#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 1.43 0.04 3.17 -0.21 -1.26 -2.61 119.66 120.21 2kwd s GLN 2 Ca 0.00 -1.31 0.07 0.00 0.02 0.00 0.00 55.36 54.14 2kwd s GLN 2 Cb 0.00 -1.88 -0.03 0.00 1.00 0.00 0.00 33.01 32.10 2kwd s GLN 2 CO 0.00 0.45 -0.18 0.71 -2.12 0.00 0.00 175.29 174.15 2kwd s TYR 3 N -1.04 2.56 -0.13 0.91 2.02 -0.86 -4.78 117.35 116.03 2kwd s TYR 3 Ca 0.13 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.60 2kwd s TYR 3 Cb -0.10 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 2kwd s TYR 3 CO 0.05 0.25 -0.21 0.21 -1.57 0.00 0.00 175.55 174.29 2kwd s LYS 4 N -1.41 3.08 -0.18 -0.62 2.20 0.02 -2.13 119.74 120.70 2kwd s LYS 4 Ca 0.15 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 2kwd s LYS 4 Cb -0.10 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 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 3.62 -0.16 5.43 1.98 0.43 0.10 118.68 130.76 2kwd s LEU 5 Ca -0.10 -0.00 -0.11 0.00 -2.89 0.00 0.00 54.13 51.03 2kwd s LEU 5 Cb -0.16 -1.91 -0.05 0.00 0.66 0.00 0.00 46.19 44.74 2kwd s LEU 5 CO 0.02 0.16 0.22 -0.63 -1.89 0.00 0.00 176.35 174.22 2kwd s ILE 6 N 0.44 5.36 -0.38 6.68 -1.09 0.15 0.45 121.20 132.80 2kwd s ILE 6 Ca 0.01 0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 58.62 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 0.07 4.36 -0.42 2.97 1.02 -0.73 -3.25 118.68 122.70 2kwd s LEU 7 Ca 0.14 -0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.25 2kwd s LEU 7 Cb -0.12 -2.72 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 -1.20 -3.23 114.94 121.93 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 6.49 0.12 0.45 0.00 -1.00 -3.71 105.19 111.00 2kwd n GLY 9 Ca 0.15 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.19 0.00 1.61 1.57 -1.93 -3.41 116.57 114.22 2kwd h LYS 10 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kwd h LYS 10 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2kwd h LYS 10 CO 0.00 0.19 -0.04 0.25 -0.57 0.00 0.00 179.45 179.28 2kwd n THR 11 N -4.99 0.00 -2.94 -0.16 -2.24 -1.26 -5.02 114.28 97.67 2kwd n THR 11 Ca -0.09 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 2kwd n THR 11 Cb 0.24 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 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 4.18 -0.01 3.22 0.20 -1.26 -5.02 118.68 119.10 2kwd s LEU 12 Ca 0.00 0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.86 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 -0.89 -0.00 -0.54 -0.29 0.00 0.00 176.35 174.63 2kwd s LYS 13 N 3.31 0.09 0.00 1.98 3.01 -1.26 -2.39 119.74 124.48 2kwd s LYS 13 Ca 0.31 0.02 0.00 0.00 -1.01 0.00 0.00 55.97 55.29 2kwd s LYS 13 Cb -0.12 -0.17 0.00 0.00 -1.01 0.00 0.00 37.83 36.53 2kwd s LYS 13 CO 0.22 -0.04 0.00 0.41 0.51 0.00 0.00 175.35 176.45 2kwd n GLY 14 N 3.42 -0.61 3.34 -3.33 0.00 -1.20 -4.98 105.19 101.84 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 1.32 -0.04 1.61 0.41 -1.26 -1.77 118.70 118.08 2kwd s GLU 15 Ca 0.00 -1.55 -0.11 0.00 -0.41 0.00 0.00 54.97 52.90 2kwd s GLU 15 Cb 0.00 -1.17 0.02 0.00 -1.78 0.00 0.00 34.13 31.20 2kwd s GLU 15 CO 0.00 0.20 0.25 0.95 -0.49 0.00 0.00 175.26 176.17 2kwd s THR 16 N -2.77 0.05 0.10 3.63 -4.23 0.17 -4.91 115.64 107.68 2kwd s THR 16 Ca 0.21 -0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.25 2kwd s THR 16 Cb -0.02 -0.49 -0.00 0.00 1.34 0.00 0.00 72.50 73.33 2kwd s THR 16 CO 0.07 -0.22 0.19 -0.89 -0.54 0.00 0.00 174.62 173.23 2kwd s THR 17 N -0.90 0.14 0.01 3.99 2.01 -1.26 0.16 115.64 119.79 2kwd s THR 17 Ca -0.10 -1.24 -0.19 0.00 0.31 0.00 0.00 61.69 60.47 2kwd s THR 17 Cb -0.05 -1.42 0.04 0.00 0.01 0.00 0.00 72.50 71.08 2kwd s THR 17 CO 0.02 -0.62 0.42 0.28 -0.69 0.00 0.00 174.62 174.04 2kwd s THR 18 N -3.88 0.05 -0.40 -0.82 -1.32 -0.91 -4.99 115.64 103.38 2kwd s THR 18 Ca 0.07 -0.39 -0.12 0.00 -1.21 0.00 0.00 61.69 60.04 2kwd s THR 18 Cb 0.05 -0.86 0.04 0.00 -1.51 0.00 0.00 72.50 70.22 2kwd s THR 18 CO -0.09 -0.22 0.25 -0.70 -2.21 0.00 0.00 174.62 171.65 2kwd s GLU 19 N -1.93 2.81 0.07 7.08 2.56 -1.26 -2.03 118.70 125.99 2kwd s GLU 19 Ca -0.09 -1.19 -0.01 0.00 0.00 0.00 0.00 54.97 53.69 2kwd s GLU 19 Cb -0.02 -3.82 -0.04 0.00 2.00 0.00 0.00 34.13 32.25 2kwd s GLU 19 CO 0.02 -0.80 -0.02 0.00 -0.56 0.00 0.00 175.26 173.90 2kwd s ALA 20 N 1.55 0.61 -0.06 6.30 0.00 -1.07 -5.05 121.76 124.05 2kwd s ALA 20 Ca 0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2kwd s ALA 20 Cb -0.21 0.37 -0.27 0.00 0.00 0.00 0.00 23.12 23.01 2kwd s ALA 20 CO 0.06 -0.38 0.62 -0.24 0.00 0.00 0.00 175.76 175.81 2kwd h VAL 21 N 3.08 0.87 -2.77 0.00 3.04 -1.98 -3.18 116.25 115.32 2kwd h VAL 21 Ca -0.34 -2.56 -0.59 0.00 -1.01 0.00 0.00 66.70 62.20 2kwd h VAL 21 Cb 1.15 2.63 -0.09 0.00 -2.01 0.00 0.00 31.29 32.97 2kwd h VAL 21 CO 0.65 0.81 -0.61 -0.62 -1.01 0.00 0.00 177.57 176.79 2kwd s ASP 22 N -6.96 5.16 -0.03 3.17 2.15 -1.26 -4.85 116.67 114.05 2kwd s ASP 22 Ca -0.15 -0.26 -0.23 0.00 0.43 0.00 0.00 52.55 52.34 2kwd s ASP 22 Cb 0.07 -1.23 -0.22 0.00 -0.30 0.00 0.00 42.92 41.23 2kwd s ASP 22 CO 0.82 0.08 1.08 0.00 -0.17 0.00 0.00 175.17 176.98 2kwd h ALA 23 N 2.53 0.06 -0.65 3.66 0.00 -2.00 -3.12 119.26 119.74 2kwd h ALA 23 Ca -0.47 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 53.94 2kwd h ALA 23 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2kwd h ALA 23 CO 0.61 0.12 0.28 0.00 0.00 0.00 0.00 179.25 180.26 2kwd h ALA 24 N 0.31 0.84 0.00 0.00 0.00 -2.00 -2.42 119.26 115.99 2kwd h ALA 24 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kwd h ALA 24 Cb 1.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kwd h ALA 24 CO 0.06 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 2kwd h THR 25 N 0.91 0.95 -0.25 0.00 1.03 -1.99 -1.81 112.91 111.75 2kwd h THR 25 Ca 0.22 -0.13 -0.11 0.00 -0.01 0.00 0.00 66.41 66.38 2kwd h THR 25 Cb 0.18 1.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.32 2kwd h THR 25 CO -0.02 0.04 -0.32 0.00 -0.01 0.00 0.00 175.52 175.20 2kwd h ALA 26 N 1.96 0.99 -0.01 0.00 0.00 -1.37 -2.84 119.26 117.99 2kwd h ALA 26 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2kwd h ALA 26 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2kwd h ALA 26 CO 0.00 0.60 -0.55 1.05 0.00 0.00 0.00 179.25 180.35 2kwd h GLU 27 N 0.44 0.03 -0.73 0.00 4.11 -1.20 -3.01 114.58 114.23 2kwd h GLU 27 Ca 0.05 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.56 2kwd h GLU 27 Cb 0.78 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2kwd h GLU 27 CO 0.06 0.57 0.36 0.87 0.07 0.00 0.00 179.01 180.95 2kwd h LYS 28 N 0.02 0.58 0.09 1.06 1.57 -1.24 1.19 116.57 119.85 2kwd h LYS 28 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kwd h LYS 28 Cb 0.98 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2kwd h LYS 28 CO 0.07 0.38 -0.04 0.28 -0.57 0.00 0.00 179.45 179.58 2kwd h VAL 29 N 0.60 1.16 -0.57 0.50 2.07 -1.63 -2.31 116.25 116.07 2kwd h VAL 29 Ca 0.36 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kwd h VAL 29 Cb 0.40 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2kwd h VAL 29 CO -0.28 0.25 0.29 -0.26 0.02 0.00 0.00 177.57 177.59 2kwd h PHE 30 N -0.61 0.81 -0.12 1.57 0.04 -1.28 0.83 116.94 118.17 2kwd h PHE 30 Ca -0.01 -0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.54 2kwd h PHE 30 Cb 0.50 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 2kwd h PHE 30 CO 0.08 0.61 -0.70 0.87 -0.60 0.00 0.00 178.31 178.57 2kwd h LYS 31 N 0.77 0.52 -0.05 1.51 1.57 0.13 0.11 116.57 121.14 2kwd h LYS 31 Ca 0.20 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 2kwd h LYS 31 Cb 0.09 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2kwd h LYS 31 CO -0.03 1.03 -0.71 0.37 -0.57 0.00 0.00 179.45 179.54 2kwd h GLN 32 N 0.36 0.26 -0.23 3.15 4.15 -1.29 -3.09 115.11 118.43 2kwd h GLN 32 Ca -0.03 -0.22 -0.14 0.00 0.77 0.00 0.00 58.65 59.04 2kwd h GLN 32 Cb 1.28 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 2kwd h GLN 32 CO 0.13 0.87 -0.43 -0.92 -1.93 0.00 0.00 178.83 176.55 2kwd h TYR 33 N 0.18 0.67 -0.73 3.99 3.20 0.88 -3.00 116.97 122.16 2kwd h TYR 33 Ca -0.02 -0.20 0.04 0.00 3.14 0.00 0.00 58.73 61.69 2kwd h TYR 33 Cb 1.27 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 2kwd h TYR 33 CO 0.03 0.89 0.48 0.00 -1.64 0.00 0.00 178.16 177.92 2kwd h ALA 34 N 1.08 1.59 -0.38 1.82 0.00 -0.70 1.00 119.26 123.67 2kwd h ALA 34 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kwd h ALA 34 Cb 0.93 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2kwd h ALA 34 CO 0.08 0.33 0.14 -0.97 0.00 0.00 0.00 179.25 178.83 2kwd h ASN 35 N 0.87 0.54 0.59 0.00 -1.24 -1.56 0.80 115.58 115.58 2kwd h ASN 35 Ca 0.29 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 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 0.57 -0.08 0.44 -1.29 0.00 0.00 177.43 176.99 2kwd h ASP 36 N 0.47 0.00 0.65 1.15 3.32 -1.26 -2.90 116.42 117.86 2kwd h ASP 36 Ca 0.13 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 2kwd h ASP 36 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2kwd h ASP 36 CO -0.01 0.08 -1.48 0.59 -1.72 0.00 0.00 179.24 176.70 2kwd n ASN 37 N -3.33 0.86 0.00 6.45 4.13 0.24 -5.00 115.26 118.61 2kwd n ASN 37 Ca -0.01 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.64 2kwd n ASN 37 Cb 0.26 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 2kwd n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kwd n GLY 38 N 1.43 2.02 3.39 7.41 0.00 0.20 -5.01 105.19 114.64 2kwd n GLY 38 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.42 4.91 -0.22 1.61 0.11 -1.13 -4.97 120.40 118.28 2kwd s VAL 39 Ca 0.00 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 2kwd s VAL 39 Cb 0.00 -3.81 0.06 0.00 -1.53 0.00 0.00 36.38 31.09 2kwd s VAL 39 CO 0.00 -0.37 -0.05 -0.62 -3.33 0.00 0.00 175.10 170.73 2kwd s ASP 40 N 1.90 3.57 0.00 3.54 -1.08 -1.26 -4.61 116.67 118.72 2kwd s ASP 40 Ca 0.04 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.02 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 0.07 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.14 2kwd n GLY 41 N 4.75 5.07 3.74 2.66 0.00 -1.26 -4.64 105.19 115.50 2kwd n GLY 41 Ca -0.12 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 1.77 4.57 0.26 1.61 0.41 0.34 -4.61 118.70 123.05 2kwd s GLU 42 Ca 0.00 1.78 0.07 0.00 -0.41 0.00 0.00 54.97 56.41 2kwd s GLU 42 Cb 0.00 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2kwd s GLU 42 CO 0.00 0.06 0.23 -1.58 -0.49 0.00 0.00 175.26 173.47 2kwd s TRP 43 N -0.39 3.14 0.17 1.61 0.52 -1.26 -0.49 118.94 122.24 2kwd s TRP 43 Ca 0.49 -0.11 -0.19 0.00 0.02 0.00 0.00 56.10 56.30 2kwd s TRP 43 Cb -0.31 -1.46 0.04 0.00 -1.15 0.00 0.00 33.47 30.60 2kwd s TRP 43 CO 0.37 0.48 0.54 -0.08 0.02 0.00 0.00 176.95 178.28 2kwd s THR 44 N -2.13 0.02 -0.25 2.01 -1.32 -1.13 -5.02 115.64 107.83 2kwd s THR 44 Ca 0.34 -0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 60.27 2kwd s THR 44 Cb -0.08 -1.31 0.11 0.00 -1.51 0.00 0.00 72.50 69.72 2kwd s THR 44 CO 0.26 -0.11 0.53 -0.47 -2.21 0.00 0.00 174.62 172.61 2kwd s TYR 45 N -3.82 -1.08 -0.38 9.09 5.04 -1.26 -3.00 117.35 121.94 2kwd s TYR 45 Ca 0.05 1.86 -0.17 0.00 -2.44 0.00 0.00 57.07 56.38 2kwd s TYR 45 Cb -0.01 0.53 0.01 0.00 0.35 0.00 0.00 41.96 42.84 2kwd s TYR 45 CO -0.08 -0.59 0.42 0.34 -1.34 0.00 0.00 175.55 174.30 2kwd s ASP 46 N 2.75 6.21 0.01 4.32 -1.08 -0.04 -4.91 116.67 123.93 2kwd s ASP 46 Ca -0.02 -0.43 0.27 0.00 -0.52 0.00 0.00 52.55 51.85 2kwd s ASP 46 Cb -0.12 -2.22 0.93 0.00 -1.46 0.00 0.00 42.92 40.05 2kwd s ASP 46 CO -0.16 -0.49 1.72 -0.67 0.52 0.00 0.00 175.17 176.09 2kwd n ASP 47 N 5.56 0.22 0.19 -0.34 -0.08 -1.26 -1.35 116.55 119.49 2kwd n ASP 47 Ca -0.07 0.21 0.08 0.00 -1.51 0.00 0.00 54.79 53.49 2kwd n ASP 47 Cb 0.48 -0.20 0.13 0.00 2.34 0.00 0.00 41.12 43.87 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 2.98 0.86 0.00 -1.67 0.00 -1.96 -3.30 119.26 116.16 2kwd h ALA 48 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kwd h ALA 48 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kwd h ALA 48 CO 0.00 0.29 -0.03 0.25 0.00 0.00 0.00 179.25 179.76 2kwd n THR 49 N -3.17 0.66 -4.00 0.00 -2.24 -1.20 -5.02 114.28 99.31 2kwd n THR 49 Ca 0.03 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.82 2kwd n THR 49 Cb 0.61 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.37 -2.16 -4.08 -0.78 4.76 -0.46 -4.81 118.16 110.26 2kwd n LYS 50 Ca 0.01 0.31 -0.21 0.00 -2.87 0.00 0.00 58.31 55.56 2kwd n LYS 50 Cb 0.40 -4.05 -0.17 0.00 -1.84 0.00 0.00 35.03 29.37 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 -3.93 0.53 0.22 -0.18 2.01 -0.45 -0.80 115.64 113.04 2kwd s THR 51 Ca 0.13 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.11 2kwd s THR 51 Cb -0.06 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2kwd s THR 51 CO 0.92 0.24 0.13 -0.36 -0.69 0.00 0.00 174.62 174.86 2kwd s PHE 52 N 1.14 3.03 -0.18 4.92 0.40 0.29 -0.86 117.98 126.73 2kwd s PHE 52 Ca -0.07 -0.11 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 2kwd s PHE 52 Cb -0.14 -1.40 0.06 0.00 0.51 0.00 0.00 43.02 42.06 2kwd s PHE 52 CO -0.01 0.53 0.44 0.95 0.70 0.00 0.00 175.22 177.83 2kwd s THR 53 N -2.02 -0.08 -0.17 0.64 -4.23 -1.16 -0.68 115.64 107.93 2kwd s THR 53 Ca 0.32 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2kwd s THR 53 Cb -0.08 -0.65 -0.01 0.00 1.34 0.00 0.00 72.50 73.09 2kwd s THR 53 CO 0.23 0.04 -0.09 0.54 -0.54 0.00 0.00 174.62 174.80 2kwd s VAL 54 N 1.54 3.19 -0.14 2.29 0.11 -1.20 -2.82 120.40 123.37 2kwd s VAL 54 Ca -0.09 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2kwd s VAL 54 Cb -0.08 -2.39 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2kwd s VAL 54 CO -0.13 0.48 -0.14 0.28 -3.33 0.00 0.00 175.10 172.26 2kwd s THR 55 N 0.85 1.54 -1.77 5.04 -1.32 0.35 -3.22 115.64 117.11 2kwd s THR 55 Ca -0.03 -0.62 0.14 0.00 -1.21 0.00 0.00 61.69 59.97 2kwd s THR 55 Cb -0.15 -1.45 0.11 0.00 -1.51 0.00 0.00 72.50 69.51 2kwd s THR 55 CO 0.01 0.45 0.95 -1.84 -2.21 0.00 0.00 174.62 171.98