#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 1.49 -0.05 3.17 -0.21 -1.26 -0.68 119.66 122.12 2kwd s GLN 2 Ca 0.00 -0.70 0.04 0.00 0.02 0.00 0.00 55.36 54.72 2kwd s GLN 2 Cb 0.00 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.53 2kwd s GLN 2 CO 0.00 0.40 -0.16 0.71 -2.12 0.00 0.00 175.29 174.12 2kwd s TYR 3 N -0.48 2.66 -0.11 0.91 2.02 -0.56 -4.75 117.35 117.03 2kwd s TYR 3 Ca 0.07 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2kwd s TYR 3 Cb -0.07 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2kwd s TYR 3 CO -0.00 0.14 -0.23 0.21 -1.57 0.00 0.00 175.55 174.10 2kwd s LYS 4 N -0.67 3.04 -0.15 -0.62 2.20 0.07 -2.02 119.74 121.60 2kwd s LYS 4 Ca 0.10 -0.87 -0.04 0.00 -0.36 0.00 0.00 55.97 54.80 2kwd s LYS 4 Cb -0.11 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 2kwd s LYS 4 CO 0.01 0.12 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.92 2kwd s LEU 5 N 0.50 3.34 -0.16 5.43 1.98 0.55 0.13 118.68 130.45 2kwd s LEU 5 Ca -0.15 -0.08 -0.11 0.00 -2.89 0.00 0.00 54.13 50.90 2kwd s LEU 5 Cb -0.17 -1.80 -0.05 0.00 0.66 0.00 0.00 46.19 44.83 2kwd s LEU 5 CO 0.05 0.19 0.21 -0.63 -1.89 0.00 0.00 176.35 174.29 2kwd s ILE 6 N 0.22 5.36 -0.31 6.68 -1.09 0.40 0.45 121.20 132.92 2kwd s ILE 6 Ca -0.01 0.37 -0.20 0.00 -2.23 0.00 0.00 60.65 58.57 2kwd s ILE 6 Cb -0.14 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2kwd s ILE 6 CO 0.02 0.46 0.62 -0.76 -1.23 0.00 0.00 174.94 174.06 2kwd s LEU 7 N 0.08 4.15 -0.43 2.97 1.02 -0.88 -3.23 118.68 122.36 2kwd s LEU 7 Ca 0.13 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.72 2kwd s LEU 7 Cb -0.12 -2.81 0.15 0.00 0.02 0.00 0.00 46.19 43.43 2kwd s LEU 7 CO 0.02 -0.48 0.28 0.54 0.02 0.00 0.00 176.35 176.74 2kwd s ASN 8 N 1.64 2.92 0.00 2.29 4.22 -1.17 -3.52 114.94 121.32 2kwd s ASN 8 Ca 0.25 -2.72 0.00 0.00 -2.14 0.00 0.00 52.86 48.25 2kwd s ASN 8 Cb -0.15 -0.72 0.00 0.00 1.28 0.00 0.00 41.25 41.66 2kwd s ASN 8 CO 0.12 -0.24 0.00 0.61 -2.04 0.00 0.00 177.10 175.55 2kwd n GLY 9 N 3.37 7.48 0.30 0.45 0.00 -0.60 -3.67 105.19 112.52 2kwd n GLY 9 Ca 0.17 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.68 0.00 1.61 1.57 -1.89 -3.38 116.57 113.80 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 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kwd h LYS 10 CO 0.00 -0.43 0.00 2.41 -0.57 0.00 0.00 179.45 180.86 2kwd n THR 11 N -5.37 0.00 -2.78 -0.16 -1.04 -1.26 -5.00 114.28 98.67 2kwd n THR 11 Ca -0.12 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.05 61.24 2kwd n THR 11 Cb 0.31 1.43 -0.04 0.00 -1.82 0.00 0.00 70.33 70.22 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 -0.19 3.95 -0.08 -4.42 1.43 -1.26 -4.99 118.68 113.13 2kwd s LEU 12 Ca 0.00 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 2kwd s LEU 12 Cb 0.00 -3.28 0.04 0.00 0.03 0.00 0.00 46.19 42.98 2kwd s LEU 12 CO 0.00 -0.97 0.18 -0.54 0.23 0.00 0.00 176.35 175.25 2kwd s LYS 13 N 3.69 0.13 0.00 1.70 3.01 -1.26 -1.55 119.74 125.46 2kwd s LYS 13 Ca 0.39 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.76 2kwd s LYS 13 Cb -0.11 -0.15 0.00 0.00 -1.01 0.00 0.00 37.83 36.57 2kwd s LYS 13 CO 0.23 -0.16 0.00 0.41 0.51 0.00 0.00 175.35 176.34 2kwd n GLY 14 N 4.14 -0.65 3.37 -3.33 0.00 -1.23 -4.98 105.19 102.52 2kwd n GLY 14 Ca -0.25 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.00 1.41 -0.06 1.61 0.41 -1.26 -2.07 118.70 117.73 2kwd s GLU 15 Ca 0.00 -1.65 -0.05 0.00 -0.41 0.00 0.00 54.97 52.87 2kwd s GLU 15 Cb 0.00 -1.18 0.02 0.00 -1.78 0.00 0.00 34.13 31.19 2kwd s GLU 15 CO 0.00 0.16 0.15 0.95 -0.49 0.00 0.00 175.26 176.03 2kwd s THR 16 N -2.95 -0.01 0.06 3.63 -4.23 0.17 -4.92 115.64 107.40 2kwd s THR 16 Ca 0.25 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.71 2kwd s THR 16 Cb -0.00 -0.22 -0.00 0.00 1.34 0.00 0.00 72.50 73.62 2kwd s THR 16 CO 0.09 0.01 0.17 -0.89 -0.54 0.00 0.00 174.62 173.46 2kwd s THR 17 N 0.28 0.13 0.04 3.99 2.01 -1.26 0.20 115.64 121.04 2kwd s THR 17 Ca -0.02 -1.08 -0.22 0.00 0.31 0.00 0.00 61.69 60.69 2kwd s THR 17 Cb -0.03 -1.10 0.05 0.00 0.01 0.00 0.00 72.50 71.43 2kwd s THR 17 CO -0.01 -0.59 0.50 0.28 -0.69 0.00 0.00 174.62 174.10 2kwd s THR 18 N -3.14 0.03 -0.29 -0.82 -1.32 -0.85 -5.01 115.64 104.24 2kwd s THR 18 Ca -0.01 -0.28 -0.10 0.00 -1.21 0.00 0.00 61.69 60.09 2kwd s THR 18 Cb 0.02 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 2kwd s THR 18 CO -0.07 -0.16 0.16 -0.70 -2.21 0.00 0.00 174.62 171.64 2kwd s GLU 19 N -2.32 3.62 0.10 7.08 2.56 -1.26 -1.50 118.70 126.98 2kwd s GLU 19 Ca -0.06 -0.53 -0.15 0.00 0.00 0.00 0.00 54.97 54.23 2kwd s GLU 19 Cb -0.01 -3.57 0.03 0.00 2.00 0.00 0.00 34.13 32.58 2kwd s GLU 19 CO -0.01 -0.29 0.37 0.00 -0.56 0.00 0.00 175.26 174.77 2kwd s ALA 20 N 1.67 -0.85 0.06 6.30 0.00 0.14 -4.93 121.76 124.15 2kwd s ALA 20 Ca 0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 2kwd s ALA 20 Cb -0.16 0.60 -0.15 0.00 0.00 0.00 0.00 23.12 23.41 2kwd s ALA 20 CO 0.08 -0.59 1.30 -0.24 0.00 0.00 0.00 175.76 176.31 2kwd h VAL 21 N 2.55 1.35 -3.30 0.00 3.04 -1.98 -2.78 116.25 115.13 2kwd h VAL 21 Ca -0.33 -1.62 -0.65 0.00 -1.01 0.00 0.00 66.70 63.09 2kwd h VAL 21 Cb 1.24 1.97 -0.15 0.00 -2.01 0.00 0.00 31.29 32.34 2kwd h VAL 21 CO 0.47 0.49 -0.74 -0.62 -1.01 0.00 0.00 177.57 176.17 2kwd s ASP 22 N -6.52 4.23 0.08 3.17 2.15 -1.26 -4.77 116.67 113.75 2kwd s ASP 22 Ca -0.13 -0.52 -0.14 0.00 0.43 0.00 0.00 52.55 52.19 2kwd s ASP 22 Cb 0.06 -0.72 -0.17 0.00 -0.30 0.00 0.00 42.92 41.78 2kwd s ASP 22 CO 0.81 0.14 1.26 0.00 -0.17 0.00 0.00 175.17 177.21 2kwd h ALA 23 N 3.26 0.25 -0.81 3.66 0.00 -1.99 -2.74 119.26 120.89 2kwd h ALA 23 Ca -0.48 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 2kwd h ALA 23 Cb 1.19 -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 0.00 179.25 180.81 2kwd h ALA 24 N 0.50 1.25 -0.33 0.00 0.00 -1.99 0.88 119.26 119.58 2kwd h ALA 24 Ca -0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2kwd h ALA 24 Cb 1.37 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kwd h ALA 24 CO 0.15 0.61 -0.25 0.00 0.00 0.00 0.00 179.25 179.76 2kwd h THR 25 N 1.14 1.27 -0.21 0.00 1.03 -1.97 -2.93 112.91 111.24 2kwd h THR 25 Ca 0.29 -1.34 -0.15 0.00 -0.01 0.00 0.00 66.41 65.20 2kwd h THR 25 Cb 0.03 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.39 2kwd h THR 25 CO -0.05 0.44 -0.47 0.00 -0.01 0.00 0.00 175.52 175.43 2kwd h ALA 26 N 1.16 0.78 -0.09 0.00 0.00 -1.11 -3.05 119.26 116.94 2kwd h ALA 26 Ca 0.08 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2kwd h ALA 26 Cb 0.73 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kwd h ALA 26 CO 0.06 0.67 0.07 1.05 0.00 0.00 0.00 179.25 181.09 2kwd h GLU 27 N 0.45 0.00 -0.77 0.00 4.11 -0.65 -2.10 114.58 115.62 2kwd h GLU 27 Ca 0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.57 2kwd h GLU 27 Cb 0.99 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 2kwd h GLU 27 CO 0.09 0.00 0.37 0.87 0.07 0.00 0.00 179.01 180.41 2kwd h LYS 28 N 0.00 0.57 0.10 1.06 1.57 -1.47 0.82 116.57 119.22 2kwd h LYS 28 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2kwd h LYS 28 Cb 0.18 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2kwd h LYS 28 CO -0.00 0.38 -0.05 0.28 -0.57 0.00 0.00 179.45 179.49 2kwd h VAL 29 N 0.59 1.12 -0.53 0.50 2.07 -1.57 -2.35 116.25 116.07 2kwd h VAL 29 Ca 0.40 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2kwd h VAL 29 Cb 0.50 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2kwd h VAL 29 CO -0.32 0.26 0.29 -0.26 0.02 0.00 0.00 177.57 177.56 2kwd h PHE 30 N -0.68 0.73 -0.19 1.57 0.04 -1.29 1.18 116.94 118.30 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 38.44 2kwd h PHE 30 CO 0.09 0.53 -0.62 0.87 -0.60 0.00 0.00 178.31 178.58 2kwd h LYS 31 N 0.71 0.68 -0.05 1.51 1.57 0.53 0.03 116.57 121.54 2kwd h LYS 31 Ca 0.19 -0.47 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 2kwd h LYS 31 Cb 0.04 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kwd h LYS 31 CO -0.03 1.09 -0.72 0.37 -0.57 0.00 0.00 179.45 179.59 2kwd h GLN 32 N 0.50 0.29 -0.47 3.15 4.15 -1.27 -3.15 115.11 118.30 2kwd h GLN 32 Ca -0.01 -0.24 -0.09 0.00 0.77 0.00 0.00 58.65 59.08 2kwd h GLN 32 Cb 1.21 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 2kwd h GLN 32 CO 0.12 0.89 -0.05 -0.92 -1.93 0.00 0.00 178.83 176.94 2kwd h TYR 33 N 0.19 0.96 -0.64 3.99 3.20 0.16 -2.03 116.97 122.81 2kwd h TYR 33 Ca -0.03 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.67 2kwd h TYR 33 Cb 1.29 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 2kwd h TYR 33 CO 0.03 0.93 0.42 0.00 -1.64 0.00 0.00 178.16 177.90 2kwd h ALA 34 N 0.90 1.56 -0.06 1.82 0.00 -0.96 0.41 119.26 122.93 2kwd h ALA 34 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kwd h ALA 34 Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kwd h ALA 34 CO 0.03 0.40 -0.15 -0.97 0.00 0.00 0.00 179.25 178.56 2kwd h ASN 35 N 0.85 0.24 0.50 0.00 -1.24 -1.48 0.15 115.58 114.60 2kwd h ASN 35 Ca 0.24 -0.59 -0.05 0.00 0.71 0.00 0.00 56.30 56.60 2kwd h ASN 35 Cb -0.07 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2kwd h ASN 35 CO -0.05 0.79 -0.24 0.44 -1.29 0.00 0.00 177.43 177.07 2kwd h ASP 36 N -0.30 0.00 0.87 1.15 3.32 -0.94 -3.13 116.42 117.39 2kwd h ASP 36 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2kwd h ASP 36 Cb 0.76 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2kwd h ASP 36 CO 0.03 0.24 -1.21 -0.55 -1.72 0.00 0.00 179.24 176.03 2kwd h ASN 37 N 0.00 0.00 0.00 6.45 7.08 -0.23 -3.49 115.58 125.39 2kwd h ASN 37 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2kwd h ASN 37 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2kwd h ASN 37 CO 0.03 0.52 0.00 0.61 -2.08 0.00 0.00 177.43 176.51 2kwd n GLY 38 N 1.35 0.87 3.06 9.14 0.00 -0.99 -5.08 105.19 113.54 2kwd n GLY 38 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.03 2.18 -0.22 1.61 0.11 0.50 -4.86 120.40 118.69 2kwd s VAL 39 Ca 0.00 -1.71 -0.00 0.00 -2.93 0.00 0.00 61.98 57.34 2kwd s VAL 39 Cb 0.00 -2.32 0.06 0.00 -1.53 0.00 0.00 36.38 32.59 2kwd s VAL 39 CO 0.00 -0.09 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.03 2kwd s ASP 40 N 1.08 3.60 0.00 3.54 2.15 -1.25 -3.90 116.67 121.89 2kwd s ASP 40 Ca -0.07 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 51.83 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 -0.05 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 2kwd n GLY 41 N 4.77 5.06 3.80 2.66 0.00 -1.26 -4.65 105.19 115.57 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 1.76 3.61 0.01 1.61 0.41 0.29 -4.64 118.70 121.74 2kwd s GLU 42 Ca 0.00 1.34 0.05 0.00 -0.41 0.00 0.00 54.97 55.95 2kwd s GLU 42 Cb 0.00 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.27 2kwd s GLU 42 CO 0.00 -0.59 -0.15 -1.58 -0.49 0.00 0.00 175.26 172.45 2kwd s TRP 43 N -2.10 1.36 0.18 1.61 0.52 -1.26 -0.89 118.94 118.36 2kwd s TRP 43 Ca 0.67 -0.29 0.07 0.00 0.02 0.00 0.00 56.10 56.56 2kwd s TRP 43 Cb -0.17 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 2kwd s TRP 43 CO 0.26 0.01 -0.13 -0.08 0.02 0.00 0.00 176.95 177.02 2kwd s THR 44 N -0.54 1.52 -0.09 2.01 -1.32 -1.11 -5.03 115.64 111.07 2kwd s THR 44 Ca 0.05 -2.10 -0.03 0.00 -1.21 0.00 0.00 61.69 58.40 2kwd s THR 44 Cb -0.07 -1.91 0.05 0.00 -1.51 0.00 0.00 72.50 69.06 2kwd s THR 44 CO 0.00 -0.61 0.13 -0.47 -2.21 0.00 0.00 174.62 171.46 2kwd s TYR 45 N -2.95 -0.09 -0.45 9.09 5.04 -1.26 -2.96 117.35 123.77 2kwd s TYR 45 Ca 0.19 0.40 -0.24 0.00 -2.44 0.00 0.00 57.07 54.97 2kwd s TYR 45 Cb -0.00 -0.37 0.03 0.00 0.35 0.00 0.00 41.96 41.96 2kwd s TYR 45 CO 0.04 -0.30 0.86 0.34 -1.34 0.00 0.00 175.55 175.15 2kwd s ASP 46 N 2.25 6.46 0.00 4.32 -1.08 0.65 -4.78 116.67 124.49 2kwd s ASP 46 Ca 0.04 0.01 0.23 0.00 -0.52 0.00 0.00 52.55 52.31 2kwd s ASP 46 Cb -0.13 -2.42 0.08 0.00 -1.46 0.00 0.00 42.92 38.99 2kwd s ASP 46 CO -0.06 -0.98 1.13 -0.67 0.52 0.00 0.00 175.17 175.11 2kwd n ASP 47 N 6.94 1.54 0.09 -0.34 -0.08 -1.26 0.83 116.55 124.26 2kwd n ASP 47 Ca 0.04 -1.22 -0.04 0.00 -1.51 0.00 0.00 54.79 52.06 2kwd n ASP 47 Cb 0.48 0.55 -0.05 0.00 2.34 0.00 0.00 41.12 44.43 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 3.58 0.48 0.00 -1.67 0.00 -1.95 -3.34 119.26 116.36 2kwd h ALA 48 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2kwd h ALA 48 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kwd h ALA 48 CO 0.00 1.07 0.00 0.25 0.00 0.00 0.00 179.25 180.57 2kwd n THR 49 N -3.37 0.19 -3.38 0.00 -2.24 -1.25 -5.03 114.28 99.20 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 0.86 1.22 0.09 0.00 -2.10 0.00 0.00 70.33 70.40 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 -5.90 -3.95 -0.78 4.76 0.29 -4.85 118.16 107.64 2kwd n LYS 50 Ca 0.00 0.84 -0.20 0.00 -2.87 0.00 0.00 58.31 56.08 2kwd n LYS 50 Cb 0.26 -5.81 -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 -3.36 0.33 0.19 -0.18 2.01 0.24 -0.75 115.64 114.13 2kwd s THR 51 Ca 0.07 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2kwd s THR 51 Cb -0.01 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2kwd s THR 51 CO 0.72 0.20 0.15 -0.36 -0.69 0.00 0.00 174.62 174.64 2kwd s PHE 52 N 1.31 3.12 -0.14 4.92 0.40 0.35 0.24 117.98 128.18 2kwd s PHE 52 Ca -0.05 -0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 2kwd s PHE 52 Cb -0.13 -1.47 0.06 0.00 0.51 0.00 0.00 43.02 41.98 2kwd s PHE 52 CO -0.02 0.52 0.32 0.95 0.70 0.00 0.00 175.22 177.69 2kwd s THR 53 N -1.86 -0.10 -0.15 0.64 -4.23 -1.16 -0.45 115.64 108.33 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 -0.09 -0.49 -0.01 0.00 1.34 0.00 0.00 72.50 73.24 2kwd s THR 53 CO 0.24 0.06 -0.11 0.54 -0.54 0.00 0.00 174.62 174.80 2kwd s VAL 54 N 1.49 3.13 -0.12 2.29 0.11 -1.20 -2.76 120.40 123.33 2kwd s VAL 54 Ca -0.08 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2kwd s VAL 54 Cb -0.10 -2.33 0.01 0.00 -1.53 0.00 0.00 36.38 32.43 2kwd s VAL 54 CO -0.10 0.51 -0.16 0.28 -3.33 0.00 0.00 175.10 172.29 2kwd s THR 55 N 0.54 1.60 -0.91 5.04 -1.32 -0.07 -3.03 115.64 117.50 2kwd s THR 55 Ca -0.08 -0.70 0.07 0.00 -1.21 0.00 0.00 61.69 59.78 2kwd s THR 55 Cb -0.15 -1.46 0.06 0.00 -1.51 0.00 0.00 72.50 69.43 2kwd s THR 55 CO 0.04 0.46 0.73 -1.84 -2.21 0.00 0.00 174.62 171.80