#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 2.71 -0.47 2.12 -2.85 -1.25 -1.76 119.74 118.23 1auu s LYS 2 Ca 0.00 -1.36 -0.22 0.00 -1.00 0.00 0.00 55.97 53.39 1auu s LYS 2 Cb 0.00 -2.57 0.03 0.00 -2.06 0.00 0.00 37.83 33.23 1auu s LYS 2 CO 0.00 -0.18 0.76 0.42 0.10 0.00 0.00 175.35 176.45 1auu s ILE 3 N -2.39 4.68 0.04 3.79 1.09 -1.02 -2.93 121.20 124.46 1auu s ILE 3 Ca 0.50 0.18 -0.00 0.00 -1.10 0.00 0.00 60.65 60.23 1auu s ILE 3 Cb -0.07 -4.33 -0.26 0.00 -1.06 0.00 0.00 42.46 36.74 1auu s ILE 3 CO 0.30 -0.78 0.99 0.50 -0.10 0.00 0.00 174.94 175.85 1auu h LYS 4 N 9.02 0.19 -3.86 2.79 1.63 -1.03 -2.32 116.57 122.99 1auu h LYS 4 Ca -0.26 -0.33 -0.10 0.00 -0.85 0.00 0.00 60.65 59.12 1auu h LYS 4 Cb 1.09 0.12 -0.13 0.00 -0.60 0.00 0.00 32.23 32.71 1auu h LYS 4 CO 0.97 1.07 -0.34 0.50 -3.45 0.00 0.00 179.45 178.20 1auu s ARG 5 N -2.64 1.02 -0.14 1.90 3.52 0.25 -4.95 118.95 117.90 1auu s ARG 5 Ca -0.06 -1.08 0.01 0.00 -0.13 0.00 0.00 55.73 54.47 1auu s ARG 5 Cb 0.08 0.36 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 1auu s ARG 5 CO 0.85 -0.35 -0.16 0.42 -0.81 0.00 0.00 175.30 175.25 1auu s ILE 6 N -3.92 1.70 -0.15 4.11 1.09 -1.26 -0.54 121.20 122.23 1auu s ILE 6 Ca 0.12 -0.73 -0.23 0.00 -1.10 0.00 0.00 60.65 58.70 1auu s ILE 6 Cb 0.04 -1.56 -0.24 0.00 -1.06 0.00 0.00 42.46 39.64 1auu s ILE 6 CO -0.05 0.48 0.53 -0.07 -0.10 0.00 0.00 174.94 175.73 1auu h LEU 7 N 7.82 0.10 0.00 2.97 3.38 -1.01 -3.47 115.31 125.09 1auu h LEU 7 Ca -0.37 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 56.81 1auu h LEU 7 Cb 1.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1auu h LEU 7 CO 0.54 1.32 0.00 -0.46 0.09 0.00 0.00 178.44 179.93 1auu n ASN 8 N -4.39 0.00 -0.24 -0.43 0.23 -0.53 -4.95 115.26 104.95 1auu n ASN 8 Ca -0.21 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.90 1auu n ASN 8 Cb 0.65 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.65 1auu n ASN 8 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1auu n HIS 9 N 0.00 0.13 0.00 -2.53 -0.00 -1.26 -4.25 115.22 107.31 1auu n HIS 9 Ca 0.00 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.11 1auu n HIS 9 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1auu n HIS 9 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1auu n ASN 10 N -0.23 0.13 -4.79 0.26 3.02 -1.26 -2.20 115.26 110.19 1auu n ASN 10 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 1auu n ASN 10 Cb 0.15 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.39 3.56 -0.09 5.41 0.00 -1.26 -0.99 121.76 127.00 1auu s ALA 11 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 1auu s ALA 11 Cb 0.00 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1auu s ALA 11 CO 0.00 0.28 0.38 0.96 0.00 0.00 0.00 175.76 177.38 1auu s ILE 12 N -0.55 0.02 -0.51 0.00 -4.36 -0.37 -0.32 121.20 115.11 1auu s ILE 12 Ca 0.28 -0.18 -0.23 0.00 -0.26 0.00 0.00 60.65 60.25 1auu s ILE 12 Cb -0.18 -0.60 0.04 0.00 1.25 0.00 0.00 42.46 42.97 1auu s ILE 12 CO 0.16 -0.10 0.86 -0.69 0.24 0.00 0.00 174.94 175.41 1auu s VAL 13 N -0.46 4.52 0.43 8.37 1.01 0.30 -0.04 120.40 134.53 1auu s VAL 13 Ca -0.06 0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1auu s VAL 13 Cb -0.04 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1auu s VAL 13 CO 0.03 -0.94 0.37 0.68 0.00 0.00 0.00 175.10 175.23 1auu s VAL 14 N 3.61 2.55 0.15 2.92 -7.23 0.42 -0.38 120.40 122.45 1auu s VAL 14 Ca 0.29 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.17 1auu s VAL 14 Cb -0.13 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1auu s VAL 14 CO 0.20 0.00 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.27 1auu s LYS 15 N -4.13 1.24 0.35 4.82 1.02 -1.15 0.35 119.74 122.23 1auu s LYS 15 Ca 0.47 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 55.13 1auu s LYS 15 Cb -0.03 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.96 1auu s LYS 15 CO 0.27 0.27 0.37 -3.47 -0.92 0.00 0.00 175.35 171.88 1auu n ASP 16 N 0.41 -1.00 -0.21 2.83 2.03 0.06 -3.89 116.55 116.78 1auu n ASP 16 Ca -0.14 -3.11 -0.01 0.00 0.52 0.00 0.00 54.79 52.05 1auu n ASP 16 Cb 0.57 2.07 0.10 0.00 -0.72 0.00 0.00 41.12 43.14 1auu n ASP 16 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1auu h GLN 17 N 0.00 0.54 0.23 -0.67 4.20 -2.02 -2.79 115.11 114.61 1auu h GLN 17 Ca -0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1auu h GLN 17 Cb 1.22 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1auu h GLN 17 CO 0.36 0.36 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.86 1auu h ASN 18 N 0.56 -0.26 0.00 1.46 2.35 -2.04 -3.49 115.58 114.15 1auu h ASN 18 Ca 0.30 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1auu h ASN 18 Cb 0.26 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1auu h ASN 18 CO -0.22 0.05 0.00 1.21 -1.65 0.00 0.00 177.43 176.81 1auu n GLU 19 N -5.11 -0.49 -2.45 0.81 2.13 -1.05 -5.14 120.64 109.34 1auu n GLU 19 Ca -0.09 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.36 1auu n GLU 19 Cb 0.23 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.91 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 -0.53 4.10 -0.07 5.31 2.12 -1.26 -0.76 118.70 127.61 1auu s GLU 20 Ca 0.00 1.62 -0.08 0.00 0.36 0.00 0.00 54.97 56.87 1auu s GLU 20 Cb 0.00 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.84 1auu s GLU 20 CO 0.00 -0.23 0.22 -1.59 -0.54 0.00 0.00 175.26 173.13 1auu s LYS 21 N -2.45 0.34 -0.01 4.30 -2.85 0.15 -4.12 119.74 115.09 1auu s LYS 21 Ca 0.58 0.17 -0.26 0.00 -1.00 0.00 0.00 55.97 55.46 1auu s LYS 21 Cb -0.25 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.64 1auu s LYS 21 CO 0.31 -0.06 0.79 0.42 0.10 0.00 0.00 175.35 176.92 1auu s ILE 22 N -0.24 4.89 -0.36 3.79 -1.09 0.30 -0.44 121.20 128.06 1auu s ILE 22 Ca -0.03 1.67 -0.05 0.00 -2.23 0.00 0.00 60.65 60.00 1auu s ILE 22 Cb -0.03 -4.14 0.07 0.00 -1.58 0.00 0.00 42.46 36.78 1auu s ILE 22 CO 0.01 0.27 0.13 -0.22 -1.23 0.00 0.00 174.94 173.89 1auu s LEU 23 N 0.56 4.57 -0.32 2.97 2.96 0.94 -0.39 118.68 129.97 1auu s LEU 23 Ca 0.42 -1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 52.75 1auu s LEU 23 Cb -0.20 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1auu s LEU 23 CO 0.22 -0.40 0.21 -0.76 -1.32 0.00 0.00 176.35 174.30 1auu s LEU 24 N 1.30 4.33 -0.24 -0.68 1.43 -0.84 -1.24 118.68 122.74 1auu s LEU 24 Ca 0.01 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1auu s LEU 24 Cb -0.21 -2.10 0.10 0.00 0.03 0.00 0.00 46.19 44.02 1auu s LEU 24 CO -0.00 -0.20 0.53 -0.83 0.23 0.00 0.00 176.35 176.08 1auu s GLY 25 N 1.70 -0.53 -0.43 -3.19 0.00 -0.16 -0.13 107.32 104.58 1auu s GLY 25 Ca 0.06 1.91 -0.30 0.00 0.00 0.00 0.00 44.72 46.39 1auu s GLY 25 CO 0.09 2.62 2.32 0.00 0.00 0.00 0.00 173.10 178.13 1auu n ALA 26 N 5.25 1.08 -0.06 3.20 0.00 -1.26 0.52 120.51 129.25 1auu n ALA 26 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1auu n ALA 26 Cb 0.50 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 6.20 0.59 0.18 0.00 0.00 -0.94 -4.97 105.19 106.26 1auu n GLY 27 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.37 1auu n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1auu h ILE 28 N 0.00 0.87 -0.84 -0.61 1.08 0.23 -1.12 117.51 117.12 1auu h ILE 28 Ca 0.00 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1auu h ILE 28 Cb 0.00 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.21 1auu h ILE 28 CO 0.00 0.06 0.55 0.00 -0.69 0.00 0.00 178.15 178.07 1auu h ALA 29 N 1.28 1.45 -2.75 1.87 0.00 -1.67 -3.39 119.26 116.06 1auu h ALA 29 Ca 0.20 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.56 1auu h ALA 29 Cb 0.19 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.70 1auu h ALA 29 CO -0.21 0.48 0.49 0.12 0.00 0.00 0.00 179.25 180.13 1auu s PHE 30 N -5.91 3.37 -0.74 0.00 5.36 -0.42 -3.02 117.98 116.61 1auu s PHE 30 Ca -0.11 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1auu s PHE 30 Cb 0.18 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 1auu s PHE 30 CO 0.79 -0.86 0.00 -1.71 -1.46 0.00 0.00 175.22 171.99 1auu n ASN 31 N 0.71 -3.21 -3.82 6.13 2.85 -1.26 -4.96 115.26 111.71 1auu n ASN 31 Ca 0.01 0.05 -0.09 0.00 -0.11 0.00 0.00 54.58 54.44 1auu n ASN 31 Cb 0.46 -2.21 -0.04 0.00 1.24 0.00 0.00 39.78 39.23 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 -3.92 1.50 0.38 1.20 1.02 -1.17 -4.89 119.74 113.86 1auu s LYS 32 Ca 0.00 -0.97 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 1auu s LYS 32 Cb 0.00 0.53 0.04 0.00 -0.52 0.00 0.00 37.83 37.88 1auu s LYS 32 CO 0.00 -0.65 0.72 0.21 -0.92 0.00 0.00 175.35 174.71 1auu s LYS 33 N -3.91 2.17 0.17 1.68 2.20 -1.26 -4.98 119.74 115.80 1auu s LYS 33 Ca 0.12 -1.52 -0.32 0.00 -0.36 0.00 0.00 55.97 53.90 1auu s LYS 33 Cb -0.02 0.59 -0.10 0.00 -1.51 0.00 0.00 37.83 36.78 1auu s LYS 33 CO 0.02 -1.00 1.59 0.21 -0.36 0.00 0.00 175.35 175.81 1auu s LYS 34 N -2.45 4.20 0.00 4.03 2.47 -1.26 -1.65 119.74 125.08 1auu s LYS 34 Ca 0.19 2.39 0.00 0.00 -1.56 0.00 0.00 55.97 56.99 1auu s LYS 34 Cb -0.04 -3.15 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1auu s LYS 34 CO 0.14 -0.63 0.00 -1.71 0.16 0.00 0.00 175.35 173.31 1auu n ASN 35 N 4.01 -0.73 -4.84 1.43 5.15 -0.87 -4.89 115.26 114.52 1auu n ASN 35 Ca 0.14 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.75 1auu n ASN 35 Cb 0.38 -0.75 -0.06 0.00 -0.53 0.00 0.00 39.78 38.82 1auu n ASN 35 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1auu s ASP 36 N -2.60 6.77 0.41 1.20 2.15 -0.66 -4.74 116.67 119.19 1auu s ASP 36 Ca 0.00 0.92 -0.26 0.00 0.43 0.00 0.00 52.55 53.65 1auu s ASP 36 Cb 0.00 -2.23 -0.09 0.00 -0.30 0.00 0.00 42.92 40.30 1auu s ASP 36 CO 0.00 0.29 1.28 -0.63 -0.17 0.00 0.00 175.17 175.94 1auu s ILE 37 N -1.16 2.71 -0.08 4.11 -1.09 -1.26 -2.44 121.20 121.99 1auu s ILE 37 Ca 0.26 0.63 -0.15 0.00 -2.23 0.00 0.00 60.65 59.15 1auu s ILE 37 Cb -0.16 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1auu s ILE 37 CO 0.14 0.08 0.39 0.54 -1.23 0.00 0.00 174.94 174.87 1auu s VAL 38 N -1.29 5.16 0.25 2.92 0.11 -0.72 -4.89 120.40 121.94 1auu s VAL 38 Ca 0.57 0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 60.10 1auu s VAL 38 Cb -0.37 -3.71 -0.10 0.00 -1.53 0.00 0.00 36.38 30.67 1auu s VAL 38 CO 0.47 0.46 1.38 -0.62 -3.33 0.00 0.00 175.10 173.46 1auu s ASP 39 N -0.19 6.74 0.24 3.54 2.15 -1.26 -4.91 116.67 122.98 1auu s ASP 39 Ca 0.22 2.60 0.01 0.00 0.43 0.00 0.00 52.55 55.82 1auu s ASP 39 Cb -0.15 -2.62 0.26 0.00 -0.30 0.00 0.00 42.92 40.10 1auu s ASP 39 CO 0.10 -0.62 1.59 1.55 -0.17 0.00 0.00 175.17 177.61 1auu h PRO 40 N 4.80 0.41 -0.07 4.34 0.13 -1.96 -2.56 132.00 137.08 1auu h PRO 40 Ca -0.46 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.41 1auu h PRO 40 Cb 1.22 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1auu h PRO 40 CO 0.75 0.81 -0.08 1.03 -0.23 0.00 0.00 178.00 180.28 1auu h SER 41 N 0.32 0.10 1.82 1.44 0.87 -2.05 -0.71 113.55 115.34 1auu h SER 41 Ca 0.02 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1auu h SER 41 Cb 0.98 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1auu h SER 41 CO 0.08 0.20 -0.18 0.11 -0.53 0.00 0.00 176.83 176.51 1auu h LYS 42 N 0.11 0.00 -6.33 2.24 1.79 -1.87 -3.43 116.57 109.08 1auu h LYS 42 Ca 0.02 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.95 1auu h LYS 42 Cb 0.21 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.81 1auu h LYS 42 CO 0.01 0.14 1.17 0.42 -1.08 0.00 0.00 179.45 180.11 1auu s ILE 43 N -3.14 3.68 -0.08 1.86 1.01 -0.27 -4.33 121.20 119.93 1auu s ILE 43 Ca 0.06 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.26 1auu s ILE 43 Cb 0.06 -4.20 -0.27 0.00 0.01 0.00 0.00 42.46 38.06 1auu s ILE 43 CO 0.70 -0.96 0.54 -0.33 0.00 0.00 0.00 174.94 174.89 1auu h GLU 44 N 11.94 0.25 -4.10 2.79 3.07 -1.71 -3.48 114.58 123.34 1auu h GLU 44 Ca -0.28 -0.43 -0.15 0.00 -0.50 0.00 0.00 59.36 58.00 1auu h GLU 44 Cb 1.12 0.16 -0.18 0.00 -0.84 0.00 0.00 28.75 29.00 1auu h GLU 44 CO 1.15 1.12 -0.69 0.15 -1.40 0.00 0.00 179.01 179.34 1auu s LYS 45 N -2.58 0.45 -0.23 2.33 1.02 0.82 -4.99 119.74 116.56 1auu s LYS 45 Ca -0.17 -0.89 -0.04 0.00 0.02 0.00 0.00 55.97 54.90 1auu s LYS 45 Cb 0.07 0.16 0.08 0.00 -0.52 0.00 0.00 37.83 37.61 1auu s LYS 45 CO 0.81 -0.08 0.08 0.99 -0.92 0.00 0.00 175.35 176.23 1auu s THR 46 N -2.57 0.24 0.03 2.17 2.01 -1.26 -1.99 115.64 114.27 1auu s THR 46 Ca -0.06 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1auu s THR 46 Cb -0.02 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1auu s THR 46 CO -0.05 -0.42 0.08 -0.36 -0.69 0.00 0.00 174.62 173.18 1auu s PHE 47 N 1.97 3.25 -0.01 4.92 0.40 0.48 -4.91 117.98 124.08 1auu s PHE 47 Ca 0.04 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 1auu s PHE 47 Cb -0.17 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1auu s PHE 47 CO -0.18 0.54 -0.06 0.42 0.70 0.00 0.00 175.22 176.64 1auu s ILE 48 N -1.29 0.50 0.35 0.64 1.01 -1.26 0.11 121.20 121.26 1auu s ILE 48 Ca 0.26 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.39 1auu s ILE 48 Cb -0.12 -0.45 -0.12 0.00 0.01 0.00 0.00 42.46 41.78 1auu s ILE 48 CO 0.18 0.16 1.41 -2.11 0.00 0.00 0.00 174.94 174.58 1auu n ARG 49 N 3.16 2.42 -1.61 2.79 1.85 -1.26 -4.84 116.66 119.18 1auu n ARG 49 Ca -0.16 0.85 -0.44 0.00 -1.00 0.00 0.00 57.85 57.11 1auu n ARG 49 Cb 0.56 -2.52 -0.03 0.00 -1.05 0.00 0.00 32.46 29.42 1auu n ARG 49 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1auu n LYS 50 N 0.72 2.13 -0.07 2.89 0.00 -1.26 -4.85 118.16 117.71 1auu n LYS 50 Ca 0.04 0.65 -0.14 0.00 0.00 0.00 0.00 58.31 58.87 1auu n LYS 50 Cb 0.37 -3.10 -0.06 0.00 0.00 0.00 0.00 35.03 32.25 1auu n LYS 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1auu h ASP 51 N 13.53 0.65 -4.01 3.14 3.58 -2.02 -3.44 116.42 127.85 1auu h ASP 51 Ca -0.43 -0.50 -0.51 0.00 0.42 0.00 0.00 57.03 56.02 1auu h ASP 51 Cb 1.25 -0.18 0.06 0.00 1.72 0.00 0.00 39.33 42.18 1auu h ASP 51 CO 0.96 1.02 0.48 0.42 -2.88 0.00 0.00 179.24 179.24 1auu s THR 52 N -4.24 3.11 -0.04 2.25 -4.23 -1.26 -4.99 115.64 106.24 1auu s THR 52 Ca -0.13 0.82 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1auu s THR 52 Cb 0.07 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.48 1auu s THR 52 CO 0.81 -0.02 0.21 1.55 -0.54 0.00 0.00 174.62 176.63 1auu h PRO 53 N 1.99 -0.12 0.00 3.99 0.13 -2.03 -3.44 132.00 132.52 1auu h PRO 53 Ca -0.49 0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1auu h PRO 53 Cb 1.25 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1auu h PRO 53 CO 0.60 -0.08 -1.38 -3.47 -0.23 0.00 0.00 178.00 173.44 1auu n ASP 54 N -3.62 1.23 -0.08 1.44 2.03 -1.26 -5.17 116.55 111.12 1auu n ASP 54 Ca -0.01 0.20 0.01 0.00 0.52 0.00 0.00 54.79 55.51 1auu n ASP 54 Cb 0.05 -0.48 0.01 0.00 -0.72 0.00 0.00 41.12 39.98 1auu n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28