#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 1.34 0.04 4.28 -1.32 -1.26 -0.13 115.64 118.60 2kdm s THR 2 Ca 0.00 -0.64 0.06 0.00 -1.21 0.00 0.00 61.69 59.90 2kdm s THR 2 Cb 0.00 -1.17 -0.02 0.00 -1.51 0.00 0.00 72.50 69.79 2kdm s THR 2 CO 0.00 0.39 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.32 2kdm s TYR 3 N 0.27 1.54 0.08 9.09 1.51 -0.80 -4.49 117.35 124.55 2kdm s TYR 3 Ca -0.08 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 2kdm s TYR 3 Cb -0.13 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2kdm s TYR 3 CO 0.03 0.07 -0.14 0.15 -1.11 0.00 0.00 175.55 174.55 2kdm s LYS 4 N -1.20 0.84 -0.06 -0.62 1.02 -1.01 -1.98 119.74 116.74 2kdm s LYS 4 Ca 0.05 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.07 2kdm s LYS 4 Cb -0.08 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.41 2kdm s LYS 4 CO 0.02 0.18 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.39 2kdm s LEU 5 N -1.81 1.43 -0.42 3.17 2.96 0.31 -0.67 118.68 123.64 2kdm s LEU 5 Ca -0.01 -0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 2kdm s LEU 5 Cb -0.09 -0.61 0.05 0.00 0.50 0.00 0.00 46.19 46.04 2kdm s LEU 5 CO 0.02 -0.03 0.30 -0.63 -1.32 0.00 0.00 176.35 174.69 2kdm s ILE 6 N 0.88 4.87 -0.32 6.68 -1.09 -0.30 -1.04 121.20 130.88 2kdm s ILE 6 Ca -0.11 -0.98 -0.16 0.00 -2.23 0.00 0.00 60.65 57.17 2kdm s ILE 6 Cb -0.15 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 2kdm s ILE 6 CO 0.01 -0.42 0.39 -0.76 -1.23 0.00 0.00 174.94 172.94 2kdm s LEU 7 N 1.59 4.28 -0.40 2.97 1.43 -0.47 -1.72 118.68 126.37 2kdm s LEU 7 Ca 0.03 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2kdm s LEU 7 Cb -0.21 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.69 2kdm s LEU 7 CO 0.07 -0.31 0.18 0.21 0.23 0.00 0.00 176.35 176.72 2kdm s ASN 8 N 1.71 5.22 0.39 2.29 2.47 -0.93 -2.19 114.94 123.91 2kdm s ASN 8 Ca 0.14 -1.94 0.08 0.00 0.42 0.00 0.00 52.86 51.56 2kdm s ASN 8 Cb -0.16 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 2kdm s ASN 8 CO 0.11 -0.51 0.51 -0.76 -3.72 0.00 0.00 177.10 172.74 2kdm s LEU 9 N 1.16 3.70 0.65 3.21 1.02 -1.22 -2.32 118.68 124.88 2kdm s LEU 9 Ca 0.07 -0.40 0.34 0.00 0.02 0.00 0.00 54.13 54.16 2kdm s LEU 9 Cb -0.22 -2.59 1.88 0.00 0.02 0.00 0.00 46.19 45.28 2kdm s LEU 9 CO -0.04 -0.65 2.09 0.07 0.02 0.00 0.00 176.35 177.85 2kdm h LYS 10 N 0.78 0.00 -2.96 1.70 2.10 -1.96 -3.38 116.57 112.85 2kdm h LYS 10 Ca -0.42 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.89 2kdm h LYS 10 Cb 1.27 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 32.23 2kdm h LYS 10 CO 0.49 0.00 -0.67 -1.14 -2.00 0.00 0.00 179.45 176.13 2kdm s GLN 11 N -4.22 0.07 0.24 0.07 0.74 -1.26 -5.10 119.66 110.19 2kdm s GLN 11 Ca -0.04 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.67 2kdm s GLN 11 Cb 0.11 -0.90 0.00 0.00 1.10 0.00 0.00 33.01 33.33 2kdm s GLN 11 CO 0.37 -0.48 0.00 0.00 -0.55 0.00 0.00 175.29 174.63 2kdm n ALA 12 N 5.31 -1.28 -2.71 1.58 0.00 -1.26 -5.00 120.51 117.14 2kdm n ALA 12 Ca -0.05 0.28 -0.25 0.00 0.00 0.00 0.00 53.44 53.42 2kdm n ALA 12 Cb 0.50 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 19.02 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 -4.08 1.57 0.26 0.00 2.20 -1.26 -3.41 119.74 115.01 2kdm s LYS 13 Ca 0.00 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 2kdm s LYS 13 Cb 0.00 -1.44 -0.05 0.00 -1.51 0.00 0.00 37.83 34.83 2kdm s LYS 13 CO 0.00 0.30 -0.10 -2.00 -0.36 0.00 0.00 175.35 173.19 2kdm s GLU 14 N -0.17 1.49 -0.03 4.03 2.12 -0.93 -5.03 118.70 120.19 2kdm s GLU 14 Ca 0.01 -1.72 0.03 0.00 0.36 0.00 0.00 54.97 53.65 2kdm s GLU 14 Cb -0.09 -1.22 0.00 0.00 0.26 0.00 0.00 34.13 33.09 2kdm s GLU 14 CO 0.01 0.12 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.52 2kdm s GLU 15 N -3.68 1.30 -0.09 4.30 2.02 -1.26 -1.36 118.70 119.93 2kdm s GLU 15 Ca 0.27 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 54.88 2kdm s GLU 15 Cb 0.01 -1.17 -0.01 0.00 0.10 0.00 0.00 34.13 33.07 2kdm s GLU 15 CO 0.11 0.15 -0.20 0.00 0.02 0.00 0.00 175.26 175.33 2kdm s ALA 16 N 0.18 2.34 0.05 5.21 0.00 -0.21 -4.96 121.76 124.38 2kdm s ALA 16 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 2kdm s ALA 16 Cb -0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 2kdm s ALA 16 CO 0.01 0.33 0.02 0.96 0.00 0.00 0.00 175.76 177.09 2kdm s ILE 17 N 0.13 0.17 -0.23 0.00 -0.00 -1.26 0.11 121.20 120.13 2kdm s ILE 17 Ca -0.10 -1.42 -0.27 0.00 -0.00 0.00 0.00 60.65 58.85 2kdm s ILE 17 Cb -0.16 -1.14 0.13 0.00 -0.00 0.00 0.00 42.46 41.29 2kdm s ILE 17 CO 0.06 -0.78 1.03 -0.75 -0.00 0.00 0.00 174.94 174.50 2kdm s LYS 18 N -3.18 0.52 -0.31 0.37 2.20 -0.84 -5.02 119.74 113.48 2kdm s LYS 18 Ca 0.00 0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.85 2kdm s LYS 18 Cb 0.02 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 2kdm s LYS 18 CO -0.07 -0.11 0.32 -1.83 -0.36 0.00 0.00 175.35 173.30 2kdm s GLU 19 N -0.37 3.76 0.02 4.03 -1.05 -1.26 -1.90 118.70 121.93 2kdm s GLU 19 Ca 0.01 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2kdm s GLU 19 Cb -0.03 -3.73 -0.02 0.00 -0.44 0.00 0.00 34.13 29.91 2kdm s GLU 19 CO -0.03 -0.38 -0.03 0.00 0.95 0.00 0.00 175.26 175.77 2kdm s ALA 20 N 1.96 0.12 0.38 -0.84 0.00 0.82 -4.98 121.76 119.22 2kdm s ALA 20 Ca 0.11 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2kdm s ALA 20 Cb -0.16 0.11 0.76 0.00 0.00 0.00 0.00 23.12 23.83 2kdm s ALA 20 CO 0.11 -0.12 2.03 0.28 0.00 0.00 0.00 175.76 178.06 2kdm h VAL 21 N 4.75 1.12 -3.62 0.00 2.07 -1.98 -2.44 116.25 116.15 2kdm h VAL 21 Ca -0.31 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2kdm h VAL 21 Cb 1.21 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2kdm h VAL 21 CO 0.43 0.13 0.00 -0.90 0.02 0.00 0.00 177.57 177.25 2kdm n ASP 22 N -4.46 1.86 -0.06 0.57 5.68 -1.26 -4.14 116.55 114.74 2kdm n ASP 22 Ca 0.05 -0.76 -0.06 0.00 -0.50 0.00 0.00 54.79 53.52 2kdm n ASP 22 Cb 0.07 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.96 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 1.73 -0.34 2.12 0.00 -1.26 -4.39 120.51 115.37 2kdm n ALA 23 Ca 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 53.44 52.92 2kdm n ALA 23 Cb 0.00 0.03 0.41 0.00 0.00 0.00 0.00 19.45 19.89 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 2.05 1.88 2.00 0.00 0.00 -1.99 0.96 103.07 107.97 2kdm h GLY 24 Ca -0.30 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 2kdm h GLY 24 CO 0.01 -0.27 -0.60 -0.84 0.00 0.00 0.00 176.54 174.84 2kdm h THR 25 N 0.53 1.15 0.09 4.70 2.02 -2.00 -2.64 112.91 116.76 2kdm h THR 25 Ca 0.66 -2.29 -0.27 0.00 0.77 0.00 0.00 66.41 65.28 2kdm h THR 25 Cb 1.32 2.34 0.01 0.00 -1.74 0.00 0.00 68.15 70.08 2kdm h THR 25 CO -0.48 0.59 -1.14 0.00 0.37 0.00 0.00 175.52 174.85 2kdm h ALA 26 N 1.40 0.15 0.62 6.16 0.00 0.35 -2.20 119.26 125.75 2kdm h ALA 26 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 2kdm h ALA 26 Cb 1.30 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2kdm h ALA 26 CO 0.08 0.82 -0.30 1.49 0.00 0.00 0.00 179.25 181.34 2kdm h GLU 27 N 0.19 -0.80 -0.81 0.00 4.81 0.44 0.16 114.58 118.57 2kdm h GLU 27 Ca -0.14 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2kdm h GLU 27 Cb 1.82 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 31.32 2kdm h GLU 27 CO 0.20 -0.53 0.49 0.87 -0.73 0.00 0.00 179.01 179.31 2kdm h LYS 28 N -1.20 0.86 -0.51 1.92 1.57 -1.61 0.71 116.57 118.30 2kdm h LYS 28 Ca -0.08 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 2kdm h LYS 28 Cb 0.64 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2kdm h LYS 28 CO 0.14 0.57 0.08 -0.92 -0.57 0.00 0.00 179.45 178.74 2kdm h TYR 29 N 0.88 0.91 -0.52 -1.35 5.03 -1.43 -0.53 116.97 119.95 2kdm h TYR 29 Ca 0.36 -0.13 -0.07 0.00 2.58 0.00 0.00 58.73 61.48 2kdm h TYR 29 Cb 0.20 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 2kdm h TYR 29 CO -0.05 0.82 0.07 0.74 -1.32 0.00 0.00 178.16 178.42 2kdm h PHE 30 N 0.73 0.94 -0.98 -3.82 -1.00 0.22 -2.53 116.94 110.49 2kdm h PHE 30 Ca 0.15 -0.14 0.04 0.00 2.81 0.00 0.00 57.97 60.83 2kdm h PHE 30 Cb 0.41 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 2kdm h PHE 30 CO 0.03 0.85 0.64 -0.22 -1.61 0.00 0.00 178.31 178.00 2kdm h LYS 31 N 0.75 1.21 -0.66 1.51 3.11 0.71 0.39 116.57 123.59 2kdm h LYS 31 Ca 0.16 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.86 2kdm h LYS 31 Cb 0.43 -0.27 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 2kdm h LYS 31 CO 0.01 0.80 0.17 -0.07 -2.81 0.00 0.00 179.45 177.55 2kdm h LEU 32 N 1.24 0.98 0.09 5.20 3.38 -0.75 0.57 115.31 126.02 2kdm h LEU 32 Ca 0.39 -0.20 -0.26 0.00 0.09 0.00 0.00 57.88 57.91 2kdm h LEU 32 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2kdm h LEU 32 CO -0.12 0.94 -1.18 -0.29 0.09 0.00 0.00 178.44 177.89 2kdm h ILE 33 N 0.99 1.56 0.41 1.22 6.09 -0.99 -2.66 117.51 124.13 2kdm h ILE 33 Ca 0.21 -3.17 -0.02 0.00 -1.37 0.00 0.00 64.86 60.51 2kdm h ILE 33 Cb 0.34 2.92 0.00 0.00 0.47 0.00 0.00 36.82 40.55 2kdm h ILE 33 CO -0.00 0.92 -0.20 0.00 -3.07 0.00 0.00 178.15 175.80 2kdm h ALA 34 N 0.70 -0.70 -0.72 0.18 0.00 -0.06 -2.04 119.26 116.62 2kdm h ALA 34 Ca -0.10 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kdm h ALA 34 Cb 1.91 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 2kdm h ALA 34 CO 0.18 -0.66 0.48 -0.97 0.00 0.00 0.00 179.25 178.28 2kdm h ASN 35 N -0.89 0.50 0.88 0.00 -0.00 -0.98 1.05 115.58 116.14 2kdm h ASN 35 Ca -0.06 0.02 -0.04 0.00 -0.00 0.00 0.00 56.30 56.21 2kdm h ASN 35 Cb 0.42 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 2kdm h ASN 35 CO 0.09 0.29 -0.21 0.00 -0.00 0.00 0.00 177.43 177.60 2kdm h ALA 36 N 1.64 1.04 -0.01 1.57 0.00 -1.50 -3.06 119.26 118.93 2kdm h ALA 36 Ca 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kdm h ALA 36 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kdm h ALA 36 CO -0.12 0.27 -0.08 1.63 0.00 0.00 0.00 179.25 180.95 2kdm n LYS 37 N -3.40 1.06 -3.75 0.00 4.76 0.22 -5.04 118.16 112.00 2kdm n LYS 37 Ca -0.00 -0.93 -0.06 0.00 -2.87 0.00 0.00 58.31 54.45 2kdm n LYS 37 Cb 0.41 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.43 2kdm n LYS 37 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kdm s THR 38 N -1.05 0.00 -0.23 -0.18 2.01 0.34 -5.04 115.64 111.49 2kdm s THR 38 Ca 0.11 -0.69 0.18 0.00 0.31 0.00 0.00 61.69 61.59 2kdm s THR 38 Cb 0.08 -1.86 0.42 0.00 0.01 0.00 0.00 72.50 71.16 2kdm s THR 38 CO 0.17 0.00 1.26 0.52 -0.69 0.00 0.00 174.62 175.88 2kdm n VAL 39 N -0.44 0.57 -3.64 3.82 0.31 -1.26 -3.82 118.33 113.86 2kdm n VAL 39 Ca -0.06 -1.77 0.02 0.00 -0.01 0.00 0.00 64.34 62.51 2kdm n VAL 39 Cb 0.60 1.09 -0.06 0.00 -0.91 0.00 0.00 33.84 34.57 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 -1.67 0.10 0.00 5.55 2.12 -1.26 -5.16 118.70 118.38 2kdm s GLU 40 Ca 0.19 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2kdm s GLU 40 Cb 0.34 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2kdm s GLU 40 CO -0.08 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2kdm n GLY 41 N 3.22 1.28 3.37 -1.50 0.00 -1.26 -4.04 105.19 106.27 2kdm n GLY 41 Ca -0.17 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 4.58 0.07 1.61 -7.23 0.34 -4.67 120.40 113.10 2kdm s VAL 42 Ca 0.00 -0.88 -0.31 0.00 -1.81 0.00 0.00 61.98 58.99 2kdm s VAL 42 Cb 0.00 -3.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.30 2kdm s VAL 42 CO 0.00 -0.25 1.42 0.26 -0.31 0.00 0.00 175.10 176.22 2kdm s TRP 43 N 1.55 3.01 0.10 2.82 0.52 -1.24 -2.67 118.94 123.03 2kdm s TRP 43 Ca 0.02 0.84 -0.14 0.00 0.02 0.00 0.00 56.10 56.84 2kdm s TRP 43 Cb -0.19 -3.70 0.02 0.00 -1.15 0.00 0.00 33.47 28.45 2kdm s TRP 43 CO 0.07 -2.55 0.33 0.95 0.02 0.00 0.00 176.95 175.77 2kdm s THR 44 N 1.76 0.09 -0.01 2.01 -4.23 0.10 -4.95 115.64 110.41 2kdm s THR 44 Ca 0.65 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 2kdm s THR 44 Cb -0.35 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.34 2kdm s THR 44 CO 0.29 -0.40 0.10 -0.47 -0.54 0.00 0.00 174.62 173.60 2kdm s TYR 45 N -3.49 0.02 -0.12 3.99 6.14 -1.26 0.12 117.35 122.75 2kdm s TYR 45 Ca 0.01 -0.05 -0.00 0.00 0.64 0.00 0.00 57.07 57.68 2kdm s TYR 45 Cb 0.02 -0.04 -0.02 0.00 0.42 0.00 0.00 41.96 42.34 2kdm s TYR 45 CO -0.09 -0.19 -0.11 0.21 0.64 0.00 0.00 175.55 176.00 2kdm s LYS 46 N -0.89 3.25 -0.34 4.97 2.47 0.26 -4.96 119.74 124.50 2kdm s LYS 46 Ca -0.10 -0.65 -0.21 0.00 -1.56 0.00 0.00 55.97 53.45 2kdm s LYS 46 Cb -0.06 -2.64 0.00 0.00 -1.46 0.00 0.00 37.83 33.68 2kdm s LYS 46 CO 0.01 0.31 0.68 0.34 0.16 0.00 0.00 175.35 176.85 2kdm s ASP 47 N 0.10 6.50 0.00 1.43 -1.08 -1.26 -2.77 116.67 119.59 2kdm s ASP 47 Ca -0.05 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.30 2kdm s ASP 47 Cb -0.14 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2kdm s ASP 47 CO 0.04 -0.59 0.00 -1.84 0.52 0.00 0.00 175.17 173.30 2kdm n GLU 48 N 6.10 0.00 -0.11 4.34 -0.00 -1.26 -4.91 120.64 124.80 2kdm n GLU 48 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.16 57.23 2kdm n GLU 48 Cb 0.49 0.00 0.12 0.00 -0.00 0.00 0.00 31.44 32.04 2kdm n GLU 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2kdm n ILE 49 N 0.00 1.65 -2.77 3.84 5.41 -1.26 -5.04 119.36 121.19 2kdm n ILE 49 Ca 0.00 -1.81 -0.02 0.00 1.00 0.00 0.00 62.75 61.93 2kdm n ILE 49 Cb 0.00 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 -0.95 -3.19 -3.87 0.38 4.01 -1.25 -4.59 118.16 108.70 2kdm n LYS 50 Ca 0.12 2.60 -0.11 0.00 -0.51 0.00 0.00 58.31 60.41 2kdm n LYS 50 Cb 0.56 -5.25 -0.12 0.00 -0.51 0.00 0.00 35.03 29.71 2kdm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2kdm s THR 51 N -1.78 0.04 0.16 -0.18 2.01 -1.12 -2.39 115.64 112.39 2kdm s THR 51 Ca 0.05 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.78 2kdm s THR 51 Cb -0.01 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 2kdm s THR 51 CO 0.75 -0.18 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.99 2kdm s PHE 52 N -0.58 1.57 0.01 4.92 0.40 0.15 0.91 117.98 125.35 2kdm s PHE 52 Ca -0.07 -0.56 -0.10 0.00 -0.60 0.00 0.00 56.93 55.60 2kdm s PHE 52 Cb -0.04 -0.78 0.01 0.00 0.51 0.00 0.00 43.02 42.72 2kdm s PHE 52 CO 0.00 0.24 0.20 0.99 0.70 0.00 0.00 175.22 177.35 2kdm s THR 53 N -2.50 0.08 -0.26 0.64 2.01 0.33 -1.15 115.64 114.79 2kdm s THR 53 Ca 0.15 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 2kdm s THR 53 Cb -0.03 -0.58 0.09 0.00 0.01 0.00 0.00 72.50 71.98 2kdm s THR 53 CO 0.05 -0.37 0.09 0.54 -0.69 0.00 0.00 174.62 174.23 2kdm s VAL 54 N -1.61 0.42 -0.17 3.82 0.11 -0.70 0.01 120.40 122.26 2kdm s VAL 54 Ca -0.13 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 57.99 2kdm s VAL 54 Cb -0.06 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2kdm s VAL 54 CO 0.01 -0.53 0.02 -0.89 -3.33 0.00 0.00 175.10 170.38 2kdm s THR 55 N 1.87 4.37 -2.50 5.04 2.01 -1.09 -2.18 115.64 123.16 2kdm s THR 55 Ca 0.06 -0.18 0.28 0.00 0.31 0.00 0.00 61.69 62.15 2kdm s THR 55 Cb -0.17 -2.95 0.55 0.00 0.01 0.00 0.00 72.50 69.94 2kdm s THR 55 CO -0.23 0.47 1.75 1.21 -0.69 0.00 0.00 174.62 177.13