#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 3.07 0.12 4.28 -4.23 -1.26 -0.67 115.64 116.94 2kdm s THR 2 Ca 0.00 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.72 2kdm s THR 2 Cb 0.00 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 2kdm s THR 2 CO 0.00 0.47 -0.24 -0.31 -0.54 0.00 0.00 174.62 174.00 2kdm s TYR 3 N -0.84 2.08 0.11 3.99 1.51 -0.74 -4.65 117.35 118.81 2kdm s TYR 3 Ca 0.13 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.88 2kdm s TYR 3 Cb -0.11 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 2kdm s TYR 3 CO 0.03 0.28 -0.19 0.15 -1.11 0.00 0.00 175.55 174.71 2kdm s LYS 4 N -1.98 1.12 -0.05 -0.62 1.02 -1.03 -2.38 119.74 115.83 2kdm s LYS 4 Ca 0.11 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.91 2kdm s LYS 4 Cb -0.10 -1.30 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 2kdm s LYS 4 CO 0.05 0.29 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.54 2kdm s LEU 5 N -2.07 1.39 -0.41 3.17 2.96 0.39 -0.12 118.68 123.98 2kdm s LEU 5 Ca 0.08 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 2kdm s LEU 5 Cb -0.09 -0.52 0.05 0.00 0.50 0.00 0.00 46.19 46.13 2kdm s LEU 5 CO 0.04 -0.04 0.28 -0.63 -1.32 0.00 0.00 176.35 174.69 2kdm s ILE 6 N 0.86 4.73 -0.23 6.68 -1.09 -0.37 -0.91 121.20 130.88 2kdm s ILE 6 Ca -0.12 -1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 57.12 2kdm s ILE 6 Cb -0.15 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2kdm s ILE 6 CO 0.01 -0.40 0.37 -0.76 -1.23 0.00 0.00 174.94 172.93 2kdm s LEU 7 N 1.56 4.11 -0.31 2.97 1.43 0.10 -1.48 118.68 127.06 2kdm s LEU 7 Ca 0.03 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2kdm s LEU 7 Cb -0.21 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.64 2kdm s LEU 7 CO 0.06 -0.10 0.06 0.21 0.23 0.00 0.00 176.35 176.81 2kdm s ASN 8 N 1.24 4.25 0.58 2.29 3.04 -0.86 -2.35 114.94 123.12 2kdm s ASN 8 Ca 0.17 -1.75 0.07 0.00 0.04 0.00 0.00 52.86 51.39 2kdm s ASN 8 Cb -0.15 -1.16 0.07 0.00 -1.54 0.00 0.00 41.25 38.47 2kdm s ASN 8 CO 0.08 -0.38 0.60 -1.48 -3.04 0.00 0.00 177.10 172.88 2kdm s LEU 9 N 1.35 2.81 0.23 3.21 2.34 -0.82 -1.39 118.68 126.41 2kdm s LEU 9 Ca 0.08 -1.12 -0.17 0.00 0.06 0.00 0.00 54.13 52.98 2kdm s LEU 9 Cb -0.18 -1.29 0.24 0.00 -0.56 0.00 0.00 46.19 44.40 2kdm s LEU 9 CO -0.17 -1.28 1.56 0.07 -1.06 0.00 0.00 176.35 175.47 2kdm h LYS 10 N 0.43 -0.02 -1.82 1.48 2.10 -1.96 -3.29 116.57 113.49 2kdm h LYS 10 Ca -0.33 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.82 2kdm h LYS 10 Cb 1.30 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 32.29 2kdm h LYS 10 CO 0.49 -0.01 -0.96 1.04 -2.00 0.00 0.00 179.45 178.01 2kdm n GLN 11 N -5.48 0.54 0.00 0.07 6.02 -1.26 -5.10 117.38 112.18 2kdm n GLN 11 Ca 0.10 -2.96 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 2kdm n GLN 11 Cb 0.40 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 1.97 0.00 -3.67 -1.58 0.00 -1.24 -5.14 120.51 110.86 2kdm n ALA 12 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 2kdm n ALA 12 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.62 0.41 0.13 0.00 2.20 -1.26 -1.94 119.74 117.66 2kdm s LYS 13 Ca 0.00 -0.41 0.10 0.00 -0.36 0.00 0.00 55.97 55.30 2kdm s LYS 13 Cb 0.00 -1.86 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2kdm s LYS 13 CO 0.00 -0.75 -0.22 -2.00 -0.36 0.00 0.00 175.35 172.02 2kdm s GLU 14 N 1.95 1.61 -0.14 4.03 2.56 -0.99 -4.98 118.70 122.75 2kdm s GLU 14 Ca 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 54.97 53.71 2kdm s GLU 14 Cb -0.17 -2.00 -0.01 0.00 2.00 0.00 0.00 34.13 33.95 2kdm s GLU 14 CO -0.15 0.46 -0.14 -1.21 -0.56 0.00 0.00 175.26 173.65 2kdm s GLU 15 N -2.19 3.31 -0.08 4.30 2.02 -1.26 -0.72 118.70 124.08 2kdm s GLU 15 Ca 0.17 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 54.44 2kdm s GLU 15 Cb -0.10 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2kdm s GLU 15 CO 0.09 0.15 -0.05 0.00 0.02 0.00 0.00 175.26 175.47 2kdm s ALA 16 N 0.49 3.05 0.12 5.21 0.00 -0.08 -4.92 121.76 125.63 2kdm s ALA 16 Ca -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 2kdm s ALA 16 Cb -0.16 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2kdm s ALA 16 CO 0.04 0.53 0.20 0.96 0.00 0.00 0.00 175.76 177.50 2kdm s ILE 17 N -0.69 0.11 -0.28 0.00 -4.36 -1.26 0.15 121.20 114.88 2kdm s ILE 17 Ca 0.10 -1.38 -0.25 0.00 -0.26 0.00 0.00 60.65 58.86 2kdm s ILE 17 Cb -0.11 -1.63 0.13 0.00 1.25 0.00 0.00 42.46 42.09 2kdm s ILE 17 CO 0.02 -0.51 1.06 -0.75 0.24 0.00 0.00 174.94 174.99 2kdm s LYS 18 N -3.93 0.48 -0.32 0.37 2.47 -1.00 -5.01 119.74 112.80 2kdm s LYS 18 Ca 0.12 0.53 -0.11 0.00 -1.56 0.00 0.00 55.97 54.95 2kdm s LYS 18 Cb 0.05 0.23 -0.02 0.00 -1.46 0.00 0.00 37.83 36.63 2kdm s LYS 18 CO -0.05 -0.06 0.19 -1.83 0.16 0.00 0.00 175.35 173.75 2kdm s GLU 19 N 0.13 3.48 0.22 4.03 -1.05 -1.26 -1.80 118.70 122.44 2kdm s GLU 19 Ca 0.03 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 2kdm s GLU 19 Cb -0.05 -3.67 -0.04 0.00 -0.44 0.00 0.00 34.13 29.93 2kdm s GLU 19 CO -0.06 -0.40 0.15 0.00 0.95 0.00 0.00 175.26 175.90 2kdm s ALA 20 N 1.67 1.27 -0.51 -0.84 0.00 0.15 -4.96 121.76 118.55 2kdm s ALA 20 Ca 0.06 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.34 2kdm s ALA 20 Cb -0.17 1.39 0.50 0.00 0.00 0.00 0.00 23.12 24.85 2kdm s ALA 20 CO 0.08 -0.60 1.30 1.33 0.00 0.00 0.00 175.76 177.88 2kdm n VAL 21 N -0.32 1.78 -3.36 0.00 0.24 -1.26 -0.82 118.33 114.58 2kdm n VAL 21 Ca 0.03 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 2kdm n VAL 21 Cb 0.66 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 2kdm n VAL 21 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kdm n ASP 22 N 0.30 0.00 -0.10 -1.34 2.03 -1.26 -4.90 116.55 111.28 2kdm n ASP 22 Ca 0.19 -0.66 -0.13 0.00 0.52 0.00 0.00 54.79 54.71 2kdm n ASP 22 Cb 0.88 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.17 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 1.55 -0.32 -1.67 0.00 -1.26 -4.20 120.51 111.61 2kdm n ALA 23 Ca 0.00 -0.95 0.30 0.00 0.00 0.00 0.00 53.44 52.79 2kdm n ALA 23 Cb 0.00 -0.01 0.64 0.00 0.00 0.00 0.00 19.45 20.08 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 1.97 0.57 1.92 0.00 0.00 -1.99 1.07 103.07 106.61 2kdm h GLY 24 Ca -0.47 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 46.60 2kdm h GLY 24 CO -0.05 -0.07 -0.84 -0.84 0.00 0.00 0.00 176.54 174.73 2kdm h THR 25 N 0.17 1.29 0.20 4.70 2.02 -1.99 -2.63 112.91 116.67 2kdm h THR 25 Ca 0.58 -2.86 -0.29 0.00 0.77 0.00 0.00 66.41 64.61 2kdm h THR 25 Cb 1.91 2.63 0.03 0.00 -1.74 0.00 0.00 68.15 70.99 2kdm h THR 25 CO -0.15 0.74 -1.24 0.00 0.37 0.00 0.00 175.52 175.24 2kdm h ALA 26 N 1.22 -0.11 0.62 6.16 0.00 0.66 -2.56 119.26 125.25 2kdm h ALA 26 Ca -0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 2kdm h ALA 26 Cb 1.62 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.56 2kdm h ALA 26 CO 0.10 0.60 -0.30 1.49 0.00 0.00 0.00 179.25 181.14 2kdm h GLU 27 N 0.03 -0.81 -0.97 0.00 4.81 0.10 0.46 114.58 118.19 2kdm h GLU 27 Ca -0.21 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.19 2kdm h GLU 27 Cb 1.97 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 31.45 2kdm h GLU 27 CO 0.23 -0.50 0.62 0.87 -0.73 0.00 0.00 179.01 179.50 2kdm h LYS 28 N -1.14 0.92 -0.18 1.92 1.57 -1.63 0.67 116.57 118.71 2kdm h LYS 28 Ca -0.09 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 2kdm h LYS 28 Cb 0.68 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2kdm h LYS 28 CO 0.14 0.61 -0.40 -0.92 -0.57 0.00 0.00 179.45 178.31 2kdm h TYR 29 N 0.95 0.75 -0.52 -1.35 5.03 -1.42 -2.59 116.97 117.81 2kdm h TYR 29 Ca 0.47 -0.28 -0.03 0.00 2.58 0.00 0.00 58.73 61.47 2kdm h TYR 29 Cb 0.48 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 2kdm h TYR 29 CO -0.00 1.04 0.20 0.74 -1.32 0.00 0.00 178.16 178.82 2kdm h PHE 30 N 0.24 0.79 -0.59 -3.82 -1.00 0.88 -2.24 116.94 111.20 2kdm h PHE 30 Ca -0.00 -0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.78 2kdm h PHE 30 Cb 1.01 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.30 2kdm h PHE 30 CO 0.09 0.66 0.39 -0.22 -1.61 0.00 0.00 178.31 177.62 2kdm h LYS 31 N 0.70 0.53 -0.34 1.51 3.11 0.32 0.68 116.57 123.07 2kdm h LYS 31 Ca 0.17 -0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.83 2kdm h LYS 31 Cb 0.20 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 2kdm h LYS 31 CO -0.01 0.35 -0.39 -0.07 -2.81 0.00 0.00 179.45 176.52 2kdm h LEU 32 N 0.54 0.88 0.16 5.20 3.38 -1.01 -1.80 115.31 122.66 2kdm h LEU 32 Ca 0.26 -0.40 -0.30 0.00 0.09 0.00 0.00 57.88 57.53 2kdm h LEU 32 Cb 0.31 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2kdm h LEU 32 CO -0.07 1.16 -1.40 -0.29 0.09 0.00 0.00 178.44 177.93 2kdm h ILE 33 N 0.67 1.33 0.68 1.22 6.09 -0.90 -2.72 117.51 123.89 2kdm h ILE 33 Ca 0.06 -2.89 -0.03 0.00 -1.37 0.00 0.00 64.86 60.62 2kdm h ILE 33 Cb 0.95 2.91 0.01 0.00 0.47 0.00 0.00 36.82 41.16 2kdm h ILE 33 CO 0.09 0.85 -0.33 0.00 -3.07 0.00 0.00 178.15 175.70 2kdm h ALA 34 N 0.44 -1.11 -0.78 0.18 0.00 0.32 -0.60 119.26 117.71 2kdm h ALA 34 Ca -0.20 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2kdm h ALA 34 Cb 2.03 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 20.13 2kdm h ALA 34 CO 0.21 -1.04 0.51 -0.91 0.00 0.00 0.00 179.25 178.02 2kdm h ASN 35 N -1.03 0.75 0.71 0.00 -0.26 -1.42 0.96 115.58 115.30 2kdm h ASN 35 Ca -0.09 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 2kdm h ASN 35 Cb 0.70 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2kdm h ASN 35 CO 0.15 0.48 -0.17 0.00 -1.06 0.00 0.00 177.43 176.84 2kdm h ALA 36 N 1.57 1.10 0.00 -0.83 0.00 -1.41 -3.16 119.26 116.54 2kdm h ALA 36 Ca 0.33 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.72 2kdm h ALA 36 Cb 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2kdm h ALA 36 CO -0.12 0.21 -2.40 1.63 0.00 0.00 0.00 179.25 178.58 2kdm n LYS 37 N -3.45 0.68 -3.49 0.00 5.02 -0.20 -5.05 118.16 111.67 2kdm n LYS 37 Ca -0.01 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2kdm n LYS 37 Cb 0.35 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2kdm n LYS 37 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kdm n THR 38 N -2.85 0.00 -2.61 -0.18 -2.24 0.32 -5.08 114.28 101.64 2kdm n THR 38 Ca -0.35 -1.50 -0.02 0.00 -2.27 0.00 0.00 64.05 59.91 2kdm n THR 38 Cb 1.13 0.86 0.07 0.00 -2.10 0.00 0.00 70.33 70.29 2kdm n THR 38 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2kdm n VAL 39 N -0.45 0.32 -3.65 2.28 0.24 -1.26 -3.79 118.33 112.02 2kdm n VAL 39 Ca 0.02 -1.35 -0.02 0.00 -2.04 0.00 0.00 64.34 60.94 2kdm n VAL 39 Cb 0.45 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.90 0.20 0.00 7.34 2.12 -1.26 -5.15 118.70 121.05 2kdm s GLU 40 Ca 0.14 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2kdm s GLU 40 Cb 0.35 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.81 2kdm s GLU 40 CO -0.09 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2kdm n GLY 41 N 2.56 1.06 3.39 -1.50 0.00 -1.26 -4.23 105.19 105.21 2kdm n GLY 41 Ca -0.14 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 4.97 -0.11 1.61 1.01 0.36 -4.67 120.40 121.57 2kdm s VAL 42 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2kdm s VAL 42 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2kdm s VAL 42 CO 0.00 -0.43 1.56 0.26 0.00 0.00 0.00 175.10 176.49 2kdm s TRP 43 N 1.60 2.20 0.15 5.22 0.52 -1.24 -2.59 118.94 124.80 2kdm s TRP 43 Ca 0.04 0.45 -0.04 0.00 0.02 0.00 0.00 56.10 56.57 2kdm s TRP 43 Cb -0.22 -3.84 -0.03 0.00 -1.15 0.00 0.00 33.47 28.24 2kdm s TRP 43 CO 0.07 -3.18 0.14 0.95 0.02 0.00 0.00 176.95 174.95 2kdm s THR 44 N 4.16 0.08 -0.06 2.01 -4.23 0.14 -4.94 115.64 112.80 2kdm s THR 44 Ca 0.69 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2kdm s THR 44 Cb -0.29 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.57 2kdm s THR 44 CO 0.26 -0.37 0.14 -0.47 -0.54 0.00 0.00 174.62 173.63 2kdm s TYR 45 N -4.03 -0.15 -0.14 3.99 6.14 -1.26 0.12 117.35 122.02 2kdm s TYR 45 Ca 0.23 0.44 -0.17 0.00 0.64 0.00 0.00 57.07 58.21 2kdm s TYR 45 Cb 0.06 -0.07 -0.04 0.00 0.42 0.00 0.00 41.96 42.33 2kdm s TYR 45 CO 0.02 -0.15 0.44 0.15 0.64 0.00 0.00 175.55 176.65 2kdm s LYS 46 N 0.99 4.29 -0.38 4.97 -0.14 0.37 -4.95 119.74 124.89 2kdm s LYS 46 Ca -0.08 0.35 -0.22 0.00 -1.36 0.00 0.00 55.97 54.67 2kdm s LYS 46 Cb -0.10 -3.46 0.01 0.00 -1.68 0.00 0.00 37.83 32.60 2kdm s LYS 46 CO -0.05 0.12 0.71 0.34 -0.76 0.00 0.00 175.35 175.71 2kdm s ASP 47 N 0.70 6.46 0.00 2.83 -1.08 -1.26 -2.79 116.67 121.52 2kdm s ASP 47 Ca 0.23 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 2kdm s ASP 47 Cb -0.15 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2kdm s ASP 47 CO 0.09 -0.70 0.00 -1.84 0.52 0.00 0.00 175.17 173.23 2kdm n GLU 48 N 6.29 0.00 -0.13 4.34 0.28 -1.26 -4.92 120.64 125.23 2kdm n GLU 48 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 2kdm n GLU 48 Cb 0.48 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.49 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 1.73 -2.65 3.84 -5.35 -1.26 -5.04 119.36 110.62 2kdm n ILE 49 Ca 0.00 -1.85 -0.00 0.00 -0.27 0.00 0.00 62.75 60.62 2kdm n ILE 49 Cb 0.00 -0.04 -0.00 0.00 -1.74 0.00 0.00 39.64 37.85 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 -0.94 -3.42 -3.76 6.28 5.02 -1.25 -4.64 118.16 115.44 2kdm n LYS 50 Ca 0.13 2.74 -0.13 0.00 -2.02 0.00 0.00 58.31 59.03 2kdm n LYS 50 Cb 0.59 -5.18 -0.09 0.00 -0.02 0.00 0.00 35.03 30.33 2kdm n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kdm s THR 51 N -1.51 0.04 0.29 -0.18 -4.23 -1.12 -2.46 115.64 106.46 2kdm s THR 51 Ca -0.02 -0.30 0.11 0.00 -1.18 0.00 0.00 61.69 60.30 2kdm s THR 51 Cb 0.00 -0.55 -0.05 0.00 1.34 0.00 0.00 72.50 73.24 2kdm s THR 51 CO 0.75 -0.17 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.13 2kdm s PHE 52 N -0.75 2.26 0.02 3.99 0.40 0.83 0.14 117.98 124.86 2kdm s PHE 52 Ca -0.08 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 2kdm s PHE 52 Cb -0.04 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.45 2kdm s PHE 52 CO 0.03 0.66 0.20 0.99 0.70 0.00 0.00 175.22 177.80 2kdm s THR 53 N -2.57 0.09 -0.29 0.64 2.01 0.33 -1.23 115.64 114.61 2kdm s THR 53 Ca 0.30 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 2kdm s THR 53 Cb -0.03 -0.71 0.10 0.00 0.01 0.00 0.00 72.50 71.87 2kdm s THR 53 CO 0.15 -0.41 0.11 0.54 -0.69 0.00 0.00 174.62 174.31 2kdm s VAL 54 N -1.97 0.44 -0.24 3.82 0.11 -0.55 0.26 120.40 122.26 2kdm s VAL 54 Ca -0.10 -1.07 -0.10 0.00 -2.93 0.00 0.00 61.98 57.79 2kdm s VAL 54 Cb -0.04 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.44 2kdm s VAL 54 CO -0.01 -0.67 0.14 0.42 -3.33 0.00 0.00 175.10 171.66 2kdm s THR 55 N 1.84 5.19 -2.90 5.04 -4.23 -1.07 -2.04 115.64 117.48 2kdm s THR 55 Ca 0.09 0.12 0.25 0.00 -1.18 0.00 0.00 61.69 60.97 2kdm s THR 55 Cb -0.17 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.52 2kdm s THR 55 CO -0.29 0.35 1.36 1.21 -0.54 0.00 0.00 174.62 176.70