#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f53 s ASP 2 N 0.00 -0.32 -0.28 4.38 1.11 0.64 -4.72 116.67 117.49 1f53 s ASP 2 Ca 0.00 -0.47 -0.11 0.00 0.18 0.00 0.00 52.55 52.15 1f53 s ASP 2 Cb 0.00 0.66 -0.05 0.00 1.07 0.00 0.00 42.92 44.60 1f53 s ASP 2 CO 0.00 -1.19 0.19 -1.00 1.18 0.00 0.00 175.17 174.35 1f53 s HIS 3 N -3.88 3.23 -0.28 4.23 3.76 -1.26 0.12 115.29 121.21 1f53 s HIS 3 Ca 0.09 0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 1f53 s HIS 3 Cb -0.03 -2.37 0.08 0.00 1.11 0.00 0.00 32.58 31.36 1f53 s HIS 3 CO 0.01 -0.14 0.69 0.14 -0.85 0.00 0.00 174.74 174.58 1f53 s VAL 4 N 1.70 -0.00 -0.78 -0.90 -7.23 -1.03 -4.79 120.40 107.38 1f53 s VAL 4 Ca 0.07 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.18 1f53 s VAL 4 Cb -0.16 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.69 1f53 s VAL 4 CO 0.10 0.00 2.43 -0.81 -0.31 0.00 0.00 175.10 176.52 1f53 n PRO 5 N 4.26 2.19 -1.37 4.82 -0.04 -1.26 -3.77 135.00 139.83 1f53 n PRO 5 Ca -0.20 -1.37 0.16 0.00 -0.04 0.00 0.00 63.50 62.05 1f53 n PRO 5 Cb 0.59 -2.34 -0.09 0.00 -0.04 0.00 0.00 33.50 31.62 1f53 n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1f53 n ARG 7 N -4.23 4.40 -0.53 0.00 0.00 -1.26 -4.61 116.66 110.43 1f53 n ARG 7 Ca -0.08 -3.69 0.00 0.00 -0.00 0.00 0.00 57.85 54.07 1f53 n ARG 7 Cb 0.62 -2.48 0.00 0.00 0.00 0.00 0.00 32.46 30.60 1f53 n ARG 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1f53 n GLY 8 N 0.84 1.87 0.00 5.14 0.00 -1.26 -3.31 105.19 108.47 1f53 n GLY 8 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1f53 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f53 n GLY 9 N -2.00 1.73 2.62 -0.02 0.00 -1.26 -5.01 105.19 101.24 1f53 n GLY 9 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1f53 n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f53 n GLU 10 N -0.60 1.27 -1.12 1.61 2.13 -1.21 -5.14 120.64 117.57 1f53 n GLU 10 Ca 0.00 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.59 1f53 n GLU 10 Cb 0.00 0.34 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1f53 n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1f53 n ASN 11 N -1.34 0.00 -0.23 4.31 4.05 -1.26 -4.91 115.26 115.88 1f53 n ASN 11 Ca -0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.88 1f53 n ASN 11 Cb 0.85 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.86 1f53 n ASN 11 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1f53 n PHE 12 N 3.99 -1.26 -4.61 1.20 3.72 -1.26 -4.15 117.46 115.08 1f53 n PHE 12 Ca 0.00 0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1f53 n PHE 12 Cb 0.00 0.04 -0.13 0.00 -0.94 0.00 0.00 39.48 38.45 1f53 n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1f53 s LEU 13 N 0.00 2.96 -0.06 4.37 2.01 -1.04 -4.15 118.68 122.77 1f53 s LEU 13 Ca 0.00 -0.24 0.02 0.00 0.01 0.00 0.00 54.13 53.93 1f53 s LEU 13 Cb 0.00 -1.69 0.01 0.00 0.01 0.00 0.00 46.19 44.52 1f53 s LEU 13 CO 0.00 0.17 -0.13 -0.75 1.01 0.00 0.00 176.35 176.65 1f53 s LYS 14 N 0.34 1.74 -0.03 1.70 2.20 -0.84 -1.65 119.74 123.21 1f53 s LYS 14 Ca -0.08 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 1f53 s LYS 14 Cb -0.15 -1.44 -0.00 0.00 -1.51 0.00 0.00 37.83 34.73 1f53 s LYS 14 CO 0.04 0.05 -0.14 0.42 -0.36 0.00 0.00 175.35 175.37 1f53 s ILE 15 N 0.59 1.16 -0.44 5.43 -1.09 0.27 0.31 121.20 127.43 1f53 s ILE 15 Ca -0.14 -0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 57.50 1f53 s ILE 15 Cb -0.15 -0.99 0.03 0.00 -1.58 0.00 0.00 42.46 39.76 1f53 s ILE 15 CO 0.04 0.34 0.57 0.26 -1.23 0.00 0.00 174.94 174.92 1f53 s TRP 16 N -0.04 3.10 -0.18 3.97 0.51 1.08 0.27 118.94 127.64 1f53 s TRP 16 Ca -0.00 -0.21 -0.04 0.00 -2.12 0.00 0.00 56.10 53.72 1f53 s TRP 16 Cb -0.09 -3.22 -0.02 0.00 -0.81 0.00 0.00 33.47 29.33 1f53 s TRP 16 CO 0.01 -0.83 -0.04 -1.54 -0.51 0.00 0.00 176.95 174.04 1f53 s SER 17 N 2.01 4.59 -0.13 2.95 1.04 0.12 0.37 113.70 124.65 1f53 s SER 17 Ca 0.18 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1f53 s SER 17 Cb -0.16 -1.77 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 1f53 s SER 17 CO 0.16 0.09 -0.17 -2.28 0.98 0.00 0.00 173.24 172.02 1f53 s HIS 18 N 0.85 2.73 0.00 5.02 2.46 0.96 -0.93 115.29 126.38 1f53 s HIS 18 Ca -0.01 -0.95 0.00 0.00 0.47 0.00 0.00 55.06 54.57 1f53 s HIS 18 Cb -0.15 -1.83 0.00 0.00 -0.13 0.00 0.00 32.58 30.48 1f53 s HIS 18 CO 0.02 -0.40 0.00 -1.13 -2.47 0.00 0.00 174.74 170.76 1f53 n SER 19 N 3.77 0.00 0.00 9.88 3.41 -1.23 -3.63 113.62 125.82 1f53 n SER 19 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1f53 n SER 19 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1f53 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f53 n GLY 20 N -0.14 2.22 0.00 5.00 0.00 -1.26 -3.14 105.19 107.88 1f53 n GLY 20 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1f53 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f53 n GLY 21 N 0.00 -0.18 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.78 1f53 n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f53 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f53 n GLN 22 N 0.00 0.00 -1.87 1.61 10.64 -1.19 -5.15 117.38 121.43 1f53 n GLN 22 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 1f53 n GLN 22 Cb 0.00 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.42 1f53 n GLN 22 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1f53 s GLN 23 N -1.51 2.92 -0.29 2.61 -2.07 -1.26 -3.53 119.66 116.53 1f53 s GLN 23 Ca 0.00 1.44 -0.16 0.00 -1.82 0.00 0.00 55.36 54.82 1f53 s GLN 23 Cb 0.00 -1.96 0.16 0.00 -1.09 0.00 0.00 33.01 30.12 1f53 s GLN 23 CO 0.00 -1.16 1.05 0.45 -1.32 0.00 0.00 175.29 174.30 1f53 s SER 24 N -2.40 -0.40 -0.21 12.60 0.15 -0.11 -4.96 113.70 118.38 1f53 s SER 24 Ca 0.68 0.63 -0.20 0.00 0.70 0.00 0.00 55.95 57.77 1f53 s SER 24 Cb -0.21 1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 65.23 1f53 s SER 24 CO 0.38 -0.10 0.58 0.54 1.20 0.00 0.00 173.24 175.84 1f53 s VAL 25 N 1.27 5.05 0.15 4.45 0.11 -1.25 0.15 120.40 130.32 1f53 s VAL 25 Ca -0.09 1.07 -0.16 0.00 -2.93 0.00 0.00 61.98 59.87 1f53 s VAL 25 Cb -0.03 -3.90 -0.07 0.00 -1.53 0.00 0.00 36.38 30.85 1f53 s VAL 25 CO -0.14 0.12 0.59 -0.62 -3.33 0.00 0.00 175.10 171.72 1f53 s ASP 26 N 1.26 6.93 -0.13 3.54 -1.08 0.76 -4.74 116.67 123.21 1f53 s ASP 26 Ca 0.26 1.19 -0.00 0.00 -0.52 0.00 0.00 52.55 53.48 1f53 s ASP 26 Cb -0.16 -2.33 0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1f53 s ASP 26 CO 0.10 0.12 -0.08 0.00 0.52 0.00 0.00 175.17 175.83 1f53 n TYR 28 N 4.90 0.00 -4.01 0.00 4.11 -0.66 -2.45 117.16 119.05 1f53 n TYR 28 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.68 1f53 n TYR 28 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.75 1f53 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1f53 s ALA 29 N -2.00 0.28 0.00 -3.48 0.00 0.32 -2.49 121.76 114.39 1f53 s ALA 29 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1f53 s ALA 29 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1f53 s ALA 29 CO 0.00 -0.52 0.00 0.09 0.00 0.00 0.00 175.76 175.33 1f53 n ASN 30 N -0.09 -2.84 -4.52 0.00 3.02 -1.26 0.24 115.26 109.81 1f53 n ASN 30 Ca -0.10 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.21 1f53 n ASN 30 Cb 0.63 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.70 1f53 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f53 s ARG 31 N 0.00 1.87 0.00 3.52 1.70 -1.26 -4.50 118.95 120.28 1f53 s ARG 31 Ca 0.00 -1.58 0.00 0.00 -0.47 0.00 0.00 55.73 53.68 1f53 s ARG 31 Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 1f53 s ARG 31 CO 0.00 0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.99 1f53 n GLY 32 N -0.48 2.62 3.73 3.88 0.00 0.65 0.21 105.19 115.80 1f53 n GLY 32 Ca -0.07 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1f53 n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1f53 s ARG 33 N -1.85 3.51 -0.14 1.61 1.70 -1.26 0.09 118.95 122.61 1f53 s ARG 33 Ca 0.00 -0.29 -0.02 0.00 -0.47 0.00 0.00 55.73 54.95 1f53 s ARG 33 Cb 0.00 -3.08 0.05 0.00 -0.57 0.00 0.00 34.95 31.34 1f53 s ARG 33 CO 0.00 0.57 0.02 -1.50 -1.08 0.00 0.00 175.30 173.31 1f53 s ILE 34 N -0.47 0.42 0.16 4.99 2.07 -0.66 -4.84 121.20 122.87 1f53 s ILE 34 Ca 0.10 -0.24 -0.31 0.00 -1.41 0.00 0.00 60.65 58.79 1f53 s ILE 34 Cb -0.12 -0.79 -0.17 0.00 0.13 0.00 0.00 42.46 41.51 1f53 s ILE 34 CO 0.02 -0.01 0.82 -0.67 -1.91 0.00 0.00 174.94 173.19 1f53 n ASP 35 N 5.11 -0.15 -0.13 4.50 2.03 -1.26 -1.39 116.55 125.26 1f53 n ASP 35 Ca -0.08 1.14 -0.18 0.00 0.52 0.00 0.00 54.79 56.19 1f53 n ASP 35 Cb 0.49 -1.04 -0.12 0.00 -0.72 0.00 0.00 41.12 39.73 1f53 n ASP 35 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1f53 n PHE 36 N 0.64 0.01 0.00 -0.67 -0.00 -1.06 -4.76 117.46 111.61 1f53 n PHE 36 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1f53 n PHE 36 Cb 0.22 -1.00 0.00 0.00 -0.00 0.00 0.00 39.48 38.70 1f53 n PHE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1f53 n GLY 37 N 2.26 0.01 1.86 7.13 0.00 -1.25 -4.78 105.19 110.41 1f53 n GLY 37 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1f53 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f53 n GLY 38 N 0.00 0.46 0.00 -0.02 0.00 -0.96 -4.91 105.19 99.77 1f53 n GLY 38 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1f53 n GLY 38 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1f53 n TRP 39 N -2.93 0.00 -2.74 1.61 -0.00 -1.00 -4.59 117.44 107.79 1f53 n TRP 39 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 1f53 n TRP 39 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 31.31 31.36 1f53 n TRP 39 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 177.69 178.60 1f53 n TRP 40 N 0.00 -3.12 -4.18 5.87 5.03 -1.26 -4.43 117.44 115.35 1f53 n TRP 40 Ca 0.00 -1.66 -0.11 0.00 3.03 0.00 0.00 57.50 58.76 1f53 n TRP 40 Cb 0.00 1.53 -0.10 0.00 -1.03 0.00 0.00 31.31 31.71 1f53 n TRP 40 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 1f53 s VAL 41 N 0.65 0.48 0.00 -0.99 0.11 -1.24 -3.73 120.40 115.68 1f53 s VAL 41 Ca 0.31 -1.93 0.00 0.00 -2.93 0.00 0.00 61.98 57.44 1f53 s VAL 41 Cb 0.23 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1f53 s VAL 41 CO -0.24 -0.66 0.00 -0.67 -3.33 0.00 0.00 175.10 170.21 1f53 n ASP 42 N -0.10 0.00 0.00 3.54 2.03 1.18 -0.03 116.55 123.17 1f53 n ASP 42 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1f53 n ASP 42 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1f53 n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1f53 n LYS 43 N 0.00 0.00 -3.74 -0.67 4.81 -0.77 -4.58 118.16 113.21 1f53 n LYS 43 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1f53 n LYS 43 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1f53 n LYS 43 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1f53 s ILE 44 N -2.00 -0.02 -0.71 3.15 1.09 0.60 0.35 121.20 123.66 1f53 s ILE 44 Ca 0.00 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.65 1f53 s ILE 44 Cb 0.00 -0.46 0.20 0.00 -1.06 0.00 0.00 42.46 41.14 1f53 s ILE 44 CO 0.00 0.02 0.61 -0.24 -0.10 0.00 0.00 174.94 175.24 1f53 n SER 45 N 3.52 3.41 -3.54 3.58 2.88 0.93 -1.63 113.62 122.78 1f53 n SER 45 Ca -0.18 -3.29 -0.41 0.00 -1.33 0.00 0.00 58.87 53.66 1f53 n SER 45 Cb 0.56 -0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1f53 n SER 45 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1f53 n THR 46 N 1.61 4.31 -1.85 2.46 -2.24 -0.51 -1.99 114.28 116.07 1f53 n THR 46 Ca 0.23 -3.35 -0.35 0.00 -2.27 0.00 0.00 64.05 58.31 1f53 n THR 46 Cb 0.37 -2.46 -0.02 0.00 -2.10 0.00 0.00 70.33 66.12 1f53 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f53 n GLY 47 N 3.18 4.97 0.00 3.38 0.00 -1.26 0.41 105.19 115.87 1f53 n GLY 47 Ca 0.63 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1f53 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f53 n ASN 48 N 1.21 0.00 -3.57 1.61 5.15 -1.26 -4.36 115.26 114.04 1f53 n ASN 48 Ca 0.56 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 54.39 1f53 n ASN 48 Cb 0.36 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.55 1f53 n ASN 48 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1f53 s ASN 49 N 0.00 -0.64 -1.04 1.20 0.01 -1.25 -4.91 114.94 108.30 1f53 s ASN 49 Ca 0.00 0.94 -0.23 0.00 -0.71 0.00 0.00 52.86 52.86 1f53 s ASN 49 Cb 0.00 0.85 0.03 0.00 0.41 0.00 0.00 41.25 42.54 1f53 s ASN 49 CO 0.00 -0.42 1.59 -1.81 -1.51 0.00 0.00 177.10 174.95 1f53 s ASP 50 N -0.55 6.24 0.13 -1.22 1.11 -1.25 0.40 116.67 121.54 1f53 s ASP 50 Ca -0.05 -1.43 -0.26 0.00 0.18 0.00 0.00 52.55 50.99 1f53 s ASP 50 Cb -0.02 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.33 1f53 s ASP 50 CO 0.05 -1.75 0.81 -0.22 1.18 0.00 0.00 175.17 175.23 1f53 s LEU 51 N 6.05 4.55 -0.17 1.23 2.96 0.17 0.78 118.68 134.24 1f53 s LEU 51 Ca 0.52 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 56.08 1f53 s LEU 51 Cb -0.01 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 43.37 1f53 s LEU 51 CO -0.05 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.31 1f53 s ILE 52 N -0.74 1.85 -0.23 6.68 1.01 -0.40 0.34 121.20 129.70 1f53 s ILE 52 Ca 0.38 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1f53 s ILE 52 Cb -0.23 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.57 1f53 s ILE 52 CO 0.26 0.45 -0.12 -0.72 0.00 0.00 0.00 174.94 174.81 1f53 s TYR 53 N 1.36 2.96 -0.57 3.97 1.13 -0.17 0.21 117.35 126.25 1f53 s TYR 53 Ca 0.04 -2.04 -0.26 0.00 -1.41 0.00 0.00 57.07 53.40 1f53 s TYR 53 Cb -0.14 -1.85 -0.07 0.00 -1.10 0.00 0.00 41.96 38.81 1f53 s TYR 53 CO -0.11 -0.84 2.27 0.71 -2.51 0.00 0.00 175.55 175.07 1f53 s TYR 54 N 1.21 1.23 1.18 -3.49 1.51 -0.52 -1.83 117.35 116.65 1f53 s TYR 54 Ca -0.05 1.41 -0.18 0.00 -1.01 0.00 0.00 57.07 57.24 1f53 s TYR 54 Cb -0.18 -3.69 0.28 0.00 -0.11 0.00 0.00 41.96 38.25 1f53 s TYR 54 CO -0.07 -2.35 1.09 0.34 -1.11 0.00 0.00 175.55 173.45 1f53 s ASP 55 N 11.03 1.07 0.43 2.29 2.15 -1.08 0.10 116.67 132.67 1f53 s ASP 55 Ca 0.89 0.77 0.39 0.00 0.43 0.00 0.00 52.55 55.03 1f53 s ASP 55 Cb -0.15 -1.12 1.37 0.00 -0.30 0.00 0.00 42.92 42.72 1f53 s ASP 55 CO 0.22 -4.05 1.24 0.00 -0.17 0.00 0.00 175.17 172.42 1f53 n ALA 56 N -4.73 1.48 0.02 3.66 0.00 -0.17 0.41 120.51 121.18 1f53 n ALA 56 Ca 0.11 0.54 0.01 0.00 0.00 0.00 0.00 53.44 54.10 1f53 n ALA 56 Cb 0.59 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.32 1f53 n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1f53 n ASN 57 N -3.61 3.38 -2.38 0.00 5.03 -1.26 -4.78 115.26 111.63 1f53 n ASN 57 Ca 0.35 -2.53 -0.10 0.00 0.87 0.00 0.00 54.58 53.18 1f53 n ASN 57 Cb 1.58 -0.61 -0.01 0.00 -1.02 0.00 0.00 39.78 39.72 1f53 n ASN 57 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f53 n GLY 58 N 0.20 -0.41 3.57 7.41 0.00 1.38 -4.73 105.19 112.61 1f53 n GLY 58 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1f53 n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f53 s ASP 59 N -2.01 6.30 -0.59 1.61 -1.08 -1.12 -4.64 116.67 115.13 1f53 s ASP 59 Ca 0.00 -1.83 -0.12 0.00 -0.52 0.00 0.00 52.55 50.07 1f53 s ASP 59 Cb 0.00 -2.58 -0.15 0.00 -1.46 0.00 0.00 42.92 38.73 1f53 s ASP 59 CO 0.00 -1.71 1.71 -0.24 0.52 0.00 0.00 175.17 175.45 1f53 n SER 60 N 9.98 -0.50 -4.56 -0.34 2.88 -1.26 -2.62 113.62 117.19 1f53 n SER 60 Ca 0.42 -1.55 -0.34 0.00 -1.33 0.00 0.00 58.87 56.08 1f53 n SER 60 Cb 0.48 -1.03 -0.04 0.00 -0.75 0.00 0.00 64.21 62.86 1f53 n SER 60 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1f53 s VAL 61 N 6.70 3.65 -0.81 2.46 1.01 -0.76 -4.65 120.40 128.00 1f53 s VAL 61 Ca 0.60 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1f53 s VAL 61 Cb -0.20 -4.47 0.10 0.00 0.00 0.00 0.00 36.38 31.82 1f53 s VAL 61 CO 0.17 -1.39 1.05 -0.60 0.00 0.00 0.00 175.10 174.34 1f53 s ARG 62 N 6.13 3.37 0.40 2.72 3.00 -1.23 -1.00 118.95 132.35 1f53 s ARG 62 Ca 0.59 -1.34 -0.21 0.00 -1.00 0.00 0.00 55.73 53.78 1f53 s ARG 62 Cb -0.04 -4.62 -0.11 0.00 0.00 0.00 0.00 34.95 30.18 1f53 s ARG 62 CO -0.03 -1.80 0.91 0.08 0.00 0.00 0.00 175.30 174.47 1f53 s VAL 63 N 3.34 4.42 -1.08 7.11 1.01 1.03 -4.80 120.40 131.43 1f53 s VAL 63 Ca 0.28 1.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 1f53 s VAL 63 Cb -0.10 -3.64 0.29 0.00 0.00 0.00 0.00 36.38 32.92 1f53 s VAL 63 CO -0.01 -0.25 1.22 -0.90 0.00 0.00 0.00 175.10 175.17 1f53 n ASP 64 N -0.46 5.73 -0.25 3.32 5.75 -1.26 0.43 116.55 129.79 1f53 n ASP 64 Ca 0.06 -3.20 0.02 0.00 -0.01 0.00 0.00 54.79 51.66 1f53 n ASP 64 Cb 0.53 -1.30 -0.01 0.00 -1.03 0.00 0.00 41.12 39.32 1f53 n ASP 64 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1f53 n ARG 65 N 2.08 -0.31 -3.89 0.11 -4.01 0.16 -4.62 116.66 106.19 1f53 n ARG 65 Ca 0.25 0.21 -0.27 0.00 -1.04 0.00 0.00 57.85 57.00 1f53 n ARG 65 Cb 0.37 -0.48 0.00 0.00 -3.04 0.00 0.00 32.46 29.31 1f53 n ARG 65 CO 0.00 0.00 0.00 0.91 -3.04 0.00 0.00 177.63 175.50 1f53 n TRP 66 N -1.19 -0.79 -3.68 2.89 8.01 1.37 -4.71 117.44 119.33 1f53 n TRP 66 Ca -0.00 0.08 -0.10 0.00 -1.31 0.00 0.00 57.50 56.16 1f53 n TRP 66 Cb 0.52 -1.63 -0.09 0.00 -2.01 0.00 0.00 31.31 28.10 1f53 n TRP 66 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 1f53 s HIS 67 N -4.08 -0.75 -0.34 -5.99 3.76 -0.88 -4.89 115.29 102.12 1f53 s HIS 67 Ca 0.25 1.60 -0.03 0.00 -0.15 0.00 0.00 55.06 56.73 1f53 s HIS 67 Cb -0.14 0.36 0.07 0.00 1.11 0.00 0.00 32.58 33.98 1f53 s HIS 67 CO 0.58 -0.39 0.09 0.16 -0.85 0.00 0.00 174.74 174.34 1f53 s ASP 68 N 1.15 5.12 0.26 1.40 -4.77 -1.26 -1.42 116.67 117.15 1f53 s ASP 68 Ca -0.07 -1.48 0.12 0.00 -3.30 0.00 0.00 52.55 47.82 1f53 s ASP 68 Cb -0.06 -1.79 -0.05 0.00 -1.09 0.00 0.00 42.92 39.93 1f53 s ASP 68 CO -0.11 -0.37 -0.21 -0.51 0.70 0.00 0.00 175.17 174.67 1f53 s ILE 69 N 1.26 2.44 0.00 2.11 -1.16 -0.64 -4.87 121.20 120.33 1f53 s ILE 69 Ca -0.00 -2.31 0.00 0.00 -0.51 0.00 0.00 60.65 57.82 1f53 s ILE 69 Cb -0.21 -2.25 0.00 0.00 0.61 0.00 0.00 42.46 40.61 1f53 s ILE 69 CO -0.01 -0.33 0.00 0.41 -2.81 0.00 0.00 174.94 172.20 1f53 n THR 70 N -0.40 0.00 -2.71 4.00 -1.04 -1.26 0.22 114.28 113.09 1f53 n THR 70 Ca -0.07 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.88 1f53 n THR 70 Cb 0.59 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.16 1f53 n THR 70 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1f53 n TYR 71 N 0.00 0.04 1.26 -1.42 4.01 -1.26 -4.86 117.16 114.92 1f53 n TYR 71 Ca 0.00 -2.34 0.10 0.00 -0.16 0.00 0.00 57.90 55.50 1f53 n TYR 71 Cb 0.00 0.30 0.60 0.00 -0.31 0.00 0.00 39.34 39.93 1f53 n TYR 71 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1f53 n PRO 72 N -0.46 0.61 0.01 -0.72 -0.04 -1.26 -4.19 135.00 128.96 1f53 n PRO 72 Ca 0.03 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1f53 n PRO 72 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1f53 n PRO 72 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1f53 n ASN 73 N -1.03 -0.09 -3.24 3.54 2.85 -1.26 -5.11 115.26 110.91 1f53 n ASN 73 Ca 0.15 0.05 -0.13 0.00 -0.11 0.00 0.00 54.58 54.53 1f53 n ASN 73 Cb 0.08 0.20 0.13 0.00 1.24 0.00 0.00 39.78 41.43 1f53 n ASN 73 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1f53 n ARG 74 N -2.58 -2.06 -2.00 1.20 1.74 -1.26 -4.74 116.66 106.96 1f53 n ARG 74 Ca 0.00 -0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 56.02 1f53 n ARG 74 Cb 0.00 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1f53 n ARG 74 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1f53 s PRO 75 N -3.38 3.13 -0.64 5.56 0.04 -1.26 -4.94 135.00 133.51 1f53 s PRO 75 Ca 0.30 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.32 1f53 s PRO 75 Cb -0.05 -4.25 0.07 0.00 0.04 0.00 0.00 34.50 30.30 1f53 s PRO 75 CO 0.25 -2.11 0.95 -1.25 0.04 0.00 0.00 177.00 174.88 1f53 s PRO 76 N 6.06 3.14 0.00 0.56 0.04 -1.26 -3.15 135.00 140.39 1f53 s PRO 76 Ca 0.77 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1f53 s PRO 76 Cb -0.20 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1f53 s PRO 76 CO 0.30 -1.75 0.00 1.17 0.04 0.00 0.00 177.00 176.76 1f53 n LYS 77 N 7.63 0.00 -1.68 4.56 4.81 -1.26 -4.73 118.16 127.48 1f53 n LYS 77 Ca -0.03 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.97 1f53 n LYS 77 Cb 0.46 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.47 1f53 n LYS 77 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1f53 n VAL 78 N 0.00 0.49 0.56 3.15 0.31 -1.26 -1.00 118.33 120.58 1f53 n VAL 78 Ca 0.00 -0.09 0.12 0.00 -0.01 0.00 0.00 64.34 64.37 1f53 n VAL 78 Cb 0.00 -2.09 0.25 0.00 -0.91 0.00 0.00 33.84 31.09 1f53 n VAL 78 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1f53 h ASN 79 N 9.05 0.00 0.00 4.52 -0.26 0.46 -2.45 115.58 126.90 1f53 h ASN 79 Ca -0.48 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.15 1f53 h ASN 79 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1f53 h ASN 79 CO 0.94 0.06 0.00 -1.54 -1.06 0.00 0.00 177.43 175.83 1f53 n SER 80 N -2.24 0.00 -4.86 5.81 3.41 -1.25 -2.57 113.62 111.91 1f53 n SER 80 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.39 1f53 n SER 80 Cb 0.44 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1f53 n SER 80 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1f53 s ILE 81 N -2.00 1.81 -0.34 -1.33 1.01 -0.48 -1.44 121.20 118.42 1f53 s ILE 81 Ca 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 60.65 59.05 1f53 s ILE 81 Cb 0.00 -2.37 0.24 0.00 0.01 0.00 0.00 42.46 40.34 1f53 s ILE 81 CO 0.00 0.00 1.14 1.21 0.00 0.00 0.00 174.94 177.29 1f53 n GLU 82 N -1.61 0.14 -2.55 2.79 2.13 0.57 -1.66 120.64 120.45 1f53 n GLU 82 Ca -0.03 -0.80 -0.35 0.00 0.66 0.00 0.00 57.16 56.64 1f53 n GLU 82 Cb 0.64 -0.08 -0.04 0.00 0.27 0.00 0.00 31.44 32.23 1f53 n GLU 82 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1f53 s ILE 83 N 0.63 3.76 0.00 6.31 1.01 0.11 -1.28 121.20 131.74 1f53 s ILE 83 Ca 0.25 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1f53 s ILE 83 Cb 0.16 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1f53 s ILE 83 CO -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 174.94 174.74