#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 1.42 0.04 3.17 -0.21 -1.26 -2.64 119.66 120.18 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 -1.87 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 2kwd s GLN 2 CO 0.00 0.45 -0.20 0.71 -2.12 0.00 0.00 175.29 174.13 2kwd s TYR 3 N -1.04 2.52 -0.13 0.91 2.02 -0.87 -4.78 117.35 115.97 2kwd s TYR 3 Ca 0.13 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 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 0.05 0.22 -0.21 0.21 -1.57 0.00 0.00 175.55 174.25 2kwd s LYS 4 N -1.35 3.07 -0.17 -0.62 2.20 -0.19 -2.08 119.74 120.61 2kwd s LYS 4 Ca 0.14 -0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 2kwd s LYS 4 Cb -0.10 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2kwd s LYS 4 CO 0.04 0.05 0.02 -1.17 -0.36 0.00 0.00 175.35 173.93 2kwd s LEU 5 N 0.67 3.57 -0.15 5.43 1.98 0.45 0.90 118.68 131.53 2kwd s LEU 5 Ca -0.10 -0.01 -0.11 0.00 -2.89 0.00 0.00 54.13 51.02 2kwd s LEU 5 Cb -0.16 -1.88 -0.05 0.00 0.66 0.00 0.00 46.19 44.76 2kwd s LEU 5 CO 0.02 0.18 0.23 -0.63 -1.89 0.00 0.00 176.35 174.25 2kwd s ILE 6 N 0.34 5.35 -0.34 6.68 -1.09 -0.08 0.82 121.20 132.88 2kwd s ILE 6 Ca -0.00 0.41 -0.21 0.00 -2.23 0.00 0.00 60.65 58.62 2kwd s ILE 6 Cb -0.13 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2kwd s ILE 6 CO 0.01 0.47 0.67 -0.76 -1.23 0.00 0.00 174.94 174.10 2kwd s LEU 7 N -0.06 4.20 -0.41 2.97 1.02 -0.61 -3.35 118.68 122.44 2kwd s LEU 7 Ca 0.15 0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.60 2kwd s LEU 7 Cb -0.13 -2.85 0.15 0.00 0.02 0.00 0.00 46.19 43.38 2kwd s LEU 7 CO 0.03 -0.59 0.26 0.54 0.02 0.00 0.00 176.35 176.62 2kwd s ASN 8 N 1.75 2.87 0.00 2.29 4.22 -1.20 -3.30 114.94 121.57 2kwd s ASN 8 Ca 0.26 -2.60 0.00 0.00 -2.14 0.00 0.00 52.86 48.38 2kwd s ASN 8 Cb -0.14 -0.64 0.00 0.00 1.28 0.00 0.00 41.25 41.75 2kwd s ASN 8 CO 0.14 -0.25 0.00 0.61 -2.04 0.00 0.00 177.10 175.56 2kwd n GLY 9 N 3.51 6.60 0.23 0.45 0.00 -0.65 -3.72 105.19 111.60 2kwd n GLY 9 Ca 0.16 -1.82 -0.14 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 -0.48 0.00 1.61 1.57 -1.93 -3.39 116.57 113.95 2kwd h LYS 10 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2kwd h LYS 10 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2kwd h LYS 10 CO 0.00 -0.21 0.00 2.41 -0.57 0.00 0.00 179.45 181.08 2kwd n THR 11 N -5.22 0.00 -2.82 -0.16 -1.04 -1.26 -5.01 114.28 98.77 2kwd n THR 11 Ca -0.10 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.25 2kwd n THR 11 Cb 0.26 1.36 -0.04 0.00 -1.82 0.00 0.00 70.33 70.09 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 -0.31 4.01 -0.09 -4.42 1.43 -1.26 -5.00 118.68 113.04 2kwd s LEU 12 Ca 0.00 0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2kwd s LEU 12 Cb 0.00 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 43.02 2kwd s LEU 12 CO 0.00 -0.83 0.22 -0.54 0.23 0.00 0.00 176.35 175.43 2kwd s LYS 13 N 3.41 0.16 0.00 1.70 3.01 -1.26 -1.63 119.74 125.13 2kwd s LYS 13 Ca 0.37 0.50 0.00 0.00 -1.01 0.00 0.00 55.97 55.83 2kwd s LYS 13 Cb -0.12 -0.14 0.00 0.00 -1.01 0.00 0.00 37.83 36.56 2kwd s LYS 13 CO 0.18 -0.17 0.00 0.41 0.51 0.00 0.00 175.35 176.27 2kwd n GLY 14 N 4.31 -0.63 3.49 -3.33 0.00 -1.21 -4.98 105.19 102.83 2kwd n GLY 14 Ca -0.24 -0.57 -0.24 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 -1.02 1.69 -0.04 1.61 0.41 -1.26 -1.58 118.70 118.52 2kwd s GLU 15 Ca 0.00 -1.85 -0.09 0.00 -0.41 0.00 0.00 54.97 52.62 2kwd s GLU 15 Cb 0.00 -1.51 0.01 0.00 -1.78 0.00 0.00 34.13 30.85 2kwd s GLU 15 CO 0.00 0.14 0.21 0.95 -0.49 0.00 0.00 175.26 176.07 2kwd s THR 16 N -2.74 0.05 0.12 3.63 -4.23 0.24 -4.88 115.64 107.82 2kwd s THR 16 Ca 0.31 -0.38 -0.08 0.00 -1.18 0.00 0.00 61.69 60.36 2kwd s THR 16 Cb 0.02 -0.43 -0.01 0.00 1.34 0.00 0.00 72.50 73.42 2kwd s THR 16 CO 0.14 -0.21 0.21 -0.89 -0.54 0.00 0.00 174.62 173.33 2kwd s THR 17 N -0.78 0.11 0.01 3.99 2.01 -1.26 0.17 115.64 119.89 2kwd s THR 17 Ca -0.09 -1.34 -0.22 0.00 0.31 0.00 0.00 61.69 60.35 2kwd s THR 17 Cb -0.05 -1.59 0.05 0.00 0.01 0.00 0.00 72.50 70.92 2kwd s THR 17 CO 0.02 -0.52 0.49 0.28 -0.69 0.00 0.00 174.62 174.20 2kwd s THR 18 N -3.92 0.03 -0.39 -0.82 -1.32 -0.88 -4.98 115.64 103.37 2kwd s THR 18 Ca 0.11 -0.28 -0.12 0.00 -1.21 0.00 0.00 61.69 60.19 2kwd s THR 18 Cb 0.05 -0.90 0.03 0.00 -1.51 0.00 0.00 72.50 70.17 2kwd s THR 18 CO -0.06 -0.16 0.23 -0.70 -2.21 0.00 0.00 174.62 171.72 2kwd s GLU 19 N -1.94 2.82 0.07 7.08 2.56 -1.26 -2.05 118.70 125.98 2kwd s GLU 19 Ca -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 54.97 53.75 2kwd s GLU 19 Cb -0.01 -3.78 -0.04 0.00 2.00 0.00 0.00 34.13 32.30 2kwd s GLU 19 CO 0.02 -0.74 0.00 0.00 -0.56 0.00 0.00 175.26 173.98 2kwd s ALA 20 N 1.56 0.51 -0.06 6.30 0.00 -1.08 -5.05 121.76 123.95 2kwd s ALA 20 Ca 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 2kwd s ALA 20 Cb -0.20 0.39 -0.27 0.00 0.00 0.00 0.00 23.12 23.04 2kwd s ALA 20 CO 0.07 -0.40 0.61 -0.24 0.00 0.00 0.00 175.76 175.80 2kwd h VAL 21 N 3.07 0.87 -2.76 0.00 3.04 -1.98 -3.18 116.25 115.31 2kwd h VAL 21 Ca -0.34 -2.55 -0.59 0.00 -1.01 0.00 0.00 66.70 62.21 2kwd h VAL 21 Cb 1.15 2.63 -0.09 0.00 -2.01 0.00 0.00 31.29 32.98 2kwd h VAL 21 CO 0.64 0.82 -0.61 -0.62 -1.01 0.00 0.00 177.57 176.79 2kwd s ASP 22 N -6.98 5.14 -0.03 3.17 2.15 -1.26 -4.84 116.67 114.03 2kwd s ASP 22 Ca -0.15 -0.27 -0.23 0.00 0.43 0.00 0.00 52.55 52.33 2kwd s ASP 22 Cb 0.06 -1.23 -0.22 0.00 -0.30 0.00 0.00 42.92 41.24 2kwd s ASP 22 CO 0.82 0.07 1.08 0.00 -0.17 0.00 0.00 175.17 176.98 2kwd h ALA 23 N 2.52 0.06 -0.62 3.66 0.00 -2.00 -3.13 119.26 119.74 2kwd h ALA 23 Ca -0.47 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 2kwd h ALA 23 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2kwd h ALA 23 CO 0.61 0.14 0.24 0.00 0.00 0.00 0.00 179.25 180.23 2kwd h ALA 24 N 0.31 0.81 0.00 0.00 0.00 -2.00 -2.48 119.26 115.90 2kwd h ALA 24 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kwd h ALA 24 Cb 1.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kwd h ALA 24 CO 0.06 0.44 -0.00 0.00 0.00 0.00 0.00 179.25 179.75 2kwd h THR 25 N 0.87 0.98 -0.26 0.00 1.03 -1.99 -1.57 112.91 111.97 2kwd h THR 25 Ca 0.21 -0.01 -0.12 0.00 -0.01 0.00 0.00 66.41 66.48 2kwd h THR 25 Cb 0.22 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2kwd h THR 25 CO -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 175.52 175.17 2kwd h ALA 26 N 2.00 0.96 -0.02 0.00 0.00 -1.39 -2.81 119.26 118.00 2kwd h ALA 26 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2kwd h ALA 26 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kwd h ALA 26 CO 0.00 0.61 -0.42 1.05 0.00 0.00 0.00 179.25 180.49 2kwd h GLU 27 N 0.47 0.05 -0.77 0.00 4.11 -1.13 -2.90 114.58 114.40 2kwd h GLU 27 Ca 0.05 -0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.53 2kwd h GLU 27 Cb 0.79 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 2kwd h GLU 27 CO 0.06 0.47 0.45 0.87 0.07 0.00 0.00 179.01 180.93 2kwd h LYS 28 N 0.04 0.79 0.09 1.06 1.57 -1.23 1.14 116.57 120.04 2kwd h LYS 28 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kwd h LYS 28 Cb 0.77 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2kwd h LYS 28 CO 0.06 0.52 -0.04 0.28 -0.57 0.00 0.00 179.45 179.70 2kwd h VAL 29 N 0.81 1.15 -0.49 0.50 2.07 -1.62 -2.26 116.25 116.42 2kwd h VAL 29 Ca 0.34 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2kwd h VAL 29 Cb 0.21 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2kwd h VAL 29 CO -0.19 0.25 0.25 -0.26 0.02 0.00 0.00 177.57 177.65 2kwd h PHE 30 N -0.62 0.69 -0.36 1.57 0.04 -1.25 0.84 116.94 117.84 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 0.51 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2kwd h PHE 30 CO 0.08 0.53 -0.21 0.87 -0.60 0.00 0.00 178.31 178.98 2kwd h LYS 31 N 0.65 0.77 -0.12 1.51 1.57 0.12 0.16 116.57 121.23 2kwd h LYS 31 Ca 0.17 -0.36 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 2kwd h LYS 31 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kwd h LYS 31 CO -0.02 0.98 -0.49 0.37 -0.57 0.00 0.00 179.45 179.71 2kwd h GLN 32 N 0.56 0.33 -0.31 3.15 4.15 -1.29 -2.87 115.11 118.83 2kwd h GLN 32 Ca 0.07 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.19 2kwd h GLN 32 Cb 0.77 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2kwd h GLN 32 CO 0.06 0.75 -0.30 -0.92 -1.93 0.00 0.00 178.83 176.50 2kwd h TYR 33 N 0.26 0.74 -0.74 3.99 3.20 0.92 -2.89 116.97 122.46 2kwd h TYR 33 Ca 0.01 -0.18 0.03 0.00 3.14 0.00 0.00 58.73 61.73 2kwd h TYR 33 Cb 0.97 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 2kwd h TYR 33 CO 0.02 0.87 0.49 0.00 -1.64 0.00 0.00 178.16 177.90 2kwd h ALA 34 N 1.12 1.57 -0.33 1.82 0.00 -0.45 0.22 119.26 123.22 2kwd h ALA 34 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2kwd h ALA 34 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kwd h ALA 34 CO 0.06 0.35 0.07 -0.97 0.00 0.00 0.00 179.25 178.76 2kwd h ASN 35 N 0.89 0.51 0.58 0.00 -1.24 -1.50 0.87 115.58 115.69 2kwd h ASN 35 Ca 0.29 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2kwd h ASN 35 Cb 0.06 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2kwd h ASN 35 CO -0.08 0.62 -0.08 0.44 -1.29 0.00 0.00 177.43 177.04 2kwd h ASP 36 N 0.37 0.00 0.71 1.15 3.32 -1.24 -2.83 116.42 117.89 2kwd h ASP 36 Ca 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 2kwd h ASP 36 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2kwd h ASP 36 CO 0.00 0.08 -1.42 0.78 -1.72 0.00 0.00 179.24 176.97 2kwd h ASN 37 N 0.00 0.00 0.00 6.45 4.21 0.07 -3.49 115.58 122.82 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 0.43 3.29 2.83 0.00 0.24 -5.01 105.19 108.39 2kwd n GLY 38 Ca -0.10 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 -2.02 3.99 -0.22 1.61 0.11 -1.08 -4.95 120.40 117.84 2kwd s VAL 39 Ca 0.00 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 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 -0.05 -0.62 -3.33 0.00 0.00 175.10 170.85 2kwd s ASP 40 N 1.55 3.61 0.00 3.54 -1.08 -1.26 -4.60 116.67 118.43 2kwd s ASP 40 Ca -0.00 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 2kwd s ASP 40 Cb -0.20 -1.09 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 2kwd s ASP 40 CO 0.03 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.10 2kwd n GLY 41 N 4.74 5.06 3.71 2.66 0.00 -1.26 -4.64 105.19 115.45 2kwd n GLY 41 Ca -0.12 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 1.68 4.44 0.28 1.61 0.41 0.33 -4.60 118.70 122.84 2kwd s GLU 42 Ca 0.00 1.74 0.04 0.00 -0.41 0.00 0.00 54.97 56.35 2kwd s GLU 42 Cb 0.00 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 28.96 2kwd s GLU 42 CO 0.00 -0.25 0.42 -1.58 -0.49 0.00 0.00 175.26 173.36 2kwd s TRP 43 N 1.09 3.39 0.17 1.61 0.52 -1.26 -0.80 118.94 123.65 2kwd s TRP 43 Ca 0.58 0.01 -0.20 0.00 0.02 0.00 0.00 56.10 56.52 2kwd s TRP 43 Cb -0.29 -1.73 0.04 0.00 -1.15 0.00 0.00 33.47 30.35 2kwd s TRP 43 CO 0.29 0.28 0.54 -0.08 0.02 0.00 0.00 176.95 178.00 2kwd s THR 44 N -2.09 0.02 -0.24 2.01 -1.32 -1.11 -5.01 115.64 107.90 2kwd s THR 44 Ca 0.38 -0.46 -0.08 0.00 -1.21 0.00 0.00 61.69 60.31 2kwd s THR 44 Cb -0.09 -1.30 0.11 0.00 -1.51 0.00 0.00 72.50 69.70 2kwd s THR 44 CO 0.31 -0.11 0.52 -0.47 -2.21 0.00 0.00 174.62 172.66 2kwd s TYR 45 N -3.82 -1.03 -0.38 9.09 5.04 -1.26 -2.97 117.35 122.02 2kwd s TYR 45 Ca 0.05 1.87 -0.16 0.00 -2.44 0.00 0.00 57.07 56.39 2kwd s TYR 45 Cb -0.01 0.52 0.01 0.00 0.35 0.00 0.00 41.96 42.83 2kwd s TYR 45 CO -0.08 -0.56 0.38 0.34 -1.34 0.00 0.00 175.55 174.29 2kwd s ASP 46 N 2.72 6.17 0.01 4.32 -1.08 -0.08 -4.91 116.67 123.82 2kwd s ASP 46 Ca -0.04 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 51.77 2kwd s ASP 46 Cb -0.12 -2.20 0.94 0.00 -1.46 0.00 0.00 42.92 40.08 2kwd s ASP 46 CO -0.15 -0.45 1.73 -0.67 0.52 0.00 0.00 175.17 176.15 2kwd n ASP 47 N 5.43 0.22 0.19 -0.34 -0.08 -1.26 -1.33 116.55 119.38 2kwd n ASP 47 Ca -0.09 0.22 0.08 0.00 -1.51 0.00 0.00 54.79 53.49 2kwd n ASP 47 Cb 0.48 -0.22 0.13 0.00 2.34 0.00 0.00 41.12 43.85 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 -3.31 119.26 116.16 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 60.83 2kwd n THR 49 Cb 0.61 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 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 -2.17 -4.05 -0.78 4.76 -0.44 -4.82 118.16 110.29 2kwd n LYS 50 Ca 0.01 0.31 -0.20 0.00 -2.87 0.00 0.00 58.31 55.56 2kwd n LYS 50 Cb 0.40 -4.06 -0.17 0.00 -1.84 0.00 0.00 35.03 29.36 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 -3.92 0.48 0.23 -0.18 2.01 -0.50 -1.02 115.64 112.74 2kwd s THR 51 Ca 0.13 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.14 2kwd s THR 51 Cb -0.06 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2kwd s THR 51 CO 0.92 0.23 0.14 -0.36 -0.69 0.00 0.00 174.62 174.85 2kwd s PHE 52 N 1.16 3.04 -0.18 4.92 0.40 0.26 -0.90 117.98 126.67 2kwd s PHE 52 Ca -0.07 -0.11 -0.10 0.00 -0.60 0.00 0.00 56.93 56.06 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 0.43 0.95 0.70 0.00 0.00 175.22 177.82 2kwd s THR 53 N -2.03 -0.09 -0.18 0.64 -4.23 -1.16 -0.91 115.64 107.69 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 73.10 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 3.16 -0.14 2.29 0.11 -1.21 -2.74 120.40 123.41 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 -2.38 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 0.00 175.10 172.25 2kwd s THR 55 N 0.93 1.54 -1.66 5.04 -1.32 0.02 -3.24 115.64 116.96 2kwd s THR 55 Ca -0.02 -0.62 0.13 0.00 -1.21 0.00 0.00 61.69 59.98 2kwd s THR 55 Cb -0.15 -1.44 0.10 0.00 -1.51 0.00 0.00 72.50 69.50 2kwd s THR 55 CO -0.00 0.45 0.92 -1.84 -2.21 0.00 0.00 174.62 171.94