#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 0.67 -0.56 0.03 0.00 -1.23 -4.02 119.74 114.63 1auu s LYS 2 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 55.97 55.54 1auu s LYS 2 Cb 0.00 0.30 0.03 0.00 0.00 0.00 0.00 37.83 38.16 1auu s LYS 2 CO 0.00 -0.18 1.15 0.42 0.00 0.00 0.00 175.35 176.74 1auu s ILE 3 N -1.26 4.10 -0.06 3.79 1.01 -1.26 -2.45 121.20 125.06 1auu s ILE 3 Ca -0.13 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.42 1auu s ILE 3 Cb -0.05 -4.68 -0.26 0.00 0.01 0.00 0.00 42.46 37.48 1auu s ILE 3 CO 0.04 -1.25 0.62 0.50 0.00 0.00 0.00 174.94 174.85 1auu h LYS 4 N 9.46 0.17 -4.53 2.79 3.11 -1.17 -0.63 116.57 125.76 1auu h LYS 4 Ca -0.25 -0.29 -0.23 0.00 -2.81 0.00 0.00 60.65 57.07 1auu h LYS 4 Cb 1.06 0.11 -0.15 0.00 -1.00 0.00 0.00 32.23 32.25 1auu h LYS 4 CO 1.16 0.95 -0.59 1.03 -2.81 0.00 0.00 179.45 179.19 1auu s ARG 5 N -2.59 1.22 -0.10 1.90 0.52 0.05 -4.96 118.95 115.00 1auu s ARG 5 Ca -0.12 -1.60 0.01 0.00 -0.52 0.00 0.00 55.73 53.49 1auu s ARG 5 Cb 0.07 0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.84 1auu s ARG 5 CO 0.81 -0.41 -0.10 0.42 0.02 0.00 0.00 175.30 176.04 1auu s ILE 6 N -4.15 1.14 -0.18 1.52 1.09 -1.26 -1.24 121.20 118.12 1auu s ILE 6 Ca 0.38 -0.41 -0.17 0.00 -1.10 0.00 0.00 60.65 59.34 1auu s ILE 6 Cb 0.06 -1.09 -0.21 0.00 -1.06 0.00 0.00 42.46 40.16 1auu s ILE 6 CO 0.12 0.37 0.27 -0.07 -0.10 0.00 0.00 174.94 175.53 1auu h LEU 7 N 7.62 0.13 0.00 2.97 3.38 -1.24 -3.47 115.31 124.71 1auu h LEU 7 Ca -0.31 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1auu h LEU 7 Cb 1.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1auu h LEU 7 CO 0.45 1.60 0.00 -0.46 0.09 0.00 0.00 178.44 180.12 1auu n ASN 8 N -4.15 0.00 0.20 -0.43 0.23 0.37 -4.91 115.26 106.58 1auu n ASN 8 Ca -0.32 -0.71 0.17 0.00 -0.53 0.00 0.00 54.58 53.19 1auu n ASN 8 Cb 0.79 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.31 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 0.71 0.00 0.00 -2.53 -0.00 -1.97 -3.19 115.15 108.17 1auu h HIS 9 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 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 0.00 -1.16 0.09 -0.00 0.00 0.00 177.93 176.86 1auu n ASN 10 N -3.90 4.41 -4.87 3.26 3.02 -1.26 -1.44 115.26 114.48 1auu n ASN 10 Ca 0.02 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 1auu n ASN 10 Cb 0.31 0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.07 3.81 0.00 5.41 0.00 -1.21 0.13 121.76 127.84 1auu s ALA 11 Ca -0.01 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 1auu s ALA 11 Cb 0.01 -2.12 0.04 0.00 0.00 0.00 0.00 23.12 21.04 1auu s ALA 11 CO 0.10 0.57 0.41 0.96 0.00 0.00 0.00 175.76 177.81 1auu s ILE 12 N -1.07 0.05 -0.28 0.00 -4.36 -0.91 -0.48 121.20 114.16 1auu s ILE 12 Ca 0.19 -0.40 -0.10 0.00 -0.26 0.00 0.00 60.65 60.08 1auu s ILE 12 Cb -0.14 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 1auu s ILE 12 CO 0.08 -0.22 0.17 -0.69 0.24 0.00 0.00 174.94 174.52 1auu s VAL 13 N -1.80 5.11 0.01 8.37 1.01 -0.37 -0.23 120.40 132.50 1auu s VAL 13 Ca -0.10 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1auu s VAL 13 Cb -0.02 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1auu s VAL 13 CO 0.02 0.26 -0.22 0.54 0.00 0.00 0.00 175.10 175.71 1auu s VAL 14 N 1.73 1.75 0.31 2.92 0.11 0.50 -0.56 120.40 127.16 1auu s VAL 14 Ca 0.07 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 57.91 1auu s VAL 14 Cb -0.16 -1.48 -0.08 0.00 -1.53 0.00 0.00 36.38 33.13 1auu s VAL 14 CO 0.10 0.36 0.68 -1.59 -3.33 0.00 0.00 175.10 171.32 1auu s LYS 15 N -0.86 3.88 0.19 1.54 -2.85 -1.03 0.42 119.74 121.04 1auu s LYS 15 Ca 0.08 0.48 0.04 0.00 -1.00 0.00 0.00 55.97 55.57 1auu s LYS 15 Cb -0.09 -2.50 -0.01 0.00 -2.06 0.00 0.00 37.83 33.17 1auu s LYS 15 CO 0.01 0.17 0.17 -0.25 0.10 0.00 0.00 175.35 175.54 1auu n ASP 16 N -0.51 -0.43 -0.16 0.03 9.92 -0.90 -3.55 116.55 120.94 1auu n ASP 16 Ca 0.02 -2.21 -0.03 0.00 -0.53 0.00 0.00 54.79 52.05 1auu n ASP 16 Cb 0.53 0.97 0.06 0.00 -0.64 0.00 0.00 41.12 42.05 1auu n ASP 16 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1auu h GLN 17 N 0.00 0.34 0.42 -1.24 4.20 -1.99 -2.65 115.11 114.19 1auu h GLN 17 Ca -0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1auu h GLN 17 Cb 0.67 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1auu h GLN 17 CO 0.19 0.22 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.46 1auu h ASN 18 N 0.35 -0.48 0.00 1.46 2.35 -2.02 -3.48 115.58 113.76 1auu h ASN 18 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1auu h ASN 18 Cb 0.26 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1auu h ASN 18 CO -0.25 -0.30 0.00 1.21 -1.65 0.00 0.00 177.43 176.44 1auu n GLU 19 N -5.31 0.00 -3.77 0.81 0.00 -1.00 -5.15 120.64 106.22 1auu n GLU 19 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.92 1auu n GLU 19 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.60 1auu n GLU 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1auu s GLU 20 N 0.00 0.58 -0.14 5.31 2.12 -1.26 -2.13 118.70 123.18 1auu s GLU 20 Ca 0.00 -0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.16 1auu s GLU 20 Cb 0.00 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.69 1auu s GLU 20 CO 0.00 -0.14 0.36 -1.59 -0.54 0.00 0.00 175.26 173.35 1auu s LYS 21 N -0.95 0.42 -0.14 4.30 -2.85 0.17 -3.44 119.74 117.24 1auu s LYS 21 Ca -0.10 0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 55.21 1auu s LYS 21 Cb -0.05 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1auu s LYS 21 CO 0.03 -0.06 0.45 0.42 0.10 0.00 0.00 175.35 176.29 1auu s ILE 22 N 0.26 5.20 -0.34 3.79 1.09 0.19 -0.37 121.20 131.02 1auu s ILE 22 Ca -0.01 0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 60.30 1auu s ILE 22 Cb -0.03 -3.79 -0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1auu s ILE 22 CO -0.00 0.31 0.21 -0.22 -0.10 0.00 0.00 174.94 175.14 1auu s LEU 23 N 0.78 4.48 -0.49 2.97 1.98 0.68 -1.21 118.68 127.87 1auu s LEU 23 Ca 0.24 -0.63 -0.16 0.00 -2.89 0.00 0.00 54.13 50.69 1auu s LEU 23 Cb -0.15 -2.07 0.08 0.00 0.66 0.00 0.00 46.19 44.72 1auu s LEU 23 CO 0.09 -0.28 0.45 -0.76 -1.89 0.00 0.00 176.35 173.97 1auu s LEU 24 N 1.64 5.65 -0.05 -0.68 1.43 0.58 -2.14 118.68 125.11 1auu s LEU 24 Ca 0.05 -1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 51.77 1auu s LEU 24 Cb -0.18 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.85 1auu s LEU 24 CO 0.08 -0.73 0.01 -0.83 0.23 0.00 0.00 176.35 175.11 1auu s GLY 25 N 2.83 0.34 -0.58 -3.19 0.00 0.12 -0.71 107.32 106.13 1auu s GLY 25 Ca 0.05 0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 1auu s GLY 25 CO 0.07 0.98 2.45 0.00 0.00 0.00 0.00 173.10 176.60 1auu n ALA 26 N 4.80 0.76 -0.37 3.20 0.00 -1.26 0.37 120.51 128.01 1auu n ALA 26 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1auu n ALA 26 Cb 0.50 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 6.18 0.81 0.34 0.00 0.00 -1.16 -4.96 105.19 106.41 1auu n GLY 27 Ca 0.44 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 -0.75 -0.61 2.10 0.10 -1.68 117.51 117.90 1auu h ILE 28 Ca 0.00 -0.62 -0.03 0.00 1.08 0.00 0.00 64.86 65.29 1auu h ILE 28 Cb 0.00 0.20 -0.04 0.00 -1.09 0.00 0.00 36.82 35.90 1auu h ILE 28 CO 0.00 0.27 0.36 0.00 -1.08 0.00 0.00 178.15 177.70 1auu h ALA 29 N 1.34 1.21 -2.72 0.18 0.00 -1.47 -3.38 119.26 114.42 1auu h ALA 29 Ca 0.27 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 54.53 1auu h ALA 29 Cb 0.06 -0.30 0.06 0.00 0.00 0.00 0.00 17.79 17.61 1auu h ALA 29 CO -0.04 0.60 0.50 0.12 0.00 0.00 0.00 179.25 180.43 1auu s PHE 30 N -5.61 3.01 -1.25 0.00 5.36 -0.63 -2.66 117.98 116.20 1auu s PHE 30 Ca -0.11 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1auu s PHE 30 Cb 0.16 -3.40 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1auu s PHE 30 CO 0.81 -1.40 0.00 -1.71 -1.46 0.00 0.00 175.22 171.46 1auu n ASN 31 N -0.07 -4.32 -3.71 6.13 2.85 -1.26 -4.98 115.26 109.90 1auu n ASN 31 Ca 0.05 0.14 -0.11 0.00 -0.11 0.00 0.00 54.58 54.55 1auu n ASN 31 Cb 0.47 -3.27 -0.05 0.00 1.24 0.00 0.00 39.78 38.17 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 -3.96 1.67 0.16 1.20 -0.14 -1.09 -4.99 119.74 112.60 1auu s LYS 32 Ca 0.00 -1.48 -0.11 0.00 -1.36 0.00 0.00 55.97 53.02 1auu s LYS 32 Cb 0.00 0.45 0.04 0.00 -1.68 0.00 0.00 37.83 36.64 1auu s LYS 32 CO 0.00 -0.69 0.56 0.36 -0.76 0.00 0.00 175.35 174.82 1auu n LYS 33 N -0.44 0.49 -1.87 1.68 2.85 -1.26 -5.00 118.16 114.62 1auu n LYS 33 Ca -0.01 -1.04 -0.42 0.00 -1.05 0.00 0.00 58.31 55.79 1auu n LYS 33 Cb 0.62 1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 36.33 1auu n LYS 33 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1auu s LYS 34 N -2.04 4.19 -1.18 -1.58 2.36 -1.26 -1.76 119.74 118.46 1auu s LYS 34 Ca 0.12 2.44 0.00 0.00 -2.55 0.00 0.00 55.97 55.98 1auu s LYS 34 Cb -0.02 -3.12 0.00 0.00 -1.05 0.00 0.00 37.83 33.63 1auu s LYS 34 CO 0.05 -0.65 0.00 -1.71 1.55 0.00 0.00 175.35 174.59 1auu n ASN 35 N 3.88 -4.93 -0.54 1.43 2.85 -0.24 -4.85 115.26 112.86 1auu n ASN 35 Ca 0.14 0.28 0.13 0.00 -0.11 0.00 0.00 54.58 55.02 1auu n ASN 35 Cb 0.37 -3.41 0.47 0.00 1.24 0.00 0.00 39.78 38.45 1auu n ASN 35 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1auu n ASP 36 N -0.53 1.67 -0.91 1.20 2.03 -0.72 -4.74 116.55 114.55 1auu n ASP 36 Ca -0.11 -1.57 0.00 0.00 0.52 0.00 0.00 54.79 53.62 1auu n ASP 36 Cb 0.46 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1auu n ASP 36 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1auu n ILE 37 N 0.31 -3.46 -2.41 5.18 5.41 -1.26 -4.85 119.36 118.28 1auu n ILE 37 Ca 0.18 1.37 -0.41 0.00 1.00 0.00 0.00 62.75 64.88 1auu n ILE 37 Cb 0.37 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.36 1auu n ILE 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1auu s VAL 38 N -2.70 3.79 0.10 1.39 0.11 -1.26 -4.73 120.40 117.10 1auu s VAL 38 Ca 0.00 1.41 -0.31 0.00 -2.93 0.00 0.00 61.98 60.15 1auu s VAL 38 Cb 0.00 -3.90 -0.08 0.00 -1.53 0.00 0.00 36.38 30.87 1auu s VAL 38 CO 0.00 0.18 1.42 -0.62 -3.33 0.00 0.00 175.10 172.75 1auu s ASP 39 N 0.48 6.79 0.16 3.54 2.15 -1.26 -4.91 116.67 123.62 1auu s ASP 39 Ca 0.55 2.33 -0.08 0.00 0.43 0.00 0.00 52.55 55.79 1auu s ASP 39 Cb -0.31 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.73 1auu s ASP 39 CO 0.33 -0.69 1.45 1.55 -0.17 0.00 0.00 175.17 177.65 1auu h PRO 40 N 7.01 0.74 0.00 4.34 0.13 -1.95 -1.04 132.00 141.23 1auu h PRO 40 Ca -0.42 -0.46 -0.03 0.00 -0.87 0.00 0.00 66.00 64.22 1auu h PRO 40 Cb 1.20 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1auu h PRO 40 CO 0.88 1.09 -0.13 1.03 -0.23 0.00 0.00 178.00 180.63 1auu h SER 41 N 0.57 0.00 1.09 1.44 0.87 -2.04 -1.58 113.55 113.90 1auu h SER 41 Ca 0.01 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 1auu h SER 41 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1auu h SER 41 CO 0.11 0.13 -0.95 0.11 -0.53 0.00 0.00 176.83 175.70 1auu h LYS 42 N 0.00 0.00 -5.97 2.24 1.79 -1.89 -3.45 116.57 109.29 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 0.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1auu h LYS 42 CO 0.02 0.21 1.45 -0.89 -1.08 0.00 0.00 179.45 179.15 1auu n ILE 43 N -2.91 0.23 -0.03 1.86 5.41 -0.42 -4.11 119.36 119.39 1auu n ILE 43 Ca -0.03 -0.33 -0.02 0.00 1.00 0.00 0.00 62.75 63.37 1auu n ILE 43 Cb 0.70 -1.94 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 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 8.40 2.50 -3.51 0.38 1.02 -1.00 -4.98 120.64 123.45 1auu n GLU 44 Ca 0.38 -0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.40 1auu n GLU 44 Cb 0.30 -1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.20 0.28 -0.30 3.49 1.02 0.11 -4.97 119.74 117.16 1auu s LYS 45 Ca -0.03 0.67 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 1auu s LYS 45 Cb 0.02 -0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.04 1auu s LYS 45 CO 0.26 -0.47 0.18 0.99 -0.92 0.00 0.00 175.35 175.39 1auu s THR 46 N 2.51 4.97 -0.03 2.17 2.01 -1.26 -0.31 115.64 125.70 1auu s THR 46 Ca 0.06 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1auu s THR 46 Cb -0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 1auu s THR 46 CO -0.13 0.14 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.36 1auu s PHE 47 N 1.69 2.47 0.04 4.92 0.40 -0.35 -4.97 117.98 122.18 1auu s PHE 47 Ca 0.06 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 1auu s PHE 47 Cb -0.17 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1auu s PHE 47 CO 0.09 0.03 -0.17 0.42 0.70 0.00 0.00 175.22 176.28 1auu s ILE 48 N -0.62 1.38 0.28 0.64 1.01 -1.26 0.54 121.20 123.17 1auu s ILE 48 Ca 0.10 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1auu s ILE 48 Cb -0.10 -1.22 -0.11 0.00 0.01 0.00 0.00 42.46 41.04 1auu s ILE 48 CO -0.00 0.11 1.58 0.00 0.00 0.00 0.00 174.94 176.62 1auu s ARG 49 N -1.14 4.14 -0.14 2.79 1.70 -1.22 -4.91 118.95 120.18 1auu s ARG 49 Ca 0.05 2.54 -0.29 0.00 -0.47 0.00 0.00 55.73 57.55 1auu s ARG 49 Cb -0.08 -3.04 -0.03 0.00 -0.57 0.00 0.00 34.95 31.23 1auu s ARG 49 CO 0.01 -0.61 1.51 0.21 -1.08 0.00 0.00 175.30 175.35 1auu s LYS 50 N -0.45 4.10 -0.00 3.89 2.20 -1.26 -4.92 119.74 123.30 1auu s LYS 50 Ca 0.63 1.87 -0.23 0.00 -0.36 0.00 0.00 55.97 57.88 1auu s LYS 50 Cb -0.47 -3.93 -0.13 0.00 -1.51 0.00 0.00 37.83 31.79 1auu s LYS 50 CO 0.47 -0.92 0.98 0.22 -0.36 0.00 0.00 175.35 175.74 1auu h ASP 51 N 9.40 -0.65 -6.37 1.43 3.58 -2.00 -3.48 116.42 118.32 1auu h ASP 51 Ca -0.34 -0.01 -0.34 0.00 0.42 0.00 0.00 57.03 56.77 1auu h ASP 51 Cb 1.15 0.17 0.02 0.00 1.72 0.00 0.00 39.33 42.38 1auu h ASP 51 CO 0.97 -0.25 -1.09 0.35 -2.88 0.00 0.00 179.24 176.34 1auu n THR 52 N -5.29 -5.02 0.00 2.25 -2.24 -1.26 -4.96 114.28 97.75 1auu n THR 52 Ca -0.10 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1auu n THR 52 Cb 0.32 -4.11 0.00 0.00 -2.10 0.00 0.00 70.33 64.44 1auu n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1auu n PRO 53 N -0.37 0.00 0.07 -0.78 -0.04 -1.26 -4.51 135.00 128.11 1auu n PRO 53 Ca -0.07 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1auu n PRO 53 Cb 0.65 -0.96 -0.13 0.00 -0.04 0.00 0.00 33.50 33.01 1auu n PRO 53 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1auu h ASP 54 N 0.00 0.25 0.00 3.54 5.19 -2.05 -3.57 116.42 119.77 1auu h ASP 54 Ca 0.00 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1auu h ASP 54 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1auu h ASP 54 CO 0.00 1.25 0.00 -1.22 -3.12 0.00 0.00 179.24 176.15