#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 1.66 0.05 3.17 -0.21 -1.26 -1.42 119.66 121.64 2kwd s GLN 2 Ca 0.00 -1.22 0.08 0.00 0.02 0.00 0.00 55.36 54.24 2kwd s GLN 2 Cb 0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 2kwd s GLN 2 CO 0.00 0.48 -0.21 0.71 -2.12 0.00 0.00 175.29 174.15 2kwd s TYR 3 N -1.06 2.48 -0.13 0.91 2.02 -0.71 -4.78 117.35 116.07 2kwd s TYR 3 Ca 0.16 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 2kwd s TYR 3 Cb -0.10 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 2kwd s TYR 3 CO 0.07 0.23 -0.21 0.21 -1.57 0.00 0.00 175.55 174.28 2kwd s LYS 4 N -1.43 3.07 -0.18 -0.62 2.20 -0.33 -2.01 119.74 120.44 2kwd s LYS 4 Ca 0.14 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.85 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 0.03 0.04 -1.17 -0.36 0.00 0.00 175.35 173.94 2kwd s LEU 5 N 0.71 3.67 -0.15 5.43 1.98 0.50 0.11 118.68 130.93 2kwd s LEU 5 Ca -0.09 0.03 -0.11 0.00 -2.89 0.00 0.00 54.13 51.07 2kwd s LEU 5 Cb -0.16 -1.92 -0.05 0.00 0.66 0.00 0.00 46.19 44.72 2kwd s LEU 5 CO 0.01 0.17 0.21 -0.63 -1.89 0.00 0.00 176.35 174.21 2kwd s ILE 6 N 0.39 5.37 -0.34 6.68 -1.09 0.15 0.10 121.20 132.46 2kwd s ILE 6 Ca 0.01 0.36 -0.21 0.00 -2.23 0.00 0.00 60.65 58.59 2kwd s ILE 6 Cb -0.13 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2kwd s ILE 6 CO 0.01 0.48 0.67 -0.76 -1.23 0.00 0.00 174.94 174.11 2kwd s LEU 7 N -0.05 4.18 -0.42 2.97 1.02 -0.78 -3.35 118.68 122.25 2kwd s LEU 7 Ca 0.14 0.32 0.02 0.00 0.02 0.00 0.00 54.13 54.62 2kwd s LEU 7 Cb -0.12 -2.86 0.15 0.00 0.02 0.00 0.00 46.19 43.37 2kwd s LEU 7 CO 0.03 -0.58 0.27 0.54 0.02 0.00 0.00 176.35 176.63 2kwd s ASN 8 N 1.74 2.88 0.00 2.29 4.22 -1.20 -3.39 114.94 121.48 2kwd s ASN 8 Ca 0.27 -2.67 0.00 0.00 -2.14 0.00 0.00 52.86 48.32 2kwd s ASN 8 Cb -0.14 -0.67 0.00 0.00 1.28 0.00 0.00 41.25 41.71 2kwd s ASN 8 CO 0.14 -0.24 0.00 0.61 -2.04 0.00 0.00 177.10 175.57 2kwd n GLY 9 N 3.43 6.88 0.32 0.45 0.00 -0.67 -3.75 105.19 111.85 2kwd n GLY 9 Ca 0.16 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.74 0.00 1.61 1.57 -1.93 -3.38 116.57 113.70 2kwd h LYS 10 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kwd h LYS 10 Cb 0.00 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2kwd h LYS 10 CO 0.00 -0.47 0.00 2.41 -0.57 0.00 0.00 179.45 180.82 2kwd n THR 11 N -5.40 0.00 -2.79 -0.16 -1.04 -1.26 -5.00 114.28 98.63 2kwd n THR 11 Ca -0.12 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.24 2kwd n THR 11 Cb 0.33 1.47 -0.04 0.00 -1.82 0.00 0.00 70.33 70.27 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 -0.14 3.97 -0.08 -4.42 1.43 -1.26 -4.99 118.68 113.19 2kwd s LEU 12 Ca 0.00 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2kwd s LEU 12 Cb 0.00 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.99 2kwd s LEU 12 CO 0.00 -0.94 0.18 -0.54 0.23 0.00 0.00 176.35 175.28 2kwd s LYS 13 N 3.63 0.14 0.00 1.70 3.01 -1.26 -1.67 119.74 125.29 2kwd s LYS 13 Ca 0.39 0.43 0.00 0.00 -1.01 0.00 0.00 55.97 55.77 2kwd s LYS 13 Cb -0.11 -0.15 0.00 0.00 -1.01 0.00 0.00 37.83 36.56 2kwd s LYS 13 CO 0.22 -0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.33 2kwd n GLY 14 N 4.19 -0.65 3.42 -3.33 0.00 -1.22 -4.98 105.19 102.63 2kwd n GLY 14 Ca -0.26 -0.53 -0.21 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 -1.01 1.53 -0.03 1.61 0.41 -1.26 -1.87 118.70 118.08 2kwd s GLU 15 Ca 0.00 -1.75 -0.09 0.00 -0.41 0.00 0.00 54.97 52.72 2kwd s GLU 15 Cb 0.00 -1.24 0.01 0.00 -1.78 0.00 0.00 34.13 31.12 2kwd s GLU 15 CO 0.00 0.10 0.20 0.95 -0.49 0.00 0.00 175.26 176.02 2kwd s THR 16 N -2.93 0.05 0.11 3.63 -4.23 0.29 -4.89 115.64 107.66 2kwd s THR 16 Ca 0.28 -0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 2kwd s THR 16 Cb 0.02 -0.41 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 2kwd s THR 16 CO 0.11 -0.21 0.20 -0.89 -0.54 0.00 0.00 174.62 173.30 2kwd s THR 17 N -0.77 0.13 0.02 3.99 2.01 -1.26 0.19 115.64 119.95 2kwd s THR 17 Ca -0.09 -1.27 -0.21 0.00 0.31 0.00 0.00 61.69 60.43 2kwd s THR 17 Cb -0.05 -1.48 0.05 0.00 0.01 0.00 0.00 72.50 71.03 2kwd s THR 17 CO 0.01 -0.58 0.49 0.28 -0.69 0.00 0.00 174.62 174.13 2kwd s THR 18 N -3.89 0.04 -0.28 -0.82 -1.32 -0.85 -4.98 115.64 103.53 2kwd s THR 18 Ca 0.08 -0.30 -0.09 0.00 -1.21 0.00 0.00 61.69 60.17 2kwd s THR 18 Cb 0.05 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 70.08 2kwd s THR 18 CO -0.08 -0.16 0.14 -0.70 -2.21 0.00 0.00 174.62 171.61 2kwd s GLU 19 N -2.14 3.69 0.12 7.08 2.56 -1.26 -1.74 118.70 127.01 2kwd s GLU 19 Ca -0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 54.97 54.28 2kwd s GLU 19 Cb -0.01 -3.52 0.03 0.00 2.00 0.00 0.00 34.13 32.62 2kwd s GLU 19 CO 0.01 -0.25 0.36 0.00 -0.56 0.00 0.00 175.26 174.82 2kwd s ALA 20 N 1.67 -0.78 -0.10 6.30 0.00 -0.51 -5.01 121.76 123.33 2kwd s ALA 20 Ca 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 2kwd s ALA 20 Cb -0.16 0.67 -0.26 0.00 0.00 0.00 0.00 23.12 23.36 2kwd s ALA 20 CO 0.07 -0.63 0.44 -0.24 0.00 0.00 0.00 175.76 175.41 2kwd h VAL 21 N 2.43 0.69 -2.99 0.00 3.04 -1.98 -2.75 116.25 114.70 2kwd h VAL 21 Ca -0.34 -2.41 -0.63 0.00 -1.01 0.00 0.00 66.70 62.32 2kwd h VAL 21 Cb 1.25 2.53 -0.06 0.00 -2.01 0.00 0.00 31.29 33.00 2kwd h VAL 21 CO 0.48 0.86 -0.53 -0.62 -1.01 0.00 0.00 177.57 176.75 2kwd s ASP 22 N -6.98 6.11 0.00 3.17 2.15 -1.26 -4.85 116.67 115.01 2kwd s ASP 22 Ca -0.20 0.19 -0.21 0.00 0.43 0.00 0.00 52.55 52.76 2kwd s ASP 22 Cb 0.07 -1.82 -0.20 0.00 -0.30 0.00 0.00 42.92 40.67 2kwd s ASP 22 CO 0.79 0.18 1.18 0.00 -0.17 0.00 0.00 175.17 177.14 2kwd h ALA 23 N 3.20 0.12 -0.50 3.66 0.00 -2.00 -3.08 119.26 120.66 2kwd h ALA 23 Ca -0.46 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 2kwd h ALA 23 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2kwd h ALA 23 CO 0.73 0.17 0.20 0.00 0.00 0.00 0.00 179.25 180.35 2kwd h ALA 24 N 0.42 0.65 -0.14 0.00 0.00 -2.01 -2.47 119.26 115.72 2kwd h ALA 24 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kwd h ALA 24 Cb 0.95 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kwd h ALA 24 CO 0.06 0.26 0.11 0.00 0.00 0.00 0.00 179.25 179.68 2kwd h THR 25 N 0.67 0.83 -0.26 0.00 1.03 -1.98 -0.91 112.91 112.29 2kwd h THR 25 Ca 0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.46 2kwd h THR 25 Cb 0.19 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 2kwd h THR 25 CO -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 175.52 175.21 2kwd h ALA 26 N 1.92 1.02 -0.02 0.00 0.00 -1.35 -2.83 119.26 118.00 2kwd h ALA 26 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2kwd h ALA 26 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kwd h ALA 26 CO -0.00 0.59 -0.57 1.05 0.00 0.00 0.00 179.25 180.32 2kwd h GLU 27 N 0.45 0.06 -0.76 0.00 4.11 -1.06 -2.98 114.58 114.39 2kwd h GLU 27 Ca 0.06 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.55 2kwd h GLU 27 Cb 0.73 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 2kwd h GLU 27 CO 0.06 0.61 0.40 0.87 0.07 0.00 0.00 179.01 181.01 2kwd h LYS 28 N 0.05 0.63 0.10 1.06 1.57 -1.22 1.12 116.57 119.88 2kwd h LYS 28 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kwd h LYS 28 Cb 1.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2kwd h LYS 28 CO 0.08 0.42 -0.05 0.28 -0.57 0.00 0.00 179.45 179.60 2kwd h VAL 29 N 0.65 1.12 -0.49 0.50 2.07 -1.62 -2.35 116.25 116.13 2kwd h VAL 29 Ca 0.38 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2kwd h VAL 29 Cb 0.42 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2kwd h VAL 29 CO -0.28 0.25 0.23 -0.26 0.02 0.00 0.00 177.57 177.52 2kwd h PHE 30 N -0.65 0.71 -0.17 1.57 0.04 -1.25 0.94 116.94 118.12 2kwd h PHE 30 Ca -0.01 -0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 2kwd h PHE 30 Cb 0.51 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 2kwd h PHE 30 CO 0.08 0.57 -0.60 0.87 -0.60 0.00 0.00 178.31 178.63 2kwd h LYS 31 N 0.64 0.59 -0.05 1.51 1.57 0.12 0.14 116.57 121.09 2kwd h LYS 31 Ca 0.17 -0.40 -0.18 0.00 -1.87 0.00 0.00 60.65 58.37 2kwd h LYS 31 Cb 0.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2kwd h LYS 31 CO -0.02 1.02 -0.74 0.37 -0.57 0.00 0.00 179.45 179.50 2kwd h GLN 32 N 0.44 0.29 -0.23 3.15 4.15 -1.31 -3.08 115.11 118.52 2kwd h GLN 32 Ca -0.00 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.05 2kwd h GLN 32 Cb 1.17 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 2kwd h GLN 32 CO 0.12 0.90 -0.38 -0.92 -1.93 0.00 0.00 178.83 176.62 2kwd h TYR 33 N 0.19 0.61 -0.73 3.99 3.20 0.11 -2.91 116.97 121.42 2kwd h TYR 33 Ca -0.03 -0.17 0.04 0.00 3.14 0.00 0.00 58.73 61.71 2kwd h TYR 33 Cb 1.31 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 2kwd h TYR 33 CO 0.03 0.83 0.48 0.00 -1.64 0.00 0.00 178.16 177.86 2kwd h ALA 34 N 1.16 1.59 -0.37 1.82 0.00 -0.62 0.15 119.26 122.98 2kwd h ALA 34 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kwd h ALA 34 Cb 0.86 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2kwd h ALA 34 CO 0.07 0.33 0.09 -0.97 0.00 0.00 0.00 179.25 178.77 2kwd h ASN 35 N 0.87 0.56 0.57 0.00 -1.24 -1.55 0.10 115.58 114.91 2kwd h ASN 35 Ca 0.30 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 2kwd h ASN 35 Cb 0.09 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 2kwd h ASN 35 CO -0.09 0.65 -0.07 0.44 -1.29 0.00 0.00 177.43 177.07 2kwd h ASP 36 N 0.45 0.00 0.65 1.15 3.32 -1.26 -2.83 116.42 117.89 2kwd h ASP 36 Ca 0.12 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 2kwd h ASP 36 Cb 0.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 2kwd h ASP 36 CO 0.00 0.07 -1.49 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 0.43 -5.00 115.26 118.79 2kwd n ASN 37 Ca -0.01 0.38 0.00 0.00 1.68 0.00 0.00 54.58 56.63 2kwd n ASN 37 Cb 0.25 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 1.39 3.34 7.41 0.00 0.29 -5.01 105.19 114.04 2kwd n GLY 38 Ca -0.11 0.00 -0.41 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 -2.25 4.49 -0.22 1.61 0.11 -1.09 -4.96 120.40 118.09 2kwd s VAL 39 Ca 0.00 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 2kwd s VAL 39 Cb 0.00 -3.58 0.06 0.00 -1.53 0.00 0.00 36.38 31.33 2kwd s VAL 39 CO 0.00 -0.32 -0.04 -0.62 -3.33 0.00 0.00 175.10 170.78 2kwd s ASP 40 N 1.74 3.62 0.00 3.54 -1.08 -1.26 -4.59 116.67 118.64 2kwd s ASP 40 Ca 0.02 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 2kwd s ASP 40 Cb -0.20 -1.08 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 2kwd s ASP 40 CO 0.05 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.12 2kwd n GLY 41 N 4.74 5.13 3.80 2.66 0.00 -1.26 -4.65 105.19 115.60 2kwd n GLY 41 Ca -0.12 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 1.82 3.70 0.01 1.61 0.41 0.30 -4.64 118.70 121.91 2kwd s GLU 42 Ca 0.00 1.38 0.06 0.00 -0.41 0.00 0.00 54.97 56.00 2kwd s GLU 42 Cb 0.00 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.25 2kwd s GLU 42 CO 0.00 -0.52 -0.18 -1.58 -0.49 0.00 0.00 175.26 172.49 2kwd s TRP 43 N -2.00 1.63 0.14 1.61 0.52 -1.26 -0.75 118.94 118.83 2kwd s TRP 43 Ca 0.68 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2kwd s TRP 43 Cb -0.17 -1.01 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 2kwd s TRP 43 CO 0.22 0.02 -0.11 -0.08 0.02 0.00 0.00 176.95 177.02 2kwd s THR 44 N -0.61 1.25 -0.07 2.01 -1.32 -1.07 -5.03 115.64 110.81 2kwd s THR 44 Ca 0.06 -1.96 -0.03 0.00 -1.21 0.00 0.00 61.69 58.55 2kwd s THR 44 Cb -0.08 -1.75 0.04 0.00 -1.51 0.00 0.00 72.50 69.20 2kwd s THR 44 CO 0.00 -0.64 0.09 -0.47 -2.21 0.00 0.00 174.62 171.40 2kwd s TYR 45 N -2.94 -0.00 -0.46 9.09 5.04 -1.26 -2.69 117.35 124.12 2kwd s TYR 45 Ca 0.15 0.30 -0.25 0.00 -2.44 0.00 0.00 57.07 54.83 2kwd s TYR 45 Cb -0.00 -0.44 0.03 0.00 0.35 0.00 0.00 41.96 41.90 2kwd s TYR 45 CO 0.02 -0.25 0.87 0.34 -1.34 0.00 0.00 175.55 175.19 2kwd s ASP 46 N 2.20 6.46 0.00 4.32 -1.08 0.74 -4.77 116.67 124.55 2kwd s ASP 46 Ca 0.04 0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.32 2kwd s ASP 46 Cb -0.12 -2.43 0.10 0.00 -1.46 0.00 0.00 42.92 39.01 2kwd s ASP 46 CO -0.04 -1.01 1.14 -0.67 0.52 0.00 0.00 175.17 175.11 2kwd n ASP 47 N 7.01 1.34 0.08 -0.34 -0.08 -1.26 0.64 116.55 123.94 2kwd n ASP 47 Ca 0.05 -1.09 -0.05 0.00 -1.51 0.00 0.00 54.79 52.19 2kwd n ASP 47 Cb 0.48 0.57 -0.06 0.00 2.34 0.00 0.00 41.12 44.45 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 3.45 0.47 0.00 -1.67 0.00 -1.95 -3.35 119.26 116.22 2kwd h ALA 48 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2kwd h ALA 48 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kwd h ALA 48 CO 0.00 1.08 0.00 0.25 0.00 0.00 0.00 179.25 180.58 2kwd n THR 49 N -3.37 0.14 -3.33 0.00 -2.24 -1.25 -5.03 114.28 99.21 2kwd n THR 49 Ca 0.00 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 2kwd n THR 49 Cb 0.87 1.32 0.08 0.00 -2.10 0.00 0.00 70.33 70.50 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 -0.07 -4.75 -3.79 -0.78 4.76 0.38 -4.87 118.16 109.04 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 0.25 -5.79 -0.17 0.00 -1.84 0.00 0.00 35.03 27.48 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 -3.37 0.04 0.16 -0.18 2.01 0.21 -1.19 115.64 113.32 2kwd s THR 51 Ca 0.18 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.46 2kwd s THR 51 Cb -0.02 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2kwd s THR 51 CO 0.72 0.15 0.13 -0.36 -0.69 0.00 0.00 174.62 174.57 2kwd s PHE 52 N 1.45 3.15 -0.13 4.92 0.40 0.30 0.26 117.98 128.34 2kwd s PHE 52 Ca -0.04 -0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2kwd s PHE 52 Cb -0.13 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 41.94 2kwd s PHE 52 CO -0.03 0.52 0.30 0.95 0.70 0.00 0.00 175.22 177.66 2kwd s THR 53 N -1.74 -0.08 -0.15 0.64 -4.23 -1.10 -0.68 115.64 108.31 2kwd s THR 53 Ca 0.31 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 2kwd s THR 53 Cb -0.10 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.26 2kwd s THR 53 CO 0.23 0.06 -0.10 0.54 -0.54 0.00 0.00 174.62 174.81 2kwd s VAL 54 N 1.42 3.19 -0.12 2.29 0.11 -1.21 -2.59 120.40 123.48 2kwd s VAL 54 Ca -0.08 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2kwd s VAL 54 Cb -0.10 -2.37 0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2kwd s VAL 54 CO -0.10 0.50 -0.16 0.28 -3.33 0.00 0.00 175.10 172.29 2kwd s THR 55 N 0.63 1.62 -0.87 5.04 -1.32 0.07 -3.20 115.64 117.60 2kwd s THR 55 Ca -0.06 -0.71 0.07 0.00 -1.21 0.00 0.00 61.69 59.79 2kwd s THR 55 Cb -0.15 -1.48 0.06 0.00 -1.51 0.00 0.00 72.50 69.42 2kwd s THR 55 CO 0.03 0.47 0.72 -1.84 -2.21 0.00 0.00 174.62 171.78