#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 2.17 -0.28 0.03 -2.85 -1.26 -1.36 119.74 116.20 1auu s LYS 2 Ca 0.00 -0.60 -0.10 0.00 -1.00 0.00 0.00 55.97 54.27 1auu s LYS 2 Cb 0.00 -2.30 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 1auu s LYS 2 CO 0.00 -1.13 0.14 0.42 0.10 0.00 0.00 175.35 174.89 1auu s ILE 3 N -3.07 4.82 -0.03 3.79 1.09 -0.91 -3.06 121.20 123.83 1auu s ILE 3 Ca 0.61 -0.08 -0.03 0.00 -1.10 0.00 0.00 60.65 60.05 1auu s ILE 3 Cb -0.09 -3.32 -0.27 0.00 -1.06 0.00 0.00 42.46 37.71 1auu s ILE 3 CO 0.43 0.23 0.72 0.50 -0.10 0.00 0.00 174.94 176.72 1auu h LYS 4 N 8.33 0.24 -4.05 2.79 3.64 -0.60 -0.61 116.57 126.30 1auu h LYS 4 Ca -0.36 -0.40 -0.13 0.00 -1.27 0.00 0.00 60.65 58.49 1auu h LYS 4 Cb 1.17 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 33.02 1auu h LYS 4 CO 0.58 1.08 -0.37 1.03 -2.27 0.00 0.00 179.45 179.49 1auu s ARG 5 N -2.60 1.25 -0.11 1.90 0.52 -0.07 -4.92 118.95 114.93 1auu s ARG 5 Ca -0.12 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 53.78 1auu s ARG 5 Cb 0.07 0.36 0.01 0.00 0.52 0.00 0.00 34.95 35.91 1auu s ARG 5 CO 0.83 -0.46 -0.19 0.42 0.02 0.00 0.00 175.30 175.93 1auu s ILE 6 N -4.04 1.73 -0.21 1.52 1.09 -1.26 -0.57 121.20 119.46 1auu s ILE 6 Ca 0.25 -0.80 -0.15 0.00 -1.10 0.00 0.00 60.65 58.84 1auu s ILE 6 Cb 0.04 -1.54 -0.19 0.00 -1.06 0.00 0.00 42.46 39.71 1auu s ILE 6 CO 0.06 0.49 0.07 0.18 -0.10 0.00 0.00 174.94 175.64 1auu n LEU 7 N 3.91 2.12 0.00 2.97 4.77 -0.30 -4.87 117.00 125.59 1auu n LEU 7 Ca -0.20 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1auu n LEU 7 Cb 0.52 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1auu n LEU 7 CO 0.26 0.51 0.00 -0.46 -1.33 0.00 0.00 177.39 176.37 1auu n ASN 8 N -4.12 0.00 0.30 -1.43 0.23 0.61 -4.91 115.26 105.94 1auu n ASN 8 Ca -0.39 -0.57 0.16 0.00 -0.53 0.00 0.00 54.58 53.25 1auu n ASN 8 Cb 0.82 0.00 0.94 0.00 -2.08 0.00 0.00 39.78 39.46 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 0.57 0.00 0.00 -2.53 -0.00 -1.98 -3.23 115.15 107.99 1auu h HIS 9 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 1auu h HIS 9 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1auu h HIS 9 CO 0.00 0.02 -1.21 0.09 -0.00 0.00 0.00 177.93 176.83 1auu n ASN 10 N -3.70 4.22 -4.84 3.26 3.02 -1.26 -0.98 115.26 114.97 1auu n ASN 10 Ca -0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.16 1auu n ASN 10 Cb 0.10 0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 39.87 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 -2.10 3.79 -0.04 5.41 0.00 -1.22 -0.01 121.76 127.59 1auu s ALA 11 Ca -0.02 -0.66 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 1auu s ALA 11 Cb 0.01 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.24 1auu s ALA 11 CO 0.13 0.57 0.38 0.42 0.00 0.00 0.00 175.76 177.27 1auu s ILE 12 N -0.88 0.04 -0.34 0.00 1.09 -1.01 -0.28 121.20 119.82 1auu s ILE 12 Ca 0.14 -0.34 -0.15 0.00 -1.10 0.00 0.00 60.65 59.20 1auu s ILE 12 Cb -0.12 -0.67 -0.02 0.00 -1.06 0.00 0.00 42.46 40.59 1auu s ILE 12 CO 0.03 -0.19 0.35 -0.69 -0.10 0.00 0.00 174.94 174.35 1auu s VAL 13 N -1.11 5.18 0.45 2.92 1.01 0.26 0.01 120.40 129.12 1auu s VAL 13 Ca -0.11 0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1auu s VAL 13 Cb -0.04 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1auu s VAL 13 CO 0.05 -0.06 0.11 0.68 0.00 0.00 0.00 175.10 175.88 1auu s VAL 14 N 1.99 1.87 0.24 2.92 -7.23 0.69 0.15 120.40 121.03 1auu s VAL 14 Ca 0.11 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1auu s VAL 14 Cb -0.17 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1auu s VAL 14 CO 0.11 0.00 -0.15 -1.59 -0.31 0.00 0.00 175.10 173.16 1auu s LYS 15 N -3.88 1.49 0.18 4.82 -2.85 -1.17 -0.04 119.74 118.29 1auu s LYS 15 Ca 0.30 -1.69 -0.03 0.00 -1.00 0.00 0.00 55.97 53.56 1auu s LYS 15 Cb 0.04 -1.37 0.01 0.00 -2.06 0.00 0.00 37.83 34.45 1auu s LYS 15 CO 0.16 0.22 0.29 -0.25 0.10 0.00 0.00 175.35 175.87 1auu n ASP 16 N -0.50 -0.82 -0.17 0.03 8.00 0.01 -4.31 116.55 118.79 1auu n ASP 16 Ca -0.07 -1.91 -0.05 0.00 0.71 0.00 0.00 54.79 53.47 1auu n ASP 16 Cb 0.61 1.46 0.05 0.00 -0.02 0.00 0.00 41.12 43.22 1auu n ASP 16 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1auu h GLN 17 N 0.00 0.55 0.43 -1.24 7.50 -2.02 -2.98 115.11 117.34 1auu h GLN 17 Ca -0.15 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 58.95 1auu h GLN 17 Cb 0.61 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1auu h GLN 17 CO 0.19 0.36 -0.21 -0.91 -1.50 0.00 0.00 178.83 176.77 1auu h ASN 18 N 0.56 -0.49 0.00 1.46 2.35 -2.04 -3.49 115.58 113.93 1auu h ASN 18 Ca 0.22 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1auu h ASN 18 Cb 0.09 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1auu h ASN 18 CO -0.13 -0.18 0.00 1.21 -1.65 0.00 0.00 177.43 176.68 1auu n GLU 19 N -5.25 0.00 -2.61 0.81 2.13 -1.13 -5.14 120.64 109.46 1auu n GLU 19 Ca -0.11 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.35 1auu n GLU 19 Cb 0.29 0.00 -0.05 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 -0.68 4.29 -0.16 5.31 2.12 -1.26 -0.81 118.70 127.51 1auu s GLU 20 Ca 0.00 1.47 -0.13 0.00 0.36 0.00 0.00 54.97 56.67 1auu s GLU 20 Cb 0.00 -2.63 0.05 0.00 0.26 0.00 0.00 34.13 31.81 1auu s GLU 20 CO 0.00 -0.02 0.42 -1.59 -0.54 0.00 0.00 175.26 173.53 1auu s LYS 21 N -2.36 0.47 -0.24 4.30 -2.85 0.95 -4.27 119.74 115.75 1auu s LYS 21 Ca 0.55 0.64 -0.21 0.00 -1.00 0.00 0.00 55.97 55.95 1auu s LYS 21 Cb -0.21 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.71 1auu s LYS 21 CO 0.27 -0.08 0.65 0.42 0.10 0.00 0.00 175.35 176.71 1auu s ILE 22 N 0.52 4.98 -0.43 3.79 1.09 0.21 -0.22 121.20 131.13 1auu s ILE 22 Ca -0.02 1.20 -0.18 0.00 -1.10 0.00 0.00 60.65 60.55 1auu s ILE 22 Cb -0.04 -3.96 0.03 0.00 -1.06 0.00 0.00 42.46 37.42 1auu s ILE 22 CO -0.03 0.04 0.47 -0.22 -0.10 0.00 0.00 174.94 175.10 1auu s LEU 23 N 2.37 4.86 -0.18 2.97 2.96 0.10 -0.69 118.68 131.07 1auu s LEU 23 Ca 0.28 -0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 1auu s LEU 23 Cb -0.16 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1auu s LEU 23 CO 0.09 -0.63 0.37 -0.76 -1.32 0.00 0.00 176.35 174.10 1auu s LEU 24 N 2.23 4.19 -0.30 -0.68 1.43 -0.01 -2.40 118.68 123.13 1auu s LEU 24 Ca 0.13 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1auu s LEU 24 Cb -0.17 -2.48 0.14 0.00 0.03 0.00 0.00 46.19 43.70 1auu s LEU 24 CO 0.14 -0.01 0.72 -0.83 0.23 0.00 0.00 176.35 176.60 1auu s GLY 25 N 0.83 -0.61 -0.56 -3.19 0.00 0.98 -0.67 107.32 104.10 1auu s GLY 25 Ca 0.19 2.50 -0.28 0.00 0.00 0.00 0.00 44.72 47.12 1auu s GLY 25 CO 0.07 3.08 2.43 0.00 0.00 0.00 0.00 173.10 178.68 1auu n ALA 26 N 5.31 0.81 -0.19 3.20 0.00 -1.26 0.37 120.51 128.75 1auu n ALA 26 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1auu n ALA 26 Cb 0.50 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 0.90 0.36 0.00 0.00 -1.19 -4.95 105.19 106.48 1auu n GLY 27 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 1.26 -0.62 -0.61 2.10 0.17 -1.47 117.51 118.33 1auu h ILE 28 Ca 0.00 -0.69 0.02 0.00 1.08 0.00 0.00 64.86 65.27 1auu h ILE 28 Cb 0.00 0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 35.81 1auu h ILE 28 CO 0.00 0.30 0.41 0.00 -1.08 0.00 0.00 178.15 177.79 1auu h ALA 29 N 1.26 1.63 -2.54 0.18 0.00 -1.29 -3.41 119.26 115.09 1auu h ALA 29 Ca 0.30 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.69 1auu h ALA 29 Cb 0.08 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 17.69 1auu h ALA 29 CO -0.04 0.31 0.43 0.12 0.00 0.00 0.00 179.25 180.07 1auu s PHE 30 N -5.67 3.03 -0.39 0.00 5.36 -0.55 -3.26 117.98 116.50 1auu s PHE 30 Ca -0.10 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 1auu s PHE 30 Cb 0.18 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 1auu s PHE 30 CO 0.76 -1.05 0.00 -1.71 -1.46 0.00 0.00 175.22 171.77 1auu n ASN 31 N -0.50 -3.43 0.00 6.13 2.85 -1.26 -4.91 115.26 114.14 1auu n ASN 31 Ca 0.07 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1auu n ASN 31 Cb 0.50 -1.26 0.00 0.00 1.24 0.00 0.00 39.78 40.26 1auu n ASN 31 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1auu n LYS 32 N -2.89 -2.84 -1.62 1.20 2.85 -1.20 -4.79 118.16 108.87 1auu n LYS 32 Ca -0.04 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.20 1auu n LYS 32 Cb 0.12 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.51 1auu n LYS 32 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1auu n LYS 33 N -0.02 0.24 -2.01 -1.58 0.00 -1.26 -4.90 118.16 108.63 1auu n LYS 33 Ca 0.00 -0.47 -0.41 0.00 -0.00 0.00 0.00 58.31 57.43 1auu n LYS 33 Cb 0.00 0.59 -0.02 0.00 -0.00 0.00 0.00 35.03 35.60 1auu n LYS 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1auu s LYS 34 N -2.02 4.27 0.00 -1.58 2.20 -1.26 -2.06 119.74 119.28 1auu s LYS 34 Ca 0.04 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1auu s LYS 34 Cb -0.01 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1auu s LYS 34 CO 0.02 -0.38 0.00 -1.71 -0.36 0.00 0.00 175.35 172.92 1auu n ASN 35 N 1.74 0.00 -4.71 1.43 2.85 -0.24 -4.88 115.26 111.45 1auu n ASN 35 Ca 0.04 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.23 1auu n ASN 35 Cb 0.40 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.52 4.21 0.32 1.20 2.15 -0.88 -4.47 116.67 118.69 1auu s ASP 36 Ca 0.00 0.56 -0.23 0.00 0.43 0.00 0.00 52.55 53.31 1auu s ASP 36 Cb 0.00 -0.97 -0.10 0.00 -0.30 0.00 0.00 42.92 41.56 1auu s ASP 36 CO 0.00 -2.06 0.88 -0.63 -0.17 0.00 0.00 175.17 173.20 1auu s ILE 37 N -3.58 4.35 0.16 4.11 -1.09 -1.26 -2.14 121.20 121.75 1auu s ILE 37 Ca 0.65 1.59 -0.30 0.00 -2.23 0.00 0.00 60.65 60.36 1auu s ILE 37 Cb -0.09 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.83 1auu s ILE 37 CO 0.49 0.06 1.12 0.54 -1.23 0.00 0.00 174.94 175.92 1auu s VAL 38 N -1.71 3.87 -0.01 2.92 0.11 -0.46 -4.76 120.40 120.36 1auu s VAL 38 Ca 0.51 1.57 -0.30 0.00 -2.93 0.00 0.00 61.98 60.83 1auu s VAL 38 Cb -0.16 -4.00 -0.06 0.00 -1.53 0.00 0.00 36.38 30.62 1auu s VAL 38 CO 0.21 0.25 1.63 -0.62 -3.33 0.00 0.00 175.10 173.24 1auu s ASP 39 N 0.06 6.67 0.18 3.54 2.15 -1.26 -4.89 116.67 123.12 1auu s ASP 39 Ca 0.51 2.30 -0.03 0.00 0.43 0.00 0.00 52.55 55.76 1auu s ASP 39 Cb -0.30 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 39.87 1auu s ASP 39 CO 0.34 -0.89 1.48 1.55 -0.17 0.00 0.00 175.17 177.49 1auu h PRO 40 N 9.01 0.54 0.00 4.34 0.13 -1.95 -2.03 132.00 142.04 1auu h PRO 40 Ca -0.40 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 1auu h PRO 40 Cb 1.19 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1auu h PRO 40 CO 0.94 0.97 -0.03 1.03 -0.23 0.00 0.00 178.00 180.68 1auu h SER 41 N 0.41 0.00 0.85 1.44 0.87 -2.03 -1.55 113.55 113.54 1auu h SER 41 Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1auu h SER 41 Cb 1.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1auu h SER 41 CO 0.11 0.03 -1.24 0.11 -0.53 0.00 0.00 176.83 175.31 1auu h LYS 42 N 0.00 0.00 -5.91 2.24 1.79 -1.87 -3.45 116.57 109.36 1auu h LYS 42 Ca -0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1auu h LYS 42 Cb 0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1auu h LYS 42 CO 0.00 0.45 1.46 -0.89 -1.08 0.00 0.00 179.45 179.39 1auu n ILE 43 N -3.04 0.17 -0.08 1.86 5.41 -0.58 -4.11 119.36 118.98 1auu n ILE 43 Ca -0.08 -0.29 -0.08 0.00 1.00 0.00 0.00 62.75 63.30 1auu n ILE 43 Cb 0.87 -1.71 -0.13 0.00 -0.71 0.00 0.00 39.64 37.96 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 8.30 1.31 -3.60 0.38 1.02 0.16 -4.96 120.64 123.24 1auu n GLU 44 Ca 0.42 -0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.40 1auu n GLU 44 Cb 0.25 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1auu n GLU 44 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1auu s LYS 45 N -2.39 0.89 -0.27 3.49 2.47 -0.16 -4.99 119.74 118.77 1auu s LYS 45 Ca -0.09 0.74 -0.03 0.00 -1.56 0.00 0.00 55.97 55.03 1auu s LYS 45 Cb 0.05 0.43 0.03 0.00 -1.46 0.00 0.00 37.83 36.88 1auu s LYS 45 CO 0.65 -0.17 -0.02 0.99 0.16 0.00 0.00 175.35 176.96 1auu s THR 46 N -0.13 3.12 -0.14 3.43 2.01 -1.26 -0.83 115.64 121.84 1auu s THR 46 Ca -0.04 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.87 1auu s THR 46 Cb -0.03 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1auu s THR 46 CO 0.04 0.11 0.07 -0.36 -0.69 0.00 0.00 174.62 173.78 1auu s PHE 47 N 1.34 3.33 -0.02 4.92 0.40 0.13 -4.93 117.98 123.15 1auu s PHE 47 Ca -0.01 0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1auu s PHE 47 Cb -0.17 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.39 1auu s PHE 47 CO -0.02 0.41 -0.10 0.42 0.70 0.00 0.00 175.22 176.63 1auu s ILE 48 N -0.37 0.83 -0.18 0.64 1.01 -1.26 0.63 121.20 122.49 1auu s ILE 48 Ca 0.09 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 1auu s ILE 48 Cb -0.12 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1auu s ILE 48 CO 0.02 0.25 2.08 0.00 0.00 0.00 0.00 174.94 177.28 1auu s ARG 49 N -0.02 3.40 -0.51 2.79 3.03 -1.26 -4.92 118.95 121.46 1auu s ARG 49 Ca 0.00 2.05 -0.23 0.00 2.03 0.00 0.00 55.73 59.58 1auu s ARG 49 Cb -0.06 -4.29 0.04 0.00 -1.03 0.00 0.00 34.95 29.61 1auu s ARG 49 CO 0.00 -1.79 0.85 0.15 -1.13 0.00 0.00 175.30 173.38 1auu s LYS 50 N 5.77 3.33 -0.20 3.89 1.02 -1.26 -4.88 119.74 127.41 1auu s LYS 50 Ca 0.94 -0.29 -0.15 0.00 0.02 0.00 0.00 55.97 56.48 1auu s LYS 50 Cb -0.33 -4.02 -0.10 0.00 -0.52 0.00 0.00 37.83 32.86 1auu s LYS 50 CO 0.36 -1.33 -0.17 -3.47 -0.92 0.00 0.00 175.35 169.81 1auu n ASP 51 N 7.06 1.89 -3.41 2.83 2.03 -1.26 -5.04 116.55 120.64 1auu n ASP 51 Ca 0.01 0.44 -0.34 0.00 0.52 0.00 0.00 54.79 55.43 1auu n ASP 51 Cb 0.47 -0.85 0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1auu n ASP 51 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1auu n THR 52 N -4.45 -5.13 0.11 5.18 -2.24 -1.26 -4.91 114.28 101.57 1auu n THR 52 Ca -0.25 0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 1auu n THR 52 Cb 0.56 -4.17 -0.15 0.00 -2.10 0.00 0.00 70.33 64.47 1auu n THR 52 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1auu h PRO 53 N 2.00 0.38 0.00 -0.78 0.13 -2.04 -3.28 132.00 128.42 1auu h PRO 53 Ca -0.48 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.01 1auu h PRO 53 Cb 1.34 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1auu h PRO 53 CO 0.23 1.29 0.00 -0.25 -0.23 0.00 0.00 178.00 179.04 1auu n ASP 54 N -3.59 0.38 0.00 1.44 9.92 -1.26 -5.37 116.55 118.07 1auu n ASP 54 Ca -0.15 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1auu n ASP 54 Cb 1.07 -0.70 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1auu n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33