#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdm s THR 2 N 0.00 -0.10 0.06 4.28 2.01 -1.26 -1.53 115.64 119.09 2kdm s THR 2 Ca 0.00 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2kdm s THR 2 Cb 0.00 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 2kdm s THR 2 CO 0.00 -0.10 0.09 -0.31 -0.69 0.00 0.00 174.62 173.61 2kdm s TYR 3 N 2.15 3.24 0.07 4.92 1.51 -0.81 -4.59 117.35 123.84 2kdm s TYR 3 Ca 0.03 0.12 0.05 0.00 -1.01 0.00 0.00 57.07 56.27 2kdm s TYR 3 Cb -0.14 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2kdm s TYR 3 CO -0.07 0.53 -0.15 0.15 -1.11 0.00 0.00 175.55 174.91 2kdm s LYS 4 N -2.22 0.88 -0.05 -0.62 1.02 -1.00 -2.32 119.74 115.43 2kdm s LYS 4 Ca 0.28 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.35 2kdm s LYS 4 Cb -0.12 -0.92 0.02 0.00 -0.52 0.00 0.00 37.83 36.29 2kdm s LYS 4 CO 0.20 0.21 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.61 2kdm s LEU 5 N -1.62 1.41 -0.36 3.17 2.96 0.31 -0.77 118.68 123.78 2kdm s LEU 5 Ca -0.00 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2kdm s LEU 5 Cb -0.10 -0.55 0.02 0.00 0.50 0.00 0.00 46.19 46.06 2kdm s LEU 5 CO 0.02 -0.03 0.19 -0.63 -1.32 0.00 0.00 176.35 174.58 2kdm s ILE 6 N 0.86 4.55 -0.19 6.68 1.09 -0.34 -0.04 121.20 133.82 2kdm s ILE 6 Ca -0.12 -0.75 -0.14 0.00 -1.10 0.00 0.00 60.65 58.54 2kdm s ILE 6 Cb -0.15 -3.48 -0.04 0.00 -1.06 0.00 0.00 42.46 37.73 2kdm s ILE 6 CO 0.01 -0.15 0.32 -0.76 -0.10 0.00 0.00 174.94 174.26 2kdm s LEU 7 N 1.56 4.19 -0.31 2.97 1.43 0.24 -1.84 118.68 126.93 2kdm s LEU 7 Ca 0.03 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2kdm s LEU 7 Cb -0.19 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.73 2kdm s LEU 7 CO 0.06 0.02 0.06 0.21 0.23 0.00 0.00 176.35 176.94 2kdm s ASN 8 N 0.79 4.27 0.54 2.29 2.47 -0.97 -2.29 114.94 122.05 2kdm s ASN 8 Ca 0.17 -1.78 0.03 0.00 0.42 0.00 0.00 52.86 51.70 2kdm s ASN 8 Cb -0.14 -1.18 0.02 0.00 -1.45 0.00 0.00 41.25 38.50 2kdm s ASN 8 CO 0.06 -0.38 0.21 -1.48 -3.72 0.00 0.00 177.10 171.79 2kdm s LEU 9 N 1.33 2.45 -0.69 3.21 2.34 -1.26 -0.95 118.68 125.12 2kdm s LEU 9 Ca 0.09 -1.47 -0.07 0.00 0.06 0.00 0.00 54.13 52.73 2kdm s LEU 9 Cb -0.18 -0.93 -0.14 0.00 -0.56 0.00 0.00 46.19 44.38 2kdm s LEU 9 CO -0.17 -1.03 3.21 0.29 -1.06 0.00 0.00 176.35 177.60 2kdm n LYS 10 N -1.55 2.82 0.00 1.48 4.76 -1.26 -4.36 118.16 120.04 2kdm n LYS 10 Ca -0.11 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 2kdm n LYS 10 Cb 0.66 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 2kdm n LYS 10 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2kdm n GLN 11 N 2.59 0.00 -1.13 1.97 6.02 -1.26 -5.16 117.38 120.41 2kdm n GLN 11 Ca 0.57 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.71 2kdm n GLN 11 Cb 0.60 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.81 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kdm n ALA 12 N 0.00 -2.93 -2.66 -1.58 0.00 -1.26 -4.90 120.51 107.17 2kdm n ALA 12 Ca 0.00 0.52 -0.32 0.00 0.00 0.00 0.00 53.44 53.64 2kdm n ALA 12 Cb 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.19 2kdm n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kdm s LYS 13 N -2.82 2.61 -0.04 0.00 2.20 -1.26 -3.99 119.74 116.43 2kdm s LYS 13 Ca 0.00 -0.82 0.07 0.00 -0.36 0.00 0.00 55.97 54.86 2kdm s LYS 13 Cb 0.00 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 34.03 2kdm s LYS 13 CO 0.00 0.44 -0.25 -1.21 -0.36 0.00 0.00 175.35 173.98 2kdm s GLU 14 N -0.30 2.36 -0.16 4.03 0.41 -0.97 -5.03 118.70 119.05 2kdm s GLU 14 Ca 0.01 -0.89 -0.02 0.00 -0.41 0.00 0.00 54.97 53.65 2kdm s GLU 14 Cb -0.13 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.12 2kdm s GLU 14 CO 0.03 0.43 -0.08 -1.21 -0.49 0.00 0.00 175.26 173.94 2kdm s GLU 15 N -0.29 3.48 -0.13 1.61 2.02 -1.26 -0.59 118.70 123.53 2kdm s GLU 15 Ca 0.01 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2kdm s GLU 15 Cb -0.12 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 2kdm s GLU 15 CO 0.02 0.12 -0.05 0.00 0.02 0.00 0.00 175.26 175.37 2kdm s ALA 16 N 0.65 2.98 0.03 5.21 0.00 0.95 -4.98 121.76 126.59 2kdm s ALA 16 Ca -0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kdm s ALA 16 Cb -0.15 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2kdm s ALA 16 CO 0.02 0.30 -0.03 0.96 0.00 0.00 0.00 175.76 177.02 2kdm s ILE 17 N 0.08 0.13 -0.23 0.00 -0.00 -1.26 0.11 121.20 120.04 2kdm s ILE 17 Ca -0.01 -1.10 -0.27 0.00 -0.00 0.00 0.00 60.65 59.27 2kdm s ILE 17 Cb -0.14 -0.54 0.13 0.00 -0.00 0.00 0.00 42.46 41.91 2kdm s ILE 17 CO 0.03 -0.61 1.04 -0.75 -0.00 0.00 0.00 174.94 174.65 2kdm s LYS 18 N -2.00 0.52 -0.25 0.37 2.20 -0.98 -5.03 119.74 114.56 2kdm s LYS 18 Ca -0.11 0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.74 2kdm s LYS 18 Cb -0.06 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 2kdm s LYS 18 CO -0.03 -0.11 0.31 -1.21 -0.36 0.00 0.00 175.35 173.96 2kdm s GLU 19 N -0.36 4.05 0.01 4.03 2.02 -1.26 -1.92 118.70 125.27 2kdm s GLU 19 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2kdm s GLU 19 Cb -0.03 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 2kdm s GLU 19 CO -0.03 -0.15 -0.01 0.00 0.02 0.00 0.00 175.26 175.08 2kdm s ALA 20 N 1.69 0.05 0.15 5.21 0.00 -0.58 -4.98 121.76 123.29 2kdm s ALA 20 Ca 0.13 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2kdm s ALA 20 Cb -0.15 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2kdm s ALA 20 CO 0.09 -0.04 1.80 -0.39 0.00 0.00 0.00 175.76 177.22 2kdm h VAL 21 N 5.00 1.08 -3.74 0.00 -1.51 -1.98 -2.57 116.25 112.53 2kdm h VAL 21 Ca -0.26 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 2kdm h VAL 21 Cb 1.21 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2kdm h VAL 21 CO 0.48 0.09 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 2kdm n ASP 22 N -4.85 1.27 -0.10 4.19 5.75 -1.26 -3.92 116.55 117.62 2kdm n ASP 22 Ca -0.00 -0.74 -0.12 0.00 -0.01 0.00 0.00 54.79 53.92 2kdm n ASP 22 Cb 0.03 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.99 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kdm n ALA 23 N -3.00 1.52 -0.33 2.12 0.00 -1.26 -4.22 120.51 115.35 2kdm n ALA 23 Ca 0.00 -1.12 0.29 0.00 0.00 0.00 0.00 53.44 52.61 2kdm n ALA 23 Cb 0.00 -0.10 0.63 0.00 0.00 0.00 0.00 19.45 19.98 2kdm n ALA 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kdm h GLY 24 N 2.81 0.65 1.91 0.00 0.00 -1.99 1.00 103.07 107.45 2kdm h GLY 24 Ca -0.51 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 46.53 2kdm h GLY 24 CO -0.02 -0.09 -0.93 -0.84 0.00 0.00 0.00 176.54 174.66 2kdm h THR 25 N 0.19 1.42 0.05 4.70 2.02 -1.99 -2.65 112.91 116.65 2kdm h THR 25 Ca 0.59 -3.04 -0.24 0.00 0.77 0.00 0.00 66.41 64.49 2kdm h THR 25 Cb 1.92 2.69 0.02 0.00 -1.74 0.00 0.00 68.15 71.04 2kdm h THR 25 CO -0.17 0.81 -0.97 0.00 0.37 0.00 0.00 175.52 175.56 2kdm h ALA 26 N 1.14 0.05 0.67 6.16 0.00 0.57 -2.20 119.26 125.64 2kdm h ALA 26 Ca -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2kdm h ALA 26 Cb 1.68 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.55 2kdm h ALA 26 CO 0.11 0.57 -0.32 1.49 0.00 0.00 0.00 179.25 181.10 2kdm h GLU 27 N 0.16 -0.86 -0.85 0.00 4.81 -0.16 0.35 114.58 118.01 2kdm h GLU 27 Ca -0.14 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2kdm h GLU 27 Cb 1.66 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 31.17 2kdm h GLU 27 CO 0.19 -0.56 0.55 0.87 -0.73 0.00 0.00 179.01 179.33 2kdm h LYS 28 N -1.22 0.73 -0.01 1.92 1.57 -1.62 0.54 116.57 118.49 2kdm h LYS 28 Ca -0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2kdm h LYS 28 Cb 0.70 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2kdm h LYS 28 CO 0.15 0.48 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.55 2kdm h TYR 29 N 0.75 0.07 -0.58 -1.35 5.03 -1.37 -2.59 116.97 116.93 2kdm h TYR 29 Ca 0.41 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.68 2kdm h TYR 29 Cb 0.54 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 2kdm h TYR 29 CO -0.00 0.69 0.34 0.74 -1.32 0.00 0.00 178.16 178.60 2kdm h PHE 30 N -0.57 0.77 -0.63 -3.82 0.04 0.22 -1.88 116.94 111.08 2kdm h PHE 30 Ca -0.00 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2kdm h PHE 30 Cb 0.69 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 2kdm h PHE 30 CO 0.15 0.54 0.41 -0.22 -0.60 0.00 0.00 178.31 178.59 2kdm h LYS 31 N 0.78 0.62 -0.59 1.51 3.11 0.02 0.37 116.57 122.39 2kdm h LYS 31 Ca 0.21 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.90 2kdm h LYS 31 Cb 0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 2kdm h LYS 31 CO -0.04 0.41 -0.04 -0.07 -2.81 0.00 0.00 179.45 176.90 2kdm h LEU 32 N 0.64 1.05 0.08 5.20 3.38 -0.93 -0.21 115.31 124.51 2kdm h LEU 32 Ca 0.27 -0.32 -0.28 0.00 0.09 0.00 0.00 57.88 57.64 2kdm h LEU 32 Cb 0.24 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 40.72 2kdm h LEU 32 CO -0.08 1.12 -1.22 -0.29 0.09 0.00 0.00 178.44 178.06 2kdm h ILE 33 N 0.96 1.38 0.49 1.22 6.09 -0.92 -2.67 117.51 124.05 2kdm h ILE 33 Ca 0.16 -2.69 -0.02 0.00 -1.37 0.00 0.00 64.86 60.94 2kdm h ILE 33 Cb 0.61 2.77 0.00 0.00 0.47 0.00 0.00 36.82 40.67 2kdm h ILE 33 CO 0.04 0.80 -0.23 0.00 -3.07 0.00 0.00 178.15 175.69 2kdm h ALA 34 N 0.46 -0.93 -0.41 0.18 0.00 -0.23 0.11 119.26 118.43 2kdm h ALA 34 Ca -0.16 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.73 2kdm h ALA 34 Cb 1.90 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 2kdm h ALA 34 CO 0.22 -0.88 0.34 -0.91 0.00 0.00 0.00 179.25 178.01 2kdm h ASN 35 N -0.81 0.00 -0.01 0.00 -0.26 -1.19 0.41 115.58 113.72 2kdm h ASN 35 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2kdm h ASN 35 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 2kdm h ASN 35 CO 0.11 0.00 -0.01 0.00 -1.06 0.00 0.00 177.43 176.47 2kdm n ALA 36 N -2.52 2.57 -0.10 -0.83 0.00 -1.01 -3.19 120.51 115.43 2kdm n ALA 36 Ca 0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 2kdm n ALA 36 Cb 0.53 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 2kdm n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kdm n LYS 37 N 0.40 0.72 0.00 0.00 4.76 0.14 -4.92 118.16 119.26 2kdm n LYS 37 Ca 0.18 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2kdm n LYS 37 Cb 0.41 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2kdm n LYS 37 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2kdm n THR 38 N -2.98 0.00 -2.10 -0.18 -2.24 -0.63 -5.05 114.28 101.11 2kdm n THR 38 Ca -0.34 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 2kdm n THR 38 Cb 0.92 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2kdm n THR 38 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kdm n VAL 39 N -1.71 -0.08 -3.64 2.28 0.31 -1.19 -5.03 118.33 109.27 2kdm n VAL 39 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2kdm n VAL 39 Cb 0.00 -0.79 -0.05 0.00 -0.91 0.00 0.00 33.84 32.09 2kdm n VAL 39 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kdm s GLU 40 N -4.20 0.16 0.00 5.55 2.56 -1.26 -5.04 118.70 116.47 2kdm s GLU 40 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.07 2kdm s GLU 40 Cb -0.00 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.21 2kdm s GLU 40 CO 0.01 -0.04 0.00 0.41 -0.56 0.00 0.00 175.26 175.08 2kdm n GLY 41 N 1.01 -0.11 3.27 -1.50 0.00 -1.26 -4.30 105.19 102.31 2kdm n GLY 41 Ca -0.06 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 2kdm n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kdm s VAL 42 N -1.88 4.10 0.14 1.61 1.01 0.37 -4.70 120.40 121.05 2kdm s VAL 42 Ca 0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 61.98 60.36 2kdm s VAL 42 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2kdm s VAL 42 CO 0.00 -0.41 1.56 0.26 0.00 0.00 0.00 175.10 176.51 2kdm s TRP 43 N 1.42 2.98 0.04 5.22 0.52 -1.25 -2.59 118.94 125.28 2kdm s TRP 43 Ca 0.02 0.62 -0.16 0.00 0.02 0.00 0.00 56.10 56.60 2kdm s TRP 43 Cb -0.22 -3.90 0.03 0.00 -1.15 0.00 0.00 33.47 28.23 2kdm s TRP 43 CO 0.02 -3.35 0.35 0.95 0.02 0.00 0.00 176.95 174.95 2kdm s THR 44 N 1.39 0.07 -0.01 2.01 -4.23 0.16 -4.95 115.64 110.08 2kdm s THR 44 Ca 0.70 -0.56 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 2kdm s THR 44 Cb -0.42 -0.91 -0.00 0.00 1.34 0.00 0.00 72.50 72.51 2kdm s THR 44 CO 0.31 -0.31 0.10 -0.47 -0.54 0.00 0.00 174.62 173.71 2kdm s TYR 45 N -2.37 0.04 -0.05 3.99 6.14 -1.26 0.15 117.35 123.99 2kdm s TYR 45 Ca -0.06 -0.08 0.07 0.00 0.64 0.00 0.00 57.07 57.63 2kdm s TYR 45 Cb -0.01 -0.05 -0.01 0.00 0.42 0.00 0.00 41.96 42.30 2kdm s TYR 45 CO -0.02 -0.20 -0.25 0.21 0.64 0.00 0.00 175.55 175.94 2kdm s LYS 46 N -0.95 2.42 -0.19 4.97 2.20 0.13 -4.97 119.74 123.35 2kdm s LYS 46 Ca -0.10 -0.90 -0.22 0.00 -0.36 0.00 0.00 55.97 54.38 2kdm s LYS 46 Cb -0.06 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.10 2kdm s LYS 46 CO 0.01 0.44 0.69 0.34 -0.36 0.00 0.00 175.35 176.47 2kdm s ASP 47 N -0.32 6.76 0.00 1.43 -1.08 -1.26 -2.80 116.67 119.41 2kdm s ASP 47 Ca 0.01 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.97 2kdm s ASP 47 Cb -0.12 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2kdm s ASP 47 CO 0.02 -0.31 0.00 1.21 0.52 0.00 0.00 175.17 176.61 2kdm n GLU 48 N 5.11 0.00 -0.42 4.34 2.13 -1.26 -4.92 120.64 125.62 2kdm n GLU 48 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 2kdm n GLU 48 Cb 0.49 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.30 2kdm n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2kdm n ILE 49 N 0.00 1.13 -2.81 6.31 5.41 -1.26 -5.04 119.36 123.09 2kdm n ILE 49 Ca 0.00 -1.53 -0.05 0.00 1.00 0.00 0.00 62.75 62.17 2kdm n ILE 49 Cb 0.00 0.12 0.01 0.00 -0.71 0.00 0.00 39.64 39.06 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kdm n LYS 50 N -0.74 -2.83 -4.21 0.38 4.76 -1.26 -4.49 118.16 109.78 2kdm n LYS 50 Ca 0.10 2.39 -0.16 0.00 -2.87 0.00 0.00 58.31 57.77 2kdm n LYS 50 Cb 0.72 -5.43 -0.13 0.00 -1.84 0.00 0.00 35.03 28.34 2kdm n LYS 50 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2kdm s THR 51 N -2.15 0.63 0.16 -0.18 -1.32 -1.12 -2.38 115.64 109.28 2kdm s THR 51 Ca 0.14 -0.64 0.06 0.00 -1.21 0.00 0.00 61.69 60.04 2kdm s THR 51 Cb -0.04 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2kdm s THR 51 CO 0.77 -0.03 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.67 2kdm s PHE 52 N -0.63 1.43 -0.01 9.09 0.40 0.05 0.17 117.98 128.48 2kdm s PHE 52 Ca -0.01 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.57 2kdm s PHE 52 Cb -0.06 -0.71 0.01 0.00 0.51 0.00 0.00 43.02 42.77 2kdm s PHE 52 CO 0.00 0.18 0.20 0.99 0.70 0.00 0.00 175.22 177.29 2kdm s THR 53 N -2.89 0.07 -0.25 0.64 2.01 0.39 -1.20 115.64 114.41 2kdm s THR 53 Ca 0.16 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 2kdm s THR 53 Cb -0.00 -0.49 0.08 0.00 0.01 0.00 0.00 72.50 72.09 2kdm s THR 53 CO 0.03 -0.32 0.08 0.54 -0.69 0.00 0.00 174.62 174.26 2kdm s VAL 54 N -1.30 0.43 -0.22 3.82 0.11 -0.76 0.38 120.40 122.85 2kdm s VAL 54 Ca -0.14 -0.84 -0.09 0.00 -2.93 0.00 0.00 61.98 57.98 2kdm s VAL 54 Cb -0.06 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2kdm s VAL 54 CO 0.02 -0.50 0.12 -0.89 -3.33 0.00 0.00 175.10 170.52 2kdm s THR 55 N 1.87 5.03 -2.42 5.04 2.01 -1.07 -2.29 115.64 123.82 2kdm s THR 55 Ca 0.05 0.06 0.19 0.00 0.31 0.00 0.00 61.69 62.31 2kdm s THR 55 Cb -0.17 -3.33 0.15 0.00 0.01 0.00 0.00 72.50 69.17 2kdm s THR 55 CO -0.21 0.38 1.11 1.21 -0.69 0.00 0.00 174.62 176.42