 31 N 0.37 0.59 -0.57 1.57 3.64 -1.15 0.42 116.57 121.43 1mpe h LYS 31 Ca 0.06 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1mpe h LYS 31 Cb 0.67 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1mpe h LYS 31 CO 0.04 0.69 0.09 0.37 -2.27 0.00 0.00 179.45 178.38 1mpe h GLN 32 N 0.40 0.95 -0.05 1.90 5.75 -1.11 0.25 115.11 123.20 1mpe h GLN 32 Ca 0.10 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 1mpe h GLN 32 Cb 0.42 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 1mpe h GLN 32 CO 0.01 0.91 -0.03 0.35 -2.65 0.00 0.00 178.83 177.42 1mpe h PHE 33 N 0.84 0.13 0.01 3.99 3.57 -0.86 -3.28 116.94 121.33 1mpe h PHE 33 Ca 0.17 -0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 1mpe h PHE 33 Cb 0.42 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1mpe h PHE 33 CO 0.03 0.50 -0.90 0.74 -2.23 0.00 0.00 178.31 176.45 1mpe h PHE 34 N -0.28 0.08 -0.39 0.41 0.04 -0.93 -3.21 116.94 112.66 1mpe h PHE 34 Ca 0.01 -0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.85 1mpe h PHE 34 Cb 0.47 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1mpe h PHE 34 CO 0.07 0.92 0.33 -0.91 -0.60 0.00 0.00 178.31 178.12 1mpe h ASN 35 N 0.02 0.00 0.10 2.17 -0.26 -0.57 0.11 115.58 117.15 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 1.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.84 1mpe h ASN 35 CO 0.12 0.00 0.00 0.44 -1.06 0.00 0.00 177.43 176.93 1mpe h ASP 36 N 0.00 0.00 0.00 5.81 3.32 -1.61 -1.84 116.42 122.09 1mpe h ASP 36 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1mpe h ASP 36 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1mpe h ASP 36 CO -0.00 0.00 -1.35 -0.46 -1.72 0.00 0.00 179.24 175.71 1mpe n ASN 37 N -2.66 0.97 0.00 6.45 0.23 0.38 -4.98 115.26 115.65 1mpe n ASN 37 Ca -0.02 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.65 1mpe n ASN 37 Cb 0.08 1.45 0.00 0.00 -2.08 0.00 0.00 39.78 39.22 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 1.47 1.11 3.83 4.83 0.00 -0.69 -5.14 105.19 110.61 1mpe n GLY 38 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.34 4.78 0.35 1.61 1.01 -1.20 -5.00 120.40 120.61 1mpe s VAL 39 Ca 0.00 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.90 1mpe s VAL 39 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1mpe s VAL 39 CO 0.00 0.34 0.62 0.47 0.00 0.00 0.00 175.10 176.53 1mpe n ASP 40 N 1.10 -1.78 0.00 3.32 9.92 -1.26 -4.17 116.55 123.68 1mpe n ASP 40 Ca -0.07 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.64 1mpe n ASP 40 Cb 0.51 3.06 0.00 0.00 -0.64 0.00 0.00 41.12 44.06 1mpe n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mpe n GLY 41 N -0.50 0.16 3.26 0.44 0.00 -1.26 -5.07 105.19 102.22 1mpe n GLY 41 Ca -0.05 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 0.89 -0.25 1.61 2.02 -1.26 -5.12 118.70 116.59 1mpe s GLU 42 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1mpe s GLU 42 Cb 0.00 0.38 -0.01 0.00 0.10 0.00 0.00 34.13 34.60 1mpe s GLU 42 CO 0.00 -0.30 1.38 -1.58 0.02 0.00 0.00 175.26 174.77 1mpe s TRP 43 N -3.17 2.56 -0.06 1.61 0.52 -1.26 -5.01 118.94 114.14 1mpe s TRP 43 Ca -0.01 0.80 0.01 0.00 0.02 0.00 0.00 56.10 56.92 1mpe s TRP 43 Cb 0.01 -3.85 -0.03 0.00 -1.15 0.00 0.00 33.47 28.46 1mpe s TRP 43 CO -0.07 -2.06 -0.05 0.95 0.02 0.00 0.00 176.95 175.74 1mpe s THR 44 N 4.38 3.83 0.36 2.01 -4.23 -1.26 -5.10 115.64 115.62 1mpe s THR 44 Ca 0.60 -0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 60.35 1mpe s THR 44 Cb -0.20 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 1mpe s THR 44 CO 0.23 0.55 1.16 -0.31 -0.54 0.00 0.00 174.62 175.71 1mpe s TYR 45 N -0.87 3.23 0.74 3.99 2.02 -1.26 -5.02 117.35 120.18 1mpe s TYR 45 Ca 0.14 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.32 1mpe s TYR 45 Cb -0.11 -3.37 0.03 0.00 -0.40 0.00 0.00 41.96 38.11 1mpe s TYR 45 CO 0.03 -1.10 1.08 -0.51 -1.57 0.00 0.00 175.55 173.48 1mpe s ASP 46 N -1.01 4.90 0.23 2.29 1.11 -1.26 -4.98 116.67 117.96 1mpe s ASP 46 Ca 0.52 1.72 -0.30 0.00 0.18 0.00 0.00 52.55 54.68 1mpe s ASP 46 Cb -0.31 -2.51 -0.10 0.00 1.07 0.00 0.00 42.92 41.07 1mpe s ASP 46 CO 0.40 -1.77 1.40 -1.81 1.18 0.00 0.00 175.17 174.57 1mpe s ASP 47 N -3.58 6.73 0.33 0.27 1.11 -1.26 -4.94 116.67 115.34 1mpe s ASP 47 Ca 0.60 2.58 -0.28 0.00 0.18 0.00 0.00 52.55 55.63 1mpe s ASP 47 Cb -0.16 -2.62 -0.12 0.00 1.07 0.00 0.00 42.92 41.09 1mpe s ASP 47 CO 0.56 -0.65 1.28 0.00 1.18 0.00 0.00 175.17 177.54 1mpe n ALA 48 N 2.45 1.19 -2.42 5.23 0.00 -1.26 -5.01 120.51 120.68 1mpe n ALA 48 Ca 0.07 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 1mpe n ALA 48 Cb 0.41 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.04 1.29 -0.14 0.00 2.01 -1.26 -5.15 115.64 111.35 1mpe s THR 49 Ca 0.56 -1.83 0.00 0.00 0.31 0.00 0.00 61.69 60.73 1mpe s THR 49 Cb -0.58 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1mpe s THR 49 CO 0.61 -0.52 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.35 1mpe s LYS 50 N -3.02 2.14 -0.14 4.92 1.02 -1.26 -5.12 119.74 118.28 1mpe s LYS 50 Ca 0.12 -0.51 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 1mpe s LYS 50 Cb -0.03 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1mpe s LYS 50 CO 0.02 -0.25 -0.05 0.99 -0.92 0.00 0.00 175.35 175.14 1mpe s THR 51 N 1.53 3.74 -0.35 2.17 2.01 -1.26 -5.08 115.64 118.40 1mpe s THR 51 Ca 0.05 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1mpe s THR 51 Cb -0.13 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1mpe s THR 51 CO -0.10 0.51 1.06 0.12 -0.69 0.00 0.00 174.62 175.52 1mpe s PHE 52 N 0.26 3.08 -0.20 4.92 5.36 -1.26 -5.01 117.98 125.12 1mpe s PHE 52 Ca -0.04 1.05 -0.20 0.00 -0.96 0.00 0.00 56.93 56.78 1mpe s PHE 52 Cb -0.14 -3.81 -0.03 0.00 -0.34 0.00 0.00 43.02 38.70 1mpe s PHE 52 CO 0.03 -0.86 0.61 0.99 -1.46 0.00 0.00 175.22 174.53 1mpe s THR 53 N 3.76 5.03 0.64 0.12 2.01 -1.26 -5.05 115.64 120.89 1mpe s THR 53 Ca 0.45 1.14 -0.15 0.00 0.31 0.00 0.00 61.69 63.43 1mpe s THR 53 Cb -0.11 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1mpe s THR 53 CO 0.19 0.11 1.09 -0.69 -0.69 0.00 0.00 174.62 174.63 1mpe s VAL 54 N 1.93 3.45 0.02 3.82 1.01 -1.26 -4.96 120.40 124.41 1mpe s VAL 54 Ca 0.28 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1mpe s VAL 54 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1mpe s VAL 54 CO 0.10 -0.42 0.00 0.41 0.00 0.00 0.00 175.10 175.19 1mpe n THR 55 N -2.31 0.00 -0.51 3.92 -1.04 -1.26 -5.34 114.28 107.74 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 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1mpe n THR 55 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81