#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 5.15 0.08 4.28 -1.32 -1.26 -2.13 115.64 120.44 2kdm s THR 2 Ca 0.00 0.75 0.07 0.00 -1.21 0.00 0.00 61.69 61.30 2kdm s THR 2 Cb 0.00 -3.69 -0.03 0.00 -1.51 0.00 0.00 72.50 67.27 2kdm s THR 2 CO 0.00 0.50 -0.19 -0.31 -2.21 0.00 0.00 174.62 172.41 2kdm s TYR 3 N -0.45 1.63 0.06 9.09 1.51 -0.96 -4.64 117.35 123.58 2kdm s TYR 3 Ca 0.22 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2kdm s TYR 3 Cb -0.15 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2kdm s TYR 3 CO 0.10 0.14 -0.11 0.15 -1.11 0.00 0.00 175.55 174.72 2kdm s LYS 4 N -1.68 0.69 -0.06 -0.62 1.02 -1.03 -2.31 119.74 115.75 2kdm s LYS 4 Ca 0.04 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.19 2kdm s LYS 4 Cb -0.10 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 2kdm s LYS 4 CO 0.03 0.13 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.35 2kdm s LEU 5 N -1.62 1.35 -0.43 3.17 2.96 0.33 -0.13 118.68 124.31 2kdm s LEU 5 Ca -0.05 -0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.53 2kdm s LEU 5 Cb -0.10 -0.60 0.05 0.00 0.50 0.00 0.00 46.19 46.04 2kdm s LEU 5 CO 0.01 -0.04 0.31 -0.63 -1.32 0.00 0.00 176.35 174.68 2kdm s ILE 6 N 1.00 4.94 -0.28 6.68 -1.09 0.21 -0.77 121.20 131.89 2kdm s ILE 6 Ca -0.09 -0.97 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 2kdm s ILE 6 Cb -0.14 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 2kdm s ILE 6 CO -0.00 -0.42 0.27 -0.76 -1.23 0.00 0.00 174.94 172.79 2kdm s LEU 7 N 1.60 4.07 -0.32 2.97 1.43 -0.38 -1.07 118.68 126.98 2kdm s LEU 7 Ca 0.04 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2kdm s LEU 7 Cb -0.22 -2.24 0.10 0.00 0.03 0.00 0.00 46.19 43.86 2kdm s LEU 7 CO 0.07 -0.12 0.06 0.21 0.23 0.00 0.00 176.35 176.79 2kdm s ASN 8 N 1.72 4.49 0.54 2.29 3.04 -0.72 -2.33 114.94 123.97 2kdm s ASN 8 Ca 0.10 -1.94 0.03 0.00 0.04 0.00 0.00 52.86 51.09 2kdm s ASN 8 Cb -0.16 -1.37 0.02 0.00 -1.54 0.00 0.00 41.25 38.20 2kdm s ASN 8 CO 0.11 -0.38 0.22 -1.48 -3.04 0.00 0.00 177.10 172.53 2kdm s LEU 9 N 1.15 2.45 -0.17 3.21 2.34 -1.26 -2.32 118.68 124.09 2kdm s LEU 9 Ca 0.09 -1.47 -0.06 0.00 0.06 0.00 0.00 54.13 52.76 2kdm s LEU 9 Cb -0.18 -0.94 -0.18 0.00 -0.56 0.00 0.00 46.19 44.33 2kdm s LEU 9 CO -0.13 -1.03 3.39 1.17 -1.06 0.00 0.00 176.35 178.68 2kdm n LYS 10 N -1.57 2.17 0.00 1.48 0.00 -1.26 -4.31 118.16 114.67 2kdm n LYS 10 Ca -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 58.31 56.82 2kdm n LYS 10 Cb 0.66 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.62 2kdm n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2kdm n GLN 11 N 2.12 0.00 -1.03 1.64 0.00 -1.26 -5.15 117.38 113.71 2kdm n GLN 11 Ca 0.46 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.59 2kdm n GLN 11 Cb 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.99 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kdm n ALA 12 N 0.00 -2.68 -2.38 1.69 0.00 -1.26 -4.93 120.51 110.95 2kdm n ALA 12 Ca 0.00 0.53 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 2kdm n ALA 12 Cb 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.09 2.22 0.02 0.00 2.20 -1.26 -3.99 119.74 115.85 2kdm s LYS 13 Ca 0.00 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.78 2kdm s LYS 13 Cb 0.00 -2.16 -0.02 0.00 -1.51 0.00 0.00 37.83 34.14 2kdm s LYS 13 CO 0.00 0.58 -0.11 -1.21 -0.36 0.00 0.00 175.35 174.25 2kdm s GLU 14 N -0.74 0.79 -0.05 4.03 2.02 -0.99 -5.05 118.70 118.72 2kdm s GLU 14 Ca 0.11 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.58 2kdm s GLU 14 Cb -0.10 -0.76 -0.02 0.00 0.10 0.00 0.00 34.13 33.35 2kdm s GLU 14 CO 0.00 0.19 -0.22 -1.21 0.02 0.00 0.00 175.26 174.04 2kdm s GLU 15 N -0.81 2.45 -0.05 1.61 2.02 -1.26 -1.25 118.70 121.41 2kdm s GLU 15 Ca 0.01 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2kdm s GLU 15 Cb -0.06 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2kdm s GLU 15 CO 0.00 0.49 -0.19 0.00 0.02 0.00 0.00 175.26 175.58 2kdm s ALA 16 N -0.43 2.43 0.02 5.21 0.00 0.05 -4.96 121.76 124.09 2kdm s ALA 16 Ca 0.04 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 2kdm s ALA 16 Cb -0.12 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.21 2kdm s ALA 16 CO 0.01 0.49 0.38 0.96 0.00 0.00 0.00 175.76 177.61 2kdm s ILE 17 N -0.48 0.06 -0.25 0.00 -4.36 -1.26 0.12 121.20 115.03 2kdm s ILE 17 Ca 0.06 -0.47 -0.26 0.00 -0.26 0.00 0.00 60.65 59.72 2kdm s ILE 17 Cb -0.12 -0.86 0.13 0.00 1.25 0.00 0.00 42.46 42.86 2kdm s ILE 17 CO 0.01 -0.26 1.05 -0.75 0.24 0.00 0.00 174.94 175.23 2kdm s LYS 18 N -2.07 0.50 -0.37 0.37 2.20 -0.98 -5.03 119.74 114.35 2kdm s LYS 18 Ca -0.08 0.45 -0.11 0.00 -0.36 0.00 0.00 55.97 55.87 2kdm s LYS 18 Cb -0.02 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.56 2kdm s LYS 18 CO 0.00 -0.09 0.22 -1.21 -0.36 0.00 0.00 175.35 173.91 2kdm s GLU 19 N -0.12 2.90 0.46 4.03 2.02 -1.26 -2.27 118.70 124.45 2kdm s GLU 19 Ca 0.02 -1.03 0.03 0.00 0.02 0.00 0.00 54.97 54.01 2kdm s GLU 19 Cb -0.04 -3.75 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 2kdm s GLU 19 CO -0.05 -0.68 0.05 0.00 0.02 0.00 0.00 175.26 174.61 2kdm s ALA 20 N 1.58 3.53 -0.51 5.21 0.00 -0.90 -4.95 121.76 125.71 2kdm s ALA 20 Ca 0.03 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2kdm s ALA 20 Cb -0.19 0.33 0.50 0.00 0.00 0.00 0.00 23.12 23.77 2kdm s ALA 20 CO 0.07 -0.16 1.31 0.28 0.00 0.00 0.00 175.76 177.26 2kdm n VAL 21 N -1.09 1.78 -3.36 0.00 0.31 -1.26 -0.98 118.33 113.74 2kdm n VAL 21 Ca -0.13 -0.90 0.00 0.00 -0.01 0.00 0.00 64.34 63.30 2kdm n VAL 21 Cb 0.66 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 2kdm n VAL 21 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2kdm n ASP 22 N 0.31 0.00 -0.07 4.52 2.03 -1.26 -4.86 116.55 117.22 2kdm n ASP 22 Ca 0.19 -0.55 -0.08 0.00 0.52 0.00 0.00 54.79 54.87 2kdm n ASP 22 Cb 0.88 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.20 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kdm n ALA 23 N -3.00 1.70 -0.28 -1.67 0.00 -1.26 -4.39 120.51 111.60 2kdm n ALA 23 Ca 0.00 -0.69 0.31 0.00 0.00 0.00 0.00 53.44 53.05 2kdm n ALA 23 Cb 0.00 0.09 0.70 0.00 0.00 0.00 0.00 19.45 20.23 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 1.66 0.23 1.97 0.00 0.00 -1.99 0.97 103.07 105.92 2kdm h GLY 24 Ca -0.32 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2kdm h GLY 24 CO -0.02 -0.02 -0.82 -0.84 0.00 0.00 0.00 176.54 174.83 2kdm h THR 25 N 0.08 1.36 0.04 4.70 2.02 -1.99 -2.64 112.91 116.47 2kdm h THR 25 Ca 0.53 -2.93 -0.27 0.00 0.77 0.00 0.00 66.41 64.51 2kdm h THR 25 Cb 1.95 2.67 0.02 0.00 -1.74 0.00 0.00 68.15 71.05 2kdm h THR 25 CO -0.06 0.78 -1.09 0.00 0.37 0.00 0.00 175.52 175.51 2kdm h ALA 26 N 1.20 0.13 0.48 6.16 0.00 0.63 -2.22 119.26 125.63 2kdm h ALA 26 Ca -0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 2kdm h ALA 26 Cb 1.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2kdm h ALA 26 CO 0.10 0.72 -0.23 1.49 0.00 0.00 0.00 179.25 181.33 2kdm h GLU 27 N 0.33 -0.62 -0.72 0.00 4.81 -0.84 0.33 114.58 117.86 2kdm h GLU 27 Ca -0.14 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.26 2kdm h GLU 27 Cb 1.75 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 31.22 2kdm h GLU 27 CO 0.21 -0.42 0.48 0.87 -0.73 0.00 0.00 179.01 179.42 2kdm h LYS 28 N -1.05 0.46 0.02 1.92 1.57 -1.62 0.68 116.57 118.55 2kdm h LYS 28 Ca -0.07 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2kdm h LYS 28 Cb 0.50 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2kdm h LYS 28 CO 0.11 0.30 -0.72 -0.92 -0.57 0.00 0.00 179.45 177.65 2kdm h TYR 29 N 0.47 0.68 -0.60 -1.35 5.03 -1.42 -2.60 116.97 117.19 2kdm h TYR 29 Ca 0.35 -0.39 -0.05 0.00 2.58 0.00 0.00 58.73 61.22 2kdm h TYR 29 Cb 0.70 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.89 2kdm h TYR 29 CO -0.00 1.22 0.20 0.74 -1.32 0.00 0.00 178.16 179.00 2kdm h PHE 30 N -0.05 0.96 -0.74 -3.82 -1.00 0.68 -2.41 116.94 110.57 2kdm h PHE 30 Ca -0.10 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.59 2kdm h PHE 30 Cb 1.44 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.68 2kdm h PHE 30 CO 0.14 0.79 0.47 -0.22 -1.61 0.00 0.00 178.31 177.89 2kdm h LYS 31 N 0.86 0.98 -0.53 1.51 3.11 0.28 0.17 116.57 122.95 2kdm h LYS 31 Ca 0.20 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.89 2kdm h LYS 31 Cb 0.27 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.26 2kdm h LYS 31 CO -0.01 0.66 0.02 -0.07 -2.81 0.00 0.00 179.45 177.24 2kdm h LEU 32 N 1.01 0.85 0.02 5.20 3.38 -1.03 0.10 115.31 124.84 2kdm h LEU 32 Ca 0.27 -0.21 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 2kdm h LEU 32 Cb -0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2kdm h LEU 32 CO -0.06 0.90 -1.07 -0.29 0.09 0.00 0.00 178.44 178.02 2kdm h ILE 33 N 0.82 1.64 0.39 1.22 6.09 -1.01 -2.65 117.51 124.02 2kdm h ILE 33 Ca 0.16 -3.28 -0.02 0.00 -1.37 0.00 0.00 64.86 60.35 2kdm h ILE 33 Cb 0.46 2.86 0.00 0.00 0.47 0.00 0.00 36.82 40.62 2kdm h ILE 33 CO 0.02 0.94 -0.19 0.00 -3.07 0.00 0.00 178.15 175.86 2kdm h ALA 34 N 0.87 -0.53 -0.74 0.18 0.00 -0.48 -0.96 119.26 117.60 2kdm h ALA 34 Ca -0.05 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.84 2kdm h ALA 34 Cb 1.82 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 2kdm h ALA 34 CO 0.15 -0.50 0.49 -0.97 0.00 0.00 0.00 179.25 178.42 2kdm h ASN 35 N -1.10 0.57 0.65 0.00 -0.00 -0.79 0.83 115.58 115.74 2kdm h ASN 35 Ca -0.05 0.01 -0.16 0.00 -0.00 0.00 0.00 56.30 56.11 2kdm h ASN 35 Cb 0.40 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.59 2kdm h ASN 35 CO 0.09 0.34 -0.72 0.00 -0.00 0.00 0.00 177.43 177.14 2kdm h ALA 36 N 1.63 0.79 0.07 1.57 0.00 -1.53 -3.24 119.26 118.54 2kdm h ALA 36 Ca 0.34 -0.65 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 2kdm h ALA 36 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2kdm h ALA 36 CO -0.12 0.87 -1.49 0.87 0.00 0.00 0.00 179.25 179.38 2kdm h LYS 37 N 0.04 0.14 0.00 0.00 1.57 0.35 -3.50 116.57 115.17 2kdm h LYS 37 Ca -0.01 -0.25 0.16 0.00 -1.87 0.00 0.00 60.65 58.68 2kdm h LYS 37 Cb 1.27 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 2kdm h LYS 37 CO 0.10 0.95 0.49 0.25 -0.57 0.00 0.00 179.45 180.67 2kdm n THR 38 N -3.34 0.00 -2.81 -0.16 -2.24 0.27 -5.07 114.28 100.93 2kdm n THR 38 Ca -0.14 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2kdm n THR 38 Cb 1.03 0.46 0.06 0.00 -2.10 0.00 0.00 70.33 69.77 2kdm n THR 38 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kdm n VAL 39 N -0.54 0.17 -3.40 2.28 3.14 -1.26 -3.31 118.33 115.41 2kdm n VAL 39 Ca 0.01 -2.54 0.02 0.00 -2.96 0.00 0.00 64.34 58.86 2kdm n VAL 39 Cb 0.39 0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 33.92 2kdm n VAL 39 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kdm s GLU 40 N -1.08 0.41 0.00 1.45 2.02 -1.26 -5.15 118.70 115.08 2kdm s GLU 40 Ca 0.27 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.20 2kdm s GLU 40 Cb 0.37 0.56 0.00 0.00 0.10 0.00 0.00 34.13 35.15 2kdm s GLU 40 CO -0.05 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2kdm n GLY 41 N 5.26 0.94 3.42 -1.39 0.00 -1.26 -4.09 105.19 108.07 2kdm n GLY 41 Ca -0.08 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 4.83 -0.48 1.61 -7.23 0.34 -4.66 120.40 112.81 2kdm s VAL 42 Ca 0.00 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.17 2kdm s VAL 42 Cb 0.00 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 2kdm s VAL 42 CO 0.00 -0.22 1.65 0.26 -0.31 0.00 0.00 175.10 176.48 2kdm s TRP 43 N 1.61 1.99 0.19 2.82 0.52 -1.23 -2.61 118.94 122.22 2kdm s TRP 43 Ca 0.03 0.64 0.10 0.00 0.02 0.00 0.00 56.10 56.89 2kdm s TRP 43 Cb -0.19 -4.22 -0.04 0.00 -1.15 0.00 0.00 33.47 27.87 2kdm s TRP 43 CO 0.08 -2.36 -0.20 0.95 0.02 0.00 0.00 176.95 175.43 2kdm s THR 44 N 7.02 2.05 -0.03 2.01 -4.23 0.20 -4.92 115.64 117.75 2kdm s THR 44 Ca 0.66 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2kdm s THR 44 Cb -0.15 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.71 2kdm s THR 44 CO 0.28 -0.27 0.11 -0.47 -0.54 0.00 0.00 174.62 173.73 2kdm s TYR 45 N -2.00 -0.05 0.03 3.99 6.14 -1.26 0.15 117.35 124.35 2kdm s TYR 45 Ca 0.19 0.12 0.06 0.00 0.64 0.00 0.00 57.07 58.08 2kdm s TYR 45 Cb -0.06 -0.00 -0.03 0.00 0.42 0.00 0.00 41.96 42.28 2kdm s TYR 45 CO 0.08 -0.13 -0.15 0.15 0.64 0.00 0.00 175.55 176.14 2kdm s LYS 46 N -0.46 2.20 0.00 4.97 1.02 0.16 -4.97 119.74 122.66 2kdm s LYS 46 Ca -0.05 -0.91 0.23 0.00 0.02 0.00 0.00 55.97 55.26 2kdm s LYS 46 Cb -0.03 -2.26 0.14 0.00 -0.52 0.00 0.00 37.83 35.15 2kdm s LYS 46 CO 0.00 0.56 1.16 -3.47 -0.92 0.00 0.00 175.35 172.68 2kdm n ASP 47 N 1.58 0.92 -0.05 2.83 2.03 -1.26 -2.35 116.55 120.25 2kdm n ASP 47 Ca -0.16 -0.77 0.09 0.00 0.52 0.00 0.00 54.79 54.47 2kdm n ASP 47 Cb 0.52 0.61 0.47 0.00 -0.72 0.00 0.00 41.12 42.00 2kdm n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2kdm h GLU 48 N 0.33 0.45 -0.01 -0.67 3.07 -1.96 -3.34 114.58 112.45 2kdm h GLU 48 Ca 0.00 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 2kdm h GLU 48 Cb 0.53 -0.10 -0.16 0.00 -0.84 0.00 0.00 28.75 28.18 2kdm h GLU 48 CO 0.00 0.30 -0.35 0.44 -1.40 0.00 0.00 179.01 178.00 2kdm n ILE 49 N -4.47 0.03 -3.02 3.13 -5.35 -1.26 -5.08 119.36 103.34 2kdm n ILE 49 Ca 0.07 -0.40 -0.04 0.00 -0.27 0.00 0.00 62.75 62.12 2kdm n ILE 49 Cb 0.25 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 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 -0.40 -1.77 -3.69 6.28 4.76 -1.15 -4.68 118.16 117.51 2kdm n LYS 50 Ca -0.22 1.68 -0.11 0.00 -2.87 0.00 0.00 58.31 56.79 2kdm n LYS 50 Cb 0.78 -3.05 -0.10 0.00 -1.84 0.00 0.00 35.03 30.82 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 -1.39 -0.01 0.28 -0.18 2.01 -0.99 -2.47 115.64 112.89 2kdm s THR 51 Ca 0.05 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.18 2kdm s THR 51 Cb -0.01 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 2kdm s THR 51 CO 0.42 0.02 0.10 -0.36 -0.69 0.00 0.00 174.62 174.12 2kdm s PHE 52 N 1.07 2.83 0.02 4.92 0.40 0.82 0.40 117.98 128.43 2kdm s PHE 52 Ca -0.07 -0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 55.94 2kdm s PHE 52 Cb -0.06 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.09 2kdm s PHE 52 CO -0.10 0.50 0.20 0.99 0.70 0.00 0.00 175.22 177.52 2kdm s THR 53 N -2.29 0.09 -0.28 0.64 2.01 0.41 -0.62 115.64 115.60 2kdm s THR 53 Ca 0.34 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 2kdm s THR 53 Cb -0.06 -0.70 0.09 0.00 0.01 0.00 0.00 72.50 71.84 2kdm s THR 53 CO 0.22 -0.41 0.10 0.54 -0.69 0.00 0.00 174.62 174.38 2kdm s VAL 54 N -1.94 0.52 -0.19 3.82 0.11 -0.23 0.63 120.40 123.12 2kdm s VAL 54 Ca -0.10 -1.05 -0.06 0.00 -2.93 0.00 0.00 61.98 57.84 2kdm s VAL 54 Cb -0.04 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 2kdm s VAL 54 CO -0.00 -0.61 0.03 -0.89 -3.33 0.00 0.00 175.10 170.29 2kdm s THR 55 N 1.81 4.36 -2.70 5.04 2.01 -1.07 -1.75 115.64 123.34 2kdm s THR 55 Ca 0.08 -0.18 0.26 0.00 0.31 0.00 0.00 61.69 62.16 2kdm s THR 55 Cb -0.17 -2.97 0.40 0.00 0.01 0.00 0.00 72.50 69.78 2kdm s THR 55 CO -0.26 0.44 1.55 1.21 -0.69 0.00 0.00 174.62 176.87