#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f56 s VAL 2 N 0.00 2.49 -0.05 0.00 1.01 -1.26 -0.46 120.40 122.13 1f56 s VAL 2 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1f56 s VAL 2 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1f56 s VAL 2 CO 0.00 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.18 1f56 s TYR 3 N 0.50 1.53 0.08 5.22 1.51 -0.09 -4.97 117.35 121.13 1f56 s TYR 3 Ca -0.12 -0.47 -0.24 0.00 -1.01 0.00 0.00 57.07 55.23 1f56 s TYR 3 Cb -0.17 -1.06 -0.06 0.00 -0.11 0.00 0.00 41.96 40.56 1f56 s TYR 3 CO 0.05 -0.19 0.72 -0.80 -1.11 0.00 0.00 175.55 174.22 1f56 s ASN 4 N 0.24 7.22 -0.10 2.29 0.01 -1.26 -0.01 114.94 123.33 1f56 s ASN 4 Ca -0.07 1.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.55 1f56 s ASN 4 Cb -0.12 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 1f56 s ASN 4 CO 0.02 0.13 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.97 1f56 s ILE 5 N -0.60 3.00 -0.69 0.60 -1.09 0.15 -4.78 121.20 117.79 1f56 s ILE 5 Ca 0.35 -0.70 -0.24 0.00 -2.23 0.00 0.00 60.65 57.83 1f56 s ILE 5 Cb -0.21 -2.22 0.06 0.00 -1.58 0.00 0.00 42.46 38.51 1f56 s ILE 5 CO 0.23 0.55 1.06 -0.83 -1.23 0.00 0.00 174.94 174.71 1f56 s GLY 6 N -0.01 1.25 -0.78 6.18 0.00 0.05 -1.61 107.32 112.41 1f56 s GLY 6 Ca -0.04 -1.75 -0.23 0.00 0.00 0.00 0.00 44.72 42.70 1f56 s GLY 6 CO 0.04 2.22 1.15 0.86 0.00 0.00 0.00 173.10 177.37 1f56 s TRP 7 N 4.48 2.61 0.34 1.90 -0.00 -0.83 -1.89 118.94 125.55 1f56 s TRP 7 Ca 0.26 -0.59 -0.06 0.00 -0.00 0.00 0.00 56.10 55.71 1f56 s TRP 7 Cb -0.14 -4.45 0.01 0.00 -0.00 0.00 0.00 33.47 28.89 1f56 s TRP 7 CO 0.11 -1.79 0.53 0.45 -0.00 0.00 0.00 176.95 176.25 1f56 s SER 8 N 3.89 0.68 0.42 5.86 0.15 -1.26 -4.67 113.70 118.76 1f56 s SER 8 Ca 0.31 -1.38 0.16 0.00 0.70 0.00 0.00 55.95 55.73 1f56 s SER 8 Cb -0.10 0.69 1.04 0.00 -1.71 0.00 0.00 66.02 65.95 1f56 s SER 8 CO 0.05 -1.36 1.89 -0.26 1.20 0.00 0.00 173.24 174.76 1f56 h PHE 9 N 2.10 0.54 -3.62 3.44 0.04 -1.92 -2.73 116.94 114.79 1f56 h PHE 9 Ca -0.29 0.02 -0.73 0.00 2.80 0.00 0.00 57.97 59.77 1f56 h PHE 9 Cb 1.24 -0.17 -0.32 0.00 2.20 0.00 0.00 35.95 38.90 1f56 h PHE 9 CO 1.39 0.18 -0.22 1.21 -0.60 0.00 0.00 178.31 180.27 1f56 s ASN 10 N -5.80 5.73 0.25 2.17 3.84 -1.26 -4.20 114.94 115.67 1f56 s ASN 10 Ca -0.08 -2.76 -0.30 0.00 0.21 0.00 0.00 52.86 49.92 1f56 s ASN 10 Cb 0.22 -1.97 -0.10 0.00 -0.55 0.00 0.00 41.25 38.84 1f56 s ASN 10 CO 0.78 -0.45 1.47 -0.69 -2.79 0.00 0.00 177.10 175.42 1f56 s VAL 11 N 0.07 2.58 0.12 -5.21 1.01 -1.03 -4.91 120.40 113.03 1f56 s VAL 11 Ca 0.17 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1f56 s VAL 11 Cb -0.17 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1f56 s VAL 11 CO -0.05 0.07 -0.16 0.54 0.00 0.00 0.00 175.10 175.50 1f56 s ASN 12 N 0.45 2.23 0.00 3.32 4.22 -0.79 -4.81 114.94 119.56 1f56 s ASN 12 Ca 0.61 -0.77 0.00 0.00 -2.14 0.00 0.00 52.86 50.55 1f56 s ASN 12 Cb -0.43 -0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.00 1f56 s ASN 12 CO 0.43 -0.07 0.00 0.61 -2.04 0.00 0.00 177.10 176.03 1f56 n GLY 13 N 0.67 0.42 0.02 0.45 0.00 -1.26 -0.77 105.19 104.72 1f56 n GLY 13 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1f56 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f56 n ALA 14 N -1.84 1.95 -1.88 4.61 0.00 -1.26 -4.91 120.51 117.18 1f56 n ALA 14 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1f56 n ALA 14 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1f56 n ALA 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f56 s ARG 15 N -2.14 4.19 -0.60 0.00 0.52 -1.26 -3.03 118.95 116.62 1f56 s ARG 15 Ca -0.02 2.40 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 1f56 s ARG 15 Cb 0.02 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.96 1f56 s ARG 15 CO 0.17 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.16 1f56 n GLY 16 N 4.01 0.69 3.60 -3.53 0.00 -1.26 -5.00 105.19 103.70 1f56 n GLY 16 Ca 0.16 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1f56 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f56 s LYS 17 N -2.08 2.25 -0.07 1.61 1.02 -1.17 -5.11 119.74 116.19 1f56 s LYS 17 Ca 0.00 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 1f56 s LYS 17 Cb 0.00 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1f56 s LYS 17 CO 0.00 0.53 0.40 -1.54 -0.92 0.00 0.00 175.35 173.81 1f56 s SER 18 N -2.10 6.68 0.23 2.83 1.04 -1.26 -5.02 113.70 116.10 1f56 s SER 18 Ca 0.21 0.81 0.11 0.00 0.48 0.00 0.00 55.95 57.56 1f56 s SER 18 Cb -0.11 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1f56 s SER 18 CO 0.13 0.19 -0.20 -0.36 0.98 0.00 0.00 173.24 173.99 1f56 s PHE 19 N -0.27 2.12 0.09 5.02 0.40 -1.26 -5.11 117.98 118.97 1f56 s PHE 19 Ca 0.23 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 1f56 s PHE 19 Cb -0.15 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1f56 s PHE 19 CO 0.10 0.55 -0.14 1.03 0.70 0.00 0.00 175.22 177.46 1f56 s ARG 20 N -3.24 0.88 0.36 0.44 1.81 -1.26 -2.30 118.95 115.63 1f56 s ARG 20 Ca 0.24 -1.04 -0.27 0.00 -1.72 0.00 0.00 55.73 52.94 1f56 s ARG 20 Cb -0.05 -0.84 -0.12 0.00 -0.45 0.00 0.00 34.95 33.49 1f56 s ARG 20 CO 0.11 0.18 1.25 0.00 -0.68 0.00 0.00 175.30 176.16 1f56 n ALA 21 N 1.05 1.11 0.00 2.13 0.00 -1.26 -1.72 120.51 121.82 1f56 n ALA 21 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1f56 n ALA 21 Cb 0.55 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1f56 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f56 n GLY 22 N 0.83 3.27 3.73 0.00 0.00 -0.62 -4.97 105.19 107.44 1f56 n GLY 22 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1f56 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f56 s ASP 23 N -0.54 4.63 -0.20 1.61 1.01 -0.70 -4.60 116.67 117.89 1f56 s ASP 23 Ca 0.00 2.54 -0.05 0.00 0.71 0.00 0.00 52.55 55.75 1f56 s ASP 23 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1f56 s ASP 23 CO 0.00 -1.98 0.01 -0.69 0.21 0.00 0.00 175.17 172.72 1f56 s VAL 24 N -1.53 4.02 -0.14 -1.27 1.01 0.39 -0.77 120.40 122.12 1f56 s VAL 24 Ca 0.80 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1f56 s VAL 24 Cb -0.35 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1f56 s VAL 24 CO 0.39 0.43 0.12 -0.76 0.00 0.00 0.00 175.10 175.28 1f56 s LEU 25 N 0.94 4.23 -0.33 3.92 1.43 0.31 -0.91 118.68 128.26 1f56 s LEU 25 Ca 0.01 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1f56 s LEU 25 Cb -0.14 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1f56 s LEU 25 CO 0.02 0.32 0.05 -0.69 0.23 0.00 0.00 176.35 176.28 1f56 s VAL 26 N -0.51 2.96 -0.28 -1.59 1.01 0.99 -1.24 120.40 121.73 1f56 s VAL 26 Ca 0.12 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.16 1f56 s VAL 26 Cb -0.12 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1f56 s VAL 26 CO 0.02 -0.29 1.04 -0.36 0.00 0.00 0.00 175.10 175.51 1f56 s PHE 27 N 1.18 3.23 -0.14 5.22 0.40 -0.37 0.32 117.98 127.83 1f56 s PHE 27 Ca -0.01 1.29 -0.01 0.00 -0.60 0.00 0.00 56.93 57.61 1f56 s PHE 27 Cb -0.20 -3.49 -0.02 0.00 0.51 0.00 0.00 43.02 39.82 1f56 s PHE 27 CO -0.03 -0.64 -0.11 0.15 0.70 0.00 0.00 175.22 175.30 1f56 s LYS 28 N 3.43 3.44 0.08 0.44 1.02 -0.63 -2.00 119.74 125.51 1f56 s LYS 28 Ca 0.44 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 1f56 s LYS 28 Cb -0.13 -2.69 0.09 0.00 -0.52 0.00 0.00 37.83 34.58 1f56 s LYS 28 CO 0.11 0.22 1.17 1.52 -0.92 0.00 0.00 175.35 177.44 1f56 s TYR 29 N 0.36 0.02 -0.22 3.18 1.13 -0.41 -1.97 117.35 119.45 1f56 s TYR 29 Ca -0.10 -0.27 -0.24 0.00 -1.41 0.00 0.00 57.07 55.06 1f56 s TYR 29 Cb -0.16 0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 1f56 s TYR 29 CO 0.05 -0.57 0.80 0.42 -2.51 0.00 0.00 175.55 173.74 1f56 s ILE 30 N -2.22 4.87 0.01 -3.49 1.01 -1.26 -4.42 121.20 115.70 1f56 s ILE 30 Ca 0.23 1.52 -0.37 0.00 0.00 0.00 0.00 60.65 62.04 1f56 s ILE 30 Cb -0.01 -4.09 -0.16 0.00 0.01 0.00 0.00 42.46 38.21 1f56 s ILE 30 CO 0.01 -0.03 1.51 1.17 0.00 0.00 0.00 174.94 177.61 1f56 n LYS 31 N 5.71 1.42 0.00 2.79 4.81 -1.26 -1.54 118.16 130.09 1f56 n LYS 31 Ca 0.04 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1f56 n LYS 31 Cb 0.48 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1f56 n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f56 n GLY 32 N 3.17 3.15 0.10 3.14 0.00 -1.26 -4.89 105.19 108.60 1f56 n GLY 32 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1f56 n GLY 32 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f56 n GLN 33 N -1.22 0.50 -3.95 1.61 6.02 -0.59 -4.98 117.38 114.78 1f56 n GLN 33 Ca 0.00 0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 56.98 1f56 n GLN 33 Cb 0.00 -1.77 -0.01 0.00 1.02 0.00 0.00 30.24 29.47 1f56 n GLN 33 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1f56 s HIS 34 N -3.30 0.53 0.21 1.08 3.76 -1.26 -5.05 115.29 111.25 1f56 s HIS 34 Ca 0.01 -0.97 -0.09 0.00 -0.15 0.00 0.00 55.06 53.87 1f56 s HIS 34 Cb 0.11 0.37 -0.01 0.00 1.11 0.00 0.00 32.58 34.16 1f56 s HIS 34 CO 0.78 -1.30 0.34 0.54 -0.85 0.00 0.00 174.74 174.24 1f56 s ASN 35 N -3.13 0.00 -0.16 1.40 2.20 -1.26 -4.89 114.94 109.11 1f56 s ASN 35 Ca 0.22 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.14 1f56 s ASN 35 Cb -0.03 0.49 0.03 0.00 -2.00 0.00 0.00 41.25 39.75 1f56 s ASN 35 CO 0.15 -1.00 -0.11 -0.69 -2.94 0.00 0.00 177.10 172.52 1f56 s VAL 36 N -4.03 1.40 -0.15 3.54 1.01 -0.16 -4.23 120.40 117.78 1f56 s VAL 36 Ca 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1f56 s VAL 36 Cb 0.02 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1f56 s VAL 36 CO 0.07 0.32 -0.15 -0.69 0.00 0.00 0.00 175.10 174.65 1f56 s VAL 37 N 1.53 2.72 -0.32 2.92 1.01 -0.10 -0.56 120.40 127.61 1f56 s VAL 37 Ca 0.03 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 1f56 s VAL 37 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1f56 s VAL 37 CO -0.09 0.52 0.81 0.00 0.00 0.00 0.00 175.10 176.33 1f56 s ALA 38 N 0.74 3.51 0.47 5.51 0.00 -0.79 -1.66 121.76 129.54 1f56 s ALA 38 Ca -0.06 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1f56 s ALA 38 Cb -0.15 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1f56 s ALA 38 CO 0.01 -1.27 0.03 1.33 0.00 0.00 0.00 175.76 175.86 1f56 n VAL 39 N 5.60 0.00 -3.00 0.00 0.24 -0.79 -3.91 118.33 116.47 1f56 n VAL 39 Ca 0.04 -2.32 -0.20 0.00 -2.04 0.00 0.00 64.34 59.82 1f56 n VAL 39 Cb 0.48 0.53 0.07 0.00 -1.47 0.00 0.00 33.84 33.45 1f56 n VAL 39 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1f56 s ASN 40 N -3.65 5.02 0.15 -1.34 4.22 -1.26 -4.12 114.94 113.95 1f56 s ASN 40 Ca 0.04 -0.82 -0.17 0.00 -2.14 0.00 0.00 52.86 49.76 1f56 s ASN 40 Cb 0.00 0.31 0.05 0.00 1.28 0.00 0.00 41.25 42.89 1f56 s ASN 40 CO 0.03 -1.41 1.74 1.23 -2.04 0.00 0.00 177.10 176.64 1f56 h GLY 41 N 0.10 0.39 1.33 0.45 0.00 -1.98 0.11 103.07 103.47 1f56 h GLY 41 Ca -0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1f56 h GLY 41 CO 0.40 -0.00 -0.02 3.21 0.00 0.00 0.00 176.54 180.13 1f56 h ARG 42 N 0.20 0.81 -0.49 4.80 3.08 -1.96 -0.72 114.38 120.11 1f56 h ARG 42 Ca 0.15 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1f56 h ARG 42 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1f56 h ARG 42 CO -0.19 0.83 0.00 0.78 -1.07 0.00 0.00 179.97 180.33 1f56 h GLY 43 N 0.98 0.87 0.95 0.04 0.00 -1.63 -2.30 103.07 101.98 1f56 h GLY 43 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1f56 h GLY 43 CO 0.02 0.54 0.05 -1.82 0.00 0.00 0.00 176.54 175.33 1f56 h TYR 44 N 0.75 0.77 0.00 5.60 3.20 -0.47 -0.20 116.97 126.62 1f56 h TYR 44 Ca 0.15 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1f56 h TYR 44 Cb 0.45 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1f56 h TYR 44 CO 0.02 0.75 -0.23 0.00 -1.64 0.00 0.00 178.16 177.06 1f56 h ALA 45 N 0.92 1.51 -0.22 1.82 0.00 -0.81 -3.04 119.26 119.44 1f56 h ALA 45 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1f56 h ALA 45 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1f56 h ALA 45 CO 0.01 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1f56 n SER 46 N -4.11 3.17 -4.01 0.00 3.41 -0.89 -4.99 113.62 106.21 1f56 n SER 46 Ca -0.02 -2.60 -0.30 0.00 -0.26 0.00 0.00 58.87 55.69 1f56 n SER 46 Cb 0.30 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1f56 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f56 s SER 48 N -3.72 0.38 0.16 0.00 1.04 -0.19 -4.99 113.70 106.38 1f56 s SER 48 Ca 0.43 0.27 -0.30 0.00 0.48 0.00 0.00 55.95 56.83 1f56 s SER 48 Cb -0.23 0.17 -0.07 0.00 0.10 0.00 0.00 66.02 65.99 1f56 s SER 48 CO 0.88 -0.20 1.14 0.00 0.98 0.00 0.00 173.24 176.04 1f56 s ALA 49 N 1.72 3.39 0.75 5.32 0.00 -1.26 -4.20 121.76 127.48 1f56 s ALA 49 Ca -0.03 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1f56 s ALA 49 Cb -0.12 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1f56 s ALA 49 CO -0.05 -0.28 1.08 -1.25 0.00 0.00 0.00 175.76 175.25 1f56 s PRO 50 N -0.12 2.46 0.25 0.00 0.04 -1.26 -4.93 135.00 131.44 1f56 s PRO 50 Ca 0.52 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 1f56 s PRO 50 Cb -0.30 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 1f56 s PRO 50 CO 0.34 -1.41 1.46 2.89 0.04 0.00 0.00 177.00 180.33 1f56 n ARG 51 N -3.32 2.20 -0.58 4.56 1.85 -1.26 -1.82 116.66 118.29 1f56 n ARG 51 Ca 0.07 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.71 1f56 n ARG 51 Cb 0.55 -2.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.48 1f56 n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1f56 n GLY 52 N 2.26 1.60 3.52 2.89 0.00 -1.26 -5.01 105.19 109.19 1f56 n GLY 52 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1f56 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f56 n ALA 53 N 0.40 -0.71 -2.62 4.61 0.00 -0.75 -4.93 120.51 116.51 1f56 n ALA 53 Ca 0.00 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 1f56 n ALA 53 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1f56 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f56 s ARG 54 N -2.01 4.32 -0.04 0.00 0.52 -1.25 -4.95 118.95 115.53 1f56 s ARG 54 Ca 0.67 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1f56 s ARG 54 Cb -0.52 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 1f56 s ARG 54 CO 0.55 0.26 -0.01 0.99 0.02 0.00 0.00 175.30 177.11 1f56 s THR 55 N 0.23 4.13 -0.04 0.02 2.01 -1.26 -1.88 115.64 118.85 1f56 s THR 55 Ca 0.30 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1f56 s THR 55 Cb -0.17 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 1f56 s THR 55 CO 0.14 0.49 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.10 1f56 s TYR 56 N -0.97 1.51 0.00 4.92 1.51 0.28 -4.99 117.35 119.61 1f56 s TYR 56 Ca 0.16 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1f56 s TYR 56 Cb -0.11 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1f56 s TYR 56 CO 0.06 -0.13 0.94 0.43 -1.11 0.00 0.00 175.55 175.74 1f56 n SER 57 N 3.12 0.00 0.03 2.29 7.64 -1.26 -0.99 113.62 124.45 1f56 n SER 57 Ca -0.18 -1.89 0.13 0.00 1.01 0.00 0.00 58.87 57.95 1f56 n SER 57 Cb 0.53 -0.18 0.40 0.00 -1.01 0.00 0.00 64.21 63.96 1f56 n SER 57 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1f56 n SER 58 N 0.00 0.42 0.00 6.43 3.41 -1.26 -4.43 113.62 118.19 1f56 n SER 58 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1f56 n SER 58 Cb 0.68 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1f56 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f56 n GLY 59 N 1.43 1.52 2.58 5.00 0.00 -1.26 -4.54 105.19 109.92 1f56 n GLY 59 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1f56 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f56 n GLN 60 N -2.00 0.95 -2.78 1.61 10.64 -1.07 -1.29 117.38 123.44 1f56 n GLN 60 Ca 0.00 -2.29 -0.42 0.00 -1.83 0.00 0.00 57.00 52.46 1f56 n GLN 60 Cb 0.00 -1.26 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 1f56 n GLN 60 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1f56 s ASP 61 N -1.58 7.15 -0.34 2.61 1.01 -0.85 -4.83 116.67 119.84 1f56 s ASP 61 Ca 0.28 1.41 -0.15 0.00 0.71 0.00 0.00 52.55 54.81 1f56 s ASP 61 Cb 0.29 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1f56 s ASP 61 CO -0.09 -0.38 0.33 -0.13 0.21 0.00 0.00 175.17 175.11 1f56 s ARG 62 N 1.80 3.53 -0.09 8.23 0.52 -1.26 -1.24 118.95 130.44 1f56 s ARG 62 Ca 0.45 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 1f56 s ARG 62 Cb -0.18 -3.81 0.01 0.00 0.52 0.00 0.00 34.95 31.49 1f56 s ARG 62 CO 0.18 -0.51 -0.13 0.42 0.02 0.00 0.00 175.30 175.28 1f56 s ILE 63 N 1.93 1.24 0.11 1.52 1.01 -0.38 -4.96 121.20 121.68 1f56 s ILE 63 Ca 0.10 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1f56 s ILE 63 Cb -0.17 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.08 1f56 s ILE 63 CO 0.11 0.39 0.73 -0.54 0.00 0.00 0.00 174.94 175.63 1f56 s LYS 64 N 0.91 4.48 0.20 2.79 1.02 -1.26 -0.53 119.74 127.35 1f56 s LYS 64 Ca -0.09 1.05 -0.24 0.00 0.02 0.00 0.00 55.97 56.70 1f56 s LYS 64 Cb -0.15 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.78 1f56 s LYS 64 CO 0.01 0.48 0.79 -0.51 -0.92 0.00 0.00 175.35 175.20 1f56 s LEU 65 N -0.75 4.51 0.20 3.17 1.43 0.05 -4.97 118.68 122.33 1f56 s LEU 65 Ca 0.35 1.64 0.05 0.00 -1.03 0.00 0.00 54.13 55.13 1f56 s LEU 65 Cb -0.22 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1f56 s LEU 65 CO 0.24 0.13 0.28 0.42 0.23 0.00 0.00 176.35 177.65 1f56 s THR 66 N -1.29 5.03 0.24 5.49 -4.23 -1.26 -1.59 115.64 118.03 1f56 s THR 66 Ca 0.39 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.61 1f56 s THR 66 Cb -0.21 -3.66 -0.13 0.00 1.34 0.00 0.00 72.50 69.84 1f56 s THR 66 CO 0.25 -0.23 1.54 -1.14 -0.54 0.00 0.00 174.62 174.51 1f56 n ARG 67 N -0.95 2.38 0.00 3.99 0.63 -1.26 -4.54 116.66 116.92 1f56 n ARG 67 Ca -0.08 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1f56 n ARG 67 Cb 0.56 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.87 1f56 n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1f56 n GLY 68 N 2.63 -0.50 3.75 5.14 0.00 0.11 -4.94 105.19 111.38 1f56 n GLY 68 Ca 0.12 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1f56 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f56 s GLN 69 N 0.00 4.76 -0.10 1.61 -1.52 -1.26 -0.40 119.66 122.75 1f56 s GLN 69 Ca 0.00 1.56 -0.01 0.00 -1.95 0.00 0.00 55.36 54.96 1f56 s GLN 69 Cb 0.00 -3.28 0.03 0.00 -0.22 0.00 0.00 33.01 29.54 1f56 s GLN 69 CO 0.00 0.35 -0.03 -0.80 -0.25 0.00 0.00 175.29 174.56 1f56 s ASN 70 N -0.77 1.99 -0.06 5.90 0.01 -0.23 -4.92 114.94 116.86 1f56 s ASN 70 Ca 0.44 -0.25 0.02 0.00 -0.71 0.00 0.00 52.86 52.35 1f56 s ASN 70 Cb -0.27 -0.65 -0.03 0.00 0.41 0.00 0.00 41.25 40.71 1f56 s ASN 70 CO 0.33 -0.17 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.34 1f56 s TYR 71 N 1.83 2.80 0.01 2.20 2.02 -1.26 -0.89 117.35 124.06 1f56 s TYR 71 Ca 0.04 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1f56 s TYR 71 Cb -0.13 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1f56 s TYR 71 CO -0.07 0.21 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.04 1f56 s PHE 72 N -0.65 0.13 0.12 2.71 0.40 -0.31 -1.89 117.98 118.48 1f56 s PHE 72 Ca 0.10 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1f56 s PHE 72 Cb -0.11 -0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.30 1f56 s PHE 72 CO 0.01 -0.07 0.11 0.96 0.70 0.00 0.00 175.22 176.93 1f56 s ILE 73 N -0.57 0.12 -0.15 0.64 -4.36 -0.66 -0.92 121.20 115.29 1f56 s ILE 73 Ca -0.06 -1.69 -0.07 0.00 -0.26 0.00 0.00 60.65 58.57 1f56 s ILE 73 Cb -0.04 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1f56 s ILE 73 CO -0.00 -0.55 0.10 0.00 0.24 0.00 0.00 174.94 174.72 1f56 n SER 75 N 2.82 1.96 -4.75 0.00 3.41 -1.26 -3.53 113.62 112.27 1f56 n SER 75 Ca -0.18 -1.47 -0.38 0.00 -0.26 0.00 0.00 58.87 56.58 1f56 n SER 75 Cb 0.53 0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.82 1f56 n SER 75 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1f56 s PHE 76 N -2.37 2.31 -0.10 7.33 0.08 -1.26 -4.85 117.98 119.12 1f56 s PHE 76 Ca 0.23 1.43 -0.38 0.00 0.12 0.00 0.00 56.93 58.32 1f56 s PHE 76 Cb 0.19 -3.71 -0.16 0.00 -0.57 0.00 0.00 43.02 38.78 1f56 s PHE 76 CO 0.50 -2.70 1.60 -2.30 -0.10 0.00 0.00 175.22 172.22 1f56 n PRO 77 N -1.21 1.31 0.00 0.24 -0.02 -1.26 -1.62 135.00 132.44 1f56 n PRO 77 Ca 0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1f56 n PRO 77 Cb 0.46 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1f56 n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f56 n GLY 78 N 3.55 2.78 0.15 -1.23 0.00 -1.26 -4.91 105.19 104.27 1f56 n GLY 78 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1f56 n GLY 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1f56 h HIS 79 N 0.00 0.68 -0.35 1.61 3.86 -1.61 -1.61 115.15 117.73 1f56 h HIS 79 Ca 0.00 -0.35 -0.05 0.00 -1.16 0.00 0.00 60.37 58.80 1f56 h HIS 79 Cb 0.00 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1f56 h HIS 79 CO 0.00 1.17 0.02 0.00 0.86 0.00 0.00 177.93 179.97 1f56 h GLY 81 N 0.42 0.00 0.21 0.00 0.00 -1.91 -0.12 103.07 101.67 1f56 h GLY 81 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1f56 h GLY 81 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1f56 n GLY 82 N -0.95 -0.66 0.00 4.60 0.00 -0.61 -4.87 105.19 102.71 1f56 n GLY 82 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1f56 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f56 n GLY 83 N 0.89 0.66 3.36 -0.02 0.00 -0.06 -4.81 105.19 105.20 1f56 n GLY 83 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1f56 n GLY 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1f56 n MET 84 N -1.30 2.98 -3.58 1.61 2.00 -0.18 -4.71 117.12 113.93 1f56 n MET 84 Ca 0.00 -3.03 -0.15 0.00 0.00 0.00 0.00 57.70 54.52 1f56 n MET 84 Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 33.22 29.71 1f56 n MET 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1f56 s LYS 85 N 4.12 0.91 -0.01 0.03 -2.85 -1.26 -1.94 119.74 118.75 1f56 s LYS 85 Ca 0.53 0.60 -0.12 0.00 -1.00 0.00 0.00 55.97 55.98 1f56 s LYS 85 Cb 0.06 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1f56 s LYS 85 CO 0.04 -0.21 0.24 0.96 0.10 0.00 0.00 175.35 176.48 1f56 s ILE 86 N -0.42 0.07 -0.15 3.79 -4.36 -0.09 -5.00 121.20 115.04 1f56 s ILE 86 Ca -0.05 -0.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 1f56 s ILE 86 Cb -0.03 -0.55 0.02 0.00 1.25 0.00 0.00 42.46 43.16 1f56 s ILE 86 CO 0.05 -0.31 -0.15 0.00 0.24 0.00 0.00 174.94 174.76 1f56 s ALA 87 N -1.38 1.92 -0.12 2.27 0.00 -1.26 -1.17 121.76 122.02 1f56 s ALA 87 Ca -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1f56 s ALA 87 Cb -0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1f56 s ALA 87 CO 0.03 -0.36 -0.13 0.42 0.00 0.00 0.00 175.76 175.72 1f56 s ILE 88 N 1.43 3.08 -0.44 0.00 -1.09 -0.07 -4.97 121.20 119.14 1f56 s ILE 88 Ca 0.04 -0.66 -0.16 0.00 -2.23 0.00 0.00 60.65 57.65 1f56 s ILE 88 Cb -0.13 -2.29 0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1f56 s ILE 88 CO -0.11 0.53 0.40 0.21 -1.23 0.00 0.00 174.94 174.74 1f56 s ASN 89 N 0.27 6.15 -0.42 3.58 3.04 -1.26 -1.06 114.94 125.24 1f56 s ASN 89 Ca -0.09 -1.00 -0.18 0.00 0.04 0.00 0.00 52.86 51.63 1f56 s ASN 89 Cb -0.15 -2.20 0.02 0.00 -1.54 0.00 0.00 41.25 37.38 1f56 s ASN 89 CO 0.05 -0.60 0.48 0.00 -3.04 0.00 0.00 177.10 173.99 1f56 s ALA 90 N 1.87 3.42 -2.00 1.71 0.00 0.47 -4.29 121.76 122.94 1f56 s ALA 90 Ca 0.07 -1.41 0.30 0.00 0.00 0.00 0.00 51.96 50.92 1f56 s ALA 90 Cb -0.20 -3.09 1.77 0.00 0.00 0.00 0.00 23.12 21.60 1f56 s ALA 90 CO 0.10 -1.58 2.10 1.63 0.00 0.00 0.00 175.76 178.01