#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 2.46 -0.39 0.03 1.02 -1.26 -0.23 119.74 121.38 1auu s LYS 2 Ca 0.00 -1.04 -0.07 0.00 0.02 0.00 0.00 55.97 54.88 1auu s LYS 2 Cb 0.00 -2.55 0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1auu s LYS 2 CO 0.00 -0.73 0.19 0.42 -0.92 0.00 0.00 175.35 174.31 1auu s ILE 3 N -2.71 3.97 0.05 2.17 1.01 -1.11 -3.44 121.20 121.13 1auu s ILE 3 Ca 0.59 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1auu s ILE 3 Cb -0.09 -3.38 -0.25 0.00 0.01 0.00 0.00 42.46 38.75 1auu s ILE 3 CO 0.38 -0.39 1.02 0.50 0.00 0.00 0.00 174.94 176.45 1auu h LYS 4 N 8.30 0.13 -4.37 2.79 3.64 -0.82 0.24 116.57 126.48 1auu h LYS 4 Ca -0.22 -0.22 -0.27 0.00 -1.27 0.00 0.00 60.65 58.67 1auu h LYS 4 Cb 1.08 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.87 1auu h LYS 4 CO 0.69 1.00 -0.39 0.50 -2.27 0.00 0.00 179.45 178.98 1auu s ARG 5 N -2.65 1.58 -0.10 1.90 3.52 0.77 -4.91 118.95 119.07 1auu s ARG 5 Ca -0.04 -1.69 -0.00 0.00 -0.13 0.00 0.00 55.73 53.87 1auu s ARG 5 Cb 0.08 0.36 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 1auu s ARG 5 CO 0.84 -0.60 -0.06 0.42 -0.81 0.00 0.00 175.30 175.09 1auu s ILE 6 N -3.67 0.88 -0.17 4.11 -1.09 -1.26 -1.61 121.20 118.39 1auu s ILE 6 Ca 0.34 -0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.36 1auu s ILE 6 Cb 0.03 -0.92 -0.23 0.00 -1.58 0.00 0.00 42.46 39.76 1auu s ILE 6 CO 0.17 0.34 0.37 -0.07 -1.23 0.00 0.00 174.94 174.52 1auu h LEU 7 N 8.07 0.13 0.00 2.97 3.38 -1.18 -3.46 115.31 125.21 1auu h LEU 7 Ca -0.28 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1auu h LEU 7 Cb 1.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1auu h LEU 7 CO 0.39 1.51 0.00 -0.46 0.09 0.00 0.00 178.44 179.97 1auu n ASN 8 N -4.23 0.00 -0.06 -0.43 0.23 -0.34 -4.93 115.26 105.50 1auu n ASN 8 Ca -0.28 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.90 1auu n ASN 8 Cb 0.75 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.21 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 0.01 0.00 -2.53 -0.00 -1.26 -4.16 115.22 107.27 1auu n HIS 9 Ca 0.00 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 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 -0.79 1.00 -4.83 0.26 3.02 -1.26 -1.85 115.26 110.80 1auu n ASN 10 Ca 0.20 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.37 1auu n ASN 10 Cb 0.12 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.40 3.69 -0.04 5.41 0.00 -1.26 -0.62 121.76 127.54 1auu s ALA 11 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 1auu s ALA 11 Cb 0.00 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1auu s ALA 11 CO 0.00 0.48 0.31 0.96 0.00 0.00 0.00 175.76 177.50 1auu s ILE 12 N -1.07 0.04 -0.49 0.00 -4.36 -0.44 -0.61 121.20 114.28 1auu s ILE 12 Ca 0.24 -0.36 -0.22 0.00 -0.26 0.00 0.00 60.65 60.05 1auu s ILE 12 Cb -0.17 -0.56 0.04 0.00 1.25 0.00 0.00 42.46 43.01 1auu s ILE 12 CO 0.14 -0.20 0.78 -0.69 0.24 0.00 0.00 174.94 175.21 1auu s VAL 13 N -0.92 4.64 0.40 8.37 1.01 -0.64 -0.35 120.40 132.91 1auu s VAL 13 Ca -0.10 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.12 1auu s VAL 13 Cb -0.05 -4.37 0.06 0.00 0.00 0.00 0.00 36.38 32.03 1auu s VAL 13 CO 0.03 -0.83 0.51 1.33 0.00 0.00 0.00 175.10 176.14 1auu n VAL 14 N 6.02 0.00 -3.71 2.92 0.24 0.38 -0.13 118.33 124.05 1auu n VAL 14 Ca 0.00 -1.37 -0.14 0.00 -2.04 0.00 0.00 64.34 60.79 1auu n VAL 14 Cb 0.47 -0.58 -0.14 0.00 -1.47 0.00 0.00 33.84 32.12 1auu n VAL 14 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1auu s LYS 15 N -3.78 0.10 0.38 7.34 0.00 -1.22 0.26 119.74 122.82 1auu s LYS 15 Ca 0.39 0.50 0.03 0.00 0.00 0.00 0.00 55.97 56.88 1auu s LYS 15 Cb -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 37.83 37.64 1auu s LYS 15 CO 0.25 -0.22 0.21 -3.47 0.00 0.00 0.00 175.35 172.12 1auu n ASP 16 N 4.67 2.43 -0.24 0.03 2.03 0.52 -4.23 116.55 121.75 1auu n ASP 16 Ca -0.18 -2.39 -0.05 0.00 0.52 0.00 0.00 54.79 52.69 1auu n ASP 16 Cb 0.51 0.04 0.06 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.88 0.28 -0.67 1.08 -2.01 -2.99 115.11 111.67 1auu h GLN 17 Ca -0.26 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 1auu h GLN 17 Cb 0.90 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1auu h GLN 17 CO 0.41 0.58 -0.13 -0.91 -0.95 0.00 0.00 178.83 177.83 1auu h ASN 18 N 0.90 -0.32 0.00 1.46 2.35 -2.05 -3.49 115.58 114.44 1auu h ASN 18 Ca 0.25 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1auu h ASN 18 Cb -0.08 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1auu h ASN 18 CO -0.06 -0.13 0.00 -1.84 -1.65 0.00 0.00 177.43 173.75 1auu n GLU 19 N -5.20 0.00 -2.22 0.81 0.28 -1.13 -5.14 120.64 108.04 1auu n GLU 19 Ca -0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.52 1auu n GLU 19 Cb 0.20 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.06 1auu n GLU 19 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1auu s GLU 20 N -0.08 3.91 0.37 3.44 2.12 -1.26 -0.36 118.70 126.84 1auu s GLU 20 Ca 0.00 1.90 0.04 0.00 0.36 0.00 0.00 54.97 57.26 1auu s GLU 20 Cb 0.00 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 1auu s GLU 20 CO 0.00 -0.46 0.12 0.15 -0.54 0.00 0.00 175.26 174.54 1auu s LYS 21 N -2.42 1.79 -0.07 4.30 1.02 0.14 -3.62 119.74 120.89 1auu s LYS 21 Ca 0.59 -2.06 -0.00 0.00 0.02 0.00 0.00 55.97 54.52 1auu s LYS 21 Cb -0.32 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1auu s LYS 21 CO 0.40 -0.41 -0.03 0.42 -0.92 0.00 0.00 175.35 174.81 1auu s ILE 22 N -3.32 0.53 -0.38 2.17 -1.09 0.31 -0.47 121.20 118.94 1auu s ILE 22 Ca 0.29 -0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 1auu s ILE 22 Cb 0.04 -0.61 0.05 0.00 -1.58 0.00 0.00 42.46 40.36 1auu s ILE 22 CO 0.15 0.26 0.21 -0.22 -1.23 0.00 0.00 174.94 174.11 1auu s LEU 23 N 1.52 4.81 -0.45 2.97 1.98 0.52 -0.35 118.68 129.68 1auu s LEU 23 Ca -0.01 -1.17 -0.13 0.00 -2.89 0.00 0.00 54.13 49.92 1auu s LEU 23 Cb -0.13 -1.99 0.07 0.00 0.66 0.00 0.00 46.19 44.80 1auu s LEU 23 CO -0.03 -0.43 0.34 -0.76 -1.89 0.00 0.00 176.35 173.58 1auu s LEU 24 N 1.49 5.44 -0.09 -0.68 1.43 0.43 -1.32 118.68 125.38 1auu s LEU 24 Ca 0.02 -1.37 -0.04 0.00 -1.03 0.00 0.00 54.13 51.71 1auu s LEU 24 Cb -0.20 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1auu s LEU 24 CO 0.05 -0.60 0.18 -0.83 0.23 0.00 0.00 176.35 175.38 1auu s GLY 25 N 2.40 0.00 -0.46 -3.19 0.00 0.21 -0.51 107.32 105.78 1auu s GLY 25 Ca 0.04 0.66 -0.31 0.00 0.00 0.00 0.00 44.72 45.11 1auu s GLY 25 CO 0.05 1.69 2.34 0.00 0.00 0.00 0.00 173.10 177.18 1auu n ALA 26 N 5.24 1.00 -0.23 3.20 0.00 -1.26 0.75 120.51 129.20 1auu n ALA 26 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1auu n ALA 26 Cb 0.50 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 6.25 0.85 0.16 0.00 0.00 -1.01 -4.98 105.19 106.47 1auu n GLY 27 Ca 0.42 0.00 -0.07 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 0.95 -0.81 -0.61 1.08 0.81 -1.31 117.51 117.62 1auu h ILE 28 Ca 0.00 -0.12 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1auu h ILE 28 Cb 0.00 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.29 1auu h ILE 28 CO 0.00 0.06 0.53 0.00 -0.69 0.00 0.00 178.15 178.06 1auu h ALA 29 N 1.21 1.46 -2.73 1.87 0.00 -1.59 -3.39 119.26 116.09 1auu h ALA 29 Ca 0.16 -0.05 -0.51 0.00 0.00 0.00 0.00 54.91 54.52 1auu h ALA 29 Cb 0.10 -0.31 0.05 0.00 0.00 0.00 0.00 17.79 17.62 1auu h ALA 29 CO -0.13 0.48 0.50 0.12 0.00 0.00 0.00 179.25 180.22 1auu s PHE 30 N -5.89 3.14 -0.82 0.00 5.36 -0.49 -2.96 117.98 116.33 1auu s PHE 30 Ca -0.11 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1auu s PHE 30 Cb 0.18 -3.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1auu s PHE 30 CO 0.79 -1.20 0.00 -1.71 -1.46 0.00 0.00 175.22 171.64 1auu n ASN 31 N 0.23 -3.43 -3.55 6.13 5.15 -1.26 -4.95 115.26 113.57 1auu n ASN 31 Ca 0.03 0.07 -0.02 0.00 -0.60 0.00 0.00 54.58 54.06 1auu n ASN 31 Cb 0.46 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.35 1auu n ASN 31 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1auu s LYS 32 N -3.87 1.10 0.31 1.20 2.47 -1.15 -4.90 119.74 114.89 1auu s LYS 32 Ca 0.00 -0.67 -0.11 0.00 -1.56 0.00 0.00 55.97 53.64 1auu s LYS 32 Cb 0.00 0.33 0.01 0.00 -1.46 0.00 0.00 37.83 36.72 1auu s LYS 32 CO 0.00 -0.51 0.56 -1.59 0.16 0.00 0.00 175.35 173.97 1auu s LYS 33 N -2.56 1.83 0.23 4.03 -2.85 -1.26 -4.93 119.74 114.23 1auu s LYS 33 Ca 0.18 -1.44 -0.31 0.00 -1.00 0.00 0.00 55.97 53.40 1auu s LYS 33 Cb -0.01 0.50 -0.11 0.00 -2.06 0.00 0.00 37.83 36.15 1auu s LYS 33 CO 0.03 -0.79 1.62 0.21 0.10 0.00 0.00 175.35 176.52 1auu s LYS 34 N -3.34 4.15 0.00 1.78 2.36 -1.26 -1.43 119.74 122.00 1auu s LYS 34 Ca 0.23 2.53 0.00 0.00 -2.55 0.00 0.00 55.97 56.17 1auu s LYS 34 Cb -0.02 -3.07 0.00 0.00 -1.05 0.00 0.00 37.83 33.69 1auu s LYS 34 CO 0.13 -0.65 0.00 -1.71 1.55 0.00 0.00 175.35 174.67 1auu n ASN 35 N 3.19 0.00 -4.85 1.43 2.85 0.85 -4.90 115.26 113.83 1auu n ASN 35 Ca 0.12 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.27 1auu n ASN 35 Cb 0.37 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.34 1auu n ASN 35 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1auu s ASP 36 N -3.51 6.74 0.53 1.20 2.15 -0.51 -4.47 116.67 118.80 1auu s ASP 36 Ca 0.00 1.35 -0.22 0.00 0.43 0.00 0.00 52.55 54.12 1auu s ASP 36 Cb 0.00 -2.41 -0.05 0.00 -0.30 0.00 0.00 42.92 40.16 1auu s ASP 36 CO 0.00 -0.31 1.29 -0.63 -0.17 0.00 0.00 175.17 175.35 1auu s ILE 37 N -2.16 2.40 0.17 4.11 -1.09 -1.26 -2.77 121.20 120.60 1auu s ILE 37 Ca 0.55 0.29 -0.30 0.00 -2.23 0.00 0.00 60.65 58.97 1auu s ILE 37 Cb -0.10 -3.14 -0.07 0.00 -1.58 0.00 0.00 42.46 37.57 1auu s ILE 37 CO 0.21 -0.01 0.98 0.54 -1.23 0.00 0.00 174.94 175.42 1auu s VAL 38 N -1.40 4.22 -0.04 2.92 0.11 0.69 -4.87 120.40 122.03 1auu s VAL 38 Ca 0.71 1.99 -0.30 0.00 -2.93 0.00 0.00 61.98 61.45 1auu s VAL 38 Cb -0.36 -4.27 -0.04 0.00 -1.53 0.00 0.00 36.38 30.17 1auu s VAL 38 CO 0.42 0.38 1.32 -0.62 -3.33 0.00 0.00 175.10 173.28 1auu s ASP 39 N -0.46 6.92 0.24 3.54 2.15 -1.26 -4.91 116.67 122.90 1auu s ASP 39 Ca 0.45 1.96 0.02 0.00 0.43 0.00 0.00 52.55 55.42 1auu s ASP 39 Cb -0.25 -2.56 0.28 0.00 -0.30 0.00 0.00 42.92 40.09 1auu s ASP 39 CO 0.32 -0.68 1.61 1.55 -0.17 0.00 0.00 175.17 177.79 1auu h PRO 40 N 7.81 0.38 0.00 4.34 0.13 -1.96 -2.17 132.00 140.54 1auu h PRO 40 Ca -0.35 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 1auu h PRO 40 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1auu h PRO 40 CO 0.90 0.78 -0.14 1.03 -0.23 0.00 0.00 178.00 180.35 1auu h SER 41 N 0.31 0.00 1.22 1.44 0.87 -2.05 -1.24 113.55 114.11 1auu h SER 41 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1auu h SER 41 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1auu h SER 41 CO 0.08 0.14 -0.67 0.11 -0.53 0.00 0.00 176.83 175.96 1auu h LYS 42 N 0.00 0.00 -6.16 2.24 1.57 -1.85 -3.46 116.57 108.90 1auu h LYS 42 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1auu h LYS 42 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.60 1auu h LYS 42 CO 0.02 0.00 1.24 -0.89 -0.57 0.00 0.00 179.45 179.24 1auu n ILE 43 N -2.66 0.47 -0.01 1.86 -0.00 -0.47 -4.29 119.36 114.26 1auu n ILE 43 Ca 0.02 -0.20 -0.01 0.00 -0.00 0.00 0.00 62.75 62.55 1auu n ILE 43 Cb 0.52 -1.96 -0.03 0.00 -0.00 0.00 0.00 39.64 38.18 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 7.36 3.28 -3.65 0.38 1.02 -1.07 -4.98 120.64 122.98 1auu n GLU 44 Ca 0.28 -0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.38 1auu n GLU 44 Cb 0.31 -1.08 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.09 0.57 -0.22 3.49 1.02 0.33 -4.97 119.74 117.88 1auu s LYS 45 Ca -0.02 1.33 -0.07 0.00 0.02 0.00 0.00 55.97 57.24 1auu s LYS 45 Cb 0.01 0.61 -0.03 0.00 -0.52 0.00 0.00 37.83 37.90 1auu s LYS 45 CO 0.13 -0.19 0.05 0.99 -0.92 0.00 0.00 175.35 175.41 1auu s THR 46 N 2.53 4.41 0.04 2.17 2.01 -1.26 -0.43 115.64 125.11 1auu s THR 46 Ca -0.07 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1auu s THR 46 Cb -0.10 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1auu s THR 46 CO -0.18 0.40 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.55 1auu s PHE 47 N 1.06 2.40 -0.02 4.92 0.40 0.52 -4.93 117.98 122.34 1auu s PHE 47 Ca 0.04 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1auu s PHE 47 Cb -0.14 -1.42 -0.00 0.00 0.51 0.00 0.00 43.02 41.96 1auu s PHE 47 CO 0.03 0.16 -0.10 0.42 0.70 0.00 0.00 175.22 176.43 1auu s ILE 48 N -0.84 0.88 0.37 0.64 1.01 -1.26 0.11 121.20 122.11 1auu s ILE 48 Ca 0.13 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 1auu s ILE 48 Cb -0.10 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.51 1auu s ILE 48 CO 0.03 0.26 1.37 0.00 0.00 0.00 0.00 174.94 176.60 1auu s ARG 49 N 0.04 4.16 -0.22 2.79 1.70 -1.24 -4.87 118.95 121.32 1auu s ARG 49 Ca -0.01 2.32 -0.28 0.00 -0.47 0.00 0.00 55.73 57.29 1auu s ARG 49 Cb -0.08 -2.95 -0.05 0.00 -0.57 0.00 0.00 34.95 31.30 1auu s ARG 49 CO 0.00 -0.39 2.17 0.21 -1.08 0.00 0.00 175.30 176.21 1auu s LYS 50 N -2.01 3.20 -0.07 3.89 2.47 -1.26 -4.86 119.74 121.08 1auu s LYS 50 Ca 0.52 2.00 -0.09 0.00 -1.56 0.00 0.00 55.97 56.84 1auu s LYS 50 Cb -0.42 -4.35 -0.06 0.00 -1.46 0.00 0.00 37.83 31.54 1auu s LYS 50 CO 0.55 -2.03 0.36 0.22 0.16 0.00 0.00 175.35 174.62 1auu h ASP 51 N 14.64 -0.18 -4.83 1.43 3.58 -2.01 -3.47 116.42 125.58 1auu h ASP 51 Ca -0.41 -0.10 -0.16 0.00 0.42 0.00 0.00 57.03 56.78 1auu h ASP 51 Cb 1.23 0.05 -0.22 0.00 1.72 0.00 0.00 39.33 42.11 1auu h ASP 51 CO 0.97 0.33 -0.59 0.42 -2.88 0.00 0.00 179.24 177.49 1auu s THR 52 N -2.42 0.08 -0.00 2.25 -4.23 -1.26 -5.10 115.64 104.97 1auu s THR 52 Ca -0.05 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1auu s THR 52 Cb 0.00 -0.32 -0.00 0.00 1.34 0.00 0.00 72.50 73.52 1auu s THR 52 CO 0.18 -0.38 0.20 1.55 -0.54 0.00 0.00 174.62 175.62 1auu h PRO 53 N 4.65 -0.02 0.00 3.99 0.13 -2.03 -3.45 132.00 135.27 1auu h PRO 53 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1auu h PRO 53 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1auu h PRO 53 CO 0.41 -0.01 -0.99 -3.47 -0.23 0.00 0.00 178.00 173.71 1auu n ASP 54 N -2.19 4.07 0.00 1.44 -0.08 -1.26 -5.27 116.55 113.26 1auu n ASP 54 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1auu n ASP 54 Cb 0.01 0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1auu n ASP 54 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10