#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fcc n THR 2 N 0.00 -5.76 -4.98 4.28 -1.04 -1.24 -4.95 114.28 100.58 1fcc n THR 2 Ca 0.00 0.75 -0.31 0.00 -2.04 0.00 0.00 64.05 62.45 1fcc n THR 2 Cb 0.00 -4.81 -0.14 0.00 -1.82 0.00 0.00 70.33 63.56 1fcc n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1fcc s TYR 3 N -0.42 2.49 0.02 -1.42 2.02 -0.64 -4.93 117.35 114.46 1fcc s TYR 3 Ca -0.04 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 1fcc s TYR 3 Cb 0.00 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1fcc s TYR 3 CO 0.27 0.12 -0.17 -1.59 -1.57 0.00 0.00 175.55 172.60 1fcc s LYS 4 N -0.93 2.20 -0.07 -0.62 -2.85 -1.13 -0.55 119.74 115.79 1fcc s LYS 4 Ca 0.12 -0.90 -0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1fcc s LYS 4 Cb -0.10 -2.24 -0.03 0.00 -2.06 0.00 0.00 37.83 33.40 1fcc s LYS 4 CO 0.01 0.56 -0.02 -1.17 0.10 0.00 0.00 175.35 174.84 1fcc s LEU 5 N -1.24 3.47 -0.28 2.77 2.96 0.17 -1.61 118.68 124.92 1fcc s LEU 5 Ca 0.14 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1fcc s LEU 5 Cb -0.11 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.81 1fcc s LEU 5 CO 0.04 0.36 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.72 1fcc s VAL 6 N -0.90 2.95 -0.49 1.68 1.01 0.35 -1.83 120.40 123.17 1fcc s VAL 6 Ca 0.14 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1fcc s VAL 6 Cb -0.11 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.75 1fcc s VAL 6 CO 0.03 0.02 0.42 -0.63 0.00 0.00 0.00 175.10 174.95 1fcc s ILE 7 N 1.29 5.09 -0.99 2.22 1.01 -0.41 -0.14 121.20 129.27 1fcc s ILE 7 Ca -0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 1fcc s ILE 7 Cb -0.18 -4.14 0.31 0.00 0.01 0.00 0.00 42.46 38.46 1fcc s ILE 7 CO -0.02 -0.69 1.57 0.59 0.00 0.00 0.00 174.94 176.39 1fcc n ASN 8 N 5.18 6.60 -4.91 3.58 3.02 0.67 -2.11 115.26 127.30 1fcc n ASN 8 Ca -0.13 -3.57 -0.20 0.00 -0.03 0.00 0.00 54.58 50.65 1fcc n ASN 8 Cb 0.42 -1.14 -0.02 0.00 -0.61 0.00 0.00 39.78 38.43 1fcc n ASN 8 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1fcc s GLY 9 N -1.75 1.67 0.13 7.41 0.00 -0.67 -2.36 107.32 111.75 1fcc s GLY 9 Ca 0.37 -1.55 -0.35 0.00 0.00 0.00 0.00 44.72 43.18 1fcc s GLY 9 CO -0.03 -1.48 1.45 0.28 0.00 0.00 0.00 173.10 173.32 1fcc n LYS 10 N -1.47 1.64 -3.50 2.90 5.02 -1.26 -2.41 118.16 119.09 1fcc n LYS 10 Ca -0.02 0.59 -0.24 0.00 -2.02 0.00 0.00 58.31 56.63 1fcc n LYS 10 Cb 0.59 -2.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.28 1fcc n LYS 10 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fcc n THR 11 N 2.91 -0.51 -3.15 -0.18 -2.24 -1.26 -4.83 114.28 105.02 1fcc n THR 11 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1fcc n THR 11 Cb 0.24 -1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1fcc n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1fcc s LEU 12 N -6.37 -1.06 -0.06 3.22 2.96 -1.01 -5.16 118.68 111.19 1fcc s LEU 12 Ca 0.43 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 1fcc s LEU 12 Cb -0.24 1.69 -0.02 0.00 0.50 0.00 0.00 46.19 48.12 1fcc s LEU 12 CO 0.53 -0.20 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.68 1fcc s LYS 13 N 2.89 2.63 0.00 1.98 1.02 -1.26 -1.68 119.74 125.32 1fcc s LYS 13 Ca 0.17 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1fcc s LYS 13 Cb -0.07 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1fcc s LYS 13 CO -0.24 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1fcc n GLY 14 N 2.48 -1.61 3.34 -3.33 0.00 -0.90 -5.01 105.19 100.17 1fcc n GLY 14 Ca -0.17 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 1fcc n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fcc s GLU 15 N -1.60 0.85 0.20 1.61 -1.05 -1.26 -1.29 118.70 116.16 1fcc s GLU 15 Ca 0.00 -0.10 -0.10 0.00 -0.15 0.00 0.00 54.97 54.62 1fcc s GLU 15 Cb 0.00 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1fcc s GLU 15 CO 0.00 -0.26 0.34 0.99 0.95 0.00 0.00 175.26 177.29 1fcc s THR 16 N -1.57 0.03 0.17 1.83 2.01 -0.76 -4.97 115.64 112.38 1fcc s THR 16 Ca -0.11 -1.46 0.07 0.00 0.31 0.00 0.00 61.69 60.51 1fcc s THR 16 Cb -0.03 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1fcc s THR 16 CO 0.04 -0.13 -0.15 0.42 -0.69 0.00 0.00 174.62 174.11 1fcc s THR 17 N -4.01 1.62 -0.12 -0.82 -4.23 -1.26 0.42 115.64 107.24 1fcc s THR 17 Ca 0.22 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.56 1fcc s THR 17 Cb 0.02 -1.88 0.03 0.00 1.34 0.00 0.00 72.50 72.02 1fcc s THR 17 CO 0.05 -0.51 0.37 -0.89 -0.54 0.00 0.00 174.62 173.10 1fcc s THR 18 N -2.64 0.01 -0.21 3.99 2.01 0.29 -4.98 115.64 114.10 1fcc s THR 18 Ca 0.18 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1fcc s THR 18 Cb -0.02 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1fcc s THR 18 CO 0.05 -0.04 0.79 -0.70 -0.69 0.00 0.00 174.62 174.03 1fcc s GLU 19 N -0.08 4.23 0.21 4.92 2.56 -1.26 -1.62 118.70 127.65 1fcc s GLU 19 Ca -0.02 0.90 -0.10 0.00 0.00 0.00 0.00 54.97 55.75 1fcc s GLU 19 Cb -0.03 -3.61 -0.01 0.00 2.00 0.00 0.00 34.13 32.48 1fcc s GLU 19 CO 0.01 -0.40 0.35 0.00 -0.56 0.00 0.00 175.26 174.66 1fcc s ALA 20 N 2.42 0.06 0.00 6.30 0.00 -1.26 -4.92 121.76 124.36 1fcc s ALA 20 Ca 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1fcc s ALA 20 Cb -0.16 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1fcc s ALA 20 CO 0.10 -0.73 0.00 0.28 0.00 0.00 0.00 175.76 175.40 1fcc n VAL 21 N -0.30 0.00 -1.90 0.00 0.31 -1.26 -4.35 118.33 110.83 1fcc n VAL 21 Ca -0.03 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.01 1fcc n VAL 21 Cb 0.63 -0.06 0.05 0.00 -0.91 0.00 0.00 33.84 33.55 1fcc n VAL 21 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1fcc s ASP 22 N -1.05 5.42 0.28 4.52 1.47 -1.26 -4.61 116.67 121.44 1fcc s ASP 22 Ca 0.00 1.11 -0.02 0.00 1.18 0.00 0.00 52.55 54.82 1fcc s ASP 22 Cb 0.00 -1.90 0.38 0.00 -0.34 0.00 0.00 42.92 41.06 1fcc s ASP 22 CO 0.00 -1.35 1.82 0.00 0.68 0.00 0.00 175.17 176.31 1fcc h ALA 23 N -0.66 1.20 0.00 2.11 0.00 -2.00 -1.61 119.26 118.29 1fcc h ALA 23 Ca -0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1fcc h ALA 23 Cb 1.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1fcc h ALA 23 CO 0.64 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 180.39 1fcc h ALA 24 N 1.33 1.38 -0.57 0.00 0.00 -1.99 0.16 119.26 119.57 1fcc h ALA 24 Ca 0.18 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1fcc h ALA 24 Cb 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 1fcc h ALA 24 CO -0.00 0.06 0.26 2.41 0.00 0.00 0.00 179.25 181.98 1fcc n THR 25 N -3.70 2.28 -0.03 0.00 -1.04 -0.61 -2.34 114.28 108.84 1fcc n THR 25 Ca -0.02 -1.18 -0.08 0.00 -2.04 0.00 0.00 64.05 60.72 1fcc n THR 25 Cb 0.14 -0.51 -0.03 0.00 -1.82 0.00 0.00 70.33 68.11 1fcc n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fcc n ALA 26 N -0.18 2.30 -0.10 2.41 0.00 0.45 -4.21 120.51 121.18 1fcc n ALA 26 Ca 0.32 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1fcc n ALA 26 Cb 1.15 0.30 -0.04 0.00 0.00 0.00 0.00 19.45 20.86 1fcc n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1fcc h GLU 27 N -0.36 -0.33 -0.41 0.00 4.81 -1.16 0.40 114.58 117.52 1fcc h GLU 27 Ca -0.17 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1fcc h GLU 27 Cb 0.93 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1fcc h GLU 27 CO -0.10 -0.22 0.28 0.87 -0.73 0.00 0.00 179.01 179.10 1fcc h LYS 28 N -0.34 0.33 0.03 1.92 1.57 -1.72 0.33 116.57 118.68 1fcc h LYS 28 Ca 0.13 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1fcc h LYS 28 Cb 0.58 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1fcc h LYS 28 CO -0.53 0.22 -0.01 0.28 -0.57 0.00 0.00 179.45 178.84 1fcc h VAL 29 N 0.34 0.00 -0.27 0.50 2.07 -0.51 -2.95 116.25 115.43 1fcc h VAL 29 Ca 0.18 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1fcc h VAL 29 Cb 0.28 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.97 1fcc h VAL 29 CO -0.04 0.00 -0.40 -0.26 0.02 0.00 0.00 177.57 176.89 1fcc h PHE 30 N -0.07 -1.16 -1.25 1.57 0.04 -0.69 0.12 116.94 115.51 1fcc h PHE 30 Ca -0.00 0.06 0.37 0.00 2.80 0.00 0.00 57.97 61.19 1fcc h PHE 30 Cb 0.03 0.55 -0.10 0.00 2.20 0.00 0.00 35.95 38.62 1fcc h PHE 30 CO 0.11 -0.44 0.82 0.87 -0.60 0.00 0.00 178.31 179.07 1fcc h LYS 31 N -0.39 0.17 -0.14 1.51 1.57 -0.47 1.06 116.57 119.87 1fcc h LYS 31 Ca 0.11 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1fcc h LYS 31 Cb 0.59 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1fcc h LYS 31 CO -0.48 0.11 -0.42 0.37 -0.57 0.00 0.00 179.45 178.46 1fcc h GLN 32 N 0.18 0.54 -0.79 3.15 5.75 -0.59 -2.57 115.11 120.77 1fcc h GLN 32 Ca 0.71 -0.39 0.14 0.00 -0.15 0.00 0.00 58.65 58.97 1fcc h GLN 32 Cb 2.23 0.06 -0.10 0.00 1.07 0.00 0.00 27.48 30.75 1fcc h GLN 32 CO -0.29 1.01 0.35 -0.92 -2.65 0.00 0.00 178.83 176.32 1fcc h TYR 33 N 0.16 0.60 -0.89 3.99 5.03 0.18 0.17 116.97 126.21 1fcc h TYR 33 Ca -0.01 0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.45 1fcc h TYR 33 Cb 1.04 -0.14 -0.07 0.00 1.55 0.00 0.00 36.73 39.11 1fcc h TYR 33 CO 0.10 0.10 0.57 0.00 -1.32 0.00 0.00 178.16 177.61 1fcc h ALA 34 N 1.55 1.72 0.00 1.82 0.00 -0.39 0.26 119.26 124.22 1fcc h ALA 34 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1fcc h ALA 34 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1fcc h ALA 34 CO -0.39 0.08 -0.87 0.09 0.00 0.00 0.00 179.25 178.16 1fcc n ASN 35 N -4.55 0.67 0.22 0.00 3.02 -0.08 -0.62 115.26 113.92 1fcc n ASN 35 Ca 0.16 0.01 0.15 0.00 -0.03 0.00 0.00 54.58 54.87 1fcc n ASN 35 Cb 0.37 0.50 0.49 0.00 -0.61 0.00 0.00 39.78 40.53 1fcc n ASN 35 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1fcc h ASP 36 N 0.00 0.00 -0.00 6.41 5.19 0.13 -3.23 116.42 124.92 1fcc h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1fcc h ASP 36 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1fcc h ASP 36 CO 0.00 0.00 -0.53 0.59 -3.12 0.00 0.00 179.24 176.18 1fcc n ASN 37 N -2.88 0.65 0.00 6.45 3.02 -0.60 -5.01 115.26 116.88 1fcc n ASN 37 Ca 0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1fcc n ASN 37 Cb 0.37 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1fcc n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fcc n GLY 38 N 1.25 0.59 3.88 7.41 0.00 -0.98 -5.04 105.19 112.29 1fcc n GLY 38 Ca 0.03 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 1fcc n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fcc s VAL 39 N -2.00 5.17 -0.25 1.61 1.01 0.20 -5.02 120.40 121.13 1fcc s VAL 39 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1fcc s VAL 39 Cb 0.00 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.88 1fcc s VAL 39 CO 0.00 0.29 0.51 -0.62 0.00 0.00 0.00 175.10 175.28 1fcc s ASP 40 N -1.80 -0.60 0.00 3.32 -1.08 -1.26 -4.39 116.67 110.86 1fcc s ASP 40 Ca 0.32 1.07 0.00 0.00 -0.52 0.00 0.00 52.55 53.42 1fcc s ASP 40 Cb -0.14 1.71 0.00 0.00 -1.46 0.00 0.00 42.92 43.04 1fcc s ASP 40 CO 0.18 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.24 1fcc n GLY 41 N 5.41 2.79 3.87 2.66 0.00 -1.26 -4.33 105.19 114.33 1fcc n GLY 41 Ca -0.08 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1fcc n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fcc s GLU 42 N 1.81 3.25 0.24 1.61 2.02 -1.05 -4.86 118.70 121.73 1fcc s GLU 42 Ca 0.00 -0.55 0.12 0.00 0.02 0.00 0.00 54.97 54.56 1fcc s GLU 42 Cb 0.00 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1fcc s GLU 42 CO 0.00 0.58 -0.21 -1.58 0.02 0.00 0.00 175.26 174.07 1fcc s TRP 43 N -1.50 2.31 0.04 1.61 0.52 -1.25 -2.27 118.94 118.39 1fcc s TRP 43 Ca 0.33 -0.34 -0.15 0.00 0.02 0.00 0.00 56.10 55.96 1fcc s TRP 43 Cb -0.12 -1.06 0.03 0.00 -1.15 0.00 0.00 33.47 31.16 1fcc s TRP 43 CO 0.26 0.63 0.34 0.95 0.02 0.00 0.00 176.95 179.15 1fcc s THR 44 N -2.17 0.07 0.00 2.01 -4.23 -1.04 -4.95 115.64 105.33 1fcc s THR 44 Ca 0.26 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1fcc s THR 44 Cb -0.06 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1fcc s THR 44 CO 0.13 -0.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.88 1fcc n TYR 45 N 0.60 0.00 0.00 3.99 9.36 -1.25 -0.82 117.16 129.03 1fcc n TYR 45 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1fcc n TYR 45 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 1fcc n TYR 45 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1fcc n ASP 46 N 0.00 0.00 0.01 2.98 -0.08 -1.10 -4.67 116.55 113.69 1fcc n ASP 46 Ca 0.00 0.00 0.22 0.00 -1.51 0.00 0.00 54.79 53.50 1fcc n ASP 46 Cb 0.00 0.00 0.59 0.00 2.34 0.00 0.00 41.12 44.05 1fcc n ASP 46 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1fcc h ASP 47 N 0.00 0.00 -0.85 1.67 1.82 -1.94 1.65 116.42 118.76 1fcc h ASP 47 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.72 1fcc h ASP 47 Cb 0.00 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 1fcc h ASP 47 CO 0.00 0.00 0.51 0.00 -1.61 0.00 0.00 179.24 178.14 1fcc h ALA 48 N 1.03 1.20 -0.01 -0.78 0.00 -1.98 -2.94 119.26 115.78 1fcc h ALA 48 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1fcc h ALA 48 Cb 1.80 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1fcc h ALA 48 CO -0.00 0.19 -0.23 0.25 0.00 0.00 0.00 179.25 179.46 1fcc n THR 49 N -4.68 0.00 -3.78 0.00 -2.24 0.50 -5.00 114.28 99.09 1fcc n THR 49 Ca 0.13 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 1fcc n THR 49 Cb 0.23 1.11 0.04 0.00 -2.10 0.00 0.00 70.33 69.61 1fcc n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fcc n LYS 50 N -0.36 -5.65 -4.49 -0.78 5.02 0.20 -4.86 118.16 107.24 1fcc n LYS 50 Ca 0.04 0.64 -0.24 0.00 -2.02 0.00 0.00 58.31 56.73 1fcc n LYS 50 Cb 0.20 -5.44 -0.10 0.00 -0.02 0.00 0.00 35.03 29.67 1fcc n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1fcc s THR 51 N -3.44 2.32 0.09 -0.18 2.01 -1.22 -2.83 115.64 112.40 1fcc s THR 51 Ca 0.39 -2.31 0.07 0.00 0.31 0.00 0.00 61.69 60.14 1fcc s THR 51 Cb -0.19 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1fcc s THR 51 CO 0.81 -0.33 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.87 1fcc s PHE 52 N -2.59 1.48 -0.06 4.92 0.40 -0.63 -2.72 117.98 118.78 1fcc s PHE 52 Ca 0.31 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1fcc s PHE 52 Cb -0.02 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.72 1fcc s PHE 52 CO 0.15 0.13 0.04 0.99 0.70 0.00 0.00 175.22 177.23 1fcc s THR 53 N -1.24 0.06 -0.26 0.64 2.01 -0.00 -0.50 115.64 116.35 1fcc s THR 53 Ca 0.02 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1fcc s THR 53 Cb -0.10 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1fcc s THR 53 CO 0.03 0.16 0.16 -0.69 -0.69 0.00 0.00 174.62 173.58 1fcc s VAL 54 N 2.10 5.16 -0.37 3.82 1.01 0.81 -2.50 120.40 130.43 1fcc s VAL 54 Ca 0.05 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1fcc s VAL 54 Cb -0.13 -3.43 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1fcc s VAL 54 CO -0.04 0.31 0.11 -0.89 0.00 0.00 0.00 175.10 174.59 1fcc s THR 55 N 1.41 1.86 -2.00 3.92 2.01 -0.96 -0.24 115.64 121.64 1fcc s THR 55 Ca 0.07 -2.25 0.05 0.00 0.31 0.00 0.00 61.69 59.86 1fcc s THR 55 Cb -0.15 -2.36 0.13 0.00 0.01 0.00 0.00 72.50 70.13 1fcc s THR 55 CO 0.07 -0.68 0.75 -0.62 -0.69 0.00 0.00 174.62 173.45