#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 5.28 0.10 4.28 -1.32 -1.26 -1.22 115.64 121.50 2kdm s THR 2 Ca 0.00 0.61 0.09 0.00 -1.21 0.00 0.00 61.69 61.18 2kdm s THR 2 Cb 0.00 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.30 2kdm s THR 2 CO 0.00 0.40 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.32 2kdm s TYR 3 N 0.32 2.54 0.07 9.09 1.51 -0.82 -4.59 117.35 125.47 2kdm s TYR 3 Ca 0.18 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.03 2kdm s TYR 3 Cb -0.13 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 2kdm s TYR 3 CO 0.05 0.36 -0.15 0.15 -1.11 0.00 0.00 175.55 174.86 2kdm s LYS 4 N -2.02 0.84 -0.03 -0.62 1.02 -1.01 -2.22 119.74 115.70 2kdm s LYS 4 Ca 0.17 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2kdm s LYS 4 Cb -0.11 -0.87 0.01 0.00 -0.52 0.00 0.00 37.83 36.35 2kdm s LYS 4 CO 0.09 0.19 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.47 2kdm s LEU 5 N -1.74 1.67 -0.35 3.17 2.96 0.17 -0.39 118.68 124.17 2kdm s LEU 5 Ca -0.01 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2kdm s LEU 5 Cb -0.10 -0.51 0.05 0.00 0.50 0.00 0.00 46.19 46.13 2kdm s LEU 5 CO 0.02 0.03 0.12 -0.63 -1.32 0.00 0.00 176.35 174.57 2kdm s ILE 6 N 0.40 3.70 -0.18 6.68 1.09 -0.33 -1.36 121.20 131.20 2kdm s ILE 6 Ca -0.06 -1.27 -0.07 0.00 -1.10 0.00 0.00 60.65 58.14 2kdm s ILE 6 Cb -0.10 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.10 2kdm s ILE 6 CO 0.01 -0.25 0.07 -0.76 -0.10 0.00 0.00 174.94 173.91 2kdm s LEU 7 N 1.37 3.89 -0.27 2.97 1.43 -0.94 -1.11 118.68 126.01 2kdm s LEU 7 Ca -0.01 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 2kdm s LEU 7 Cb -0.20 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.12 2kdm s LEU 7 CO 0.02 0.20 0.02 0.21 0.23 0.00 0.00 176.35 177.02 2kdm s ASN 8 N 0.21 3.98 0.54 2.29 3.04 -0.96 -2.17 114.94 121.87 2kdm s ASN 8 Ca 0.05 -1.45 0.04 0.00 0.04 0.00 0.00 52.86 51.54 2kdm s ASN 8 Cb -0.12 -1.12 0.03 0.00 -1.54 0.00 0.00 41.25 38.50 2kdm s ASN 8 CO 0.00 -0.32 0.32 -1.48 -3.04 0.00 0.00 177.10 172.58 2kdm s LEU 9 N 1.41 2.58 -1.46 3.21 2.34 -0.90 -2.23 118.68 123.62 2kdm s LEU 9 Ca 0.02 -1.36 -0.11 0.00 0.06 0.00 0.00 54.13 52.74 2kdm s LEU 9 Cb -0.18 -1.06 -0.05 0.00 -0.56 0.00 0.00 46.19 44.34 2kdm s LEU 9 CO -0.12 -1.07 2.61 0.29 -1.06 0.00 0.00 176.35 177.00 2kdm n LYS 10 N -1.67 3.18 0.01 1.48 5.02 -1.26 -3.56 118.16 121.36 2kdm n LYS 10 Ca -0.06 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.00 2kdm n LYS 10 Cb 0.65 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 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 4.57 0.00 -1.07 1.97 6.02 -1.26 -5.16 117.38 122.44 2kdm n GLN 11 Ca 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 2kdm n GLN 11 Cb 0.28 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.54 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 -2.47 0.00 -3.70 -1.58 0.00 -1.23 -5.16 120.51 106.36 2kdm n ALA 12 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 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 -1.87 1.53 -0.15 0.00 0.00 -1.26 -2.13 119.74 115.87 2kdm s LYS 13 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 55.97 55.66 2kdm s LYS 13 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 37.83 36.37 2kdm s LYS 13 CO 0.00 -0.14 -0.13 -2.00 0.00 0.00 0.00 175.35 173.09 2kdm s GLU 14 N 1.23 3.33 -0.23 1.78 2.56 -0.92 -4.96 118.70 121.50 2kdm s GLU 14 Ca -0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 54.97 54.13 2kdm s GLU 14 Cb -0.14 -2.68 -0.05 0.00 2.00 0.00 0.00 34.13 33.27 2kdm s GLU 14 CO -0.03 0.10 0.15 -1.21 -0.56 0.00 0.00 175.26 173.71 2kdm s GLU 15 N 0.63 4.10 -0.14 4.30 2.02 -1.26 -2.22 118.70 126.12 2kdm s GLU 15 Ca -0.07 -0.26 -0.03 0.00 0.02 0.00 0.00 54.97 54.63 2kdm s GLU 15 Cb -0.15 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 2kdm s GLU 15 CO 0.03 0.13 -0.05 0.00 0.02 0.00 0.00 175.26 175.39 2kdm s ALA 16 N 0.85 2.98 0.03 5.21 0.00 -0.46 -4.92 121.76 125.44 2kdm s ALA 16 Ca 0.07 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2kdm s ALA 16 Cb -0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2kdm s ALA 16 CO 0.03 0.26 -0.04 0.96 0.00 0.00 0.00 175.76 176.96 2kdm s ILE 17 N 0.22 0.24 -0.23 0.00 -0.00 -1.26 0.46 121.20 120.63 2kdm s ILE 17 Ca -0.03 -0.96 -0.27 0.00 -0.00 0.00 0.00 60.65 59.39 2kdm s ILE 17 Cb -0.14 -0.36 0.13 0.00 -0.00 0.00 0.00 42.46 42.08 2kdm s ILE 17 CO 0.03 -0.47 1.04 -0.75 -0.00 0.00 0.00 174.94 174.79 2kdm s LYS 18 N -1.50 0.52 -0.21 0.37 2.47 -0.94 -5.02 119.74 115.43 2kdm s LYS 18 Ca -0.14 0.38 -0.14 0.00 -1.56 0.00 0.00 55.97 54.51 2kdm s LYS 18 Cb -0.10 0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 2kdm s LYS 18 CO -0.01 -0.11 0.32 -2.00 0.16 0.00 0.00 175.35 173.71 2kdm s GLU 19 N -0.35 4.16 0.08 4.03 2.12 -1.26 -1.94 118.70 125.54 2kdm s GLU 19 Ca 0.01 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 2kdm s GLU 19 Cb -0.03 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2kdm s GLU 19 CO -0.03 0.03 -0.01 0.00 -0.54 0.00 0.00 175.26 174.71 2kdm s ALA 20 N 1.12 0.67 0.15 6.30 0.00 -0.35 -4.95 121.76 124.70 2kdm s ALA 20 Ca 0.16 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.64 2kdm s ALA 20 Cb -0.14 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.42 2kdm s ALA 20 CO 0.06 -0.39 1.81 -0.39 0.00 0.00 0.00 175.76 176.85 2kdm h VAL 21 N 3.04 1.08 -2.35 0.00 -1.51 -1.98 -0.39 116.25 114.14 2kdm h VAL 21 Ca -0.34 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 2kdm h VAL 21 Cb 1.16 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kdm h VAL 21 CO 0.64 0.09 0.00 0.47 -1.23 0.00 0.00 177.57 177.54 2kdm n ASP 22 N -4.84 0.85 0.02 4.19 8.00 -1.26 -4.33 116.55 119.18 2kdm n ASP 22 Ca 0.00 -0.50 -0.15 0.00 0.71 0.00 0.00 54.79 54.85 2kdm n ASP 22 Cb 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kdm h ALA 23 N 1.00 0.49 -1.12 2.24 0.00 -1.95 -3.34 119.26 116.59 2kdm h ALA 23 Ca 0.00 -1.30 0.31 0.00 0.00 0.00 0.00 54.91 53.92 2kdm h ALA 23 Cb 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2kdm h ALA 23 CO 0.00 1.35 0.76 0.78 0.00 0.00 0.00 179.25 182.14 2kdm h GLY 24 N 2.24 0.61 2.00 0.00 0.00 -1.99 1.02 103.07 106.96 2kdm h GLY 24 Ca -0.29 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 46.75 2kdm h GLY 24 CO 0.11 -0.08 -0.92 -0.84 0.00 0.00 0.00 176.54 174.81 2kdm h THR 25 N 0.18 1.60 0.07 4.70 2.02 -1.99 -2.65 112.91 116.84 2kdm h THR 25 Ca 0.59 -3.22 -0.21 0.00 0.77 0.00 0.00 66.41 64.34 2kdm h THR 25 Cb 1.92 2.77 0.02 0.00 -1.74 0.00 0.00 68.15 71.12 2kdm h THR 25 CO -0.16 0.90 -0.86 0.00 0.37 0.00 0.00 175.52 175.78 2kdm h ALA 26 N 1.08 0.01 0.39 6.16 0.00 0.64 -2.55 119.26 124.98 2kdm h ALA 26 Ca -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2kdm h ALA 26 Cb 1.69 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2kdm h ALA 26 CO 0.12 0.46 -0.19 1.49 0.00 0.00 0.00 179.25 181.14 2kdm h GLU 27 N -0.05 -0.50 -1.01 0.00 4.81 -0.01 0.84 114.58 118.67 2kdm h GLU 27 Ca -0.13 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2kdm h GLU 27 Cb 1.58 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 31.01 2kdm h GLU 27 CO 0.16 -0.26 0.65 0.87 -0.73 0.00 0.00 179.01 179.71 2kdm h LYS 28 N -0.66 1.12 -0.04 1.92 1.79 -1.60 0.80 116.57 119.90 2kdm h LYS 28 Ca -0.05 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.23 2kdm h LYS 28 Cb 0.48 -0.25 0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2kdm h LYS 28 CO 0.09 0.74 -0.42 -0.92 -1.08 0.00 0.00 179.45 177.86 2kdm h TYR 29 N 1.15 0.51 -0.63 -1.35 5.03 -1.31 -2.59 116.97 117.79 2kdm h TYR 29 Ca 0.44 -0.25 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 2kdm h TYR 29 Cb 0.22 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 2kdm h TYR 29 CO -0.00 1.02 0.35 0.74 -1.32 0.00 0.00 178.16 178.95 2kdm h PHE 30 N -0.16 0.86 -0.78 -3.82 -1.00 0.11 -1.98 116.94 110.17 2kdm h PHE 30 Ca -0.04 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.75 2kdm h PHE 30 Cb 1.11 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.35 2kdm h PHE 30 CO 0.14 0.61 0.51 -0.22 -1.61 0.00 0.00 178.31 177.75 2kdm h LYS 31 N 0.86 0.93 -0.73 1.51 3.64 0.59 0.39 116.57 123.76 2kdm h LYS 31 Ca 0.22 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2kdm h LYS 31 Cb 0.03 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2kdm h LYS 31 CO -0.04 0.62 0.31 -0.07 -2.27 0.00 0.00 179.45 178.00 2kdm h LEU 32 N 0.96 0.99 -0.42 5.20 3.38 -0.95 -1.83 115.31 122.65 2kdm h LEU 32 Ca 0.31 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2kdm h LEU 32 Cb 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2kdm h LEU 32 CO -0.09 0.88 -0.68 -0.29 0.09 0.00 0.00 178.44 178.35 2kdm h ILE 33 N 1.04 1.32 0.00 1.22 6.09 -1.03 -2.65 117.51 123.50 2kdm h ILE 33 Ca 0.25 -2.45 0.00 0.00 -1.37 0.00 0.00 64.86 61.29 2kdm h ILE 33 Cb 0.18 2.38 0.00 0.00 0.47 0.00 0.00 36.82 39.85 2kdm h ILE 33 CO -0.02 0.66 0.00 0.00 -3.07 0.00 0.00 178.15 175.72 2kdm n ALA 34 N -2.34 -0.26 0.33 0.18 0.00 0.06 -1.05 120.51 117.43 2kdm n ALA 34 Ca -0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 2kdm n ALA 34 Cb 0.72 0.00 1.12 0.00 0.00 0.00 0.00 19.45 21.29 2kdm n ALA 34 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2kdm h ASN 35 N 0.00 0.00 0.00 0.00 -0.00 -1.35 0.89 115.58 115.13 2kdm h ASN 35 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2kdm h ASN 35 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2kdm h ASN 35 CO 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 177.43 177.43 2kdm h ALA 36 N 1.88 -0.01 0.00 4.14 0.00 -1.50 -3.38 119.26 120.38 2kdm h ALA 36 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kdm h ALA 36 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kdm h ALA 36 CO -0.00 -0.01 -0.25 1.57 0.00 0.00 0.00 179.25 180.56 2kdm h LYS 37 N -0.23 0.00 -4.89 0.00 5.09 -1.03 -3.45 116.57 112.05 2kdm h LYS 37 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 60.65 60.35 2kdm h LYS 37 Cb 0.00 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 32.19 2kdm h LYS 37 CO 0.00 0.25 -0.59 0.95 -2.09 0.00 0.00 179.45 177.97 2kdm s THR 38 N -3.89 0.47 -0.04 0.07 -4.23 0.31 -5.06 115.64 103.26 2kdm s THR 38 Ca -0.01 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.65 2kdm s THR 38 Cb 0.12 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.66 2kdm s THR 38 CO 0.64 0.00 1.13 1.33 -0.54 0.00 0.00 174.62 177.18 2kdm n VAL 39 N -0.53 0.10 -3.65 2.29 0.24 -1.26 -3.35 118.33 112.17 2kdm n VAL 39 Ca 0.00 -0.78 -0.03 0.00 -2.04 0.00 0.00 64.34 61.49 2kdm n VAL 39 Cb 0.66 0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 2kdm n VAL 39 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kdm s GLU 40 N -0.30 0.06 0.00 7.34 2.12 -1.26 -5.09 118.70 121.56 2kdm s GLU 40 Ca 0.19 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2kdm s GLU 40 Cb 0.24 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2kdm s GLU 40 CO -0.09 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2kdm n GLY 41 N 1.32 1.36 3.33 -1.50 0.00 -1.26 -4.25 105.19 104.19 2kdm n GLY 41 Ca -0.08 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 4.43 0.13 1.61 1.01 0.34 -4.69 120.40 121.23 2kdm s VAL 42 Ca 0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 2kdm s VAL 42 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 2kdm s VAL 42 CO 0.00 -0.37 1.52 0.26 0.00 0.00 0.00 175.10 176.51 2kdm s TRP 43 N 1.50 3.03 0.08 5.22 0.52 -1.24 -2.57 118.94 125.48 2kdm s TRP 43 Ca 0.02 0.70 -0.14 0.00 0.02 0.00 0.00 56.10 56.70 2kdm s TRP 43 Cb -0.21 -3.84 0.02 0.00 -1.15 0.00 0.00 33.47 28.29 2kdm s TRP 43 CO 0.05 -3.11 0.33 0.95 0.02 0.00 0.00 176.95 175.19 2kdm s THR 44 N 1.36 0.09 0.00 2.01 -4.23 0.15 -4.94 115.64 110.08 2kdm s THR 44 Ca 0.69 -0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 60.44 2kdm s THR 44 Cb -0.41 -1.10 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 2kdm s THR 44 CO 0.31 -0.39 0.10 -0.47 -0.54 0.00 0.00 174.62 173.63 2kdm s TYR 45 N -3.24 0.07 -0.09 3.99 6.14 -1.26 0.15 117.35 123.10 2kdm s TYR 45 Ca -0.00 -0.17 0.03 0.00 0.64 0.00 0.00 57.07 57.57 2kdm s TYR 45 Cb 0.01 -0.07 -0.01 0.00 0.42 0.00 0.00 41.96 42.31 2kdm s TYR 45 CO -0.08 -0.24 -0.20 0.21 0.64 0.00 0.00 175.55 175.88 2kdm s LYS 46 N -1.21 2.97 -0.20 4.97 2.20 0.25 -4.97 119.74 123.76 2kdm s LYS 46 Ca -0.13 -0.82 -0.21 0.00 -0.36 0.00 0.00 55.97 54.45 2kdm s LYS 46 Cb -0.07 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 2kdm s LYS 46 CO 0.01 0.28 0.66 0.34 -0.36 0.00 0.00 175.35 176.27 2kdm s ASP 47 N 0.13 6.71 0.00 1.43 -1.08 -1.26 -2.81 116.67 119.79 2kdm s ASP 47 Ca -0.10 0.87 0.00 0.00 -0.52 0.00 0.00 52.55 52.79 2kdm s ASP 47 Cb -0.16 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2kdm s ASP 47 CO 0.06 -0.30 0.00 -0.62 0.52 0.00 0.00 175.17 174.83 2kdm n GLU 48 N 5.14 0.00 -0.13 4.34 -0.58 -1.26 -4.91 120.64 123.24 2kdm n GLU 48 Ca -0.01 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.76 2kdm n GLU 48 Cb 0.49 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.40 2kdm n GLU 48 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2kdm n ILE 49 N 0.00 0.82 -2.88 -3.67 -6.64 -1.26 -5.06 119.36 100.67 2kdm n ILE 49 Ca 0.00 -0.93 -0.08 0.00 -1.77 0.00 0.00 62.75 59.97 2kdm n ILE 49 Cb 0.00 0.40 0.01 0.00 -1.44 0.00 0.00 39.64 38.61 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 -0.55 -2.57 -3.97 6.28 4.76 -1.24 -4.58 118.16 116.29 2kdm n LYS 50 Ca 0.05 2.20 -0.14 0.00 -2.87 0.00 0.00 58.31 57.55 2kdm n LYS 50 Cb 0.51 -5.20 -0.14 0.00 -1.84 0.00 0.00 35.03 28.36 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 -2.24 0.16 0.30 -0.18 -1.32 -1.12 -2.40 115.64 108.83 2kdm s THR 51 Ca 0.19 -0.06 0.11 0.00 -1.21 0.00 0.00 61.69 60.73 2kdm s THR 51 Cb -0.05 -0.16 -0.05 0.00 -1.51 0.00 0.00 72.50 70.73 2kdm s THR 51 CO 0.76 0.06 -0.16 -0.36 -2.21 0.00 0.00 174.62 172.71 2kdm s PHE 52 N 0.11 2.35 -0.00 9.09 0.40 0.48 0.88 117.98 131.28 2kdm s PHE 52 Ca -0.01 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 2kdm s PHE 52 Cb -0.03 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.39 2kdm s PHE 52 CO -0.00 0.67 0.20 0.99 0.70 0.00 0.00 175.22 177.78 2kdm s THR 53 N -2.53 0.07 -0.27 0.64 2.01 0.39 -1.19 115.64 114.77 2kdm s THR 53 Ca 0.31 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 2kdm s THR 53 Cb -0.03 -0.50 0.09 0.00 0.01 0.00 0.00 72.50 72.07 2kdm s THR 53 CO 0.16 -0.33 0.09 0.54 -0.69 0.00 0.00 174.62 174.39 2kdm s VAL 54 N -1.34 0.42 -0.21 3.82 0.11 -0.27 0.35 120.40 123.27 2kdm s VAL 54 Ca -0.14 -0.91 -0.08 0.00 -2.93 0.00 0.00 61.98 57.93 2kdm s VAL 54 Cb -0.07 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2kdm s VAL 54 CO 0.03 -0.55 0.08 -0.89 -3.33 0.00 0.00 175.10 170.43 2kdm s THR 55 N 1.87 4.73 -2.91 5.04 2.01 -1.06 -2.28 115.64 123.04 2kdm s THR 55 Ca 0.06 -0.04 0.25 0.00 0.31 0.00 0.00 61.69 62.27 2kdm s THR 55 Cb -0.17 -3.17 0.25 0.00 0.01 0.00 0.00 72.50 69.42 2kdm s THR 55 CO -0.24 0.40 1.35 1.21 -0.69 0.00 0.00 174.62 176.65