#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwd s GLN 2 N 0.00 1.52 0.04 3.17 -0.21 -1.26 -2.44 119.66 120.48 2kwd s GLN 2 Ca 0.00 -1.29 0.07 0.00 0.02 0.00 0.00 55.36 54.16 2kwd s GLN 2 Cb 0.00 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.02 2kwd s GLN 2 CO 0.00 0.46 -0.19 0.71 -2.12 0.00 0.00 175.29 174.15 2kwd s TYR 3 N -1.06 2.53 -0.13 0.91 2.02 -0.87 -4.79 117.35 115.96 2kwd s TYR 3 Ca 0.15 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 2kwd s TYR 3 Cb -0.10 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2kwd s TYR 3 CO 0.07 0.24 -0.21 0.21 -1.57 0.00 0.00 175.55 174.29 2kwd s LYS 4 N -1.42 3.08 -0.17 -0.62 2.20 -0.29 -2.17 119.74 120.34 2kwd s LYS 4 Ca 0.14 -0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 2kwd s LYS 4 Cb -0.10 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 2kwd s LYS 4 CO 0.05 0.05 0.03 -1.17 -0.36 0.00 0.00 175.35 173.95 2kwd s LEU 5 N 0.67 3.60 -0.16 5.43 1.98 0.43 0.11 118.68 130.74 2kwd s LEU 5 Ca -0.10 -0.00 -0.11 0.00 -2.89 0.00 0.00 54.13 51.02 2kwd s LEU 5 Cb -0.16 -1.90 -0.05 0.00 0.66 0.00 0.00 46.19 44.74 2kwd s LEU 5 CO 0.02 0.17 0.22 -0.63 -1.89 0.00 0.00 176.35 174.23 2kwd s ILE 6 N 0.41 5.36 -0.38 6.68 -1.09 0.23 0.45 121.20 132.86 2kwd s ILE 6 Ca 0.01 0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 58.61 2kwd s ILE 6 Cb -0.13 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2kwd s ILE 6 CO 0.01 0.46 0.61 -0.76 -1.23 0.00 0.00 174.94 174.03 2kwd s LEU 7 N 0.08 4.36 -0.42 2.97 1.02 -0.73 -3.23 118.68 122.73 2kwd s LEU 7 Ca 0.14 -0.05 0.02 0.00 0.02 0.00 0.00 54.13 54.25 2kwd s LEU 7 Cb -0.12 -2.73 0.15 0.00 0.02 0.00 0.00 46.19 43.51 2kwd s LEU 7 CO 0.02 -0.64 0.27 0.54 0.02 0.00 0.00 176.35 176.57 2kwd s ASN 8 N 1.86 3.05 0.00 2.29 4.22 -1.19 -3.23 114.94 121.94 2kwd s ASN 8 Ca 0.23 -2.65 0.00 0.00 -2.14 0.00 0.00 52.86 48.29 2kwd s ASN 8 Cb -0.15 -0.74 0.00 0.00 1.28 0.00 0.00 41.25 41.65 2kwd s ASN 8 CO 0.16 -0.25 0.00 0.61 -2.04 0.00 0.00 177.10 175.58 2kwd n GLY 9 N 3.46 6.53 0.14 0.45 0.00 -1.01 -3.74 105.19 111.03 2kwd n GLY 9 Ca 0.15 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 2kwd n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kwd h LYS 10 N 0.00 -0.24 0.00 1.61 1.57 -1.93 -3.41 116.57 114.17 2kwd h LYS 10 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kwd h LYS 10 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2kwd h LYS 10 CO 0.00 0.11 -0.03 0.25 -0.57 0.00 0.00 179.45 179.21 2kwd n THR 11 N -5.03 0.00 -2.95 -0.16 -2.24 -1.26 -5.02 114.28 97.62 2kwd n THR 11 Ca -0.09 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 2kwd n THR 11 Cb 0.24 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 2kwd n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kwd s LEU 12 N -0.89 4.19 -0.01 3.22 0.20 -1.26 -5.02 118.68 119.11 2kwd s LEU 12 Ca 0.00 0.06 0.00 0.00 0.69 0.00 0.00 54.13 54.88 2kwd s LEU 12 Cb 0.00 -3.01 0.01 0.00 -0.43 0.00 0.00 46.19 42.76 2kwd s LEU 12 CO 0.00 -0.87 0.00 -0.54 -0.29 0.00 0.00 176.35 174.65 2kwd s LYS 13 N 3.28 0.07 0.00 1.98 3.01 -1.26 -2.39 119.74 124.42 2kwd s LYS 13 Ca 0.31 0.03 0.00 0.00 -1.01 0.00 0.00 55.97 55.30 2kwd s LYS 13 Cb -0.12 -0.15 0.00 0.00 -1.01 0.00 0.00 37.83 36.54 2kwd s LYS 13 CO 0.21 -0.04 0.00 0.41 0.51 0.00 0.00 175.35 176.44 2kwd n GLY 14 N 3.43 -0.61 3.35 -3.33 0.00 -1.20 -4.98 105.19 101.85 2kwd n GLY 14 Ca -0.17 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 2kwd n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwd s GLU 15 N -0.89 1.34 -0.03 1.61 0.41 -1.26 -1.77 118.70 118.10 2kwd s GLU 15 Ca 0.00 -1.56 -0.11 0.00 -0.41 0.00 0.00 54.97 52.89 2kwd s GLU 15 Cb 0.00 -1.20 0.02 0.00 -1.78 0.00 0.00 34.13 31.17 2kwd s GLU 15 CO 0.00 0.21 0.25 0.95 -0.49 0.00 0.00 175.26 176.18 2kwd s THR 16 N -2.75 0.05 0.11 3.63 -4.23 0.17 -4.90 115.64 107.71 2kwd s THR 16 Ca 0.21 -0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 60.24 2kwd s THR 16 Cb -0.02 -0.49 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 2kwd s THR 16 CO 0.07 -0.22 0.21 -0.89 -0.54 0.00 0.00 174.62 173.25 2kwd s THR 17 N -0.92 0.12 0.01 3.99 2.01 -1.26 0.16 115.64 119.76 2kwd s THR 17 Ca -0.10 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 60.41 2kwd s THR 17 Cb -0.05 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 70.98 2kwd s THR 17 CO 0.02 -0.55 0.46 0.28 -0.69 0.00 0.00 174.62 174.15 2kwd s THR 18 N -3.90 0.04 -0.40 -0.82 -1.32 -0.92 -4.99 115.64 103.33 2kwd s THR 18 Ca 0.09 -0.32 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 2kwd s THR 18 Cb 0.05 -0.89 0.04 0.00 -1.51 0.00 0.00 72.50 70.19 2kwd s THR 18 CO -0.07 -0.18 0.25 -0.70 -2.21 0.00 0.00 174.62 171.71 2kwd s GLU 19 N -1.96 2.82 0.08 7.08 2.56 -1.26 -2.05 118.70 125.97 2kwd s GLU 19 Ca -0.08 -1.19 -0.01 0.00 0.00 0.00 0.00 54.97 53.69 2kwd s GLU 19 Cb -0.02 -3.83 -0.04 0.00 2.00 0.00 0.00 34.13 32.24 2kwd s GLU 19 CO 0.02 -0.80 -0.00 0.00 -0.56 0.00 0.00 175.26 173.91 2kwd s ALA 20 N 1.56 0.66 -0.10 6.30 0.00 -1.02 -5.04 121.76 124.11 2kwd s ALA 20 Ca 0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2kwd s ALA 20 Cb -0.21 0.46 -0.26 0.00 0.00 0.00 0.00 23.12 23.12 2kwd s ALA 20 CO 0.06 -0.40 0.43 1.55 0.00 0.00 0.00 175.76 177.40 2kwd n VAL 21 N 0.03 1.75 -4.10 0.00 3.14 -1.26 -3.00 118.33 114.89 2kwd n VAL 21 Ca -0.11 -0.69 -0.27 0.00 -2.96 0.00 0.00 64.34 60.31 2kwd n VAL 21 Cb 0.62 -1.59 -0.06 0.00 -1.06 0.00 0.00 33.84 31.75 2kwd n VAL 21 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2kwd s ASP 22 N -6.84 5.35 -0.04 6.55 2.15 -1.26 -4.83 116.67 117.74 2kwd s ASP 22 Ca -0.19 -0.17 -0.24 0.00 0.43 0.00 0.00 52.55 52.39 2kwd s ASP 22 Cb 0.07 -1.35 -0.23 0.00 -0.30 0.00 0.00 42.92 41.11 2kwd s ASP 22 CO 0.78 0.09 1.07 0.00 -0.17 0.00 0.00 175.17 176.94 2kwd h ALA 23 N 2.63 0.05 -0.79 3.66 0.00 -2.00 -3.14 119.26 119.67 2kwd h ALA 23 Ca -0.47 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 2kwd h ALA 23 Cb 1.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2kwd h ALA 23 CO 0.62 0.10 0.39 0.00 0.00 0.00 0.00 179.25 180.36 2kwd h ALA 24 N 0.30 1.01 0.00 0.00 0.00 -2.00 -2.26 119.26 116.31 2kwd h ALA 24 Ca -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kwd h ALA 24 Cb 0.98 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kwd h ALA 24 CO 0.05 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 2kwd h THR 25 N 1.11 1.02 -0.25 0.00 1.03 -1.99 -1.94 112.91 111.88 2kwd h THR 25 Ca 0.27 -0.21 -0.12 0.00 -0.01 0.00 0.00 66.41 66.34 2kwd h THR 25 Cb 0.10 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.28 2kwd h THR 25 CO -0.04 0.06 -0.34 0.00 -0.01 0.00 0.00 175.52 175.19 2kwd h ALA 26 N 1.94 0.93 -0.01 0.00 0.00 -1.36 -2.88 119.26 117.88 2kwd h ALA 26 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2kwd h ALA 26 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kwd h ALA 26 CO 0.01 0.62 -0.48 1.05 0.00 0.00 0.00 179.25 180.44 2kwd h GLU 27 N 0.47 0.02 -0.78 0.00 4.11 -1.17 -2.95 114.58 114.27 2kwd h GLU 27 Ca 0.05 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.54 2kwd h GLU 27 Cb 0.82 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2kwd h GLU 27 CO 0.07 0.50 0.46 0.87 0.07 0.00 0.00 179.01 180.98 2kwd h LYS 28 N 0.02 0.80 0.09 1.06 1.57 -1.26 1.07 116.57 119.91 2kwd h LYS 28 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kwd h LYS 28 Cb 0.86 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2kwd h LYS 28 CO 0.06 0.53 -0.04 0.28 -0.57 0.00 0.00 179.45 179.71 2kwd h VAL 29 N 0.82 1.16 -0.47 0.50 2.07 -1.63 -2.22 116.25 116.49 2kwd h VAL 29 Ca 0.36 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2kwd h VAL 29 Cb 0.23 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2kwd h VAL 29 CO -0.20 0.26 0.24 -0.26 0.02 0.00 0.00 177.57 177.63 2kwd h PHE 30 N -0.64 0.66 -0.38 1.57 0.04 -1.28 1.15 116.94 118.06 2kwd h PHE 30 Ca -0.01 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 2kwd h PHE 30 Cb 0.52 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2kwd h PHE 30 CO 0.09 0.51 -0.21 0.87 -0.60 0.00 0.00 178.31 178.97 2kwd h LYS 31 N 0.61 0.81 -0.11 1.51 1.57 0.11 0.13 116.57 121.20 2kwd h LYS 31 Ca 0.16 -0.37 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 2kwd h LYS 31 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kwd h LYS 31 CO -0.02 0.99 -0.54 0.37 -0.57 0.00 0.00 179.45 179.68 2kwd h GLN 32 N 0.60 0.32 -0.28 3.15 4.15 -1.26 -2.96 115.11 118.84 2kwd h GLN 32 Ca 0.08 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.18 2kwd h GLN 32 Cb 0.77 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2kwd h GLN 32 CO 0.06 0.78 -0.35 -0.92 -1.93 0.00 0.00 178.83 176.47 2kwd h TYR 33 N 0.25 0.72 -0.74 3.99 3.20 0.16 -2.92 116.97 121.62 2kwd h TYR 33 Ca 0.01 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.72 2kwd h TYR 33 Cb 1.03 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2kwd h TYR 33 CO 0.03 0.88 0.49 0.00 -1.64 0.00 0.00 178.16 177.92 2kwd h ALA 34 N 1.10 1.58 -0.37 1.82 0.00 -0.57 0.10 119.26 122.93 2kwd h ALA 34 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2kwd h ALA 34 Cb 0.84 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2kwd h ALA 34 CO 0.07 0.34 0.13 -0.97 0.00 0.00 0.00 179.25 178.82 2kwd h ASN 35 N 0.89 0.53 0.58 0.00 -1.24 -1.52 0.63 115.58 115.45 2kwd h ASN 35 Ca 0.30 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 2kwd h ASN 35 Cb 0.08 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.99 2kwd h ASN 35 CO -0.09 0.58 -0.08 0.44 -1.29 0.00 0.00 177.43 176.99 2kwd h ASP 36 N 0.45 0.00 0.68 1.15 3.32 -1.26 -2.90 116.42 117.86 2kwd h ASP 36 Ca 0.12 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 2kwd h ASP 36 Cb 0.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2kwd h ASP 36 CO -0.01 0.08 -1.45 0.78 -1.72 0.00 0.00 179.24 176.93 2kwd h ASN 37 N 0.00 0.00 0.00 6.45 4.21 -0.11 -3.49 115.58 122.64 2kwd h ASN 37 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kwd h ASN 37 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2kwd h ASN 37 CO 0.01 0.67 0.00 0.61 -1.29 0.00 0.00 177.43 177.43 2kwd n GLY 38 N 1.42 1.89 3.37 2.83 0.00 0.15 -5.01 105.19 109.84 2kwd n GLY 38 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2kwd n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kwd s VAL 39 N -2.38 4.73 -0.22 1.61 0.11 -1.12 -4.97 120.40 118.17 2kwd s VAL 39 Ca 0.00 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2kwd s VAL 39 Cb 0.00 -3.73 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 2kwd s VAL 39 CO 0.00 -0.38 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.73 2kwd s ASP 40 N 1.90 3.58 0.00 3.54 -1.08 -1.26 -4.60 116.67 118.75 2kwd s ASP 40 Ca 0.03 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 2kwd s ASP 40 Cb -0.21 -1.07 0.00 0.00 -1.46 0.00 0.00 42.92 40.18 2kwd s ASP 40 CO 0.06 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.13 2kwd n GLY 41 N 4.75 5.21 3.79 2.66 0.00 -1.26 -4.65 105.19 115.69 2kwd n GLY 41 Ca -0.12 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 2kwd n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kwd s GLU 42 N 1.98 3.72 -0.01 1.61 0.41 0.29 -4.64 118.70 122.05 2kwd s GLU 42 Ca 0.00 1.38 0.05 0.00 -0.41 0.00 0.00 54.97 55.99 2kwd s GLU 42 Cb 0.00 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.26 2kwd s GLU 42 CO 0.00 -0.50 -0.16 -1.58 -0.49 0.00 0.00 175.26 172.52 2kwd s TRP 43 N -1.98 1.47 0.17 1.61 0.52 -1.26 -0.84 118.94 118.63 2kwd s TRP 43 Ca 0.68 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 56.57 2kwd s TRP 43 Cb -0.17 -0.94 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 2kwd s TRP 43 CO 0.22 -0.02 -0.12 -0.08 0.02 0.00 0.00 176.95 176.96 2kwd s THR 44 N -0.42 1.45 -0.11 2.01 -1.32 -1.08 -5.03 115.64 111.14 2kwd s THR 44 Ca 0.06 -2.12 -0.04 0.00 -1.21 0.00 0.00 61.69 58.38 2kwd s THR 44 Cb -0.06 -1.93 0.05 0.00 -1.51 0.00 0.00 72.50 69.05 2kwd s THR 44 CO -0.00 -0.66 0.14 -0.47 -2.21 0.00 0.00 174.62 171.42 2kwd s TYR 45 N -3.11 -0.10 -0.45 9.09 5.04 -1.26 -2.75 117.35 123.81 2kwd s TYR 45 Ca 0.19 0.34 -0.24 0.00 -2.44 0.00 0.00 57.07 54.92 2kwd s TYR 45 Cb 0.01 -0.38 0.03 0.00 0.35 0.00 0.00 41.96 41.96 2kwd s TYR 45 CO 0.04 -0.35 0.86 0.34 -1.34 0.00 0.00 175.55 175.09 2kwd s ASP 46 N 2.25 6.47 0.03 4.32 -1.08 0.65 -4.77 116.67 124.54 2kwd s ASP 46 Ca 0.04 0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.34 2kwd s ASP 46 Cb -0.13 -2.42 -0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2kwd s ASP 46 CO -0.07 -0.97 0.98 -0.67 0.52 0.00 0.00 175.17 174.96 2kwd n ASP 47 N 6.93 0.63 0.18 -0.34 -0.08 -1.26 0.14 116.55 122.74 2kwd n ASP 47 Ca 0.04 -0.36 0.03 0.00 -1.51 0.00 0.00 54.79 53.00 2kwd n ASP 47 Cb 0.48 0.91 0.31 0.00 2.34 0.00 0.00 41.12 45.17 2kwd n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kwd h ALA 48 N 2.62 1.10 0.00 -1.67 0.00 -1.95 -3.27 119.26 116.09 2kwd h ALA 48 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kwd h ALA 48 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kwd h ALA 48 CO 0.00 0.54 0.00 0.25 0.00 0.00 0.00 179.25 180.04 2kwd n THR 49 N -3.77 0.12 -3.38 0.00 -2.24 -1.25 -5.03 114.28 98.74 2kwd n THR 49 Ca -0.01 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 2kwd n THR 49 Cb 0.50 1.36 0.08 0.00 -2.10 0.00 0.00 70.33 70.17 2kwd n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kwd n LYS 50 N -0.06 -5.62 -3.89 -0.78 4.76 0.67 -4.87 118.16 108.37 2kwd n LYS 50 Ca 0.00 0.85 -0.18 0.00 -2.87 0.00 0.00 58.31 56.10 2kwd n LYS 50 Cb 0.23 -5.83 -0.17 0.00 -1.84 0.00 0.00 35.03 27.42 2kwd n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kwd s THR 51 N -3.36 0.20 0.20 -0.18 2.01 0.37 -1.13 115.64 113.74 2kwd s THR 51 Ca 0.10 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.27 2kwd s THR 51 Cb -0.01 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2kwd s THR 51 CO 0.73 0.17 0.16 -0.36 -0.69 0.00 0.00 174.62 174.62 2kwd s PHE 52 N 1.27 3.13 -0.15 4.92 0.40 0.29 0.24 117.98 128.07 2kwd s PHE 52 Ca -0.06 -0.06 -0.08 0.00 -0.60 0.00 0.00 56.93 56.13 2kwd s PHE 52 Cb -0.13 -1.46 0.06 0.00 0.51 0.00 0.00 43.02 41.99 2kwd s PHE 52 CO -0.02 0.52 0.36 0.95 0.70 0.00 0.00 175.22 177.72 2kwd s THR 53 N -1.91 -0.12 -0.16 0.64 -4.23 -1.11 -0.60 115.64 108.15 2kwd s THR 53 Ca 0.32 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 2kwd s THR 53 Cb -0.09 -0.54 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 2kwd s THR 53 CO 0.24 0.05 -0.10 0.54 -0.54 0.00 0.00 174.62 174.81 2kwd s VAL 54 N 1.57 3.21 -0.12 2.29 0.11 -1.20 -2.65 120.40 123.60 2kwd s VAL 54 Ca -0.08 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2kwd s VAL 54 Cb -0.10 -2.39 0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2kwd s VAL 54 CO -0.11 0.50 -0.15 0.28 -3.33 0.00 0.00 175.10 172.28 2kwd s THR 55 N 0.67 1.52 -1.35 5.04 -1.32 -0.02 -3.19 115.64 116.99 2kwd s THR 55 Ca -0.05 -0.64 0.11 0.00 -1.21 0.00 0.00 61.69 59.90 2kwd s THR 55 Cb -0.15 -1.41 0.09 0.00 -1.51 0.00 0.00 72.50 69.52 2kwd s THR 55 CO 0.02 0.45 0.84 -1.84 -2.21 0.00 0.00 174.62 171.88