#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 4.24 0.40 4.28 2.01 -1.26 -2.28 115.64 123.03 2kdm s THR 2 Ca 0.00 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2kdm s THR 2 Cb 0.00 -4.69 -0.11 0.00 0.01 0.00 0.00 72.50 67.71 2kdm s THR 2 CO 0.00 -1.45 0.93 -0.31 -0.69 0.00 0.00 174.62 173.10 2kdm s TYR 3 N 4.31 3.38 0.10 4.92 1.51 -0.14 -4.79 117.35 126.65 2kdm s TYR 3 Ca 0.26 1.60 0.07 0.00 -1.01 0.00 0.00 57.07 57.99 2kdm s TYR 3 Cb -0.14 -2.83 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 2kdm s TYR 3 CO 0.13 -0.04 -0.18 0.15 -1.11 0.00 0.00 175.55 174.51 2kdm s LYS 4 N -2.97 1.03 -0.08 -0.62 1.02 -1.01 -2.29 119.74 114.82 2kdm s LYS 4 Ca 0.59 -1.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.42 2kdm s LYS 4 Cb -0.11 -1.14 0.04 0.00 -0.52 0.00 0.00 37.83 36.10 2kdm s LYS 4 CO 0.15 0.25 0.04 -1.17 -0.92 0.00 0.00 175.35 173.71 2kdm s LEU 5 N -2.02 0.39 -0.35 3.17 2.96 0.21 0.12 118.68 123.17 2kdm s LEU 5 Ca 0.05 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.67 2kdm s LEU 5 Cb -0.09 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 2kdm s LEU 5 CO 0.04 -0.25 0.29 -0.63 -1.32 0.00 0.00 176.35 174.48 2kdm s ILE 6 N 2.08 5.24 -0.21 6.68 -1.09 0.27 -1.13 121.20 133.04 2kdm s ILE 6 Ca 0.04 -0.15 -0.07 0.00 -2.23 0.00 0.00 60.65 58.24 2kdm s ILE 6 Cb -0.13 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 2kdm s ILE 6 CO -0.05 -0.07 0.06 -0.76 -1.23 0.00 0.00 174.94 172.89 2kdm s LEU 7 N 1.84 3.59 -0.22 2.97 1.43 -0.65 0.08 118.68 127.71 2kdm s LEU 7 Ca 0.08 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2kdm s LEU 7 Cb -0.17 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2kdm s LEU 7 CO 0.11 0.08 -0.14 0.21 0.23 0.00 0.00 176.35 176.84 2kdm s ASN 8 N 0.91 3.78 0.54 2.29 3.04 -0.12 -2.31 114.94 123.06 2kdm s ASN 8 Ca 0.03 -0.87 0.03 0.00 0.04 0.00 0.00 52.86 52.10 2kdm s ASN 8 Cb -0.14 -1.55 0.02 0.00 -1.54 0.00 0.00 41.25 38.04 2kdm s ASN 8 CO 0.03 -0.08 0.23 -0.76 -3.04 0.00 0.00 177.10 173.48 2kdm s LEU 9 N 1.26 2.49 -0.56 3.21 1.02 -0.93 -2.00 118.68 123.17 2kdm s LEU 9 Ca 0.01 -1.44 -0.03 0.00 0.02 0.00 0.00 54.13 52.69 2kdm s LEU 9 Cb -0.16 -0.97 0.21 0.00 0.02 0.00 0.00 46.19 45.29 2kdm s LEU 9 CO -0.09 -1.02 2.37 0.29 0.02 0.00 0.00 176.35 177.92 2kdm n LYS 10 N -1.57 2.42 0.00 1.70 5.02 -1.26 -4.13 118.16 120.35 2kdm n LYS 10 Ca -0.10 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 2kdm n LYS 10 Cb 0.65 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2kdm n LYS 10 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kdm n GLN 11 N 0.21 0.00 -1.14 1.97 6.02 -1.26 -5.17 117.38 118.01 2kdm n GLN 11 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2kdm n GLN 11 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 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 -1.28 0.00 -3.68 -1.58 0.00 -1.26 -5.17 120.51 107.54 2kdm n ALA 12 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2kdm n ALA 12 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.98 0.63 -0.09 0.00 -2.85 -1.26 -2.19 119.74 112.00 2kdm s LYS 13 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2kdm s LYS 13 Cb 0.00 -0.77 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 2kdm s LYS 13 CO 0.00 -0.15 -0.08 -1.21 0.10 0.00 0.00 175.35 174.01 2kdm s GLU 14 N 1.19 2.97 -0.24 1.78 8.01 -0.98 -5.01 118.70 126.43 2kdm s GLU 14 Ca -0.07 -0.58 -0.05 0.00 0.01 0.00 0.00 54.97 54.27 2kdm s GLU 14 Cb -0.14 -2.62 -0.02 0.00 -4.31 0.00 0.00 34.13 27.04 2kdm s GLU 14 CO -0.02 0.52 0.01 -1.21 0.01 0.00 0.00 175.26 174.57 2kdm s GLU 15 N -0.42 3.49 -0.14 1.61 2.02 -1.26 -1.64 118.70 122.36 2kdm s GLU 15 Ca 0.06 -0.57 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 2kdm s GLU 15 Cb -0.12 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 2kdm s GLU 15 CO 0.02 -0.20 -0.05 0.00 0.02 0.00 0.00 175.26 175.05 2kdm s ALA 16 N 1.54 2.99 0.08 5.21 0.00 -0.29 -4.99 121.76 126.31 2kdm s ALA 16 Ca 0.06 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2kdm s ALA 16 Cb -0.15 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2kdm s ALA 16 CO -0.00 0.29 0.09 0.96 0.00 0.00 0.00 175.76 177.11 2kdm s ILE 17 N 0.11 0.16 -0.18 0.00 -0.00 -1.26 0.64 121.20 120.67 2kdm s ILE 17 Ca -0.01 -1.55 -0.29 0.00 -0.00 0.00 0.00 60.65 58.80 2kdm s ILE 17 Cb -0.14 -1.54 0.13 0.00 -0.00 0.00 0.00 42.46 40.91 2kdm s ILE 17 CO 0.03 -0.74 1.00 -0.75 -0.00 0.00 0.00 174.94 174.48 2kdm s LYS 18 N -3.92 0.58 -0.31 0.37 2.20 -0.97 -5.03 119.74 112.66 2kdm s LYS 18 Ca 0.09 0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.85 2kdm s LYS 18 Cb 0.06 0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 2kdm s LYS 18 CO -0.08 -0.17 0.05 -1.21 -0.36 0.00 0.00 175.35 173.58 2kdm s GLU 19 N -0.94 2.72 0.02 4.03 2.02 -1.26 -0.97 118.70 124.33 2kdm s GLU 19 Ca -0.01 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.89 2kdm s GLU 19 Cb -0.01 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 2kdm s GLU 19 CO 0.01 -0.56 -0.04 0.00 0.02 0.00 0.00 175.26 174.68 2kdm s ALA 20 N 1.38 0.22 0.15 5.21 0.00 -0.96 -4.99 121.76 122.76 2kdm s ALA 20 Ca -0.01 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 2kdm s ALA 20 Cb -0.19 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2kdm s ALA 20 CO 0.01 -0.12 1.80 -0.39 0.00 0.00 0.00 175.76 177.06 2kdm h VAL 21 N 4.63 1.08 -3.75 0.00 -1.51 -1.99 0.56 116.25 115.27 2kdm h VAL 21 Ca -0.33 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2kdm h VAL 21 Cb 1.21 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2kdm h VAL 21 CO 0.41 0.09 0.00 -0.90 -1.23 0.00 0.00 177.57 175.94 2kdm n ASP 22 N -4.85 0.65 -0.10 4.19 5.68 -1.26 -3.50 116.55 117.37 2kdm n ASP 22 Ca -0.00 -0.75 -0.11 0.00 -0.50 0.00 0.00 54.79 53.43 2kdm n ASP 22 Cb 0.03 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.88 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kdm n ALA 23 N -3.00 1.55 -0.29 2.12 0.00 -1.26 -4.32 120.51 115.30 2kdm n ALA 23 Ca 0.00 -1.09 0.32 0.00 0.00 0.00 0.00 53.44 52.66 2kdm n ALA 23 Cb 0.00 -0.09 0.71 0.00 0.00 0.00 0.00 19.45 20.07 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 2.88 0.21 1.98 0.00 0.00 -1.99 0.96 103.07 107.11 2kdm h GLY 24 Ca -0.49 -0.03 -0.20 0.00 0.00 0.00 0.00 47.33 46.61 2kdm h GLY 24 CO -0.01 -0.02 -0.96 -0.84 0.00 0.00 0.00 176.54 174.71 2kdm h THR 25 N 0.07 1.61 0.04 4.70 2.02 -1.98 -2.64 112.91 116.73 2kdm h THR 25 Ca 0.54 -3.28 -0.22 0.00 0.77 0.00 0.00 66.41 64.22 2kdm h THR 25 Cb 2.03 2.80 0.02 0.00 -1.74 0.00 0.00 68.15 71.26 2kdm h THR 25 CO -0.06 0.92 -0.89 0.00 0.37 0.00 0.00 175.52 175.86 2kdm h ALA 26 N 1.05 0.05 0.65 6.16 0.00 0.55 -2.11 119.26 125.62 2kdm h ALA 26 Ca -0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2kdm h ALA 26 Cb 1.73 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.60 2kdm h ALA 26 CO 0.12 0.52 -0.31 1.49 0.00 0.00 0.00 179.25 181.07 2kdm h GLU 27 N 0.09 -0.84 -0.94 0.00 4.57 -0.58 0.55 114.58 117.43 2kdm h GLU 27 Ca -0.12 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2kdm h GLU 27 Cb 1.59 0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 30.30 2kdm h GLU 27 CO 0.17 -0.52 0.58 0.87 -1.18 0.00 0.00 179.01 178.93 2kdm h LYS 28 N -1.12 0.95 -0.18 1.92 1.79 -1.61 0.62 116.57 118.94 2kdm h LYS 28 Ca -0.09 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 2kdm h LYS 28 Cb 0.71 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2kdm h LYS 28 CO 0.15 0.63 -0.20 -0.92 -1.08 0.00 0.00 179.45 178.03 2kdm h TYR 29 N 0.97 0.54 -0.54 -1.35 5.03 -1.33 -2.59 116.97 117.72 2kdm h TYR 29 Ca 0.44 -0.17 -0.02 0.00 2.58 0.00 0.00 58.73 61.56 2kdm h TYR 29 Cb 0.35 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 2kdm h TYR 29 CO -0.02 0.83 0.26 0.74 -1.32 0.00 0.00 178.16 178.64 2kdm h PHE 30 N 0.11 0.77 -0.26 -3.82 -1.00 0.81 -2.01 116.94 111.54 2kdm h PHE 30 Ca 0.03 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.82 2kdm h PHE 30 Cb 0.74 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2kdm h PHE 30 CO 0.08 0.60 0.18 -0.22 -1.61 0.00 0.00 178.31 177.34 2kdm h LYS 31 N 0.72 0.11 -0.07 1.51 3.64 0.26 0.34 116.57 123.08 2kdm h LYS 31 Ca 0.18 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.33 2kdm h LYS 31 Cb 0.12 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2kdm h LYS 31 CO -0.02 0.07 -0.88 -0.07 -2.27 0.00 0.00 179.45 176.28 2kdm h LEU 32 N 0.12 0.79 0.19 5.20 3.38 -0.96 -2.56 115.31 121.46 2kdm h LEU 32 Ca 0.12 -0.57 -0.32 0.00 0.09 0.00 0.00 57.88 57.20 2kdm h LEU 32 Cb 0.32 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 40.86 2kdm h LEU 32 CO -0.01 1.36 -1.37 -0.29 0.09 0.00 0.00 178.44 178.21 2kdm h ILE 33 N 0.40 1.31 0.86 1.22 6.09 -0.89 -2.69 117.51 123.81 2kdm h ILE 33 Ca -0.08 -2.66 -0.04 0.00 -1.37 0.00 0.00 64.86 60.71 2kdm h ILE 33 Cb 1.51 2.91 0.01 0.00 0.47 0.00 0.00 36.82 41.71 2kdm h ILE 33 CO 0.17 0.80 -0.41 0.00 -3.07 0.00 0.00 178.15 175.64 2kdm h ALA 34 N 0.26 -1.15 -0.82 0.18 0.00 -0.45 0.25 119.26 117.53 2kdm h ALA 34 Ca -0.22 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.49 2kdm h ALA 34 Cb 2.06 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 20.24 2kdm h ALA 34 CO 0.26 -1.13 0.54 -0.91 0.00 0.00 0.00 179.25 178.00 2kdm h ASN 35 N -1.19 0.82 1.47 0.00 -0.26 -1.60 1.15 115.58 115.97 2kdm h ASN 35 Ca -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 2kdm h ASN 35 Cb 0.89 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 2kdm h ASN 35 CO 0.19 0.54 0.00 0.00 -1.06 0.00 0.00 177.43 177.10 2kdm h ALA 36 N 1.55 1.00 -0.11 -0.83 0.00 -1.29 -3.16 119.26 116.43 2kdm h ALA 36 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2kdm h ALA 36 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kdm h ALA 36 CO -0.12 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.76 2kdm n LYS 37 N -3.07 2.96 -3.80 0.00 5.02 0.85 -5.05 118.16 115.06 2kdm n LYS 37 Ca 0.02 -1.67 -0.04 0.00 -2.02 0.00 0.00 58.31 54.60 2kdm n LYS 37 Cb 0.41 -1.09 -0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2kdm n LYS 37 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2kdm s THR 38 N -1.01 0.00 0.00 -0.18 2.01 0.38 -4.99 115.64 111.85 2kdm s THR 38 Ca 0.07 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.41 2kdm s THR 38 Cb 0.04 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.28 2kdm s THR 38 CO 0.05 0.00 0.86 1.33 -0.69 0.00 0.00 174.62 176.17 2kdm n VAL 39 N -0.54 0.00 0.00 3.82 0.24 -1.26 -4.27 118.33 116.32 2kdm n VAL 39 Ca -0.05 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2kdm n VAL 39 Cb 0.60 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2kdm n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2kdm n GLU 40 N 0.08 0.00 0.00 7.34 4.07 -1.26 -5.17 120.64 125.69 2kdm n GLU 40 Ca -0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 2kdm n GLU 40 Cb 0.70 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.08 2kdm n GLU 40 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kdm n GLY 41 N -0.01 0.76 3.28 8.31 0.00 -1.26 -4.19 105.19 112.09 2kdm n GLY 41 Ca 0.00 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2kdm n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kdm s VAL 42 N -2.00 3.90 0.08 1.61 0.11 0.37 -4.70 120.40 119.77 2kdm s VAL 42 Ca 0.00 -1.13 -0.31 0.00 -2.93 0.00 0.00 61.98 57.61 2kdm s VAL 42 Cb 0.00 -3.23 -0.08 0.00 -1.53 0.00 0.00 36.38 31.55 2kdm s VAL 42 CO 0.00 -0.22 1.51 0.26 -3.33 0.00 0.00 175.10 173.33 2kdm s TRP 43 N 1.42 2.83 0.08 1.54 0.52 -1.24 -2.53 118.94 121.56 2kdm s TRP 43 Ca -0.01 0.65 -0.08 0.00 0.02 0.00 0.00 56.10 56.68 2kdm s TRP 43 Cb -0.20 -3.82 -0.01 0.00 -1.15 0.00 0.00 33.47 28.30 2kdm s TRP 43 CO 0.03 -3.09 0.17 0.95 0.02 0.00 0.00 176.95 175.03 2kdm s THR 44 N 1.96 0.15 -0.00 2.01 -4.23 0.19 -4.94 115.64 110.77 2kdm s THR 44 Ca 0.69 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 2kdm s THR 44 Cb -0.38 -1.34 -0.00 0.00 1.34 0.00 0.00 72.50 72.12 2kdm s THR 44 CO 0.30 -0.68 0.10 -0.47 -0.54 0.00 0.00 174.62 173.33 2kdm s TYR 45 N -3.83 0.06 -0.04 3.99 6.14 -1.26 0.13 117.35 122.54 2kdm s TYR 45 Ca 0.05 -0.14 0.07 0.00 0.64 0.00 0.00 57.07 57.69 2kdm s TYR 45 Cb 0.05 -0.06 -0.01 0.00 0.42 0.00 0.00 41.96 42.35 2kdm s TYR 45 CO -0.11 -0.22 -0.25 0.21 0.64 0.00 0.00 175.55 175.82 2kdm s LYS 46 N -1.12 2.23 -0.15 4.97 2.20 0.23 -4.96 119.74 123.14 2kdm s LYS 46 Ca -0.12 -0.89 -0.24 0.00 -0.36 0.00 0.00 55.97 54.36 2kdm s LYS 46 Cb -0.07 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 2kdm s LYS 46 CO 0.01 0.46 0.75 0.16 -0.36 0.00 0.00 175.35 176.37 2kdm s ASP 47 N -0.38 6.89 0.00 1.43 -4.77 -1.26 -2.77 116.67 115.81 2kdm s ASP 47 Ca 0.04 1.09 0.00 0.00 -3.30 0.00 0.00 52.55 50.38 2kdm s ASP 47 Cb -0.11 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2kdm s ASP 47 CO 0.01 -0.29 0.00 -1.84 0.70 0.00 0.00 175.17 173.75 2kdm n GLU 48 N 4.82 0.00 -0.60 2.11 0.28 -1.26 -4.92 120.64 121.07 2kdm n GLU 48 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.06 2kdm n GLU 48 Cb 0.50 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.43 2kdm n GLU 48 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2kdm n ILE 49 N 0.00 0.77 -2.74 3.84 -6.64 -1.26 -5.05 119.36 108.28 2kdm n ILE 49 Ca 0.00 -1.21 -0.04 0.00 -1.77 0.00 0.00 62.75 59.73 2kdm n ILE 49 Cb 0.00 0.31 0.01 0.00 -1.44 0.00 0.00 39.64 38.52 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2kdm n LYS 50 N -0.42 -2.80 -4.33 6.28 4.76 -1.26 -4.42 118.16 115.98 2kdm n LYS 50 Ca 0.08 2.37 -0.18 0.00 -2.87 0.00 0.00 58.31 57.70 2kdm n LYS 50 Cb 0.77 -5.40 -0.14 0.00 -1.84 0.00 0.00 35.03 28.42 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 -2.11 0.69 0.26 -0.18 -1.32 -1.11 -2.40 115.64 109.47 2kdm s THR 51 Ca 0.13 -0.42 0.09 0.00 -1.21 0.00 0.00 61.69 60.28 2kdm s THR 51 Cb -0.04 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.31 2kdm s THR 51 CO 0.75 0.16 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.83 2kdm s PHE 52 N -0.27 2.01 0.01 9.09 0.40 0.12 0.77 117.98 130.11 2kdm s PHE 52 Ca 0.03 -0.54 -0.10 0.00 -0.60 0.00 0.00 56.93 55.71 2kdm s PHE 52 Cb -0.04 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.48 2kdm s PHE 52 CO -0.00 0.45 0.20 0.99 0.70 0.00 0.00 175.22 177.56 2kdm s THR 53 N -2.83 0.08 -0.25 0.64 2.01 0.35 -0.57 115.64 115.08 2kdm s THR 53 Ca 0.28 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 2kdm s THR 53 Cb 0.00 -0.62 0.08 0.00 0.01 0.00 0.00 72.50 71.97 2kdm s THR 53 CO 0.12 -0.38 0.08 0.54 -0.69 0.00 0.00 174.62 174.28 2kdm s VAL 54 N -1.71 0.43 -0.16 3.82 0.11 0.11 0.53 120.40 123.54 2kdm s VAL 54 Ca -0.12 -0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 58.10 2kdm s VAL 54 Cb -0.05 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 2kdm s VAL 54 CO 0.01 -0.46 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.39 2kdm s THR 55 N 1.87 3.82 -2.69 5.04 2.01 -1.05 -0.95 115.64 123.70 2kdm s THR 55 Ca 0.04 -0.38 0.27 0.00 0.31 0.00 0.00 61.69 61.93 2kdm s THR 55 Cb -0.17 -2.67 0.42 0.00 0.01 0.00 0.00 72.50 70.08 2kdm s THR 55 CO -0.19 0.49 1.57 1.21 -0.69 0.00 0.00 174.62 177.00