#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gfd s SER 2 N 0.00 -0.57 0.32 1.61 1.04 -1.26 -5.18 113.70 109.66 1gfd s SER 2 Ca 0.00 0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1gfd s SER 2 Cb 0.00 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1gfd s SER 2 CO 0.00 -0.64 0.10 0.42 0.98 0.00 0.00 173.24 174.10 1gfd s THR 3 N -1.84 0.72 0.00 2.02 -4.23 -1.26 -5.11 115.64 105.94 1gfd s THR 3 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1gfd s THR 3 Cb -0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1gfd s THR 3 CO 0.03 0.00 0.00 -1.22 -0.54 0.00 0.00 174.62 172.89 1gfd n TYR 4 N -0.65 0.00 -3.44 3.99 4.01 -1.26 -4.46 117.16 115.35 1gfd n TYR 4 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1gfd n TYR 4 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 1gfd n TYR 4 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1gfd n VAL 5 N -0.24 0.00 -3.43 -0.72 0.24 -0.98 -3.56 118.33 109.65 1gfd n VAL 5 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1gfd n VAL 5 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 1gfd n VAL 5 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gfd s GLN 6 N -0.33 0.37 -0.11 7.34 -0.21 0.48 -3.64 119.66 123.56 1gfd s GLN 6 Ca 0.00 -0.45 -0.10 0.00 0.02 0.00 0.00 55.36 54.83 1gfd s GLN 6 Cb 0.00 -0.82 -0.04 0.00 1.00 0.00 0.00 33.01 33.14 1gfd s GLN 6 CO 0.00 -1.07 0.41 0.00 -2.12 0.00 0.00 175.29 172.51 1gfd n ALA 7 N 5.01 -0.13 -0.22 6.09 0.00 0.47 -3.07 120.51 128.66 1gfd n ALA 7 Ca 0.01 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 1gfd n ALA 7 Cb 0.44 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1gfd n ALA 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gfd h LEU 8 N 1.52 0.95 0.00 0.00 5.85 -0.01 -0.94 115.31 122.68 1gfd h LEU 8 Ca -0.06 -0.25 -0.17 0.00 0.84 0.00 0.00 57.88 58.24 1gfd h LEU 8 Cb 0.31 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1gfd h LEU 8 CO 0.23 0.96 -0.11 0.49 -0.34 0.00 0.00 178.44 179.66 1gfd n PHE 9 N -4.31 -0.83 -2.43 1.25 3.72 -1.23 -4.80 117.46 108.83 1gfd n PHE 9 Ca 0.03 -1.25 -0.42 0.00 -0.05 0.00 0.00 57.45 55.76 1gfd n PHE 9 Cb 0.26 0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 1gfd n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1gfd s ASP 10 N -2.13 7.06 -0.36 4.37 1.01 -1.26 -2.86 116.67 122.50 1gfd s ASP 10 Ca 0.16 1.93 -0.02 0.00 0.71 0.00 0.00 52.55 55.33 1gfd s ASP 10 Cb -0.00 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.45 1gfd s ASP 10 CO 0.11 -0.53 0.11 0.12 0.21 0.00 0.00 175.17 175.19 1gfd s PHE 11 N 1.65 3.48 0.17 4.23 5.36 -0.94 -4.91 117.98 127.02 1gfd s PHE 11 Ca 0.58 -2.27 -0.21 0.00 -0.96 0.00 0.00 56.93 54.07 1gfd s PHE 11 Cb -0.27 -2.76 -0.08 0.00 -0.34 0.00 0.00 43.02 39.57 1gfd s PHE 11 CO 0.26 -0.90 0.70 -0.51 -1.46 0.00 0.00 175.22 173.31 1gfd s ASP 12 N 1.50 7.16 0.00 6.13 1.01 -1.26 -2.25 116.67 128.96 1gfd s ASP 12 Ca 0.03 1.45 0.00 0.00 0.71 0.00 0.00 52.55 54.74 1gfd s ASP 12 Cb -0.21 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1gfd s ASP 12 CO -0.03 0.14 0.00 -2.65 0.21 0.00 0.00 175.17 172.84 1gfd n PRO 13 N 1.22 2.38 0.00 8.23 -0.02 -1.25 -4.95 135.00 140.61 1gfd n PRO 13 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1gfd n PRO 13 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1gfd n PRO 13 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1gfd n GLN 14 N 0.00 0.00 -3.99 -0.52 1.13 -1.26 -5.10 117.38 107.64 1gfd n GLN 14 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 1gfd n GLN 14 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1gfd n GLN 14 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1gfd s GLU 15 N 0.00 3.19 -0.41 -1.09 2.02 -1.26 -5.02 118.70 116.13 1gfd s GLU 15 Ca 0.00 -0.51 -0.27 0.00 0.02 0.00 0.00 54.97 54.20 1gfd s GLU 15 Cb 0.00 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1gfd s GLU 15 CO 0.00 0.61 2.02 -0.51 0.02 0.00 0.00 175.26 177.40 1gfd s ASP 16 N -2.25 5.36 0.00 -0.19 1.01 -1.26 -1.75 116.67 117.58 1gfd s ASP 16 Ca 0.30 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.70 1gfd s ASP 16 Cb -0.12 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1gfd s ASP 16 CO 0.22 -2.16 0.00 0.61 0.21 0.00 0.00 175.17 174.05 1gfd n GLY 17 N 5.67 0.63 3.98 0.21 0.00 -1.26 -5.06 105.19 109.37 1gfd n GLY 17 Ca 0.26 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 1gfd n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gfd s GLU 18 N -3.85 2.48 0.65 1.61 2.12 -0.72 -4.62 118.70 116.38 1gfd s GLU 18 Ca 0.00 -0.85 -0.14 0.00 0.36 0.00 0.00 54.97 54.34 1gfd s GLU 18 Cb 0.00 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.89 1gfd s GLU 18 CO 0.00 -0.75 1.08 -1.17 -0.54 0.00 0.00 175.26 173.88 1gfd s LEU 19 N -4.77 3.36 -0.17 2.70 2.96 -1.00 -4.78 118.68 116.98 1gfd s LEU 19 Ca 0.58 1.86 -0.05 0.00 -0.22 0.00 0.00 54.13 56.31 1gfd s LEU 19 Cb -0.10 -4.53 0.08 0.00 0.50 0.00 0.00 46.19 42.14 1gfd s LEU 19 CO 0.39 -1.47 0.31 -0.83 -1.32 0.00 0.00 176.35 173.43 1gfd s GLY 20 N -2.89 -0.20 0.00 7.98 0.00 -1.26 -3.84 107.32 107.11 1gfd s GLY 20 Ca 0.64 0.97 0.00 0.00 0.00 0.00 0.00 44.72 46.33 1gfd s GLY 20 CO 0.43 2.19 0.00 1.97 0.00 0.00 0.00 173.10 177.69 1gfd n PHE 21 N 5.36 0.00 -4.21 1.90 -1.74 -0.96 -4.78 117.46 113.04 1gfd n PHE 21 Ca -0.06 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.63 1gfd n PHE 21 Cb 0.50 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.33 1gfd n PHE 21 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1gfd s ARG 22 N -1.79 0.89 0.00 3.97 1.81 -1.26 -2.23 118.95 120.34 1gfd s ARG 22 Ca 0.00 -0.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 1gfd s ARG 22 Cb 0.00 -0.86 0.00 0.00 -0.45 0.00 0.00 34.95 33.64 1gfd s ARG 22 CO 0.00 -0.06 0.00 -2.13 -0.68 0.00 0.00 175.30 172.43 1gfd n ARG 23 N 3.97 0.00 0.00 3.54 0.00 -1.14 -0.16 116.66 122.88 1gfd n ARG 23 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 1gfd n ARG 23 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1gfd n ARG 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gfd n GLY 24 N 0.00 3.07 3.67 5.14 0.00 -0.36 -4.89 105.19 111.82 1gfd n GLY 24 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gfd n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gfd s ASP 25 N -0.80 6.60 -0.44 1.61 1.11 0.77 -4.43 116.67 121.09 1gfd s ASP 25 Ca 0.00 2.41 -0.29 0.00 0.18 0.00 0.00 52.55 54.85 1gfd s ASP 25 Cb 0.00 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1gfd s ASP 25 CO 0.00 -0.94 1.28 -0.36 1.18 0.00 0.00 175.17 176.33 1gfd s PHE 26 N 3.64 2.60 0.41 4.23 0.40 -1.26 -0.39 117.98 127.61 1gfd s PHE 26 Ca 0.77 0.70 -0.23 0.00 -0.60 0.00 0.00 56.93 57.56 1gfd s PHE 26 Cb -0.37 -4.36 -0.09 0.00 0.51 0.00 0.00 43.02 38.70 1gfd s PHE 26 CO 0.33 -1.64 1.03 -1.50 0.70 0.00 0.00 175.22 174.14 1gfd s ILE 27 N 4.95 3.85 -0.78 0.64 1.10 -1.24 -4.73 121.20 124.99 1gfd s ILE 27 Ca 0.55 1.36 -0.11 0.00 -0.51 0.00 0.00 60.65 61.94 1gfd s ILE 27 Cb -0.11 -3.67 0.21 0.00 0.15 0.00 0.00 42.46 39.04 1gfd s ILE 27 CO 0.32 -0.05 0.69 -2.28 -2.11 0.00 0.00 174.94 171.51 1gfd s HIS 28 N -1.76 3.68 -0.64 3.50 5.65 0.27 -2.31 115.29 123.67 1gfd s HIS 28 Ca 0.59 -2.22 -0.26 0.00 0.25 0.00 0.00 55.06 53.42 1gfd s HIS 28 Cb -0.19 -3.65 -0.11 0.00 -1.18 0.00 0.00 32.58 27.45 1gfd s HIS 28 CO 0.24 -0.94 2.42 0.28 -0.65 0.00 0.00 174.74 176.09 1gfd n VAL 29 N 3.78 -0.04 0.12 0.89 0.31 -1.26 -1.88 118.33 120.24 1gfd n VAL 29 Ca 0.13 -0.65 -0.02 0.00 -0.01 0.00 0.00 64.34 63.78 1gfd n VAL 29 Cb 0.44 -2.39 0.09 0.00 -0.91 0.00 0.00 33.84 31.07 1gfd n VAL 29 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1gfd h MET 30 N 16.15 0.00 -0.49 5.55 2.86 -1.43 -3.40 114.93 134.17 1gfd h MET 30 Ca -0.12 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.68 1gfd h MET 30 Cb 1.14 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.60 1gfd h MET 30 CO 1.08 0.71 -0.13 0.34 1.06 0.00 0.00 176.91 179.97 1gfd s ASP 31 N -6.76 -0.80 -0.58 1.22 2.15 -1.01 -5.03 116.67 105.87 1gfd s ASP 31 Ca -0.00 0.08 -0.28 0.00 0.43 0.00 0.00 52.55 52.78 1gfd s ASP 31 Cb 0.12 1.50 -0.11 0.00 -0.30 0.00 0.00 42.92 44.12 1gfd s ASP 31 CO 0.77 -0.15 2.45 -0.46 -0.17 0.00 0.00 175.17 177.62 1gfd n ASN 32 N 5.18 1.89 0.00 -0.34 0.23 -1.26 -3.38 115.26 117.58 1gfd n ASN 32 Ca 0.08 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.90 1gfd n ASN 32 Cb 0.57 -1.40 0.00 0.00 -2.08 0.00 0.00 39.78 36.86 1gfd n ASN 32 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1gfd n SER 33 N 13.91 0.00 -4.87 0.53 2.88 -1.26 -4.96 113.62 119.85 1gfd n SER 33 Ca 0.44 0.11 -0.31 0.00 -1.33 0.00 0.00 58.87 57.78 1gfd n SER 33 Cb 0.39 -0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1gfd n SER 33 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1gfd s ASP 34 N -2.92 6.14 0.01 -3.46 1.11 -0.32 -5.00 116.67 112.23 1gfd s ASP 34 Ca 0.00 1.36 -0.07 0.00 0.18 0.00 0.00 52.55 54.02 1gfd s ASP 34 Cb 0.00 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 1gfd s ASP 34 CO 0.00 -0.91 1.04 1.55 1.18 0.00 0.00 175.17 178.02 1gfd h PRO 35 N -0.33 -0.24 -0.12 8.23 0.13 -2.02 -3.22 132.00 134.42 1gfd h PRO 35 Ca -0.44 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1gfd h PRO 35 Cb 1.20 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1gfd h PRO 35 CO 0.62 -0.16 0.00 -1.71 -0.23 0.00 0.00 178.00 176.52 1gfd n ASN 36 N -2.71 1.22 -4.03 1.44 4.05 -1.26 -4.76 115.26 109.20 1gfd n ASN 36 Ca -0.03 -1.62 -0.13 0.00 0.45 0.00 0.00 54.58 53.25 1gfd n ASN 36 Cb 0.10 -0.07 -0.12 0.00 1.23 0.00 0.00 39.78 40.92 1gfd n ASN 36 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1gfd s TRP 37 N -1.85 0.57 0.29 1.20 0.52 -1.22 0.01 118.94 118.46 1gfd s TRP 37 Ca 0.31 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1gfd s TRP 37 Cb 0.16 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 32.11 1gfd s TRP 37 CO 0.25 -0.09 0.28 -1.58 0.02 0.00 0.00 176.95 175.84 1gfd s TRP 38 N -1.22 1.34 -0.10 -1.98 0.51 -0.88 -1.18 118.94 115.44 1gfd s TRP 38 Ca -0.09 -1.44 0.02 0.00 -2.12 0.00 0.00 56.10 52.46 1gfd s TRP 38 Cb -0.09 -0.48 -0.02 0.00 -0.81 0.00 0.00 33.47 32.07 1gfd s TRP 38 CO 0.00 -0.86 -0.15 0.21 -0.51 0.00 0.00 176.95 175.64 1gfd s LYS 39 N -3.63 3.07 0.00 4.98 2.20 -1.22 -2.06 119.74 123.08 1gfd s LYS 39 Ca 0.37 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1gfd s LYS 39 Cb 0.03 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1gfd s LYS 39 CO 0.20 0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 1gfd n GLY 40 N 3.16 3.39 3.48 5.54 0.00 -0.51 -1.12 105.19 119.12 1gfd n GLY 40 Ca -0.18 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1gfd n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gfd s ALA 41 N -1.01 -1.75 0.00 4.61 0.00 -0.79 -1.53 121.76 121.29 1gfd s ALA 41 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1gfd s ALA 41 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1gfd s ALA 41 CO 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 175.76 175.06 1gfd n HIS 43 N 0.00 0.61 -1.63 0.00 -0.00 -1.26 -3.39 115.22 109.56 1gfd n HIS 43 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.72 57.62 1gfd n HIS 43 Cb 0.00 -1.85 -0.00 0.00 -0.00 0.00 0.00 29.99 28.13 1gfd n HIS 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gfd n GLY 44 N 5.72 -0.13 3.50 -1.39 0.00 -1.26 -4.81 105.19 106.81 1gfd n GLY 44 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 1gfd n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gfd s GLN 45 N -3.28 1.35 0.44 1.61 2.00 -1.22 -5.17 119.66 115.38 1gfd s GLN 45 Ca 0.00 -0.80 0.07 0.00 -2.00 0.00 0.00 55.36 52.63 1gfd s GLN 45 Cb 0.00 0.53 0.07 0.00 0.80 0.00 0.00 33.01 34.41 1gfd s GLN 45 CO 0.00 -0.57 0.61 0.25 -0.50 0.00 0.00 175.29 175.07 1gfd n THR 46 N -0.34 0.00 0.00 -0.34 -2.24 -1.26 -0.21 114.28 109.89 1gfd n THR 46 Ca -0.11 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1gfd n THR 46 Cb 0.63 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1gfd n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gfd n GLY 47 N -0.32 2.28 3.88 3.38 0.00 -0.58 -4.38 105.19 109.45 1gfd n GLY 47 Ca 0.12 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1gfd n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gfd s MET 48 N -1.93 3.65 -0.06 1.61 -1.94 -1.26 -1.43 119.30 117.94 1gfd s MET 48 Ca 0.00 -0.00 -0.12 0.00 -1.71 0.00 0.00 55.69 53.85 1gfd s MET 48 Cb 0.00 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.87 1gfd s MET 48 CO 0.00 0.57 0.30 -0.59 -0.01 0.00 0.00 175.02 175.29 1gfd s PHE 49 N -1.43 -0.23 0.15 -0.03 -0.71 -0.88 -2.38 117.98 112.47 1gfd s PHE 49 Ca 0.33 0.49 -0.33 0.00 -1.04 0.00 0.00 56.93 56.38 1gfd s PHE 49 Cb -0.13 0.09 -0.12 0.00 -1.21 0.00 0.00 43.02 41.65 1gfd s PHE 49 CO 0.19 -0.28 1.72 -2.30 -1.34 0.00 0.00 175.22 173.21 1gfd n PRO 50 N 2.02 2.53 -0.17 1.99 -0.02 -1.26 -2.06 135.00 138.02 1gfd n PRO 50 Ca -0.18 0.91 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1gfd n PRO 50 Cb 0.57 -2.75 0.31 0.00 -0.02 0.00 0.00 33.50 31.61 1gfd n PRO 50 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1gfd h ARG 51 N 7.12 0.84 0.00 -0.52 9.65 -0.70 -0.43 114.38 130.34 1gfd h ARG 51 Ca -0.45 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1gfd h ARG 51 Cb 1.23 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1gfd h ARG 51 CO 0.93 0.55 0.00 -1.71 2.80 0.00 0.00 179.97 182.54 1gfd n ASN 52 N -4.45 0.00 -1.34 -3.80 2.85 -1.26 -2.50 115.26 104.77 1gfd n ASN 52 Ca 0.08 -1.01 0.12 0.00 -0.11 0.00 0.00 54.58 53.66 1gfd n ASN 52 Cb 0.10 0.00 0.31 0.00 1.24 0.00 0.00 39.78 41.43 1gfd n ASN 52 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1gfd n TYR 53 N -0.83 0.91 -4.31 1.20 4.02 -0.17 -4.88 117.16 113.10 1gfd n TYR 53 Ca 0.12 -0.46 -0.19 0.00 -0.01 0.00 0.00 57.90 57.36 1gfd n TYR 53 Cb 0.06 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.29 1gfd n TYR 53 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1gfd s VAL 54 N -1.08 0.10 -0.13 -0.72 -7.23 -1.04 0.66 120.40 110.95 1gfd s VAL 54 Ca 0.48 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 1gfd s VAL 54 Cb 0.25 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.76 1gfd s VAL 54 CO 0.33 0.00 0.32 0.28 -0.31 0.00 0.00 175.10 175.72 1gfd s THR 55 N -3.49 -0.02 0.62 5.32 -1.32 -1.17 -4.55 115.64 111.02 1gfd s THR 55 Ca 0.38 0.08 -0.18 0.00 -1.21 0.00 0.00 61.69 60.76 1gfd s THR 55 Cb 0.03 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 1gfd s THR 55 CO 0.24 0.03 1.10 -2.65 -2.21 0.00 0.00 174.62 171.13 1gfd n PRO 56 N 3.82 0.98 0.12 7.08 -0.01 -1.26 -0.38 135.00 145.35 1gfd n PRO 56 Ca -0.21 0.38 0.13 0.00 -0.01 0.00 0.00 63.50 63.80 1gfd n PRO 56 Cb 0.55 -2.32 0.38 0.00 -0.01 0.00 0.00 33.50 32.10 1gfd n PRO 56 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1gfd h VAL 57 N 0.50 0.00 -4.27 -1.45 2.07 -1.86 -3.45 116.25 107.79 1gfd h VAL 57 Ca -0.50 -0.55 -0.26 0.00 0.82 0.00 0.00 66.70 66.22 1gfd h VAL 57 Cb 1.35 1.54 0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1gfd h VAL 57 CO 0.52 0.00 0.10 0.59 0.02 0.00 0.00 177.57 178.80 1gfd n ASN 58 N -2.39 0.64 0.00 0.57 4.13 -1.26 -5.13 115.26 111.81 1gfd n ASN 58 Ca 0.05 -1.58 0.00 0.00 1.68 0.00 0.00 54.58 54.73 1gfd n ASN 58 Cb 0.44 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1gfd n ASN 58 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43