#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 2.69 -0.55 0.03 1.02 -1.26 -0.69 119.74 120.98 1auu s LYS 2 Ca 0.00 0.09 -0.19 0.00 0.02 0.00 0.00 55.97 55.89 1auu s LYS 2 Cb 0.00 -2.16 0.08 0.00 -0.52 0.00 0.00 37.83 35.24 1auu s LYS 2 CO 0.00 -0.97 0.66 0.42 -0.92 0.00 0.00 175.35 174.54 1auu s ILE 3 N -3.19 4.86 0.09 2.17 1.01 -0.50 -2.84 121.20 122.80 1auu s ILE 3 Ca 0.57 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1auu s ILE 3 Cb -0.11 -4.40 -0.20 0.00 0.01 0.00 0.00 42.46 37.76 1auu s ILE 3 CO 0.47 -0.97 1.23 0.50 0.00 0.00 0.00 174.94 176.17 1auu h LYS 4 N 9.09 0.73 -4.25 2.79 3.64 -0.46 0.21 116.57 128.32 1auu h LYS 4 Ca -0.29 -0.72 -0.17 0.00 -1.27 0.00 0.00 60.65 58.21 1auu h LYS 4 Cb 1.09 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1auu h LYS 4 CO 1.04 1.30 -0.49 1.03 -2.27 0.00 0.00 179.45 180.06 1auu s ARG 5 N -3.47 1.15 -0.16 1.90 0.52 0.21 -4.88 118.95 114.22 1auu s ARG 5 Ca -0.10 -1.41 0.01 0.00 -0.52 0.00 0.00 55.73 53.71 1auu s ARG 5 Cb 0.08 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.89 1auu s ARG 5 CO 0.92 -0.39 -0.14 0.42 0.02 0.00 0.00 175.30 176.12 1auu s ILE 6 N -4.06 1.67 -0.11 1.52 1.09 -1.26 -0.65 121.20 119.40 1auu s ILE 6 Ca 0.27 -0.77 -0.24 0.00 -1.10 0.00 0.00 60.65 58.81 1auu s ILE 6 Cb 0.05 -1.59 -0.28 0.00 -1.06 0.00 0.00 42.46 39.58 1auu s ILE 6 CO 0.06 0.40 0.75 -0.07 -0.10 0.00 0.00 174.94 175.98 1auu h LEU 7 N 8.02 0.23 0.00 2.97 3.38 -1.28 -3.47 115.31 125.15 1auu h LEU 7 Ca -0.37 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.67 1auu h LEU 7 Cb 1.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1auu h LEU 7 CO 0.53 1.26 0.00 -0.46 0.09 0.00 0.00 178.44 179.87 1auu n ASN 8 N -4.33 0.00 0.00 -0.43 0.23 -0.36 -4.93 115.26 105.44 1auu n ASN 8 Ca -0.15 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.04 1auu n ASN 8 Cb 0.68 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.10 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 0.00 0.00 -2.53 -0.00 -1.26 -4.07 115.22 107.36 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 -0.29 0.00 0.00 -0.12 0.00 0.00 29.99 29.58 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 -1.29 3.01 -4.88 0.26 3.02 -1.26 -1.98 115.26 112.13 1auu n ASN 10 Ca 0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.32 1auu n ASN 10 Cb 0.23 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.68 3.89 -0.08 5.41 0.00 -1.26 -0.20 121.76 127.84 1auu s ALA 11 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 1auu s ALA 11 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1auu s ALA 11 CO 0.00 0.64 0.37 0.96 0.00 0.00 0.00 175.76 177.72 1auu s ILE 12 N -1.08 0.02 -0.37 0.00 -4.36 -0.30 -0.77 121.20 114.34 1auu s ILE 12 Ca 0.17 -0.21 -0.21 0.00 -0.26 0.00 0.00 60.65 60.15 1auu s ILE 12 Cb -0.12 -0.59 0.01 0.00 1.25 0.00 0.00 42.46 43.00 1auu s ILE 12 CO 0.07 -0.11 0.68 -0.69 0.24 0.00 0.00 174.94 175.12 1auu s VAL 13 N -0.53 4.84 0.49 8.37 1.01 0.18 -0.38 120.40 134.39 1auu s VAL 13 Ca -0.06 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1auu s VAL 13 Cb -0.04 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1auu s VAL 13 CO 0.03 -0.38 0.32 0.68 0.00 0.00 0.00 175.10 175.74 1auu s VAL 14 N 2.83 1.90 0.09 2.92 -7.23 0.76 0.29 120.40 121.96 1auu s VAL 14 Ca 0.26 -1.56 0.10 0.00 -1.81 0.00 0.00 61.98 58.97 1auu s VAL 14 Cb -0.14 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1auu s VAL 14 CO 0.16 0.00 -0.26 -0.54 -0.31 0.00 0.00 175.10 174.15 1auu s LYS 15 N -4.14 1.50 0.34 4.82 1.02 -1.13 0.11 119.74 122.26 1auu s LYS 15 Ca 0.35 -1.21 0.07 0.00 0.02 0.00 0.00 55.97 55.20 1auu s LYS 15 Cb -0.01 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1auu s LYS 15 CO 0.21 0.45 0.26 -0.51 -0.92 0.00 0.00 175.35 174.84 1auu s ASP 16 N -1.68 1.84 0.22 2.83 1.11 -0.89 -4.11 116.67 116.00 1auu s ASP 16 Ca 0.12 -1.76 -0.08 0.00 0.18 0.00 0.00 52.55 51.02 1auu s ASP 16 Cb -0.10 0.56 0.27 0.00 1.07 0.00 0.00 42.92 44.73 1auu s ASP 16 CO 0.04 -1.05 1.84 1.56 1.18 0.00 0.00 175.17 178.73 1auu h GLN 17 N 2.08 0.83 0.25 8.23 7.50 -2.01 -2.75 115.11 129.25 1auu h GLN 17 Ca -0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 58.83 1auu h GLN 17 Cb 1.24 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.58 1auu h GLN 17 CO 0.39 0.55 -0.12 -0.91 -1.50 0.00 0.00 178.83 177.24 1auu h ASN 18 N 0.86 -0.28 0.00 1.46 2.35 -2.04 -3.48 115.58 114.44 1auu h ASN 18 Ca 0.33 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1auu h ASN 18 Cb 0.14 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1auu h ASN 18 CO -0.16 -0.12 0.00 1.21 -1.65 0.00 0.00 177.43 176.71 1auu n GLU 19 N -5.19 0.00 -4.47 0.81 2.13 -1.04 -5.13 120.64 107.75 1auu n GLU 19 Ca -0.09 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.52 1auu n GLU 19 Cb 0.19 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.75 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 0.00 0.91 0.39 5.31 2.12 -1.26 -2.10 118.70 124.06 1auu s GLU 20 Ca 0.00 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 54.99 1auu s GLU 20 Cb 0.00 -0.87 -0.06 0.00 0.26 0.00 0.00 34.13 33.46 1auu s GLU 20 CO 0.00 0.22 0.04 0.15 -0.54 0.00 0.00 175.26 175.13 1auu s LYS 21 N -0.21 1.86 -0.11 4.30 1.02 0.12 -2.79 119.74 123.93 1auu s LYS 21 Ca 0.03 -2.08 -0.00 0.00 0.02 0.00 0.00 55.97 53.95 1auu s LYS 21 Cb -0.05 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 36.07 1auu s LYS 21 CO -0.00 -0.19 -0.08 0.42 -0.92 0.00 0.00 175.35 174.58 1auu s ILE 22 N -3.01 1.04 -0.39 2.17 -1.09 0.26 -0.17 121.20 120.00 1auu s ILE 22 Ca 0.31 -0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.27 1auu s ILE 22 Cb 0.08 -1.05 0.01 0.00 -1.58 0.00 0.00 42.46 39.92 1auu s ILE 22 CO 0.15 0.37 0.33 -0.22 -1.23 0.00 0.00 174.94 174.34 1auu s LEU 23 N 1.62 4.80 -0.70 2.97 1.98 0.49 -0.74 118.68 129.11 1auu s LEU 23 Ca 0.03 -0.62 -0.07 0.00 -2.89 0.00 0.00 54.13 50.58 1auu s LEU 23 Cb -0.13 -2.24 0.18 0.00 0.66 0.00 0.00 46.19 44.66 1auu s LEU 23 CO -0.07 -0.41 0.56 -0.76 -1.89 0.00 0.00 176.35 173.77 1auu s LEU 24 N 1.86 5.82 -0.09 -0.68 1.43 0.04 -1.15 118.68 125.90 1auu s LEU 24 Ca 0.08 -2.78 0.00 0.00 -1.03 0.00 0.00 54.13 50.41 1auu s LEU 24 Cb -0.18 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1auu s LEU 24 CO 0.11 -0.45 -0.07 -0.83 0.23 0.00 0.00 176.35 175.34 1auu s GLY 25 N 1.28 0.73 -0.62 -3.19 0.00 0.73 -1.68 107.32 104.56 1auu s GLY 25 Ca 0.17 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 44.20 1auu s GLY 25 CO -0.05 0.66 2.49 0.00 0.00 0.00 0.00 173.10 176.19 1auu n ALA 26 N 4.62 0.67 -0.02 3.20 0.00 -1.26 0.31 120.51 128.02 1auu n ALA 26 Ca -0.16 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1auu n ALA 26 Cb 0.50 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.03 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 6.16 0.78 0.36 0.00 0.00 -1.00 -4.97 105.19 106.53 1auu n GLY 27 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.22 -0.83 -0.61 2.10 0.04 -1.08 117.51 118.35 1auu h ILE 28 Ca 0.00 -0.41 -0.02 0.00 1.08 0.00 0.00 64.86 65.52 1auu h ILE 28 Cb 0.00 -0.07 -0.04 0.00 -1.09 0.00 0.00 36.82 35.62 1auu h ILE 28 CO 0.00 0.22 0.45 0.00 -1.08 0.00 0.00 178.15 177.74 1auu h ALA 29 N 1.45 1.23 -2.86 0.18 0.00 -1.62 -3.39 119.26 114.25 1auu h ALA 29 Ca 0.32 -0.13 -0.52 0.00 0.00 0.00 0.00 54.91 54.59 1auu h ALA 29 Cb -0.12 -0.33 0.06 0.00 0.00 0.00 0.00 17.79 17.39 1auu h ALA 29 CO -0.07 0.62 0.60 0.12 0.00 0.00 0.00 179.25 180.52 1auu s PHE 30 N -5.76 3.10 -0.74 0.00 5.36 -0.41 -2.58 117.98 116.95 1auu s PHE 30 Ca -0.12 1.46 -0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1auu s PHE 30 Cb 0.17 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.24 1auu s PHE 30 CO 0.82 -1.67 0.02 -1.71 -1.46 0.00 0.00 175.22 171.22 1auu n ASN 31 N 0.73 -3.09 -3.70 6.13 2.85 -1.26 -4.98 115.26 111.94 1auu n ASN 31 Ca 0.00 -0.02 -0.04 0.00 -0.11 0.00 0.00 54.58 54.42 1auu n ASN 31 Cb 0.43 -2.35 -0.01 0.00 1.24 0.00 0.00 39.78 39.08 1auu n ASN 31 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1auu s LYS 32 N -4.48 1.09 0.33 1.20 2.47 -1.06 -4.89 119.74 114.39 1auu s LYS 32 Ca 0.01 -0.57 -0.13 0.00 -1.56 0.00 0.00 55.97 53.72 1auu s LYS 32 Cb -0.00 0.39 0.02 0.00 -1.46 0.00 0.00 37.83 36.78 1auu s LYS 32 CO 0.01 -0.50 0.64 -1.59 0.16 0.00 0.00 175.35 174.08 1auu s LYS 33 N -3.21 1.94 0.24 4.03 -2.85 -1.26 -4.93 119.74 113.69 1auu s LYS 33 Ca 0.11 -1.40 -0.31 0.00 -1.00 0.00 0.00 55.97 53.37 1auu s LYS 33 Cb -0.01 0.55 -0.12 0.00 -2.06 0.00 0.00 37.83 36.19 1auu s LYS 33 CO -0.00 -0.87 1.65 1.17 0.10 0.00 0.00 175.35 177.40 1auu n LYS 34 N -0.50 2.65 0.00 1.78 0.00 -1.26 -1.22 118.16 119.62 1auu n LYS 34 Ca -0.04 0.95 0.00 0.00 0.00 0.00 0.00 58.31 59.22 1auu n LYS 34 Cb 0.60 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.88 1auu n LYS 34 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1auu n ASN 35 N 3.13 0.00 -4.84 3.14 2.85 0.06 -4.88 115.26 114.72 1auu n ASN 35 Ca 0.13 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.27 1auu n ASN 35 Cb 0.35 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.30 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 -2.16 6.84 0.46 1.20 2.15 -0.36 -4.45 116.67 120.35 1auu s ASP 36 Ca 0.00 1.40 -0.23 0.00 0.43 0.00 0.00 52.55 54.14 1auu s ASP 36 Cb 0.00 -2.42 -0.07 0.00 -0.30 0.00 0.00 42.92 40.13 1auu s ASP 36 CO 0.00 -0.22 1.20 -0.63 -0.17 0.00 0.00 175.17 175.35 1auu s ILE 37 N -1.99 2.94 0.24 4.11 -1.09 -1.26 -1.41 121.20 122.74 1auu s ILE 37 Ca 0.55 0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 59.41 1auu s ILE 37 Cb -0.11 -3.38 -0.09 0.00 -1.58 0.00 0.00 42.46 37.30 1auu s ILE 37 CO 0.17 0.01 1.10 0.54 -1.23 0.00 0.00 174.94 175.53 1auu s VAL 38 N -1.47 3.64 0.03 2.92 0.11 0.14 -4.89 120.40 120.89 1auu s VAL 38 Ca 0.63 1.55 -0.30 0.00 -2.93 0.00 0.00 61.98 60.92 1auu s VAL 38 Cb -0.31 -3.99 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 1auu s VAL 38 CO 0.38 0.33 1.42 -0.62 -3.33 0.00 0.00 175.10 173.28 1auu s ASP 39 N -0.56 6.83 0.18 3.54 -1.08 -1.26 -4.91 116.67 119.41 1auu s ASP 39 Ca 0.47 2.19 -0.05 0.00 -0.52 0.00 0.00 52.55 54.64 1auu s ASP 39 Cb -0.31 -2.57 0.07 0.00 -1.46 0.00 0.00 42.92 38.66 1auu s ASP 39 CO 0.38 -0.72 1.49 1.55 0.52 0.00 0.00 175.17 178.39 1auu h PRO 40 N 7.65 0.62 0.00 4.34 0.13 -1.95 -1.77 132.00 141.03 1auu h PRO 40 Ca -0.39 -0.39 -0.03 0.00 -0.87 0.00 0.00 66.00 64.32 1auu h PRO 40 Cb 1.19 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1auu h PRO 40 CO 0.90 1.00 -0.13 1.03 -0.23 0.00 0.00 178.00 180.57 1auu h SER 41 N 0.48 0.00 1.34 1.44 0.87 -2.04 -1.38 113.55 114.26 1auu h SER 41 Ca 0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1auu h SER 41 Cb 1.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 1auu h SER 41 CO 0.11 0.13 -0.68 0.11 -0.53 0.00 0.00 176.83 175.96 1auu h LYS 42 N 0.00 0.00 -5.92 2.24 1.79 -1.89 -3.45 116.57 109.34 1auu h LYS 42 Ca -0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1auu h LYS 42 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1auu h LYS 42 CO 0.02 0.13 1.49 -0.89 -1.08 0.00 0.00 179.45 179.11 1auu n ILE 43 N -2.93 0.23 -0.07 1.86 5.41 -0.52 -4.27 119.36 119.06 1auu n ILE 43 Ca 0.00 -0.41 -0.08 0.00 1.00 0.00 0.00 62.75 63.26 1auu n ILE 43 Cb 0.62 -2.18 -0.11 0.00 -0.71 0.00 0.00 39.64 37.26 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 8.57 1.54 -3.69 0.38 1.02 -1.22 -4.98 120.64 122.27 1auu n GLU 44 Ca 0.36 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1auu n GLU 44 Cb 0.36 -1.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.34 0.23 -0.29 3.49 1.02 -0.68 -4.98 119.74 116.20 1auu s LYS 45 Ca -0.09 0.75 -0.07 0.00 0.02 0.00 0.00 55.97 56.57 1auu s LYS 45 Cb 0.04 0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1auu s LYS 45 CO 0.56 -0.22 0.09 0.99 -0.92 0.00 0.00 175.35 175.84 1auu s THR 46 N 1.97 4.13 0.10 2.17 2.01 -1.26 -0.78 115.64 123.97 1auu s THR 46 Ca -0.04 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1auu s THR 46 Cb -0.11 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1auu s THR 46 CO -0.10 0.14 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.58 1auu s PHE 47 N 1.54 2.89 -0.01 4.92 0.40 0.08 -4.91 117.98 122.90 1auu s PHE 47 Ca 0.04 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1auu s PHE 47 Cb -0.17 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 1auu s PHE 47 CO 0.03 0.46 -0.09 0.42 0.70 0.00 0.00 175.22 176.74 1auu s ILE 48 N -1.30 0.74 -0.06 0.64 1.01 -1.26 0.89 121.20 121.85 1auu s ILE 48 Ca 0.24 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1auu s ILE 48 Cb -0.11 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1auu s ILE 48 CO 0.17 0.21 1.34 -0.60 0.00 0.00 0.00 174.94 176.06 1auu s ARG 49 N -0.15 4.28 -0.55 2.79 3.52 -1.12 -4.93 118.95 122.79 1auu s ARG 49 Ca 0.02 1.84 -0.27 0.00 -0.13 0.00 0.00 55.73 57.20 1auu s ARG 49 Cb -0.04 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1auu s ARG 49 CO -0.00 -0.61 1.91 0.21 -0.81 0.00 0.00 175.30 176.01 1auu s LYS 50 N 2.82 2.68 -0.19 5.12 2.47 -1.26 -4.80 119.74 126.58 1auu s LYS 50 Ca 0.61 0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 55.65 1auu s LYS 50 Cb -0.27 -4.38 -0.21 0.00 -1.46 0.00 0.00 37.83 31.51 1auu s LYS 50 CO 0.23 -2.66 0.30 0.22 0.16 0.00 0.00 175.35 173.60 1auu h ASP 51 N 15.18 0.07 -2.92 1.43 3.58 -2.00 -3.45 116.42 128.31 1auu h ASP 51 Ca -0.27 -0.62 -0.56 0.00 0.42 0.00 0.00 57.03 56.00 1auu h ASP 51 Cb 1.18 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.17 1auu h ASP 51 CO 1.18 1.50 0.88 0.42 -2.88 0.00 0.00 179.24 180.35 1auu s THR 52 N -2.38 4.23 -0.06 2.25 -4.23 -1.26 -4.94 115.64 109.25 1auu s THR 52 Ca -0.27 1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1auu s THR 52 Cb 0.05 -3.97 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 1auu s THR 52 CO 0.63 -0.11 0.13 1.55 -0.54 0.00 0.00 174.62 176.28 1auu h PRO 53 N 8.15 -0.08 0.00 3.99 0.13 -2.03 -3.46 132.00 138.70 1auu h PRO 53 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1auu h PRO 53 Cb 1.12 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1auu h PRO 53 CO 0.95 -0.05 -0.56 -0.25 -0.23 0.00 0.00 178.00 177.86 1auu n ASP 54 N -3.89 0.32 0.00 1.44 9.92 -1.26 -5.24 116.55 117.84 1auu n ASP 54 Ca -0.01 0.07 0.04 0.00 -0.53 0.00 0.00 54.79 54.36 1auu n ASP 54 Cb 0.03 -0.08 0.26 0.00 -0.64 0.00 0.00 41.12 40.69 1auu n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33