#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 2.61 -0.06 3.17 -0.21 -1.26 -1.41 119.66 122.50 2kwd s GLN 2 Ca 0.00 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.55 2kwd s GLN 2 Cb 0.00 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 2kwd s GLN 2 CO 0.00 0.39 -0.16 0.71 -2.12 0.00 0.00 175.29 174.12 2kwd s TYR 3 N -0.18 2.68 -0.12 0.91 2.02 -0.61 -4.72 117.35 117.33 2kwd s TYR 3 Ca -0.03 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 2kwd s TYR 3 Cb -0.14 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2kwd s TYR 3 CO 0.03 0.06 -0.22 0.21 -1.57 0.00 0.00 175.55 174.06 2kwd s LYS 4 N -0.46 2.96 -0.15 -0.62 2.20 -0.01 -1.86 119.74 121.81 2kwd s LYS 4 Ca 0.06 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.80 2kwd s LYS 4 Cb -0.12 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 2kwd s LYS 4 CO 0.02 0.06 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.84 2kwd s LEU 5 N 0.64 3.18 -0.14 5.43 1.98 0.55 0.16 118.68 130.49 2kwd s LEU 5 Ca -0.12 -0.15 -0.11 0.00 -2.89 0.00 0.00 54.13 50.86 2kwd s LEU 5 Cb -0.16 -1.76 -0.05 0.00 0.66 0.00 0.00 46.19 44.88 2kwd s LEU 5 CO 0.02 0.18 0.23 -0.63 -1.89 0.00 0.00 176.35 174.26 2kwd s ILE 6 N 0.30 5.35 -0.36 6.68 -1.09 0.01 0.12 121.20 132.20 2kwd s ILE 6 Ca -0.04 0.41 -0.22 0.00 -2.23 0.00 0.00 60.65 58.57 2kwd s ILE 6 Cb -0.14 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2kwd s ILE 6 CO 0.03 0.48 0.71 -0.76 -1.23 0.00 0.00 174.94 174.17 2kwd s LEU 7 N -0.09 4.20 -0.41 2.97 1.02 -0.72 -3.34 118.68 122.31 2kwd s LEU 7 Ca 0.15 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.54 2kwd s LEU 7 Cb -0.13 -2.90 0.15 0.00 0.02 0.00 0.00 46.19 43.33 2kwd s LEU 7 CO 0.03 -0.66 0.26 0.54 0.02 0.00 0.00 176.35 176.54 2kwd s ASN 8 N 1.82 2.96 0.00 2.29 4.22 -1.19 -3.41 114.94 121.64 2kwd s ASN 8 Ca 0.28 -2.59 0.00 0.00 -2.14 0.00 0.00 52.86 48.41 2kwd s ASN 8 Cb -0.14 -0.67 0.00 0.00 1.28 0.00 0.00 41.25 41.72 2kwd s ASN 8 CO 0.16 -0.26 0.00 0.61 -2.04 0.00 0.00 177.10 175.57 2kwd n GLY 9 N 3.53 6.21 0.40 0.45 0.00 -0.81 -3.74 105.19 111.25 2kwd n GLY 9 Ca 0.15 -1.71 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.96 0.00 1.61 1.57 -1.95 -3.39 116.57 113.45 2kwd h LYS 10 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2kwd h LYS 10 Cb 0.00 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2kwd h LYS 10 CO 0.00 -0.62 0.00 2.41 -0.57 0.00 0.00 179.45 180.67 2kwd n THR 11 N -5.49 0.00 -2.77 -0.16 -1.04 -1.26 -5.00 114.28 98.56 2kwd n THR 11 Ca -0.14 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.22 2kwd n THR 11 Cb 0.41 1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 70.34 2kwd n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2kwd s LEU 12 N -0.16 3.93 -0.07 -4.42 1.43 -1.26 -4.99 118.68 113.14 2kwd s LEU 12 Ca 0.00 0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2kwd s LEU 12 Cb 0.00 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2kwd s LEU 12 CO 0.00 -1.07 0.16 -0.54 0.23 0.00 0.00 176.35 175.12 2kwd s LYS 13 N 3.87 0.12 0.00 1.70 3.01 -1.26 -1.92 119.74 125.26 2kwd s LYS 13 Ca 0.40 0.35 0.00 0.00 -1.01 0.00 0.00 55.97 55.71 2kwd s LYS 13 Cb -0.10 -0.12 0.00 0.00 -1.01 0.00 0.00 37.83 36.60 2kwd s LYS 13 CO 0.27 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.40 2kwd n GLY 14 N 3.97 -0.63 3.42 -3.33 0.00 -1.22 -4.97 105.19 102.43 2kwd n GLY 14 Ca -0.24 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.78 1.54 -0.04 1.61 0.41 -1.26 -1.76 118.70 118.42 2kwd s GLU 15 Ca 0.00 -1.70 -0.04 0.00 -0.41 0.00 0.00 54.97 52.82 2kwd s GLU 15 Cb 0.00 -1.53 0.01 0.00 -1.78 0.00 0.00 34.13 30.83 2kwd s GLU 15 CO 0.00 0.28 0.12 0.95 -0.49 0.00 0.00 175.26 176.12 2kwd s THR 16 N -2.66 0.01 0.07 3.63 -4.23 0.32 -4.90 115.64 107.88 2kwd s THR 16 Ca 0.27 -0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 2kwd s THR 16 Cb -0.04 -0.20 -0.00 0.00 1.34 0.00 0.00 72.50 73.60 2kwd s THR 16 CO 0.12 -0.04 0.18 -0.89 -0.54 0.00 0.00 174.62 173.44 2kwd s THR 17 N -0.09 0.14 0.03 3.99 2.01 -1.26 0.21 115.64 120.67 2kwd s THR 17 Ca -0.02 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 60.65 2kwd s THR 17 Cb -0.02 -1.19 0.05 0.00 0.01 0.00 0.00 72.50 71.35 2kwd s THR 17 CO 0.00 -0.62 0.50 0.28 -0.69 0.00 0.00 174.62 174.09 2kwd s THR 18 N -3.39 0.03 -0.29 -0.82 -1.32 -0.78 -5.00 115.64 104.07 2kwd s THR 18 Ca 0.01 -0.28 -0.10 0.00 -1.21 0.00 0.00 61.69 60.11 2kwd s THR 18 Cb 0.03 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 70.04 2kwd s THR 18 CO -0.08 -0.16 0.15 -0.70 -2.21 0.00 0.00 174.62 171.62 2kwd s GLU 19 N -2.28 3.63 0.11 7.08 2.56 -1.26 -1.57 118.70 126.97 2kwd s GLU 19 Ca -0.06 -0.52 -0.16 0.00 0.00 0.00 0.00 54.97 54.23 2kwd s GLU 19 Cb -0.01 -3.56 0.03 0.00 2.00 0.00 0.00 34.13 32.59 2kwd s GLU 19 CO -0.01 -0.29 0.38 0.00 -0.56 0.00 0.00 175.26 174.79 2kwd s ALA 20 N 1.67 -0.87 0.05 6.30 0.00 -0.50 -4.92 121.76 123.49 2kwd s ALA 20 Ca 0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 2kwd s ALA 20 Cb -0.16 0.62 -0.16 0.00 0.00 0.00 0.00 23.12 23.42 2kwd s ALA 20 CO 0.07 -0.60 1.27 -0.24 0.00 0.00 0.00 175.76 176.26 2kwd h VAL 21 N 2.49 1.36 -3.36 0.00 3.04 -1.98 -2.59 116.25 115.22 2kwd h VAL 21 Ca -0.34 -1.68 -0.65 0.00 -1.01 0.00 0.00 66.70 63.02 2kwd h VAL 21 Cb 1.24 2.08 -0.16 0.00 -2.01 0.00 0.00 31.29 32.45 2kwd h VAL 21 CO 0.47 0.51 -0.75 -1.81 -1.01 0.00 0.00 177.57 174.98 2kwd s ASP 22 N -6.53 4.23 0.08 3.17 1.01 -1.26 -4.77 116.67 112.59 2kwd s ASP 22 Ca -0.13 -0.51 -0.15 0.00 0.71 0.00 0.00 52.55 52.48 2kwd s ASP 22 Cb 0.06 -0.72 -0.18 0.00 1.01 0.00 0.00 42.92 43.08 2kwd s ASP 22 CO 0.81 0.15 1.26 0.00 0.21 0.00 0.00 175.17 177.59 2kwd h ALA 23 N 3.33 0.24 -0.79 5.23 0.00 -1.99 -2.69 119.26 122.59 2kwd h ALA 23 Ca -0.48 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 2kwd h ALA 23 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2kwd h ALA 23 CO 0.52 0.59 0.44 0.00 0.00 0.00 0.00 179.25 180.80 2kwd h ALA 24 N 0.49 1.29 -0.25 0.00 0.00 -1.99 0.82 119.26 119.63 2kwd h ALA 24 Ca -0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2kwd h ALA 24 Cb 1.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2kwd h ALA 24 CO 0.15 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.66 2kwd h THR 25 N 1.10 1.29 -0.21 0.00 1.03 -1.97 -2.92 112.91 111.22 2kwd h THR 25 Ca 0.28 -1.43 -0.14 0.00 -0.01 0.00 0.00 66.41 65.10 2kwd h THR 25 Cb 0.01 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 2kwd h THR 25 CO -0.05 0.45 -0.46 0.00 -0.01 0.00 0.00 175.52 175.46 2kwd h ALA 26 N 1.19 0.80 -0.00 0.00 0.00 -1.06 -3.05 119.26 117.14 2kwd h ALA 26 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kwd h ALA 26 Cb 0.79 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kwd h ALA 26 CO 0.06 0.66 0.00 1.05 0.00 0.00 0.00 179.25 181.03 2kwd h GLU 27 N 0.44 0.00 -0.81 0.00 4.11 -0.66 -2.01 114.58 115.65 2kwd h GLU 27 Ca 0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.58 2kwd h GLU 27 Cb 0.98 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 2kwd h GLU 27 CO 0.09 0.00 0.43 0.87 0.07 0.00 0.00 179.01 180.46 2kwd h LYS 28 N 0.00 0.64 0.10 1.06 1.57 -1.48 0.88 116.57 119.34 2kwd h LYS 28 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2kwd h LYS 28 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2kwd h LYS 28 CO -0.00 0.42 -0.05 0.28 -0.57 0.00 0.00 179.45 179.53 2kwd h VAL 29 N 0.66 1.12 -0.51 0.50 2.07 -1.54 -2.24 116.25 116.30 2kwd h VAL 29 Ca 0.42 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2kwd h VAL 29 Cb 0.52 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2kwd h VAL 29 CO -0.32 0.26 0.27 -0.26 0.02 0.00 0.00 177.57 177.54 2kwd h PHE 30 N -0.68 0.72 -0.16 1.57 0.04 -1.22 1.10 116.94 118.31 2kwd h PHE 30 Ca -0.01 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.55 2kwd h PHE 30 Cb 0.53 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2kwd h PHE 30 CO 0.09 0.54 -0.65 0.87 -0.60 0.00 0.00 178.31 178.56 2kwd h LYS 31 N 0.68 0.60 -0.06 1.51 1.57 0.65 0.39 116.57 121.92 2kwd h LYS 31 Ca 0.18 -0.43 -0.17 0.00 -1.87 0.00 0.00 60.65 58.36 2kwd h LYS 31 Cb 0.07 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2kwd h LYS 31 CO -0.03 1.05 -0.72 0.37 -0.57 0.00 0.00 179.45 179.55 2kwd h GLN 32 N 0.44 0.30 -0.48 3.15 4.15 -1.26 -3.12 115.11 118.29 2kwd h GLN 32 Ca -0.01 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.04 2kwd h GLN 32 Cb 1.22 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 2kwd h GLN 32 CO 0.12 0.89 -0.17 -0.92 -1.93 0.00 0.00 178.83 176.83 2kwd h TYR 33 N 0.20 1.06 -0.66 3.99 3.20 0.15 -2.51 116.97 122.40 2kwd h TYR 33 Ca -0.02 -0.24 0.01 0.00 3.14 0.00 0.00 58.73 61.62 2kwd h TYR 33 Cb 1.28 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2kwd h TYR 33 CO 0.03 1.03 0.44 0.00 -1.64 0.00 0.00 178.16 178.02 2kwd h ALA 34 N 0.97 1.56 -0.15 1.82 0.00 -0.86 0.23 119.26 122.83 2kwd h ALA 34 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2kwd h ALA 34 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kwd h ALA 34 CO 0.06 0.40 -0.38 -0.97 0.00 0.00 0.00 179.25 178.36 2kwd h ASN 35 N 0.87 0.59 0.57 0.00 -1.24 -1.52 -1.58 115.58 113.27 2kwd h ASN 35 Ca 0.25 -0.58 -0.03 0.00 0.71 0.00 0.00 56.30 56.65 2kwd h ASN 35 Cb -0.06 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.82 2kwd h ASN 35 CO -0.06 1.06 -0.16 0.44 -1.29 0.00 0.00 177.43 177.43 2kwd h ASP 36 N 0.14 0.00 0.54 1.15 3.32 -0.96 -3.11 116.42 117.50 2kwd h ASP 36 Ca -0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 2kwd h ASP 36 Cb 0.99 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 2kwd h ASP 36 CO 0.08 0.16 -1.59 -0.46 -1.72 0.00 0.00 179.24 175.72 2kwd n ASN 37 N -3.54 0.61 0.00 6.45 6.94 0.75 -5.01 115.26 121.48 2kwd n ASN 37 Ca -0.01 0.26 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 2kwd n ASN 37 Cb 0.31 0.58 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 2kwd n ASN 37 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kwd n GLY 38 N 1.40 1.68 3.29 4.83 0.00 -0.92 -5.07 105.19 110.40 2kwd n GLY 38 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.40 3.99 -0.22 1.61 0.11 -0.64 -4.93 120.40 118.92 2kwd s VAL 39 Ca 0.00 -1.14 -0.00 0.00 -2.93 0.00 0.00 61.98 57.91 2kwd s VAL 39 Cb 0.00 -3.29 0.06 0.00 -1.53 0.00 0.00 36.38 31.61 2kwd s VAL 39 CO 0.00 -0.25 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.86 2kwd s ASP 40 N 1.55 3.57 0.00 3.54 2.15 -1.26 -4.21 116.67 122.00 2kwd s ASP 40 Ca -0.00 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.92 2kwd s ASP 40 Cb -0.20 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 2kwd s ASP 40 CO 0.03 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2kwd n GLY 41 N 4.77 5.01 3.80 2.66 0.00 -1.26 -4.65 105.19 115.51 2kwd n GLY 41 Ca -0.11 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 1.71 3.63 0.02 1.61 0.41 0.31 -4.63 118.70 121.76 2kwd s GLU 42 Ca 0.00 1.36 0.06 0.00 -0.41 0.00 0.00 54.97 55.98 2kwd s GLU 42 Cb 0.00 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.26 2kwd s GLU 42 CO 0.00 -0.57 -0.17 -1.58 -0.49 0.00 0.00 175.26 172.44 2kwd s TRP 43 N -2.06 1.54 0.16 1.61 0.52 -1.26 -0.65 118.94 118.80 2kwd s TRP 43 Ca 0.67 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2kwd s TRP 43 Cb -0.17 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 2kwd s TRP 43 CO 0.25 0.04 -0.12 -0.08 0.02 0.00 0.00 176.95 177.05 2kwd s THR 44 N -0.68 1.33 -0.06 2.01 -1.32 -1.08 -5.03 115.64 110.82 2kwd s THR 44 Ca 0.05 -2.03 -0.02 0.00 -1.21 0.00 0.00 61.69 58.48 2kwd s THR 44 Cb -0.08 -1.83 0.03 0.00 -1.51 0.00 0.00 72.50 69.12 2kwd s THR 44 CO 0.01 -0.65 0.06 -0.47 -2.21 0.00 0.00 174.62 171.36 2kwd s TYR 45 N -3.01 0.10 -0.46 9.09 5.04 -1.26 -2.81 117.35 124.05 2kwd s TYR 45 Ca 0.16 0.17 -0.24 0.00 -2.44 0.00 0.00 57.07 54.72 2kwd s TYR 45 Cb 0.00 -0.52 0.03 0.00 0.35 0.00 0.00 41.96 41.82 2kwd s TYR 45 CO 0.02 -0.23 0.87 0.34 -1.34 0.00 0.00 175.55 175.21 2kwd s ASP 46 N 2.16 6.46 0.00 4.32 -1.08 0.77 -4.77 116.67 124.53 2kwd s ASP 46 Ca 0.05 0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.32 2kwd s ASP 46 Cb -0.12 -2.42 0.03 0.00 -1.46 0.00 0.00 42.92 38.94 2kwd s ASP 46 CO -0.04 -1.00 1.10 -0.67 0.52 0.00 0.00 175.17 175.08 2kwd n ASP 47 N 6.99 1.43 0.08 -0.34 -0.08 -1.26 0.88 116.55 124.24 2kwd n ASP 47 Ca 0.05 -1.16 -0.05 0.00 -1.51 0.00 0.00 54.79 52.11 2kwd n ASP 47 Cb 0.48 0.61 -0.08 0.00 2.34 0.00 0.00 41.12 44.48 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 3.47 0.44 0.00 -1.67 0.00 -1.95 -3.35 119.26 116.21 2kwd h ALA 48 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2kwd h ALA 48 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kwd h ALA 48 CO 0.00 1.14 0.00 0.25 0.00 0.00 0.00 179.25 180.64 2kwd n THR 49 N -3.38 0.18 -3.36 0.00 -2.24 -1.25 -5.03 114.28 99.21 2kwd n THR 49 Ca 0.00 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 2kwd n THR 49 Cb 0.89 1.23 0.08 0.00 -2.10 0.00 0.00 70.33 70.43 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 -0.09 -5.34 -3.82 -0.78 4.76 0.35 -4.86 118.16 108.38 2kwd n LYS 50 Ca 0.00 0.84 -0.18 0.00 -2.87 0.00 0.00 58.31 56.11 2kwd n LYS 50 Cb 0.26 -5.81 -0.17 0.00 -1.84 0.00 0.00 35.03 27.47 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 0.08 0.20 -0.18 2.01 0.25 -0.83 115.64 113.82 2kwd s THR 51 Ca 0.13 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.37 2kwd s THR 51 Cb -0.02 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 2kwd s THR 51 CO 0.72 0.15 0.17 -0.36 -0.69 0.00 0.00 174.62 174.61 2kwd s PHE 52 N 1.37 3.14 -0.14 4.92 0.40 0.43 0.27 117.98 128.37 2kwd s PHE 52 Ca -0.05 -0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.15 2kwd s PHE 52 Cb -0.13 -1.47 0.05 0.00 0.51 0.00 0.00 43.02 41.99 2kwd s PHE 52 CO -0.03 0.52 0.33 0.95 0.70 0.00 0.00 175.22 177.69 2kwd s THR 53 N -1.92 -0.06 -0.16 0.64 -4.23 -1.12 -0.81 115.64 107.98 2kwd s THR 53 Ca 0.32 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2kwd s THR 53 Cb -0.09 -0.50 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 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 1.39 3.17 -0.13 2.29 0.11 -1.21 -2.62 120.40 123.40 2kwd s VAL 54 Ca -0.09 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2kwd s VAL 54 Cb -0.09 -2.37 0.01 0.00 -1.53 0.00 0.00 36.38 32.40 2kwd s VAL 54 CO -0.11 0.50 -0.17 0.28 -3.33 0.00 0.00 175.10 172.27 2kwd s THR 55 N 0.65 1.72 -0.95 5.04 -1.32 0.17 -3.16 115.64 117.79 2kwd s THR 55 Ca -0.06 -0.76 0.08 0.00 -1.21 0.00 0.00 61.69 59.74 2kwd s THR 55 Cb -0.15 -1.56 0.06 0.00 -1.51 0.00 0.00 72.50 69.34 2kwd s THR 55 CO 0.02 0.48 0.74 -1.84 -2.21 0.00 0.00 174.62 171.82