#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 5.01 0.02 12.58 -4.23 -1.26 -2.01 115.64 125.75 2kdm s THR 2 Ca 0.00 1.20 0.03 0.00 -1.18 0.00 0.00 61.69 61.74 2kdm s THR 2 Cb 0.00 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 2kdm s THR 2 CO 0.00 0.10 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.84 2kdm s TYR 3 N 1.96 2.96 0.06 3.99 1.51 -0.65 -4.62 117.35 122.56 2kdm s TYR 3 Ca 0.29 -0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 2kdm s TYR 3 Cb -0.16 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 2kdm s TYR 3 CO 0.10 0.42 -0.11 0.15 -1.11 0.00 0.00 175.55 175.01 2kdm s LYS 4 N -1.66 0.70 -0.06 -0.62 1.02 -1.02 -1.69 119.74 116.42 2kdm s LYS 4 Ca 0.20 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.31 2kdm s LYS 4 Cb -0.11 -0.56 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 2kdm s LYS 4 CO 0.11 0.11 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.37 2kdm s LEU 5 N -1.76 1.63 -0.38 3.17 2.96 0.33 0.05 118.68 124.67 2kdm s LEU 5 Ca -0.05 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2kdm s LEU 5 Cb -0.09 -0.75 0.06 0.00 0.50 0.00 0.00 46.19 45.90 2kdm s LEU 5 CO 0.01 0.03 0.20 -0.63 -1.32 0.00 0.00 176.35 174.64 2kdm s ILE 6 N 0.62 4.13 -0.21 6.68 -1.09 0.22 -0.92 121.20 130.64 2kdm s ILE 6 Ca -0.13 -1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 56.95 2kdm s ILE 6 Cb -0.15 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 2kdm s ILE 6 CO 0.03 -0.36 0.21 -0.76 -1.23 0.00 0.00 174.94 172.84 2kdm s LEU 7 N 1.44 4.17 -0.31 2.97 1.43 -0.60 -0.82 118.68 126.96 2kdm s LEU 7 Ca 0.01 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2kdm s LEU 7 Cb -0.21 -2.21 0.10 0.00 0.03 0.00 0.00 46.19 43.89 2kdm s LEU 7 CO 0.03 0.08 0.07 0.21 0.23 0.00 0.00 176.35 176.97 2kdm s ASN 8 N 0.75 4.26 0.54 2.29 3.04 -0.43 -2.34 114.94 123.05 2kdm s ASN 8 Ca 0.11 -1.77 0.03 0.00 0.04 0.00 0.00 52.86 51.27 2kdm s ASN 8 Cb -0.13 -1.16 0.02 0.00 -1.54 0.00 0.00 41.25 38.44 2kdm s ASN 8 CO 0.03 -0.38 0.23 -1.48 -3.04 0.00 0.00 177.10 172.45 2kdm s LEU 9 N 1.35 2.45 -0.24 3.21 0.05 -1.26 -2.31 118.68 121.93 2kdm s LEU 9 Ca 0.09 -1.47 -0.03 0.00 0.05 0.00 0.00 54.13 52.77 2kdm s LEU 9 Cb -0.18 -0.94 -0.00 0.00 -2.05 0.00 0.00 46.19 43.01 2kdm s LEU 9 CO -0.17 -1.04 2.74 0.29 -0.55 0.00 0.00 176.35 177.62 2kdm n LYS 10 N -1.57 1.97 0.00 1.48 4.76 -1.26 -4.34 118.16 119.19 2kdm n LYS 10 Ca -0.11 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 2kdm n LYS 10 Cb 0.66 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2kdm n LYS 10 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2kdm n GLN 11 N 1.29 0.00 -1.33 1.97 7.27 -1.26 -5.14 117.38 120.19 2kdm n GLN 11 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2kdm n GLN 11 Cb 0.65 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.30 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kdm n ALA 12 N 0.00 -1.89 -2.54 1.69 0.00 -1.26 -4.96 120.51 111.56 2kdm n ALA 12 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 2kdm n ALA 12 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 2kdm n ALA 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kdm s LYS 13 N -4.11 3.73 -0.03 0.00 -2.85 -1.26 -4.35 119.74 110.86 2kdm s LYS 13 Ca 0.00 0.12 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 2kdm s LYS 13 Cb 0.00 -2.78 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 2kdm s LYS 13 CO 0.00 0.42 -0.11 -1.21 0.10 0.00 0.00 175.35 174.54 2kdm s GLU 14 N -2.60 1.22 -0.19 1.78 0.41 -0.99 -5.04 118.70 113.30 2kdm s GLU 14 Ca 0.43 -0.40 -0.04 0.00 -0.41 0.00 0.00 54.97 54.55 2kdm s GLU 14 Cb -0.12 -1.10 -0.02 0.00 -1.78 0.00 0.00 34.13 31.10 2kdm s GLU 14 CO 0.22 0.15 -0.03 -1.21 -0.49 0.00 0.00 175.26 173.90 2kdm s GLU 15 N 0.16 3.56 -0.07 1.61 2.02 -1.26 -1.56 118.70 123.16 2kdm s GLU 15 Ca -0.04 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.40 2kdm s GLU 15 Cb -0.10 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 2kdm s GLU 15 CO 0.01 0.05 -0.05 0.00 0.02 0.00 0.00 175.26 175.29 2kdm s ALA 16 N 0.86 3.06 -0.01 5.21 0.00 -0.09 -4.97 121.76 125.82 2kdm s ALA 16 Ca -0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 2kdm s ALA 16 Cb -0.14 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.72 2kdm s ALA 16 CO 0.02 0.58 0.39 0.96 0.00 0.00 0.00 175.76 177.71 2kdm s ILE 17 N -0.84 0.05 -0.28 0.00 -4.36 -1.26 0.12 121.20 114.63 2kdm s ILE 17 Ca 0.13 -0.40 -0.25 0.00 -0.26 0.00 0.00 60.65 59.87 2kdm s ILE 17 Cb -0.11 -0.76 0.13 0.00 1.25 0.00 0.00 42.46 42.97 2kdm s ILE 17 CO 0.02 -0.22 1.06 -0.75 0.24 0.00 0.00 174.94 175.29 2kdm s LYS 18 N -1.55 0.48 -0.27 0.37 2.47 -0.68 -5.02 119.74 115.53 2kdm s LYS 18 Ca -0.11 0.55 -0.11 0.00 -1.56 0.00 0.00 55.97 54.73 2kdm s LYS 18 Cb -0.03 0.23 -0.05 0.00 -1.46 0.00 0.00 37.83 36.52 2kdm s LYS 18 CO 0.04 -0.06 0.18 -1.83 0.16 0.00 0.00 175.35 173.84 2kdm s GLU 19 N 0.17 3.97 0.05 4.03 -1.05 -1.26 -1.63 118.70 122.97 2kdm s GLU 19 Ca 0.03 -0.31 0.02 0.00 -0.15 0.00 0.00 54.97 54.56 2kdm s GLU 19 Cb -0.05 -3.64 -0.03 0.00 -0.44 0.00 0.00 34.13 29.98 2kdm s GLU 19 CO -0.07 -0.13 -0.07 0.00 0.95 0.00 0.00 175.26 175.94 2kdm s ALA 20 N 1.62 0.56 0.13 -0.84 0.00 -0.85 -4.98 121.76 117.40 2kdm s ALA 20 Ca 0.07 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 2kdm s ALA 20 Cb -0.15 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2kdm s ALA 20 CO 0.10 -0.07 1.75 -0.24 0.00 0.00 0.00 175.76 177.29 2kdm h VAL 21 N 4.30 1.12 -3.83 0.00 3.04 -1.98 -1.87 116.25 117.03 2kdm h VAL 21 Ca -0.35 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 2kdm h VAL 21 Cb 1.20 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2kdm h VAL 21 CO 0.44 0.12 0.00 -0.90 -1.01 0.00 0.00 177.57 176.23 2kdm n ASP 22 N -4.81 0.42 -0.06 3.17 5.75 -1.26 -4.23 116.55 115.53 2kdm n ASP 22 Ca -0.01 -0.83 -0.07 0.00 -0.01 0.00 0.00 54.79 53.87 2kdm n ASP 22 Cb 0.06 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.70 -0.17 2.12 0.00 -1.26 -4.50 120.51 115.39 2kdm n ALA 23 Ca 0.00 -0.75 0.29 0.00 0.00 0.00 0.00 53.44 52.99 2kdm n ALA 23 Cb 0.00 0.04 0.71 0.00 0.00 0.00 0.00 19.45 20.20 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 2.00 0.00 1.94 0.00 0.00 -1.99 0.91 103.07 105.93 2kdm h GLY 24 Ca -0.33 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 2kdm h GLY 24 CO -0.00 0.00 -0.96 -0.84 0.00 0.00 0.00 176.54 174.74 2kdm h THR 25 N 0.00 1.64 -0.15 4.70 2.02 -1.99 -2.63 112.91 116.49 2kdm h THR 25 Ca 0.43 -3.13 -0.22 0.00 0.77 0.00 0.00 66.41 64.26 2kdm h THR 25 Cb 1.93 2.72 0.01 0.00 -1.74 0.00 0.00 68.15 71.07 2kdm h THR 25 CO -0.00 0.90 -0.76 0.00 0.37 0.00 0.00 175.52 176.03 2kdm h ALA 26 N 1.01 0.36 0.60 6.16 0.00 0.56 -1.34 119.26 126.61 2kdm h ALA 26 Ca -0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 2kdm h ALA 26 Cb 1.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kdm h ALA 26 CO 0.13 0.69 -0.29 1.49 0.00 0.00 0.00 179.25 181.28 2kdm h GLU 27 N 0.52 -0.77 -0.91 0.00 4.81 -1.28 0.20 114.58 117.15 2kdm h GLU 27 Ca -0.04 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2kdm h GLU 27 Cb 1.38 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.86 2kdm h GLU 27 CO 0.15 -0.50 0.56 0.87 -0.73 0.00 0.00 179.01 179.36 2kdm h LYS 28 N -1.20 0.96 0.10 1.92 1.57 -1.58 0.45 116.57 118.80 2kdm h LYS 28 Ca -0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2kdm h LYS 28 Cb 0.63 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2kdm h LYS 28 CO 0.13 0.64 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.68 2kdm h TYR 29 N 0.99 -0.13 -0.71 -1.35 5.03 -1.28 -1.87 116.97 117.65 2kdm h TYR 29 Ca 0.41 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.71 2kdm h TYR 29 Cb 0.25 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 2kdm h TYR 29 CO -0.03 0.15 0.42 0.74 -1.32 0.00 0.00 178.16 178.12 2kdm h PHE 30 N -0.39 0.94 -0.11 -3.82 0.04 -0.53 -1.65 116.94 111.43 2kdm h PHE 30 Ca -0.01 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.77 2kdm h PHE 30 Cb 0.33 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2kdm h PHE 30 CO 0.01 0.64 0.08 -0.22 -0.60 0.00 0.00 178.31 178.22 2kdm h LYS 31 N 0.97 0.06 -0.13 1.51 3.64 -0.01 0.16 116.57 122.78 2kdm h LYS 31 Ca 0.25 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.42 2kdm h LYS 31 Cb -0.02 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2kdm h LYS 31 CO -0.05 0.04 -0.76 -0.07 -2.27 0.00 0.00 179.45 176.34 2kdm h LEU 32 N 0.06 0.80 0.03 5.20 3.38 -0.45 -2.41 115.31 121.91 2kdm h LEU 32 Ca 0.05 -0.52 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 2kdm h LEU 32 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2kdm h LEU 32 CO -0.01 1.30 -1.13 -0.29 0.09 0.00 0.00 178.44 178.41 2kdm h ILE 33 N 0.46 1.53 0.29 1.22 6.09 -0.98 -2.66 117.51 123.46 2kdm h ILE 33 Ca -0.05 -3.03 -0.01 0.00 -1.37 0.00 0.00 64.86 60.40 2kdm h ILE 33 Cb 1.38 2.83 0.00 0.00 0.47 0.00 0.00 36.82 41.50 2kdm h ILE 33 CO 0.15 0.88 -0.14 0.00 -3.07 0.00 0.00 178.15 175.97 2kdm h ALA 34 N 0.72 -0.78 -0.60 0.18 0.00 -0.75 0.42 119.26 118.45 2kdm h ALA 34 Ca -0.10 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.84 2kdm h ALA 34 Cb 1.85 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 2kdm h ALA 34 CO 0.18 -0.75 0.41 -0.91 0.00 0.00 0.00 179.25 178.17 2kdm h ASN 35 N -0.53 0.32 1.48 0.00 -0.26 -1.40 1.02 115.58 116.22 2kdm h ASN 35 Ca -0.04 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.66 2kdm h ASN 35 Cb 0.30 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2kdm h ASN 35 CO 0.07 0.19 -0.23 0.00 -1.06 0.00 0.00 177.43 176.39 2kdm h ALA 36 N 1.70 0.89 0.00 -0.83 0.00 -1.48 -3.30 119.26 116.24 2kdm h ALA 36 Ca 0.28 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 54.62 2kdm h ALA 36 Cb 0.63 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2kdm h ALA 36 CO -0.07 0.29 -2.30 1.63 0.00 0.00 0.00 179.25 178.80 2kdm n LYS 37 N -3.21 0.68 -3.62 0.00 4.76 0.13 -5.04 118.16 111.85 2kdm n LYS 37 Ca 0.02 0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.51 2kdm n LYS 37 Cb 0.56 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.17 2kdm n LYS 37 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2kdm s THR 38 N -2.51 0.00 -0.39 -0.18 -1.32 0.33 -5.07 115.64 106.50 2kdm s THR 38 Ca -0.14 -0.21 0.10 0.00 -1.21 0.00 0.00 61.69 60.24 2kdm s THR 38 Cb 0.07 -1.58 0.30 0.00 -1.51 0.00 0.00 72.50 69.77 2kdm s THR 38 CO 0.79 0.00 0.64 1.33 -2.21 0.00 0.00 174.62 175.17 2kdm n VAL 39 N -0.34 -0.22 -3.15 5.08 0.24 -1.26 -3.22 118.33 115.46 2kdm n VAL 39 Ca -0.05 -4.38 0.05 0.00 -2.04 0.00 0.00 64.34 57.92 2kdm n VAL 39 Cb 0.61 -1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 31.84 2kdm n VAL 39 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kdm s GLU 40 N -1.90 0.21 0.00 7.34 2.02 -1.26 -5.15 118.70 119.95 2kdm s GLU 40 Ca 0.38 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.73 2kdm s GLU 40 Cb 0.26 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.69 2kdm s GLU 40 CO -0.09 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.36 2kdm n GLY 41 N 5.45 0.01 3.35 -1.39 0.00 -1.26 -4.10 105.19 107.25 2kdm n GLY 41 Ca -0.06 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 2kdm n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kdm s VAL 42 N -2.00 4.33 0.05 1.61 -7.23 0.37 -4.68 120.40 112.86 2kdm s VAL 42 Ca 0.00 -0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.98 2kdm s VAL 42 Cb 0.00 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 2kdm s VAL 42 CO 0.00 -0.17 1.37 0.26 -0.31 0.00 0.00 175.10 176.25 2kdm s TRP 43 N 1.52 3.08 0.04 2.82 0.52 -1.24 -2.57 118.94 123.11 2kdm s TRP 43 Ca 0.01 0.93 -0.13 0.00 0.02 0.00 0.00 56.10 56.94 2kdm s TRP 43 Cb -0.19 -3.64 0.02 0.00 -1.15 0.00 0.00 33.47 28.51 2kdm s TRP 43 CO 0.05 -2.27 0.29 0.95 0.02 0.00 0.00 176.95 175.99 2kdm s THR 44 N 1.70 0.09 -0.03 2.01 -4.23 0.80 -4.94 115.64 111.04 2kdm s THR 44 Ca 0.63 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 2kdm s THR 44 Cb -0.33 -0.91 0.01 0.00 1.34 0.00 0.00 72.50 72.60 2kdm s THR 44 CO 0.28 -0.39 0.11 -0.47 -0.54 0.00 0.00 174.62 173.61 2kdm s TYR 45 N -2.48 -0.08 -0.12 3.99 6.14 -1.26 0.13 117.35 123.67 2kdm s TYR 45 Ca -0.06 0.20 0.03 0.00 0.64 0.00 0.00 57.07 57.89 2kdm s TYR 45 Cb -0.01 0.02 0.01 0.00 0.42 0.00 0.00 41.96 42.39 2kdm s TYR 45 CO -0.03 -0.09 -0.22 0.15 0.64 0.00 0.00 175.55 176.00 2kdm s LYS 46 N -0.20 2.92 0.15 4.97 -0.14 0.31 -4.97 119.74 122.77 2kdm s LYS 46 Ca -0.03 -0.82 0.23 0.00 -1.36 0.00 0.00 55.97 53.99 2kdm s LYS 46 Cb -0.02 -2.32 0.90 0.00 -1.68 0.00 0.00 37.83 34.70 2kdm s LYS 46 CO 0.00 0.04 1.70 -0.40 -0.76 0.00 0.00 175.35 175.93 2kdm n ASP 47 N 3.92 0.45 -0.34 2.83 5.68 -1.26 -1.99 116.55 125.84 2kdm n ASP 47 Ca -0.20 0.58 0.30 0.00 -0.50 0.00 0.00 54.79 54.98 2kdm n ASP 47 Cb 0.52 -0.69 0.64 0.00 -1.14 0.00 0.00 41.12 40.45 2kdm n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2kdm h GLU 48 N 0.00 0.18 0.00 0.11 4.39 -1.96 -3.23 114.58 114.07 2kdm h GLU 48 Ca 0.00 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2kdm h GLU 48 Cb 0.44 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.96 2kdm h GLU 48 CO 0.00 0.12 -0.21 0.44 -1.16 0.00 0.00 179.01 178.19 2kdm n ILE 49 N -4.42 0.00 -2.92 3.13 -5.35 -1.23 -5.08 119.36 103.49 2kdm n ILE 49 Ca 0.27 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.74 2kdm n ILE 49 Cb 1.11 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 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 0.00 -2.22 -3.63 6.28 4.01 -0.84 -4.70 118.16 117.06 2kdm n LYS 50 Ca -0.21 1.98 -0.11 0.00 -0.51 0.00 0.00 58.31 59.46 2kdm n LYS 50 Cb 0.64 -3.66 -0.07 0.00 -0.51 0.00 0.00 35.03 31.43 2kdm n LYS 50 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2kdm s THR 51 N -1.43 0.00 0.29 -0.18 -1.32 -1.00 -2.43 115.64 109.57 2kdm s THR 51 Ca 0.02 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.58 2kdm s THR 51 Cb -0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2kdm s THR 51 CO 0.49 0.00 0.18 -0.36 -2.21 0.00 0.00 174.62 172.72 2kdm s PHE 52 N 0.84 2.93 0.01 9.09 0.40 0.11 -0.53 117.98 130.83 2kdm s PHE 52 Ca -0.04 -0.21 -0.10 0.00 -0.60 0.00 0.00 56.93 55.98 2kdm s PHE 52 Cb -0.05 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.99 2kdm s PHE 52 CO -0.07 0.43 0.20 0.99 0.70 0.00 0.00 175.22 177.47 2kdm s THR 53 N -2.25 0.08 -0.26 0.64 2.01 0.35 -0.61 115.64 115.61 2kdm s THR 53 Ca 0.35 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 2kdm s THR 53 Cb -0.06 -0.61 0.08 0.00 0.01 0.00 0.00 72.50 71.92 2kdm s THR 53 CO 0.24 -0.37 0.09 0.54 -0.69 0.00 0.00 174.62 174.42 2kdm s VAL 54 N -1.67 0.43 -0.16 3.82 0.11 0.00 -0.14 120.40 122.80 2kdm s VAL 54 Ca -0.12 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.02 2kdm s VAL 54 Cb -0.05 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2kdm s VAL 54 CO 0.01 -0.51 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.35 2kdm s THR 55 N 1.86 4.00 -2.63 5.04 2.01 -1.06 -1.31 115.64 123.55 2kdm s THR 55 Ca 0.06 -0.32 0.27 0.00 0.31 0.00 0.00 61.69 62.01 2kdm s THR 55 Cb -0.17 -2.76 0.46 0.00 0.01 0.00 0.00 72.50 70.04 2kdm s THR 55 CO -0.22 0.49 1.62 1.21 -0.69 0.00 0.00 174.62 177.04