#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f53 s ILE 1 N 0.00 5.24 0.08 2.02 -4.36 -1.26 -5.07 121.20 117.85 2f53 s ILE 1 Ca 0.00 0.62 0.03 0.00 -0.26 0.00 0.00 60.65 61.04 2f53 s ILE 1 Cb 0.00 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.04 2f53 s ILE 1 CO 0.00 0.50 0.09 -1.10 0.24 0.00 0.00 174.94 174.66 2f53 s GLN 2 N -0.36 2.91 -0.12 0.37 -0.21 -1.26 -4.87 119.66 116.13 2f53 s GLN 2 Ca 0.19 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 54.92 2f53 s GLN 2 Cb -0.14 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.13 2f53 s GLN 2 CO 0.08 0.57 -0.23 1.03 -2.12 0.00 0.00 175.29 174.61 2f53 s ARG 3 N -2.42 3.01 0.33 2.91 0.52 -0.27 -4.94 118.95 118.09 2f53 s ARG 3 Ca 0.30 -0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 54.39 2f53 s ARG 3 Cb -0.12 -2.36 -0.10 0.00 0.52 0.00 0.00 34.95 32.90 2f53 s ARG 3 CO 0.22 0.08 0.98 -0.08 0.02 0.00 0.00 175.30 176.52 2f53 s THR 4 N 0.59 4.05 0.37 0.02 -1.32 -1.26 -1.32 115.64 116.78 2f53 s THR 4 Ca -0.13 1.72 -0.27 0.00 -1.21 0.00 0.00 61.69 61.81 2f53 s THR 4 Cb -0.17 -3.96 -0.09 0.00 -1.51 0.00 0.00 72.50 66.77 2f53 s THR 4 CO 0.03 0.15 1.24 -2.16 -2.21 0.00 0.00 174.62 171.67 2f53 s PRO 5 N -2.04 4.16 0.16 7.08 0.04 -1.26 -4.40 135.00 138.73 2f53 s PRO 5 Ca 0.51 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 2f53 s PRO 5 Cb -0.21 -2.85 -0.07 0.00 0.04 0.00 0.00 34.50 31.42 2f53 s PRO 5 CO 0.26 -0.29 0.54 0.15 0.04 0.00 0.00 177.00 177.70 2f53 s LYS 6 N -2.07 3.93 -0.05 4.56 1.02 0.73 -4.93 119.74 122.93 2f53 s LYS 6 Ca 0.54 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.96 2f53 s LYS 6 Cb -0.35 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2f53 s LYS 6 CO 0.46 0.45 -0.04 0.42 -0.92 0.00 0.00 175.35 175.72 2f53 s ILE 7 N -1.53 0.54 -0.08 2.17 1.01 -1.26 -1.97 121.20 120.08 2f53 s ILE 7 Ca 0.39 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.98 2f53 s ILE 7 Cb -0.14 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.75 2f53 s ILE 7 CO 0.19 0.24 -0.14 0.00 0.00 0.00 0.00 174.94 175.24 2f53 s GLN 8 N 1.18 1.95 -0.22 2.79 -2.07 -0.01 -4.98 119.66 118.30 2f53 s GLN 8 Ca -0.07 -0.49 -0.05 0.00 -1.82 0.00 0.00 55.36 52.93 2f53 s GLN 8 Cb -0.14 -1.63 -0.02 0.00 -1.09 0.00 0.00 33.01 30.13 2f53 s GLN 8 CO -0.01 -0.00 0.00 0.08 -1.32 0.00 0.00 175.29 174.04 2f53 s VAL 9 N 0.79 3.84 0.28 3.63 1.01 -1.26 0.10 120.40 128.80 2f53 s VAL 9 Ca -0.12 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2f53 s VAL 9 Cb -0.16 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.51 2f53 s VAL 9 CO 0.02 0.41 0.79 -0.72 0.00 0.00 0.00 175.10 175.60 2f53 s TYR 10 N 1.28 -0.08 0.07 5.22 1.13 -0.32 -4.48 117.35 120.16 2f53 s TYR 10 Ca 0.04 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 55.30 2f53 s TYR 10 Cb -0.15 0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 2f53 s TYR 10 CO 0.01 -1.25 0.16 -1.54 -2.51 0.00 0.00 175.55 170.41 2f53 s SER 11 N -2.99 6.04 0.10 -0.18 1.04 -1.26 0.43 113.70 116.87 2f53 s SER 11 Ca 0.13 0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.53 2f53 s SER 11 Cb -0.05 -1.78 -0.07 0.00 0.10 0.00 0.00 66.02 64.22 2f53 s SER 11 CO 0.07 0.17 1.64 -0.09 0.98 0.00 0.00 173.24 176.01 2f53 h ARG 12 N 3.19 0.35 -6.23 4.02 2.43 -1.75 -3.44 114.38 112.94 2f53 h ARG 12 Ca -0.46 -0.06 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 2f53 h ARG 12 Cb 1.16 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.54 2f53 h ARG 12 CO 0.72 0.40 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.88 2f53 s HIS 13 N -5.53 2.56 0.17 2.20 3.76 -1.26 -5.05 115.29 112.14 2f53 s HIS 13 Ca -0.14 -0.26 -0.33 0.00 -0.15 0.00 0.00 55.06 54.18 2f53 s HIS 13 Cb 0.08 -1.14 -0.14 0.00 1.11 0.00 0.00 32.58 32.49 2f53 s HIS 13 CO 0.72 0.64 1.52 -2.30 -0.85 0.00 0.00 174.74 174.46 2f53 n PRO 14 N -0.72 2.04 -2.32 8.40 -0.02 -1.26 -4.91 135.00 136.22 2f53 n PRO 14 Ca -0.06 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 2f53 n PRO 14 Cb 0.59 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2f53 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f53 s ALA 15 N 0.63 3.47 -0.05 3.55 0.00 -1.26 -5.03 121.76 123.07 2f53 s ALA 15 Ca 0.77 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 2f53 s ALA 15 Cb -0.69 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2f53 s ALA 15 CO 0.41 -0.49 0.01 -1.21 0.00 0.00 0.00 175.76 174.49 2f53 s GLU 16 N 0.84 0.36 0.20 0.00 2.02 -1.26 -5.12 118.70 115.73 2f53 s GLU 16 Ca 0.60 0.15 -0.32 0.00 0.02 0.00 0.00 54.97 55.41 2f53 s GLU 16 Cb -0.33 -0.70 -0.14 0.00 0.10 0.00 0.00 34.13 33.07 2f53 s GLU 16 CO 0.31 -0.24 1.43 0.09 0.02 0.00 0.00 175.26 176.87 2f53 n ASN 17 N 4.80 2.66 0.00 -0.19 3.02 -1.26 -1.92 115.26 122.38 2f53 n ASN 17 Ca -0.13 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 2f53 n ASN 17 Cb 0.50 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 2f53 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f53 n GLY 18 N 2.53 1.35 3.44 7.41 0.00 -0.22 -5.00 105.19 114.69 2f53 n GLY 18 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2f53 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f53 s LYS 19 N -0.15 3.59 0.37 1.61 1.02 -0.81 -4.98 119.74 120.40 2f53 s LYS 19 Ca 0.00 -0.55 -0.28 0.00 0.02 0.00 0.00 55.97 55.17 2f53 s LYS 19 Cb 0.00 -2.97 -0.11 0.00 -0.52 0.00 0.00 37.83 34.23 2f53 s LYS 19 CO 0.00 0.09 1.44 0.45 -0.92 0.00 0.00 175.35 176.41 2f53 n SER 20 N 3.97 3.53 -0.89 2.83 2.88 -1.26 -4.23 113.62 120.45 2f53 n SER 20 Ca -0.17 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2f53 n SER 20 Cb 0.52 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 2f53 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2f53 n ASN 21 N 0.48 0.00 -4.05 -3.46 4.05 0.96 -5.00 115.26 108.24 2f53 n ASN 21 Ca 0.02 -0.89 -0.25 0.00 0.45 0.00 0.00 54.58 53.91 2f53 n ASN 21 Cb 0.38 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.23 2f53 n ASN 21 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2f53 s PHE 22 N -6.15 1.59 -0.19 1.20 0.40 -1.26 -1.23 117.98 112.33 2f53 s PHE 22 Ca 0.00 -0.59 -0.17 0.00 -0.60 0.00 0.00 56.93 55.57 2f53 s PHE 22 Cb 0.00 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2f53 s PHE 22 CO 0.00 -0.29 0.45 -1.17 0.70 0.00 0.00 175.22 174.92 2f53 s LEU 23 N 0.60 4.16 0.03 -0.37 2.96 0.26 -1.85 118.68 124.48 2f53 s LEU 23 Ca -0.15 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2f53 s LEU 23 Cb -0.16 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 2f53 s LEU 23 CO 0.04 -0.11 -0.11 0.20 -1.32 0.00 0.00 176.35 175.05 2f53 s ASN 24 N 1.06 4.34 -0.24 3.68 0.02 0.17 -1.45 114.94 122.52 2f53 s ASN 24 Ca 0.22 -0.27 -0.01 0.00 -1.02 0.00 0.00 52.86 51.78 2f53 s ASN 24 Cb -0.15 -0.90 0.07 0.00 0.02 0.00 0.00 41.25 40.29 2f53 s ASN 24 CO 0.09 0.26 0.02 0.00 0.02 0.00 0.00 177.10 177.49 2f53 s TYR 26 N 1.60 3.22 -0.18 0.00 5.04 0.12 -0.79 117.35 126.36 2f53 s TYR 26 Ca 0.00 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.17 2f53 s TYR 26 Cb -0.18 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.43 2f53 s TYR 26 CO -0.11 -0.56 0.06 0.14 -1.34 0.00 0.00 175.55 173.74 2f53 s VAL 27 N 1.86 4.76 0.29 3.14 -7.23 -0.34 -0.83 120.40 122.05 2f53 s VAL 27 Ca 0.08 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.13 2f53 s VAL 27 Cb -0.18 -3.14 -0.00 0.00 0.56 0.00 0.00 36.38 33.62 2f53 s VAL 27 CO 0.11 0.47 0.47 -0.94 -0.31 0.00 0.00 175.10 174.90 2f53 s SER 28 N 0.30 0.34 -1.68 4.85 1.04 -0.83 -0.80 113.70 116.91 2f53 s SER 28 Ca 0.03 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2f53 s SER 28 Cb -0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2f53 s SER 28 CO 0.00 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.61 2f53 n GLY 29 N -0.46 0.49 3.64 7.32 0.00 -0.93 -0.19 105.19 115.06 2f53 n GLY 29 Ca -0.01 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2f53 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2f53 s PHE 30 N -2.80 2.84 -0.26 1.61 -0.71 -1.22 -4.31 117.98 113.13 2f53 s PHE 30 Ca 0.00 -0.11 -0.18 0.00 -1.04 0.00 0.00 56.93 55.60 2f53 s PHE 30 Cb 0.00 -1.44 0.07 0.00 -1.21 0.00 0.00 43.02 40.44 2f53 s PHE 30 CO 0.00 0.47 0.65 -1.58 -1.34 0.00 0.00 175.22 173.42 2f53 s HIS 31 N -1.42 -0.89 1.13 3.49 2.46 -0.43 -1.01 115.29 118.63 2f53 s HIS 31 Ca 0.25 1.91 -0.17 0.00 0.47 0.00 0.00 55.06 57.52 2f53 s HIS 31 Cb -0.11 0.46 0.25 0.00 -0.13 0.00 0.00 32.58 33.05 2f53 s HIS 31 CO 0.17 -0.44 1.10 -1.25 -2.47 0.00 0.00 174.74 171.84 2f53 s PRO 32 N 1.15 -0.68 0.41 2.88 0.04 -1.26 -1.11 135.00 136.43 2f53 s PRO 32 Ca -0.06 0.15 0.19 0.00 0.04 0.00 0.00 61.00 61.31 2f53 s PRO 32 Cb -0.05 -1.64 0.91 0.00 0.04 0.00 0.00 34.50 33.75 2f53 s PRO 32 CO -0.12 -3.39 1.86 0.66 0.04 0.00 0.00 177.00 176.05 2f53 h SER 33 N -2.36 0.00 -2.75 6.66 4.64 -2.00 -3.45 113.55 114.30 2f53 h SER 33 Ca -0.49 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 2f53 h SER 33 Cb 1.31 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.43 2f53 h SER 33 CO 0.43 0.30 0.95 -1.81 -0.87 0.00 0.00 176.83 175.83 2f53 s ASP 34 N -6.57 6.62 -0.01 4.97 1.11 -1.26 -4.98 116.67 116.55 2f53 s ASP 34 Ca -0.02 2.49 -0.21 0.00 0.18 0.00 0.00 52.55 55.00 2f53 s ASP 34 Cb 0.13 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.59 2f53 s ASP 34 CO 0.68 -0.85 0.46 -0.51 1.18 0.00 0.00 175.17 176.12 2f53 s ILE 35 N 2.18 0.04 -0.13 0.77 2.07 -1.26 -4.62 121.20 120.24 2f53 s ILE 35 Ca 0.72 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.67 2f53 s ILE 35 Cb -0.40 -0.83 0.01 0.00 0.13 0.00 0.00 42.46 41.37 2f53 s ILE 35 CO 0.32 -0.17 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.28 2f53 s GLU 36 N -1.59 2.76 -0.08 3.50 2.12 -0.61 -5.00 118.70 119.80 2f53 s GLU 36 Ca -0.11 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.47 2f53 s GLU 36 Cb -0.02 -2.26 0.02 0.00 0.26 0.00 0.00 34.13 32.13 2f53 s GLU 36 CO 0.04 -0.03 -0.09 0.08 -0.54 0.00 0.00 175.26 174.73 2f53 s VAL 37 N 0.86 0.97 0.08 3.70 1.01 -1.26 -1.07 120.40 124.69 2f53 s VAL 37 Ca -0.07 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.68 2f53 s VAL 37 Cb -0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2f53 s VAL 37 CO -0.02 0.34 -0.24 -1.81 0.00 0.00 0.00 175.10 173.37 2f53 s ASP 38 N 1.16 2.88 -0.16 3.32 1.01 0.32 -4.98 116.67 120.22 2f53 s ASP 38 Ca -0.06 -0.64 -0.06 0.00 0.71 0.00 0.00 52.55 52.51 2f53 s ASP 38 Cb -0.14 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 2f53 s ASP 38 CO -0.02 0.16 0.03 -0.76 0.21 0.00 0.00 175.17 174.80 2f53 s LEU 39 N -1.61 3.67 0.03 1.23 1.43 -1.26 -0.03 118.68 122.15 2f53 s LEU 39 Ca 0.10 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2f53 s LEU 39 Cb -0.10 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2f53 s LEU 39 CO 0.04 0.21 -0.05 -0.76 0.23 0.00 0.00 176.35 176.02 2f53 s LEU 40 N 0.12 3.24 -0.24 1.79 1.02 0.55 0.09 118.68 125.25 2f53 s LEU 40 Ca 0.03 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.02 2f53 s LEU 40 Cb -0.13 -1.90 0.07 0.00 0.02 0.00 0.00 46.19 44.25 2f53 s LEU 40 CO 0.01 0.25 -0.02 -0.75 0.02 0.00 0.00 176.35 175.87 2f53 s LYS 41 N -1.69 1.35 -1.45 1.70 2.20 0.29 -2.14 119.74 120.00 2f53 s LYS 41 Ca 0.19 -0.96 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 2f53 s LYS 41 Cb -0.11 -2.48 0.05 0.00 -1.51 0.00 0.00 37.83 33.77 2f53 s LYS 41 CO 0.10 -0.67 1.04 0.09 -0.36 0.00 0.00 175.35 175.56 2f53 n ASN 42 N 4.73 -5.09 0.00 1.43 3.02 0.15 -1.37 115.26 118.13 2f53 n ASN 42 Ca -0.09 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2f53 n ASN 42 Cb 0.44 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 2f53 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f53 n GLY 43 N -1.79 1.54 3.61 7.41 0.00 -1.26 -5.01 105.19 109.69 2f53 n GLY 43 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2f53 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f53 s GLU 44 N -0.05 3.60 0.24 1.61 2.02 -0.47 -5.02 118.70 120.64 2f53 s GLU 44 Ca 0.00 -0.41 -0.31 0.00 0.02 0.00 0.00 54.97 54.27 2f53 s GLU 44 Cb 0.00 -3.01 -0.12 0.00 0.10 0.00 0.00 34.13 31.10 2f53 s GLU 44 CO 0.00 0.39 1.61 -2.13 0.02 0.00 0.00 175.26 175.15 2f53 n ARG 45 N 3.11 2.57 -3.10 1.61 0.63 -1.26 -0.55 116.66 119.68 2f53 n ARG 45 Ca -0.17 0.92 -0.40 0.00 -0.92 0.00 0.00 57.85 57.28 2f53 n ARG 45 Cb 0.53 -2.70 -0.05 0.00 0.45 0.00 0.00 32.46 30.68 2f53 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2f53 s ILE 46 N 0.46 5.04 0.02 5.15 1.01 0.11 -4.88 121.20 128.12 2f53 s ILE 46 Ca 0.70 1.29 -0.26 0.00 0.00 0.00 0.00 60.65 62.38 2f53 s ILE 46 Cb -0.54 -3.98 -0.17 0.00 0.01 0.00 0.00 42.46 37.78 2f53 s ILE 46 CO 0.42 0.19 1.36 -0.33 0.00 0.00 0.00 174.94 176.58 2f53 h GLU 47 N 7.08 -0.37 -5.41 2.79 5.08 -1.94 -3.41 114.58 118.42 2f53 h GLU 47 Ca -0.36 0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.38 2f53 h GLU 47 Cb 1.17 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.35 2f53 h GLU 47 CO 0.77 -0.08 0.80 0.21 -1.00 0.00 0.00 179.01 179.71 2f53 s LYS 48 N -5.02 3.37 -0.05 2.33 2.20 -1.26 -4.98 119.74 116.33 2f53 s LYS 48 Ca -0.15 -1.21 0.02 0.00 -0.36 0.00 0.00 55.97 54.28 2f53 s LYS 48 Cb 0.03 -4.64 0.01 0.00 -1.51 0.00 0.00 37.83 31.72 2f53 s LYS 48 CO 0.58 -1.87 -0.09 0.08 -0.36 0.00 0.00 175.35 173.70 2f53 s VAL 49 N 3.71 0.86 0.41 4.02 1.01 -1.26 -4.67 120.40 124.49 2f53 s VAL 49 Ca 0.30 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.01 2f53 s VAL 49 Cb -0.10 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2f53 s VAL 49 CO 0.00 0.28 0.22 -1.61 0.00 0.00 0.00 175.10 174.00 2f53 s GLU 50 N 0.56 2.29 0.16 2.72 2.02 -0.73 -4.92 118.70 120.80 2f53 s GLU 50 Ca -0.10 -1.77 -0.13 0.00 0.02 0.00 0.00 54.97 52.99 2f53 s GLU 50 Cb -0.13 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.04 2f53 s GLU 50 CO 0.02 -0.13 0.36 -3.38 0.02 0.00 0.00 175.26 172.15 2f53 s HIS 51 N -2.57 0.11 0.85 1.61 -3.43 -1.26 -1.32 115.29 109.28 2f53 s HIS 51 Ca 0.42 -0.47 -0.12 0.00 -0.80 0.00 0.00 55.06 54.10 2f53 s HIS 51 Cb 0.02 0.13 0.11 0.00 -1.43 0.00 0.00 32.58 31.41 2f53 s HIS 51 CO 0.24 -0.75 1.15 -1.54 -2.00 0.00 0.00 174.74 171.84 2f53 s SER 52 N -2.90 4.05 0.20 7.38 1.04 -0.71 -4.99 113.70 117.77 2f53 s SER 52 Ca 0.11 0.89 -0.30 0.00 0.48 0.00 0.00 55.95 57.13 2f53 s SER 52 Cb 0.02 -1.44 -0.08 0.00 0.10 0.00 0.00 66.02 64.62 2f53 s SER 52 CO -0.04 -2.20 1.03 -1.81 0.98 0.00 0.00 173.24 171.19 2f53 s ASP 53 N -4.29 7.42 0.06 7.02 1.01 -1.26 -4.80 116.67 121.83 2f53 s ASP 53 Ca 0.63 2.02 -0.32 0.00 0.71 0.00 0.00 52.55 55.59 2f53 s ASP 53 Cb -0.13 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.09 2f53 s ASP 53 CO 0.51 -0.07 1.86 -0.11 0.21 0.00 0.00 175.17 177.57 2f53 n LEU 54 N 2.02 3.85 -4.28 1.23 7.94 -1.26 -4.93 117.00 121.56 2f53 n LEU 54 Ca 0.01 0.97 -0.16 0.00 -1.11 0.00 0.00 56.01 55.71 2f53 n LEU 54 Cb 0.47 -1.49 -0.09 0.00 0.53 0.00 0.00 43.42 42.83 2f53 n LEU 54 CO 0.52 0.09 -0.21 -0.94 -1.11 0.00 0.00 177.39 175.74 2f53 s SER 55 N 3.26 1.09 0.08 1.96 1.04 -1.23 -5.04 113.70 114.86 2f53 s SER 55 Ca 0.86 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.74 2f53 s SER 55 Cb -0.54 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 2f53 s SER 55 CO 0.42 -0.88 0.04 0.72 0.98 0.00 0.00 173.24 174.53 2f53 s PHE 56 N -3.77 0.48 0.79 5.02 -0.12 -1.26 -1.38 117.98 117.74 2f53 s PHE 56 Ca 0.38 -0.97 -0.04 0.00 -0.05 0.00 0.00 56.93 56.25 2f53 s PHE 56 Cb 0.06 -0.31 0.16 0.00 -0.63 0.00 0.00 43.02 42.29 2f53 s PHE 56 CO 0.17 -0.45 1.09 -1.12 -0.05 0.00 0.00 175.22 174.85 2f53 s SER 57 N -2.93 3.93 0.30 1.98 0.01 0.66 -4.92 113.70 112.74 2f53 s SER 57 Ca 0.09 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.02 2f53 s SER 57 Cb 0.07 0.13 0.57 0.00 0.21 0.00 0.00 66.02 67.00 2f53 s SER 57 CO -0.08 -2.16 1.87 0.50 0.41 0.00 0.00 173.24 173.78 2f53 h LYS 58 N -0.83 0.95 -0.05 12.44 3.64 -2.03 0.81 116.57 131.51 2f53 h LYS 58 Ca -0.37 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2f53 h LYS 58 Cb 1.25 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2f53 h LYS 58 CO 0.37 0.63 0.00 -0.40 -2.27 0.00 0.00 179.45 177.77 2f53 n ASP 59 N -4.56 0.32 0.00 4.20 5.75 -1.26 -4.89 116.55 116.11 2f53 n ASP 59 Ca 0.17 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 2f53 n ASP 59 Cb 0.31 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2f53 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2f53 n TRP 60 N -0.39 0.00 -2.44 2.11 7.02 0.28 -5.02 117.44 119.00 2f53 n TRP 60 Ca 0.05 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.16 2f53 n TRP 60 Cb 0.07 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.93 2f53 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2f53 s SER 61 N -3.51 6.62 0.44 -0.99 1.04 -1.26 -4.63 113.70 111.41 2f53 s SER 61 Ca 0.00 2.16 -0.12 0.00 0.48 0.00 0.00 55.95 58.47 2f53 s SER 61 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 2f53 s SER 61 CO 0.00 -0.60 0.83 -0.36 0.98 0.00 0.00 173.24 174.10 2f53 s PHE 62 N -1.57 3.48 -0.00 5.02 0.08 -0.18 -0.24 117.98 124.57 2f53 s PHE 62 Ca 0.58 1.14 -0.02 0.00 0.12 0.00 0.00 56.93 58.75 2f53 s PHE 62 Cb -0.25 -2.53 -0.00 0.00 -0.57 0.00 0.00 43.02 39.67 2f53 s PHE 62 CO 0.32 -0.20 0.04 1.52 -0.10 0.00 0.00 175.22 176.80 2f53 s TYR 63 N -2.48 0.07 -0.07 0.36 -0.85 -0.48 -2.18 117.35 111.72 2f53 s TYR 63 Ca 0.53 -0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.80 2f53 s TYR 63 Cb -0.10 -0.07 0.03 0.00 0.38 0.00 0.00 41.96 42.20 2f53 s TYR 63 CO 0.33 -0.14 0.33 -0.51 -1.52 0.00 0.00 175.55 174.04 2f53 s LEU 64 N -0.78 0.75 -0.23 -3.49 1.43 0.02 -3.48 118.68 112.89 2f53 s LEU 64 Ca -0.09 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2f53 s LEU 64 Cb -0.05 1.25 0.01 0.00 0.03 0.00 0.00 46.19 47.43 2f53 s LEU 64 CO 0.00 -0.31 -0.05 -0.22 0.23 0.00 0.00 176.35 176.00 2f53 s LEU 65 N -0.67 3.01 -0.13 1.79 2.96 -1.26 -1.20 118.68 123.18 2f53 s LEU 65 Ca -0.08 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.15 2f53 s LEU 65 Cb -0.04 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2f53 s LEU 65 CO 0.03 -0.07 0.08 -0.31 -1.32 0.00 0.00 176.35 174.76 2f53 s TYR 66 N 1.41 3.38 0.03 5.38 1.51 0.03 -1.74 117.35 127.35 2f53 s TYR 66 Ca 0.03 0.32 -0.10 0.00 -1.01 0.00 0.00 57.07 56.31 2f53 s TYR 66 Cb -0.15 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2f53 s TYR 66 CO -0.04 0.50 0.22 1.52 -1.11 0.00 0.00 175.55 176.64 2f53 s TYR 67 N -0.58 0.00 0.03 2.71 1.13 -0.44 -0.73 117.35 119.48 2f53 s TYR 67 Ca 0.11 -0.16 -0.23 0.00 -1.41 0.00 0.00 57.07 55.38 2f53 s TYR 67 Cb -0.12 0.00 0.05 0.00 -1.10 0.00 0.00 41.96 40.80 2f53 s TYR 67 CO 0.02 -0.42 0.54 -0.08 -2.51 0.00 0.00 175.55 173.10 2f53 s THR 68 N -2.25 0.02 0.21 -3.49 -1.32 -0.53 -1.77 115.64 106.52 2f53 s THR 68 Ca -0.07 -0.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.90 2f53 s THR 68 Cb -0.02 -0.96 -0.08 0.00 -1.51 0.00 0.00 72.50 69.92 2f53 s THR 68 CO -0.02 -0.11 1.16 -1.61 -2.21 0.00 0.00 174.62 171.83 2f53 s GLU 69 N -2.24 4.54 0.09 7.08 2.02 -1.26 0.92 118.70 129.85 2f53 s GLU 69 Ca -0.06 1.85 -0.15 0.00 0.02 0.00 0.00 54.97 56.62 2f53 s GLU 69 Cb -0.01 -3.23 0.03 0.00 0.10 0.00 0.00 34.13 31.02 2f53 s GLU 69 CO 0.00 0.00 0.36 -0.59 0.02 0.00 0.00 175.26 175.06 2f53 s PHE 70 N -0.39 -0.16 -0.32 1.61 -0.71 -0.37 -4.79 117.98 112.85 2f53 s PHE 70 Ca 0.50 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.33 2f53 s PHE 70 Cb -0.32 0.19 0.09 0.00 -1.21 0.00 0.00 43.02 41.77 2f53 s PHE 70 CO 0.38 -0.63 0.02 0.99 -1.34 0.00 0.00 175.22 174.65 2f53 s THR 71 N -3.38 2.14 0.41 -4.49 2.01 -1.26 -0.03 115.64 111.04 2f53 s THR 71 Ca 0.01 -2.13 -0.26 0.00 0.31 0.00 0.00 61.69 59.62 2f53 s THR 71 Cb 0.01 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 2f53 s THR 71 CO -0.09 -0.49 1.36 -2.16 -0.69 0.00 0.00 174.62 172.55 2f53 s PRO 72 N 1.00 3.91 0.31 4.92 0.04 -1.26 -4.82 135.00 139.10 2f53 s PRO 72 Ca 0.07 2.27 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2f53 s PRO 72 Cb -0.19 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 2f53 s PRO 72 CO -0.09 -0.58 0.11 0.95 0.04 0.00 0.00 177.00 177.44 2f53 s THR 73 N -1.22 0.64 0.30 1.26 -4.23 -1.26 -1.06 115.64 110.06 2f53 s THR 73 Ca 0.57 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2f53 s THR 73 Cb -0.41 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 70.96 2f53 s THR 73 CO 0.53 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.31 2f53 h GLU 74 N 2.18 0.58 0.00 3.99 4.81 -1.98 -3.37 114.58 120.78 2f53 h GLU 74 Ca -0.37 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2f53 h GLU 74 Cb 1.25 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2f53 h GLU 74 CO 0.60 0.67 -0.95 1.63 -0.73 0.00 0.00 179.01 180.23 2f53 n LYS 75 N -4.21 2.05 -2.13 1.92 5.02 -1.26 -4.99 118.16 114.56 2f53 n LYS 75 Ca 0.01 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2f53 n LYS 75 Cb 0.32 -1.07 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 2f53 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2f53 s ASP 76 N -2.46 6.79 -0.25 4.39 -0.00 -1.26 -5.00 116.67 118.88 2f53 s ASP 76 Ca -0.00 2.38 -0.12 0.00 -0.00 0.00 0.00 52.55 54.80 2f53 s ASP 76 Cb 0.06 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.34 2f53 s ASP 76 CO 0.36 -0.68 0.23 -1.61 -0.00 0.00 0.00 175.17 173.46 2f53 s GLU 77 N 1.07 4.04 0.08 8.23 2.02 -1.26 -4.74 118.70 128.14 2f53 s GLU 77 Ca 0.65 -0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.50 2f53 s GLU 77 Cb -0.38 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2f53 s GLU 77 CO 0.31 -0.07 -0.01 0.71 0.02 0.00 0.00 175.26 176.21 2f53 s TYR 78 N 1.45 2.97 0.21 1.61 2.02 -1.26 0.32 117.35 124.67 2f53 s TYR 78 Ca 0.10 -0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 56.54 2f53 s TYR 78 Cb -0.15 -1.54 0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2f53 s TYR 78 CO 0.08 0.47 0.78 0.00 -1.57 0.00 0.00 175.55 175.30 2f53 s ALA 79 N -1.27 -1.43 -0.11 3.71 0.00 -0.91 -0.67 121.76 121.07 2f53 s ALA 79 Ca 0.25 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2f53 s ALA 79 Cb -0.12 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2f53 s ALA 79 CO 0.17 -0.98 -0.22 0.00 0.00 0.00 0.00 175.76 174.73 2f53 s ARG 81 N 0.60 3.59 -0.03 0.00 3.52 0.96 -1.29 118.95 126.29 2f53 s ARG 81 Ca -0.13 -0.53 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 2f53 s ARG 81 Cb -0.17 -2.88 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 2f53 s ARG 81 CO 0.04 0.28 -0.09 0.08 -0.81 0.00 0.00 175.30 174.80 2f53 s VAL 82 N 0.26 0.80 0.02 7.11 1.01 -0.04 -0.52 120.40 129.03 2f53 s VAL 82 Ca -0.03 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2f53 s VAL 82 Cb -0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2f53 s VAL 82 CO 0.03 0.26 -0.21 0.21 0.00 0.00 0.00 175.10 175.39 2f53 s ASN 83 N 0.37 2.46 0.19 3.32 3.04 -0.24 -0.68 114.94 123.41 2f53 s ASN 83 Ca -0.06 -0.46 -0.17 0.00 0.04 0.00 0.00 52.86 52.21 2f53 s ASN 83 Cb -0.11 -0.23 0.03 0.00 -1.54 0.00 0.00 41.25 39.40 2f53 s ASN 83 CO 0.01 0.20 0.52 -2.28 -3.04 0.00 0.00 177.10 172.51 2f53 s HIS 84 N -0.66 -0.12 0.48 0.43 2.46 -1.26 -1.57 115.29 115.06 2f53 s HIS 84 Ca 0.08 -0.22 0.14 0.00 0.47 0.00 0.00 55.06 55.53 2f53 s HIS 84 Cb -0.08 0.39 1.13 0.00 -0.13 0.00 0.00 32.58 33.89 2f53 s HIS 84 CO 0.01 -0.92 2.09 -0.39 -2.47 0.00 0.00 174.74 173.06 2f53 h VAL 85 N 2.20 1.06 0.00 0.89 -1.51 -1.94 -1.88 116.25 115.05 2f53 h VAL 85 Ca -0.29 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2f53 h VAL 85 Cb 1.26 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2f53 h VAL 85 CO 0.37 0.07 0.00 0.35 -1.23 0.00 0.00 177.57 177.13 2f53 n THR 86 N -4.46 0.68 -4.36 7.19 -2.24 -1.26 -4.75 114.28 105.09 2f53 n THR 86 Ca -0.02 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 2f53 n THR 86 Cb 0.14 -0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 2f53 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2f53 s LEU 87 N -3.21 3.49 0.02 3.22 1.43 -0.71 -4.99 118.68 117.92 2f53 s LEU 87 Ca 0.09 0.05 0.23 0.00 -1.03 0.00 0.00 54.13 53.47 2f53 s LEU 87 Cb 0.12 -1.82 0.21 0.00 0.03 0.00 0.00 46.19 44.73 2f53 s LEU 87 CO 0.37 0.30 1.19 -1.54 0.23 0.00 0.00 176.35 176.89 2f53 n SER 88 N 2.70 0.66 -3.88 2.29 3.41 -1.26 -4.66 113.62 112.87 2f53 n SER 88 Ca -0.18 -0.41 -0.10 0.00 -0.26 0.00 0.00 58.87 57.91 2f53 n SER 88 Cb 0.53 0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 64.95 2f53 n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2f53 s GLN 89 N -3.05 0.60 0.44 4.33 -0.21 -1.26 -5.14 119.66 115.36 2f53 s GLN 89 Ca 0.08 -0.60 -0.25 0.00 0.02 0.00 0.00 55.36 54.61 2f53 s GLN 89 Cb 0.16 0.24 -0.08 0.00 1.00 0.00 0.00 33.01 34.34 2f53 s GLN 89 CO 0.77 -0.16 1.29 -2.14 -2.12 0.00 0.00 175.29 172.93 2f53 s PRO 90 N -2.23 3.81 -0.27 2.91 0.02 -1.26 -4.92 135.00 133.05 2f53 s PRO 90 Ca -0.08 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 2f53 s PRO 90 Cb -0.03 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.82 2f53 s PRO 90 CO -0.02 -0.61 0.17 0.00 -0.33 0.00 0.00 177.00 176.20 2f53 s ILE 92 N 1.60 4.23 -0.17 0.00 -1.09 -1.26 -0.86 121.20 123.65 2f53 s ILE 92 Ca 0.07 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.29 2f53 s ILE 92 Cb -0.15 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 2f53 s ILE 92 CO 0.09 0.39 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.31 2f53 s VAL 93 N 1.24 2.22 0.26 2.92 1.01 -0.41 -4.98 120.40 122.66 2f53 s VAL 93 Ca 0.04 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 2f53 s VAL 93 Cb -0.15 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 2f53 s VAL 93 CO 0.03 0.53 0.81 -0.54 0.00 0.00 0.00 175.10 175.93 2f53 s LYS 94 N 1.09 4.38 0.07 2.72 1.02 -1.26 -0.73 119.74 127.03 2f53 s LYS 94 Ca -0.00 1.04 -0.31 0.00 0.02 0.00 0.00 55.97 56.73 2f53 s LYS 94 Cb -0.14 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 2f53 s LYS 94 CO -0.07 0.35 1.28 -0.46 -0.92 0.00 0.00 175.35 175.53 2f53 s TRP 95 N -1.56 3.32 -0.29 3.18 -0.00 0.16 -4.90 118.94 118.86 2f53 s TRP 95 Ca 0.46 1.14 0.02 0.00 -0.00 0.00 0.00 56.10 57.71 2f53 s TRP 95 Cb -0.17 -3.53 0.08 0.00 -0.00 0.00 0.00 33.47 29.84 2f53 s TRP 95 CO 0.22 -1.77 -0.00 0.34 -0.00 0.00 0.00 176.95 175.74 2f53 s ASP 96 N 1.14 4.27 0.30 5.86 -1.08 -1.26 -4.80 116.67 121.10 2f53 s ASP 96 Ca 0.61 -1.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 2f53 s ASP 96 Cb -0.32 -1.33 0.76 0.00 -1.46 0.00 0.00 42.92 40.57 2f53 s ASP 96 CO 0.29 -0.31 1.34 -2.11 0.52 0.00 0.00 175.17 174.90 2f53 n ARG 97 N 4.53 0.09 -0.09 4.34 1.85 -1.26 -0.27 116.66 125.85 2f53 n ARG 97 Ca -0.05 0.57 0.11 0.00 -1.00 0.00 0.00 57.85 57.48 2f53 n ARG 97 Cb 0.43 -2.04 0.35 0.00 -1.05 0.00 0.00 32.46 30.15 2f53 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2f53 n ASP 98 N -2.04 2.02 0.00 2.89 10.43 -1.26 -4.92 116.55 123.67 2f53 n ASP 98 Ca -0.01 -1.75 0.00 0.00 2.57 0.00 0.00 54.79 55.60 2f53 n ASP 98 Cb 0.25 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.10 2f53 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36