#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auu s LYS 2 N 0.00 2.95 -0.70 0.03 1.02 -1.20 -1.24 119.74 120.60 1auu s LYS 2 Ca 0.00 -0.87 -0.27 0.00 0.02 0.00 0.00 55.97 54.86 1auu s LYS 2 Cb 0.00 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1auu s LYS 2 CO 0.00 -0.23 1.21 0.42 -0.92 0.00 0.00 175.35 175.84 1auu s ILE 3 N -2.42 3.87 0.08 2.17 1.09 -0.70 -2.24 121.20 123.05 1auu s ILE 3 Ca 0.50 0.40 -0.09 0.00 -1.10 0.00 0.00 60.65 60.36 1auu s ILE 3 Cb -0.10 -4.84 -0.27 0.00 -1.06 0.00 0.00 42.46 36.19 1auu s ILE 3 CO 0.35 -1.69 1.15 0.50 -0.10 0.00 0.00 174.94 175.14 1auu h LYS 4 N 9.86 0.46 -3.95 2.79 3.11 -0.06 -2.97 116.57 125.82 1auu h LYS 4 Ca -0.27 -0.65 -0.19 0.00 -2.81 0.00 0.00 60.65 56.72 1auu h LYS 4 Cb 1.05 0.22 -0.08 0.00 -1.00 0.00 0.00 32.23 32.42 1auu h LYS 4 CO 1.24 1.28 -0.17 1.03 -2.81 0.00 0.00 179.45 180.02 1auu s ARG 5 N -2.91 1.77 -0.09 1.90 0.52 0.29 -4.97 118.95 115.46 1auu s ARG 5 Ca -0.07 -1.58 0.01 0.00 -0.52 0.00 0.00 55.73 53.57 1auu s ARG 5 Cb 0.07 0.45 0.02 0.00 0.52 0.00 0.00 34.95 36.00 1auu s ARG 5 CO 0.91 -0.73 -0.11 0.42 0.02 0.00 0.00 175.30 175.80 1auu s ILE 6 N -3.37 1.15 -0.23 1.52 1.09 -1.26 -1.26 121.20 118.83 1auu s ILE 6 Ca 0.28 -0.44 -0.15 0.00 -1.10 0.00 0.00 60.65 59.24 1auu s ILE 6 Cb -0.00 -1.09 -0.17 0.00 -1.06 0.00 0.00 42.46 40.14 1auu s ILE 6 CO 0.16 0.37 -0.02 0.18 -0.10 0.00 0.00 174.94 175.53 1auu n LEU 7 N 4.27 2.08 0.00 2.97 4.77 -0.31 -4.86 117.00 125.91 1auu n LEU 7 Ca -0.19 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1auu n LEU 7 Cb 0.51 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1auu n LEU 7 CO 0.22 0.51 0.00 -0.46 -1.33 0.00 0.00 177.39 176.33 1auu n ASN 8 N -4.16 0.00 0.24 -1.43 0.23 0.32 -4.92 115.26 105.54 1auu n ASN 8 Ca -0.42 -0.19 0.16 0.00 -0.53 0.00 0.00 54.58 53.61 1auu n ASN 8 Cb 0.83 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 39.23 1auu n ASN 8 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1auu h HIS 9 N 0.19 0.00 0.00 -2.53 2.76 -1.98 -3.30 115.15 110.29 1auu h HIS 9 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1auu h HIS 9 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1auu h HIS 9 CO 0.00 0.00 -1.08 0.09 -1.30 0.00 0.00 177.93 175.64 1auu n ASN 10 N -2.78 4.59 -4.85 3.26 3.02 -1.26 -1.29 115.26 115.94 1auu n ASN 10 Ca 0.00 -0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 1auu n ASN 10 Cb 0.23 0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.78 1auu n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1auu s ALA 11 N -2.03 3.84 -0.10 5.41 0.00 -1.24 -0.04 121.76 127.61 1auu s ALA 11 Ca -0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 1auu s ALA 11 Cb 0.00 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.14 1auu s ALA 11 CO 0.05 0.54 0.38 0.42 0.00 0.00 0.00 175.76 177.15 1auu s ILE 12 N -0.80 0.02 -0.29 0.00 1.09 -0.20 -0.52 121.20 120.50 1auu s ILE 12 Ca 0.14 -0.15 -0.23 0.00 -1.10 0.00 0.00 60.65 59.31 1auu s ILE 12 Cb -0.12 -0.60 -0.00 0.00 -1.06 0.00 0.00 42.46 40.68 1auu s ILE 12 CO 0.03 -0.08 0.76 -0.69 -0.10 0.00 0.00 174.94 174.86 1auu s VAL 13 N -0.36 4.84 0.09 2.92 1.01 -0.39 0.08 120.40 128.59 1auu s VAL 13 Ca -0.05 1.21 0.09 0.00 0.00 0.00 0.00 61.98 63.23 1auu s VAL 13 Cb -0.03 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1auu s VAL 13 CO 0.02 -0.17 -0.20 0.54 0.00 0.00 0.00 175.10 175.29 1auu s VAL 14 N 2.84 2.68 -0.03 2.92 0.11 -0.78 0.69 120.40 128.83 1auu s VAL 14 Ca 0.31 -1.43 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1auu s VAL 14 Cb -0.15 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 1auu s VAL 14 CO 0.11 0.20 0.06 -1.59 -3.33 0.00 0.00 175.10 170.55 1auu s LYS 15 N -1.83 3.05 0.27 1.54 -2.85 -0.95 0.14 119.74 119.10 1auu s LYS 15 Ca 0.16 -0.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.70 1auu s LYS 15 Cb -0.10 -2.85 -0.01 0.00 -2.06 0.00 0.00 37.83 32.80 1auu s LYS 15 CO 0.07 0.67 0.09 -0.40 0.10 0.00 0.00 175.35 175.88 1auu n ASP 16 N 1.48 1.22 -0.16 0.03 5.68 0.38 -3.19 116.55 121.99 1auu n ASP 16 Ca -0.15 -2.41 -0.07 0.00 -0.50 0.00 0.00 54.79 51.66 1auu n ASP 16 Cb 0.53 0.65 0.02 0.00 -1.14 0.00 0.00 41.12 41.18 1auu n ASP 16 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1auu h GLN 17 N 0.00 0.62 0.18 0.11 7.50 -1.99 -3.07 115.11 118.46 1auu h GLN 17 Ca -0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 58.89 1auu h GLN 17 Cb 0.79 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.18 1auu h GLN 17 CO 0.33 0.41 -0.09 -0.91 -1.50 0.00 0.00 178.83 177.07 1auu h ASN 18 N 0.64 -0.21 0.00 1.46 2.35 -2.03 -3.49 115.58 114.30 1auu h ASN 18 Ca 0.19 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1auu h ASN 18 Cb -0.04 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1auu h ASN 18 CO -0.06 0.02 0.00 1.21 -1.65 0.00 0.00 177.43 176.95 1auu n GLU 19 N -5.11 0.00 -1.55 0.81 2.13 -1.16 -5.15 120.64 110.60 1auu n GLU 19 Ca -0.09 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.42 1auu n GLU 19 Cb 0.18 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.95 1auu n GLU 19 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1auu s GLU 20 N -0.20 2.82 0.35 5.31 2.12 -1.26 -0.47 118.70 127.37 1auu s GLU 20 Ca 0.00 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.26 1auu s GLU 20 Cb 0.00 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.41 1auu s GLU 20 CO 0.00 -1.18 0.46 0.21 -0.54 0.00 0.00 175.26 174.21 1auu s LYS 21 N -5.05 1.92 -0.07 4.30 2.20 0.36 -4.07 119.74 119.34 1auu s LYS 21 Ca 0.58 -1.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.36 1auu s LYS 21 Cb -0.14 0.43 0.04 0.00 -1.51 0.00 0.00 37.83 36.65 1auu s LYS 21 CO 0.55 -0.79 0.10 0.42 -0.36 0.00 0.00 175.35 175.27 1auu s ILE 22 N -3.04 -0.16 -0.35 5.43 -1.09 0.33 -1.87 121.20 120.44 1auu s ILE 22 Ca 0.32 0.33 -0.11 0.00 -2.23 0.00 0.00 60.65 58.96 1auu s ILE 22 Cb -0.00 -0.25 0.01 0.00 -1.58 0.00 0.00 42.46 40.64 1auu s ILE 22 CO 0.22 0.11 0.20 -0.22 -1.23 0.00 0.00 174.94 174.01 1auu s LEU 23 N 2.21 4.52 -0.61 2.97 1.98 0.11 -0.81 118.68 129.03 1auu s LEU 23 Ca 0.04 -0.78 -0.07 0.00 -2.89 0.00 0.00 54.13 50.44 1auu s LEU 23 Cb -0.13 -2.03 0.16 0.00 0.66 0.00 0.00 46.19 44.85 1auu s LEU 23 CO -0.05 -0.31 0.47 -0.76 -1.89 0.00 0.00 176.35 173.82 1auu s LEU 24 N 1.60 5.72 -0.08 -0.68 1.43 0.01 -1.03 118.68 125.64 1auu s LEU 24 Ca 0.03 -2.50 0.00 0.00 -1.03 0.00 0.00 54.13 50.64 1auu s LEU 24 Cb -0.18 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1auu s LEU 24 CO 0.07 -0.52 -0.06 -0.83 0.23 0.00 0.00 176.35 175.24 1auu s GLY 25 N 1.65 0.65 -0.63 -3.19 0.00 0.95 -1.34 107.32 105.41 1auu s GLY 25 Ca 0.13 -0.30 -0.28 0.00 0.00 0.00 0.00 44.72 44.28 1auu s GLY 25 CO -0.04 0.63 2.49 0.00 0.00 0.00 0.00 173.10 176.19 1auu n ALA 26 N 4.51 0.66 -0.10 3.20 0.00 -1.26 0.32 120.51 127.84 1auu n ALA 26 Ca -0.17 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1auu n ALA 26 Cb 0.51 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1auu n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auu n GLY 27 N 6.17 0.94 0.33 0.00 0.00 -1.14 -4.98 105.19 106.51 1auu n GLY 27 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 1auu n GLY 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1auu h ILE 28 N 0.00 1.24 -0.96 -0.61 2.10 0.09 -1.77 117.51 117.60 1auu h ILE 28 Ca 0.00 -0.71 0.03 0.00 1.08 0.00 0.00 64.86 65.26 1auu h ILE 28 Cb 0.00 0.36 -0.05 0.00 -1.09 0.00 0.00 36.82 36.04 1auu h ILE 28 CO 0.00 0.29 0.63 0.00 -1.08 0.00 0.00 178.15 177.99 1auu h ALA 29 N 1.31 1.37 -2.83 0.18 0.00 -1.42 -3.39 119.26 114.48 1auu h ALA 29 Ca 0.24 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.58 1auu h ALA 29 Cb 0.16 -0.35 0.05 0.00 0.00 0.00 0.00 17.79 17.65 1auu h ALA 29 CO -0.02 0.54 0.61 0.12 0.00 0.00 0.00 179.25 180.50 1auu s PHE 30 N -6.03 3.17 -0.66 0.00 5.36 -0.67 -2.70 117.98 116.46 1auu s PHE 30 Ca -0.12 1.43 -0.01 0.00 -0.96 0.00 0.00 56.93 57.27 1auu s PHE 30 Cb 0.19 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 1auu s PHE 30 CO 0.81 -1.65 0.07 -1.71 -1.46 0.00 0.00 175.22 171.28 1auu n ASN 31 N 1.17 -3.00 -3.58 6.13 2.85 -1.26 -4.99 115.26 112.58 1auu n ASN 31 Ca 0.01 -0.04 -0.11 0.00 -0.11 0.00 0.00 54.58 54.33 1auu n ASN 31 Cb 0.42 -2.19 -0.03 0.00 1.24 0.00 0.00 39.78 39.22 1auu n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1auu s LYS 32 N -4.57 1.23 0.34 1.20 1.02 -1.10 -4.91 119.74 112.96 1auu s LYS 32 Ca 0.03 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 1auu s LYS 32 Cb -0.01 0.53 0.02 0.00 -0.52 0.00 0.00 37.83 37.85 1auu s LYS 32 CO 0.04 -0.52 0.61 0.21 -0.92 0.00 0.00 175.35 174.78 1auu s LYS 33 N -3.80 1.98 0.25 1.68 2.20 -1.26 -4.99 119.74 115.80 1auu s LYS 33 Ca 0.04 -1.51 -0.31 0.00 -0.36 0.00 0.00 55.97 53.83 1auu s LYS 33 Cb 0.00 0.53 -0.12 0.00 -1.51 0.00 0.00 37.83 36.73 1auu s LYS 33 CO -0.10 -0.87 1.67 0.21 -0.36 0.00 0.00 175.35 175.90 1auu s LYS 34 N -2.97 4.11 0.00 4.03 2.47 -1.26 -1.49 119.74 124.64 1auu s LYS 34 Ca 0.22 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.24 1auu s LYS 34 Cb -0.03 -3.04 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 1auu s LYS 34 CO 0.14 -0.71 0.00 -1.71 0.16 0.00 0.00 175.35 173.24 1auu n ASN 35 N 3.11 -1.16 -4.88 1.43 5.15 -1.12 -4.88 115.26 112.91 1auu n ASN 35 Ca 0.12 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.78 1auu n ASN 35 Cb 0.36 -0.50 -0.05 0.00 -0.53 0.00 0.00 39.78 39.06 1auu n ASN 35 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1auu s ASP 36 N -2.57 6.61 0.39 1.20 1.11 -0.55 -4.67 116.67 118.18 1auu s ASP 36 Ca 0.00 0.81 -0.25 0.00 0.18 0.00 0.00 52.55 53.28 1auu s ASP 36 Cb 0.00 -2.18 -0.09 0.00 1.07 0.00 0.00 42.92 41.72 1auu s ASP 36 CO 0.00 0.04 1.13 -0.63 1.18 0.00 0.00 175.17 176.88 1auu s ILE 37 N -1.64 3.36 0.03 0.77 -1.09 -1.26 -1.71 121.20 119.65 1auu s ILE 37 Ca 0.41 1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 59.66 1auu s ILE 37 Cb -0.12 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1auu s ILE 37 CO 0.21 0.09 1.02 0.54 -1.23 0.00 0.00 174.94 175.57 1auu s VAL 38 N -1.47 4.64 0.12 2.92 0.11 -0.37 -4.93 120.40 121.42 1auu s VAL 38 Ca 0.56 1.94 -0.31 0.00 -2.93 0.00 0.00 61.98 61.24 1auu s VAL 38 Cb -0.28 -4.24 -0.08 0.00 -1.53 0.00 0.00 36.38 30.25 1auu s VAL 38 CO 0.35 0.17 1.40 -0.62 -3.33 0.00 0.00 175.10 173.08 1auu s ASP 39 N 0.86 6.81 0.21 3.54 2.15 -1.26 -4.91 116.67 124.07 1auu s ASP 39 Ca 0.53 2.34 -0.01 0.00 0.43 0.00 0.00 52.55 55.83 1auu s ASP 39 Cb -0.23 -2.59 0.17 0.00 -0.30 0.00 0.00 42.92 39.97 1auu s ASP 39 CO 0.29 -0.66 1.53 1.55 -0.17 0.00 0.00 175.17 177.71 1auu h PRO 40 N 6.81 0.48 -0.10 4.34 0.13 -1.94 -1.68 132.00 140.04 1auu h PRO 40 Ca -0.42 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1auu h PRO 40 Cb 1.21 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1auu h PRO 40 CO 0.87 0.90 0.03 1.03 -0.23 0.00 0.00 178.00 180.59 1auu h SER 41 N 0.37 0.12 1.02 1.44 0.87 -2.04 -0.96 113.55 114.36 1auu h SER 41 Ca 0.01 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1auu h SER 41 Cb 1.06 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1auu h SER 41 CO 0.10 0.12 -1.04 0.11 -0.53 0.00 0.00 176.83 175.59 1auu h LYS 42 N 0.14 0.00 -5.94 2.24 1.57 -1.89 -3.45 116.57 109.24 1auu h LYS 42 Ca 0.04 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.21 1auu h LYS 42 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1auu h LYS 42 CO -0.00 0.55 1.49 -0.89 -0.57 0.00 0.00 179.45 180.02 1auu n ILE 43 N -3.13 0.25 -0.07 1.86 5.41 -0.37 -4.26 119.36 119.06 1auu n ILE 43 Ca -0.04 -0.42 -0.07 0.00 1.00 0.00 0.00 62.75 63.22 1auu n ILE 43 Cb 0.85 -2.26 -0.10 0.00 -0.71 0.00 0.00 39.64 37.43 1auu n ILE 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1auu n GLU 44 N 8.60 1.66 -3.73 0.38 1.02 -1.21 -4.98 120.64 122.39 1auu n GLU 44 Ca 0.35 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 1auu n GLU 44 Cb 0.38 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 1auu n GLU 44 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1auu s LYS 45 N -2.32 0.12 -0.21 3.49 -0.14 -0.45 -4.98 119.74 115.25 1auu s LYS 45 Ca -0.09 0.46 -0.04 0.00 -1.36 0.00 0.00 55.97 54.94 1auu s LYS 45 Cb 0.04 -0.17 -0.01 0.00 -1.68 0.00 0.00 37.83 36.01 1auu s LYS 45 CO 0.51 -0.19 -0.03 0.99 -0.76 0.00 0.00 175.35 175.87 1auu s THR 46 N 1.39 3.51 -0.08 2.17 2.01 -1.26 -0.81 115.64 122.57 1auu s THR 46 Ca -0.07 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1auu s THR 46 Cb -0.11 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1auu s THR 46 CO -0.07 0.43 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.74 1auu s PHE 47 N 1.32 2.05 0.06 4.92 0.40 0.01 -4.95 117.98 121.78 1auu s PHE 47 Ca 0.04 -0.76 0.08 0.00 -0.60 0.00 0.00 56.93 55.69 1auu s PHE 47 Cb -0.14 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1auu s PHE 47 CO -0.01 -0.31 -0.23 0.42 0.70 0.00 0.00 175.22 175.78 1auu s ILE 48 N 0.35 1.84 -0.28 0.64 1.01 -1.26 0.12 121.20 123.62 1auu s ILE 48 Ca -0.14 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 58.88 1auu s ILE 48 Cb -0.16 -1.60 -0.07 0.00 0.01 0.00 0.00 42.46 40.64 1auu s ILE 48 CO 0.06 0.20 2.25 -2.11 0.00 0.00 0.00 174.94 175.34 1auu n ARG 49 N 1.66 1.66 -5.05 2.79 1.85 -1.26 -4.94 116.66 113.37 1auu n ARG 49 Ca -0.17 0.42 -0.32 0.00 -1.00 0.00 0.00 57.85 56.77 1auu n ARG 49 Cb 0.53 -3.10 -0.16 0.00 -1.05 0.00 0.00 32.46 28.67 1auu n ARG 49 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1auu s LYS 50 N 6.61 3.13 0.30 2.89 2.20 -1.26 -4.93 119.74 128.67 1auu s LYS 50 Ca 1.03 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1auu s LYS 50 Cb -0.42 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1auu s LYS 50 CO 0.37 0.16 0.00 -3.47 -0.36 0.00 0.00 175.35 172.05 1auu n ASP 51 N 3.59 -2.68 -3.80 1.43 2.03 -1.26 -5.14 116.55 110.72 1auu n ASP 51 Ca -0.19 0.64 -0.13 0.00 0.52 0.00 0.00 54.79 55.64 1auu n ASP 51 Cb 0.53 2.65 -0.12 0.00 -0.72 0.00 0.00 41.12 43.45 1auu n ASP 51 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1auu s THR 52 N -1.73 -0.00 -0.03 5.18 -4.23 -1.26 -5.09 115.64 108.48 1auu s THR 52 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1auu s THR 52 Cb 0.00 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.55 1auu s THR 52 CO 0.00 0.00 0.16 1.55 -0.54 0.00 0.00 174.62 175.80 1auu h PRO 53 N 5.87 -0.06 0.00 3.99 0.13 -2.00 -3.46 132.00 136.45 1auu h PRO 53 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1auu h PRO 53 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1auu h PRO 53 CO 0.38 -0.04 -0.42 -3.47 -0.23 0.00 0.00 178.00 174.22 1auu n ASP 54 N -3.03 0.30 0.00 1.44 2.03 -1.26 -5.28 116.55 110.75 1auu n ASP 54 Ca -0.01 0.10 0.03 0.00 0.52 0.00 0.00 54.79 55.43 1auu n ASP 54 Cb 0.03 -0.05 0.15 0.00 -0.72 0.00 0.00 41.12 40.53 1auu n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28