#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 5.14 0.04 12.58 -4.23 -1.26 -1.59 115.64 126.32 2kdm s THR 2 Ca 0.00 -0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2kdm s THR 2 Cb 0.00 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 2kdm s THR 2 CO 0.00 -0.26 0.18 -0.31 -0.54 0.00 0.00 174.62 173.69 2kdm s TYR 3 N 2.03 3.48 0.04 3.99 1.51 -0.96 -4.62 117.35 122.82 2kdm s TYR 3 Ca 0.11 0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 2kdm s TYR 3 Cb -0.17 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2kdm s TYR 3 CO 0.12 0.60 -0.06 0.15 -1.11 0.00 0.00 175.55 175.25 2kdm s LYS 4 N -2.29 0.47 -0.13 -0.62 1.02 -1.03 -2.22 119.74 114.93 2kdm s LYS 4 Ca 0.32 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 2kdm s LYS 4 Cb -0.13 -0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.06 2kdm s LYS 4 CO 0.24 0.01 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.45 2kdm s LEU 5 N -1.61 1.32 -0.48 3.17 2.96 0.24 0.75 118.68 125.03 2kdm s LEU 5 Ca -0.11 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.16 2kdm s LEU 5 Cb -0.09 -0.85 0.04 0.00 0.50 0.00 0.00 46.19 45.79 2kdm s LEU 5 CO -0.00 -0.15 0.64 -0.63 -1.32 0.00 0.00 176.35 174.89 2kdm s ILE 6 N 1.69 4.83 -0.18 6.68 -1.09 0.14 -0.73 121.20 132.54 2kdm s ILE 6 Ca 0.03 -0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.08 2kdm s ILE 6 Cb -0.14 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 2kdm s ILE 6 CO -0.08 -0.73 0.50 -0.76 -1.23 0.00 0.00 174.94 172.64 2kdm s LEU 7 N 2.78 4.18 -0.31 2.97 1.43 -0.19 -0.90 118.68 128.64 2kdm s LEU 7 Ca 0.19 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2kdm s LEU 7 Cb -0.17 -2.69 0.10 0.00 0.03 0.00 0.00 46.19 43.46 2kdm s LEU 7 CO 0.15 -0.12 0.07 0.21 0.23 0.00 0.00 176.35 176.89 2kdm s ASN 8 N 0.99 4.27 0.54 2.29 3.04 -0.53 -2.34 114.94 123.20 2kdm s ASN 8 Ca 0.24 -1.78 0.03 0.00 0.04 0.00 0.00 52.86 51.39 2kdm s ASN 8 Cb -0.15 -1.16 0.02 0.00 -1.54 0.00 0.00 41.25 38.42 2kdm s ASN 8 CO 0.10 -0.39 0.23 -1.48 -3.04 0.00 0.00 177.10 172.51 2kdm s LEU 9 N 1.35 2.45 -0.04 3.21 2.34 -1.26 -2.28 118.68 124.44 2kdm s LEU 9 Ca 0.09 -1.47 0.04 0.00 0.06 0.00 0.00 54.13 52.84 2kdm s LEU 9 Cb -0.18 -0.93 0.18 0.00 -0.56 0.00 0.00 46.19 44.69 2kdm s LEU 9 CO -0.17 -1.04 0.86 2.29 -1.06 0.00 0.00 176.35 177.22 2kdm n LYS 10 N -1.57 1.77 -3.10 1.48 2.85 -1.26 -4.35 118.16 113.97 2kdm n LYS 10 Ca -0.11 -0.69 -0.16 0.00 -1.05 0.00 0.00 58.31 56.30 2kdm n LYS 10 Cb 0.66 -1.55 -0.05 0.00 -0.65 0.00 0.00 35.03 33.44 2kdm n LYS 10 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2kdm s GLN 11 N -1.48 0.97 0.35 -1.58 -0.21 -1.26 -5.11 119.66 111.34 2kdm s GLN 11 Ca 0.12 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 53.91 2kdm s GLN 11 Cb 0.09 -0.76 0.00 0.00 1.00 0.00 0.00 33.01 33.34 2kdm s GLN 11 CO 0.04 -1.36 0.00 0.00 -2.12 0.00 0.00 175.29 171.86 2kdm n ALA 12 N 2.94 -1.50 -2.79 6.09 0.00 -1.26 -4.97 120.51 119.01 2kdm n ALA 12 Ca 0.24 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.66 2kdm n ALA 12 Cb 0.52 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 -4.77 3.53 -0.02 0.00 2.20 -1.26 -4.20 119.74 115.21 2kdm s LYS 13 Ca 0.00 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 2kdm s LYS 13 Cb 0.00 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2kdm s LYS 13 CO 0.00 0.52 0.07 -2.00 -0.36 0.00 0.00 175.35 173.58 2kdm s GLU 14 N -2.68 0.09 -0.17 4.03 2.12 -0.99 -5.06 118.70 116.04 2kdm s GLU 14 Ca 0.38 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.78 2kdm s GLU 14 Cb -0.12 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 2kdm s GLU 14 CO 0.27 -0.01 -0.10 -1.21 -0.54 0.00 0.00 175.26 173.66 2kdm s GLU 15 N 0.00 3.37 -0.14 4.30 2.02 -1.26 -1.02 118.70 125.97 2kdm s GLU 15 Ca -0.00 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 2kdm s GLU 15 Cb -0.01 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 2kdm s GLU 15 CO 0.00 0.04 -0.05 0.00 0.02 0.00 0.00 175.26 175.28 2kdm s ALA 16 N 0.80 2.98 0.03 5.21 0.00 0.09 -4.99 121.76 125.89 2kdm s ALA 16 Ca -0.04 -0.83 -0.01 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 0.01 0.30 -0.01 0.96 0.00 0.00 0.00 175.76 177.01 2kdm s ILE 17 N 0.11 0.14 -0.23 0.00 -0.00 -1.26 0.82 121.20 120.77 2kdm s ILE 17 Ca -0.01 -1.18 -0.27 0.00 -0.00 0.00 0.00 60.65 59.19 2kdm s ILE 17 Cb -0.14 -0.68 0.13 0.00 -0.00 0.00 0.00 42.46 41.77 2kdm s ILE 17 CO 0.03 -0.65 1.04 -0.75 -0.00 0.00 0.00 174.94 174.61 2kdm s LYS 18 N -2.27 0.52 -0.24 0.37 2.20 -0.94 -5.03 119.74 114.34 2kdm s LYS 18 Ca -0.08 0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.77 2kdm s LYS 18 Cb -0.04 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2kdm s LYS 18 CO -0.04 -0.11 0.32 -1.21 -0.36 0.00 0.00 175.35 173.96 2kdm s GLU 19 N -0.34 4.07 0.02 4.03 8.01 -1.26 -2.26 118.70 130.97 2kdm s GLU 19 Ca 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 54.97 54.99 2kdm s GLU 19 Cb -0.03 -3.60 -0.02 0.00 -4.31 0.00 0.00 34.13 26.18 2kdm s GLU 19 CO -0.03 -0.13 -0.02 0.00 0.01 0.00 0.00 175.26 175.08 2kdm s ALA 20 N 1.61 0.11 0.14 5.21 0.00 -0.62 -5.01 121.76 123.20 2kdm s ALA 20 Ca 0.14 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 2kdm s ALA 20 Cb -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2kdm s ALA 20 CO 0.08 -0.12 1.79 -0.39 0.00 0.00 0.00 175.76 177.13 2kdm h VAL 21 N 4.76 1.06 -3.75 0.00 -1.51 -1.98 -2.24 116.25 112.59 2kdm h VAL 21 Ca -0.30 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2kdm h VAL 21 Cb 1.21 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2kdm h VAL 21 CO 0.43 0.07 0.00 -0.90 -1.23 0.00 0.00 177.57 175.94 2kdm n ASP 22 N -4.90 1.45 -0.09 4.19 5.75 -1.26 -4.06 116.55 117.63 2kdm n ASP 22 Ca -0.02 -0.75 -0.11 0.00 -0.01 0.00 0.00 54.79 53.91 2kdm n ASP 22 Cb 0.03 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.48 -0.28 2.12 0.00 -1.26 -4.32 120.51 115.24 2kdm n ALA 23 Ca 0.00 -1.24 0.32 0.00 0.00 0.00 0.00 53.44 52.51 2kdm n ALA 23 Cb 0.00 -0.25 0.71 0.00 0.00 0.00 0.00 19.45 19.91 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 3.67 0.17 2.00 0.00 0.00 -1.99 0.90 103.07 107.83 2kdm h GLY 24 Ca -0.52 -0.03 -0.18 0.00 0.00 0.00 0.00 47.33 46.59 2kdm h GLY 24 CO 0.02 -0.02 -0.87 -0.84 0.00 0.00 0.00 176.54 174.83 2kdm h THR 25 N 0.06 1.55 0.23 4.70 2.02 -1.99 -2.60 112.91 116.87 2kdm h THR 25 Ca 0.53 -3.06 -0.30 0.00 0.77 0.00 0.00 66.41 64.34 2kdm h THR 25 Cb 2.00 2.69 0.03 0.00 -1.74 0.00 0.00 68.15 71.13 2kdm h THR 25 CO -0.05 0.85 -1.33 0.00 0.37 0.00 0.00 175.52 175.37 2kdm h ALA 26 N 1.13 -0.14 0.76 6.16 0.00 0.39 -2.55 119.26 125.01 2kdm h ALA 26 Ca -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 2kdm h ALA 26 Cb 1.62 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.58 2kdm h ALA 26 CO 0.11 0.62 -0.36 1.49 0.00 0.00 0.00 179.25 181.11 2kdm h GLU 27 N 0.01 -0.98 -0.96 0.00 4.81 -0.44 0.82 114.58 117.84 2kdm h GLU 27 Ca -0.23 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2kdm h GLU 27 Cb 2.04 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 31.57 2kdm h GLU 27 CO 0.24 -0.65 0.60 0.87 -0.73 0.00 0.00 179.01 179.35 2kdm h LYS 28 N -1.25 0.99 -0.12 1.92 1.79 -1.63 0.64 116.57 118.92 2kdm h LYS 28 Ca -0.10 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 2kdm h LYS 28 Cb 0.79 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2kdm h LYS 28 CO 0.17 0.65 -0.20 -0.92 -1.08 0.00 0.00 179.45 178.07 2kdm h TYR 29 N 1.02 0.44 -0.74 -1.35 5.03 -1.41 -2.60 116.97 117.36 2kdm h TYR 29 Ca 0.44 -0.15 -0.02 0.00 2.58 0.00 0.00 58.73 61.58 2kdm h TYR 29 Cb 0.32 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 2kdm h TYR 29 CO -0.02 0.81 0.38 0.74 -1.32 0.00 0.00 178.16 178.76 2kdm h PHE 30 N -0.06 1.04 -0.07 -3.82 0.04 0.13 -1.87 116.94 112.33 2kdm h PHE 30 Ca 0.01 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2kdm h PHE 30 Cb 0.77 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2kdm h PHE 30 CO 0.10 0.75 0.02 -0.22 -0.60 0.00 0.00 178.31 178.36 2kdm h LYS 31 N 1.03 0.09 -0.08 1.51 3.64 0.30 -0.76 116.57 122.30 2kdm h LYS 31 Ca 0.26 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.41 2kdm h LYS 31 Cb 0.08 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kdm h LYS 31 CO -0.04 0.09 -0.84 -0.07 -2.27 0.00 0.00 179.45 176.32 2kdm h LEU 32 N 0.09 0.77 -0.07 5.20 3.38 -0.94 -2.56 115.31 121.18 2kdm h LEU 32 Ca 0.02 -0.54 -0.22 0.00 0.09 0.00 0.00 57.88 57.23 2kdm h LEU 32 Cb 0.03 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.57 2kdm h LEU 32 CO -0.00 1.32 -0.83 -0.29 0.09 0.00 0.00 178.44 178.73 2kdm h ILE 33 N 0.40 1.31 0.69 1.22 6.09 -1.03 -2.66 117.51 123.53 2kdm h ILE 33 Ca -0.07 -2.08 -0.03 0.00 -1.37 0.00 0.00 64.86 61.31 2kdm h ILE 33 Cb 1.46 2.25 0.01 0.00 0.47 0.00 0.00 36.82 41.01 2kdm h ILE 33 CO 0.16 0.64 -0.33 0.00 -3.07 0.00 0.00 178.15 175.55 2kdm h ALA 34 N 0.45 -0.92 -0.74 0.18 0.00 -1.23 0.24 119.26 117.24 2kdm h ALA 34 Ca -0.09 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.75 2kdm h ALA 34 Cb 1.49 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 2kdm h ALA 34 CO 0.17 -0.99 0.49 -0.91 0.00 0.00 0.00 179.25 178.01 2kdm h ASN 35 N -0.98 0.42 -0.27 0.00 -0.26 -1.57 0.33 115.58 113.26 2kdm h ASN 35 Ca -0.09 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2kdm h ASN 35 Cb 0.72 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2kdm h ASN 35 CO 0.15 0.23 0.00 0.00 -1.06 0.00 0.00 177.43 176.75 2kdm n ALA 36 N -2.51 2.48 -0.09 -0.83 0.00 -1.00 -4.16 120.51 114.40 2kdm n ALA 36 Ca 0.14 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 2kdm n ALA 36 Cb 0.49 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 0.66 0.46 0.00 0.00 4.76 0.11 -5.01 118.16 119.14 2kdm n LYS 37 Ca 0.16 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2kdm n LYS 37 Cb 0.39 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2kdm n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2kdm n THR 38 N -3.10 0.00 -1.68 -0.18 -1.04 -0.56 -5.07 114.28 102.65 2kdm n THR 38 Ca -0.33 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.67 2kdm n THR 38 Cb 0.84 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 2kdm n THR 38 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2kdm n VAL 39 N -2.30 -1.90 -3.28 12.58 0.31 -1.13 -4.98 118.33 117.64 2kdm n VAL 39 Ca 0.00 -0.10 0.03 0.00 -0.01 0.00 0.00 64.34 64.26 2kdm n VAL 39 Cb 0.00 -3.54 -0.04 0.00 -0.91 0.00 0.00 33.84 29.35 2kdm n VAL 39 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kdm s GLU 40 N -3.10 0.06 0.00 5.55 8.01 -1.26 -5.08 118.70 122.88 2kdm s GLU 40 Ca 0.03 0.14 0.00 0.00 0.01 0.00 0.00 54.97 55.15 2kdm s GLU 40 Cb -0.00 0.07 0.00 0.00 -4.31 0.00 0.00 34.13 29.89 2kdm s GLU 40 CO 0.08 -0.02 0.00 0.41 0.01 0.00 0.00 175.26 175.74 2kdm n GLY 41 N 4.34 -2.27 3.36 -1.39 0.00 -1.26 -4.23 105.19 103.74 2kdm n GLY 41 Ca -0.08 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.00 4.55 -0.37 1.61 1.01 0.33 -4.68 120.40 120.85 2kdm s VAL 42 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 2kdm s VAL 42 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2kdm s VAL 42 CO 0.00 -0.31 1.75 0.26 0.00 0.00 0.00 175.10 176.80 2kdm s TRP 43 N 1.53 1.87 0.14 5.22 0.52 -1.24 -2.56 118.94 124.43 2kdm s TRP 43 Ca 0.02 0.65 0.07 0.00 0.02 0.00 0.00 56.10 56.87 2kdm s TRP 43 Cb -0.20 -4.15 -0.04 0.00 -1.15 0.00 0.00 33.47 27.93 2kdm s TRP 43 CO 0.06 -2.75 -0.17 0.95 0.02 0.00 0.00 176.95 175.06 2kdm s THR 44 N 6.94 1.60 -0.02 2.01 -4.23 0.19 -4.93 115.64 117.21 2kdm s THR 44 Ca 0.76 -1.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 2kdm s THR 44 Cb -0.20 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 71.96 2kdm s THR 44 CO 0.32 -0.33 0.10 -0.47 -0.54 0.00 0.00 174.62 173.70 2kdm s TYR 45 N -2.01 -0.03 -0.02 3.99 6.14 -1.26 0.15 117.35 124.32 2kdm s TYR 45 Ca 0.12 0.07 0.08 0.00 0.64 0.00 0.00 57.07 57.98 2kdm s TYR 45 Cb -0.06 -0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.29 2kdm s TYR 45 CO 0.05 -0.14 -0.25 0.15 0.64 0.00 0.00 175.55 176.00 2kdm s LYS 46 N -0.54 2.02 0.00 4.97 -0.14 0.72 -4.98 119.74 121.79 2kdm s LYS 46 Ca -0.06 -0.91 0.29 0.00 -1.36 0.00 0.00 55.97 53.93 2kdm s LYS 46 Cb -0.04 -1.97 1.29 0.00 -1.68 0.00 0.00 37.83 35.44 2kdm s LYS 46 CO 0.00 0.54 1.90 -0.25 -0.76 0.00 0.00 175.35 176.78 2kdm n ASP 47 N 2.43 0.50 -0.24 2.83 8.00 -1.26 -2.35 116.55 126.47 2kdm n ASP 47 Ca -0.16 -0.70 0.18 0.00 0.71 0.00 0.00 54.79 54.82 2kdm n ASP 47 Cb 0.51 -0.06 0.49 0.00 -0.02 0.00 0.00 41.12 42.05 2kdm n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kdm h GLU 48 N 0.65 0.43 0.00 -1.24 4.39 -1.95 -3.34 114.58 113.52 2kdm h GLU 48 Ca 0.00 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2kdm h GLU 48 Cb 0.33 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.79 2kdm h GLU 48 CO 0.00 0.28 -0.19 0.44 -1.16 0.00 0.00 179.01 178.39 2kdm n ILE 49 N -4.52 0.00 -2.91 3.13 -5.35 -1.26 -5.07 119.36 103.39 2kdm n ILE 49 Ca 0.18 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 2kdm n ILE 49 Cb 0.65 0.43 0.01 0.00 -1.74 0.00 0.00 39.64 38.99 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2kdm n LYS 50 N -0.21 -2.53 -3.74 6.28 4.76 -1.11 -4.67 118.16 116.95 2kdm n LYS 50 Ca -0.17 2.16 -0.12 0.00 -2.87 0.00 0.00 58.31 57.30 2kdm n LYS 50 Cb 0.58 -4.89 -0.12 0.00 -1.84 0.00 0.00 35.03 28.77 2kdm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kdm s THR 51 N -2.10 -0.02 0.26 -0.18 2.01 -0.99 -2.47 115.64 112.14 2kdm s THR 51 Ca 0.18 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.35 2kdm s THR 51 Cb -0.04 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 2kdm s THR 51 CO 0.74 0.03 0.04 -0.36 -0.69 0.00 0.00 174.62 174.39 2kdm s PHE 52 N 0.83 2.80 0.03 4.92 0.40 0.23 -0.20 117.98 126.98 2kdm s PHE 52 Ca -0.06 -0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 2kdm s PHE 52 Cb -0.07 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.22 2kdm s PHE 52 CO -0.05 0.59 0.19 0.99 0.70 0.00 0.00 175.22 177.64 2kdm s THR 53 N -2.24 0.11 -0.28 0.64 2.01 0.39 0.25 115.64 116.51 2kdm s THR 53 Ca 0.31 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 2kdm s THR 53 Cb -0.07 -0.86 0.09 0.00 0.01 0.00 0.00 72.50 71.67 2kdm s THR 53 CO 0.21 -0.48 0.10 0.54 -0.69 0.00 0.00 174.62 174.30 2kdm s VAL 54 N -2.43 0.54 -0.24 3.82 0.11 -0.07 0.57 120.40 122.70 2kdm s VAL 54 Ca -0.06 -1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 57.83 2kdm s VAL 54 Cb -0.02 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2kdm s VAL 54 CO -0.03 -0.60 0.15 -0.89 -3.33 0.00 0.00 175.10 170.40 2kdm s THR 55 N 1.80 5.27 -2.70 5.04 2.01 -1.06 -1.46 115.64 124.54 2kdm s THR 55 Ca 0.08 0.15 0.22 0.00 0.31 0.00 0.00 61.69 62.44 2kdm s THR 55 Cb -0.17 -3.46 0.17 0.00 0.01 0.00 0.00 72.50 69.05 2kdm s THR 55 CO -0.25 0.34 1.18 1.21 -0.69 0.00 0.00 174.62 176.41