#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a54 n GLY 0 N 0.00 1.91 3.75 -1.39 0.00 -1.26 -4.69 105.19 103.51 2a54 n GLY 0 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2a54 n GLY 0 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a54 s SER 1 N 0.00 -0.28 0.62 1.61 1.04 -1.26 -5.05 113.70 110.38 2a54 s SER 1 Ca 0.00 -0.56 0.33 0.00 0.48 0.00 0.00 55.95 56.20 2a54 s SER 1 Cb 0.00 0.69 1.88 0.00 0.10 0.00 0.00 66.02 68.69 2a54 s SER 1 CO 0.00 -1.26 2.19 0.00 0.98 0.00 0.00 173.24 175.15 2a54 h ALA 2 N 2.05 1.50 0.00 5.32 0.00 -1.97 -2.35 119.26 123.80 2a54 h ALA 2 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a54 h ALA 2 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2a54 h ALA 2 CO 0.27 -0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.80 2a54 n SER 3 N -3.56 0.53 -0.79 0.00 7.64 -1.26 -1.84 113.62 114.34 2a54 n SER 3 Ca -0.01 0.74 0.09 0.00 1.01 0.00 0.00 58.87 60.70 2a54 n SER 3 Cb 0.20 -0.81 0.12 0.00 -1.01 0.00 0.00 64.21 62.71 2a54 n SER 3 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2a54 n PHE 4 N -2.20 0.19 -3.78 1.43 3.01 -0.88 -4.96 117.46 110.27 2a54 n PHE 4 Ca -0.01 -0.13 -0.34 0.00 1.01 0.00 0.00 57.45 57.98 2a54 n PHE 4 Cb 0.05 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 2a54 n PHE 4 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2a54 s LEU 5 N -1.36 4.37 0.12 4.37 1.43 -0.77 -5.06 118.68 121.78 2a54 s LEU 5 Ca 0.25 0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 53.57 2a54 s LEU 5 Cb 0.16 -2.67 -0.10 0.00 0.03 0.00 0.00 46.19 43.61 2a54 s LEU 5 CO 0.23 0.25 1.71 -0.54 0.23 0.00 0.00 176.35 178.23 2a54 s LYS 6 N -1.80 4.17 -0.03 1.70 1.02 -1.26 -4.92 119.74 118.63 2a54 s LYS 6 Ca 0.28 2.46 -0.23 0.00 0.02 0.00 0.00 55.97 58.50 2a54 s LYS 6 Cb -0.13 -3.48 -0.23 0.00 -0.52 0.00 0.00 37.83 33.47 2a54 s LYS 6 CO 0.16 -0.76 1.07 -0.22 -0.92 0.00 0.00 175.35 174.69 2a54 h LYS 7 N 8.04 0.26 -5.35 1.68 3.64 -1.95 -3.43 116.57 119.47 2a54 h LYS 7 Ca -0.44 -0.27 -0.40 0.00 -1.27 0.00 0.00 60.65 58.27 2a54 h LYS 7 Cb 1.21 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.92 2a54 h LYS 7 CO 0.94 0.97 -0.75 0.95 -2.27 0.00 0.00 179.45 179.29 2a54 s THR 8 N -3.24 1.30 -0.02 1.00 -4.23 -1.26 -3.98 115.64 105.21 2a54 s THR 8 Ca -0.15 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2a54 s THR 8 Cb 0.02 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.31 2a54 s THR 8 CO 0.77 -0.47 0.02 -0.32 -0.54 0.00 0.00 174.62 174.08 2a54 s MET 9 N -2.85 0.01 0.64 3.99 1.75 -0.21 -4.96 119.30 117.68 2a54 s MET 9 Ca 0.10 0.15 -0.09 0.00 -1.25 0.00 0.00 55.69 54.61 2a54 s MET 9 Cb -0.04 -0.26 0.01 0.00 2.84 0.00 0.00 34.83 37.38 2a54 s MET 9 CO 0.03 -0.15 1.00 -1.25 -0.65 0.00 0.00 175.02 174.00 2a54 s PRO 10 N 0.96 2.94 0.09 4.11 0.04 -1.26 -1.75 135.00 140.12 2a54 s PRO 10 Ca -0.08 0.26 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 2a54 s PRO 10 Cb -0.12 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2a54 s PRO 10 CO -0.03 -0.84 0.22 -0.59 0.04 0.00 0.00 177.00 175.80 2a54 s PHE 11 N -3.17 0.09 0.03 0.56 -0.12 0.07 -4.94 117.98 110.51 2a54 s PHE 11 Ca 0.56 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.98 2a54 s PHE 11 Cb -0.11 -0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.25 2a54 s PHE 11 CO 0.49 -0.55 -0.08 0.15 -0.05 0.00 0.00 175.22 175.17 2a54 s LYS 12 N -3.70 0.58 0.08 1.99 1.02 -1.26 -1.24 119.74 117.20 2a54 s LYS 12 Ca 0.04 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.44 2a54 s LYS 12 Cb 0.04 -0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 36.87 2a54 s LYS 12 CO -0.10 0.10 -0.09 -0.08 -0.92 0.00 0.00 175.35 174.26 2a54 s THR 13 N -0.96 0.76 -0.04 2.17 -1.32 -0.26 -4.98 115.64 111.01 2a54 s THR 13 Ca -0.05 -1.54 0.01 0.00 -1.21 0.00 0.00 61.69 58.90 2a54 s THR 13 Cb -0.08 -1.21 0.02 0.00 -1.51 0.00 0.00 72.50 69.72 2a54 s THR 13 CO 0.00 -0.58 -0.05 0.42 -2.21 0.00 0.00 174.62 172.20 2a54 s THR 14 N -2.40 0.57 -0.07 5.08 -4.23 -1.26 -1.58 115.64 111.75 2a54 s THR 14 Ca 0.02 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 2a54 s THR 14 Cb -0.03 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.24 2a54 s THR 14 CO -0.01 0.23 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.54 2a54 s ILE 15 N 0.78 1.16 -0.01 2.99 1.01 -0.08 -4.99 121.20 122.07 2a54 s ILE 15 Ca -0.11 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2a54 s ILE 15 Cb -0.14 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.28 2a54 s ILE 15 CO 0.00 0.36 -0.01 -0.70 0.00 0.00 0.00 174.94 174.59 2a54 s GLU 16 N 0.66 0.18 0.01 2.79 2.12 -1.26 0.09 118.70 123.28 2a54 s GLU 16 Ca -0.15 -0.04 -0.28 0.00 0.36 0.00 0.00 54.97 54.87 2a54 s GLU 16 Cb -0.16 -0.22 0.09 0.00 0.26 0.00 0.00 34.13 34.11 2a54 s GLU 16 CO 0.04 0.01 1.26 0.20 -0.54 0.00 0.00 175.26 176.22 2a54 s GLY 17 N 0.18 -0.11 0.04 -1.50 0.00 -0.72 -5.03 107.32 100.18 2a54 s GLY 17 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.79 2a54 s GLY 17 CO -0.00 4.96 -0.18 -0.51 0.00 0.00 0.00 173.10 177.37 2a54 s THR 18 N -2.06 1.42 -0.06 0.90 -4.23 -1.26 -1.00 115.64 109.34 2a54 s THR 18 Ca 0.28 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2a54 s THR 18 Cb -0.00 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.62 2a54 s THR 18 CO -0.00 0.14 0.01 -0.69 -0.54 0.00 0.00 174.62 173.53 2a54 s VAL 19 N -0.79 0.31 -1.59 2.29 1.01 -0.58 -4.83 120.40 116.22 2a54 s VAL 19 Ca 0.05 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2a54 s VAL 19 Cb -0.08 -0.47 0.11 0.00 0.00 0.00 0.00 36.38 35.93 2a54 s VAL 19 CO 0.01 0.24 0.93 0.59 0.00 0.00 0.00 175.10 176.88 2a54 n ASN 20 N 5.10 -4.40 0.00 3.32 4.13 -1.26 -1.25 115.26 120.91 2a54 n ASN 20 Ca -0.08 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.34 2a54 n ASN 20 Cb 0.50 -3.55 0.00 0.00 -1.54 0.00 0.00 39.78 35.19 2a54 n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a54 n GLY 21 N -1.61 1.89 3.58 7.41 0.00 -1.26 -5.01 105.19 110.19 2a54 n GLY 21 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2a54 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a54 s HIS 22 N -2.99 3.19 0.26 1.61 5.04 -0.38 -5.05 115.29 116.97 2a54 s HIS 22 Ca 0.00 0.41 -0.28 0.00 -1.54 0.00 0.00 55.06 53.65 2a54 s HIS 22 Cb 0.00 -2.99 -0.09 0.00 0.04 0.00 0.00 32.58 29.54 2a54 s HIS 22 CO 0.00 -0.52 0.91 -0.47 -2.34 0.00 0.00 174.74 172.32 2a54 s TYR 23 N 2.55 3.86 0.08 3.88 5.04 -1.26 -1.52 117.35 129.98 2a54 s TYR 23 Ca 0.23 1.81 -0.16 0.00 -2.44 0.00 0.00 57.07 56.51 2a54 s TYR 23 Cb -0.15 -2.92 0.03 0.00 0.35 0.00 0.00 41.96 39.27 2a54 s TYR 23 CO 0.13 0.37 0.38 -0.59 -1.34 0.00 0.00 175.55 174.50 2a54 s PHE 24 N -1.35 -0.20 -0.00 4.97 -0.12 -0.17 -4.25 117.98 116.85 2a54 s PHE 24 Ca 0.44 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 57.36 2a54 s PHE 24 Cb -0.23 0.21 -0.00 0.00 -0.63 0.00 0.00 43.02 42.37 2a54 s PHE 24 CO 0.28 -0.61 -0.04 0.21 -0.05 0.00 0.00 175.22 175.01 2a54 s LYS 25 N -3.07 0.32 0.12 1.99 2.20 -0.59 -1.75 119.74 118.96 2a54 s LYS 25 Ca -0.02 -0.14 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 2a54 s LYS 25 Cb 0.01 -0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 2a54 s LYS 25 CO -0.07 0.08 -0.13 0.00 -0.36 0.00 0.00 175.35 174.88 2a54 s THR 27 N -2.33 2.10 0.09 0.00 -4.23 -0.52 -0.90 115.64 109.85 2a54 s THR 27 Ca 0.09 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 2a54 s THR 27 Cb -0.04 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.76 2a54 s THR 27 CO 0.02 -0.37 0.39 -0.83 -0.54 0.00 0.00 174.62 173.29 2a54 s GLY 28 N -3.08 -0.26 -0.04 3.99 0.00 -0.62 -0.24 107.32 107.07 2a54 s GLY 28 Ca 0.23 0.05 -0.07 0.00 0.00 0.00 0.00 44.72 44.92 2a54 s GLY 28 CO 0.10 -0.20 0.18 1.25 0.00 0.00 0.00 173.10 174.42 2a54 s LYS 29 N -3.33 0.33 0.29 2.90 2.20 -0.65 -1.10 119.74 120.38 2a54 s LYS 29 Ca 0.00 0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.47 2a54 s LYS 29 Cb 0.01 0.15 0.06 0.00 -1.51 0.00 0.00 37.83 36.54 2a54 s LYS 29 CO -0.09 -0.06 0.84 0.41 -0.36 0.00 0.00 175.35 176.09 2a54 n GLY 30 N 2.39 0.88 3.23 5.54 0.00 -0.37 -0.73 105.19 116.13 2a54 n GLY 30 Ca -0.16 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2a54 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a54 s GLU 31 N -2.07 0.64 0.32 1.61 2.12 -0.79 -0.75 118.70 119.79 2a54 s GLU 31 Ca 0.18 -0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.32 2a54 s GLU 31 Cb -0.04 0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.63 2a54 s GLU 31 CO 0.09 -0.17 0.43 0.20 -0.54 0.00 0.00 175.26 175.27 2a54 s GLY 32 N -1.24 1.45 -0.38 -1.50 0.00 -0.72 -1.53 107.32 103.41 2a54 s GLY 32 Ca -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 2a54 s GLY 32 CO 0.04 -1.03 0.16 0.21 0.00 0.00 0.00 173.10 172.48 2a54 s ASN 33 N -3.22 5.27 0.23 1.64 3.04 0.70 -1.04 114.94 121.56 2a54 s ASN 33 Ca 0.31 -1.66 -0.07 0.00 0.04 0.00 0.00 52.86 51.49 2a54 s ASN 33 Cb 0.00 -1.84 0.34 0.00 -1.54 0.00 0.00 41.25 38.21 2a54 s ASN 33 CO 0.19 -0.46 1.79 -0.65 -3.04 0.00 0.00 177.10 174.93 2a54 h PRO 34 N 8.14 0.63 0.00 0.43 0.10 -1.83 -0.77 132.00 138.71 2a54 h PRO 34 Ca -0.18 -0.04 -0.07 0.00 0.10 0.00 0.00 66.00 65.81 2a54 h PRO 34 Cb 1.06 -0.14 -0.01 0.00 0.10 0.00 0.00 31.00 32.01 2a54 h PRO 34 CO 0.67 0.42 -1.04 0.74 0.10 0.00 0.00 178.00 178.89 2a54 h PHE 35 N 0.65 0.00 0.00 0.65 -1.00 -1.86 -3.27 116.94 112.10 2a54 h PHE 35 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 2a54 h PHE 35 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2a54 h PHE 35 CO -0.09 0.25 -0.31 0.93 -1.61 0.00 0.00 178.31 177.48 2a54 h GLU 36 N 0.00 0.00 -1.21 1.51 5.08 -1.88 -3.48 114.58 114.60 2a54 h GLU 36 Ca -0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2a54 h GLU 36 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 2a54 h GLU 36 CO 0.02 0.00 -0.14 0.41 -1.00 0.00 0.00 179.01 178.30 2a54 n GLY 37 N 1.25 0.29 3.27 -3.84 0.00 -0.31 -5.04 105.19 100.82 2a54 n GLY 37 Ca 0.04 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2a54 n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a54 s THR 38 N -2.52 1.63 0.05 2.61 -4.23 -1.19 -5.00 115.64 106.99 2a54 s THR 38 Ca 0.05 -1.52 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 2a54 s THR 38 Cb -0.02 -1.50 0.09 0.00 1.34 0.00 0.00 72.50 72.41 2a54 s THR 38 CO 0.06 -0.10 0.78 0.00 -0.54 0.00 0.00 174.62 174.82 2a54 s GLN 39 N -1.92 0.99 -0.01 3.99 -2.07 -1.26 -0.22 119.66 119.16 2a54 s GLN 39 Ca 0.05 -0.34 -0.07 0.00 -1.82 0.00 0.00 55.36 53.19 2a54 s GLN 39 Cb -0.10 0.46 0.01 0.00 -1.09 0.00 0.00 33.01 32.29 2a54 s GLN 39 CO 0.04 -0.43 0.15 -2.00 -1.32 0.00 0.00 175.29 171.73 2a54 s GLU 40 N -3.26 0.42 0.06 9.60 2.12 -0.58 -4.99 118.70 122.07 2a54 s GLU 40 Ca 0.03 -0.24 -0.04 0.00 0.36 0.00 0.00 54.97 55.07 2a54 s GLU 40 Cb -0.01 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 2a54 s GLU 40 CO -0.10 -0.09 0.07 0.00 -0.54 0.00 0.00 175.26 174.60 2a54 s MET 41 N -1.02 0.66 -0.16 4.30 0.23 -1.26 -1.88 119.30 120.16 2a54 s MET 41 Ca -0.11 -0.98 -0.03 0.00 -1.03 0.00 0.00 55.69 53.54 2a54 s MET 41 Cb -0.06 0.25 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 2a54 s MET 41 CO 0.01 -0.16 -0.06 0.21 -2.03 0.00 0.00 175.02 172.99 2a54 s LYS 42 N -3.41 3.55 -0.13 3.16 2.20 0.10 -4.97 119.74 120.23 2a54 s LYS 42 Ca 0.02 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2a54 s LYS 42 Cb 0.04 -2.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2a54 s LYS 42 CO -0.08 0.15 -0.09 0.42 -0.36 0.00 0.00 175.35 175.38 2a54 s ILE 43 N 0.58 3.41 -0.12 5.43 1.09 -1.26 -1.64 121.20 128.70 2a54 s ILE 43 Ca -0.04 -0.54 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 2a54 s ILE 43 Cb -0.15 -2.45 -0.01 0.00 -1.06 0.00 0.00 42.46 38.79 2a54 s ILE 43 CO 0.03 0.52 -0.17 -1.61 -0.10 0.00 0.00 174.94 173.61 2a54 s GLU 44 N 0.22 3.25 -0.27 2.79 2.02 0.66 -5.00 118.70 122.38 2a54 s GLU 44 Ca -0.06 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 53.89 2a54 s GLU 44 Cb -0.15 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.58 2a54 s GLU 44 CO 0.04 0.19 1.04 0.08 0.02 0.00 0.00 175.26 176.63 2a54 s VAL 45 N 0.38 4.62 -0.02 2.63 1.01 -1.26 -1.44 120.40 126.31 2a54 s VAL 45 Ca -0.13 1.86 0.15 0.00 0.00 0.00 0.00 61.98 63.85 2a54 s VAL 45 Cb -0.17 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 31.64 2a54 s VAL 45 CO 0.06 -0.31 0.32 2.30 0.00 0.00 0.00 175.10 177.48 2a54 n ILE 46 N 5.57 0.03 -4.09 2.22 -5.35 0.28 -4.80 119.36 113.22 2a54 n ILE 46 Ca 0.11 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 62.10 2a54 n ILE 46 Cb 0.47 0.13 -0.13 0.00 -1.74 0.00 0.00 39.64 38.37 2a54 n ILE 46 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2a54 s GLU 47 N -3.02 0.44 0.00 6.28 2.02 -0.92 -4.89 118.70 118.61 2a54 s GLU 47 Ca -0.06 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.49 2a54 s GLU 47 Cb 0.09 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.01 2a54 s GLU 47 CO 0.62 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.39 2a54 n GLY 48 N 2.25 0.57 3.92 -1.39 0.00 -1.26 -1.55 105.19 107.73 2a54 n GLY 48 Ca -0.18 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2a54 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a54 s GLY 49 N -2.07 1.69 0.41 -0.02 0.00 -1.26 -3.98 107.32 102.09 2a54 s GLY 49 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 44.72 43.82 2a54 s GLY 49 CO 0.00 -0.56 1.08 2.56 0.00 0.00 0.00 173.10 176.18 2a54 s PRO 50 N -3.84 4.06 0.24 2.90 0.04 -1.26 -5.09 135.00 132.06 2a54 s PRO 50 Ca 0.43 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2a54 s PRO 50 Cb -0.10 -2.50 -0.11 0.00 0.04 0.00 0.00 34.50 31.82 2a54 s PRO 50 CO 0.33 -0.25 1.62 -0.51 0.04 0.00 0.00 177.00 178.22 2a54 s LEU 51 N -2.74 4.36 -0.05 -3.56 1.43 -1.26 -4.88 118.68 111.98 2a54 s LEU 51 Ca 0.59 2.85 0.06 0.00 -1.03 0.00 0.00 54.13 56.61 2a54 s LEU 51 Cb -0.24 -3.62 0.26 0.00 0.03 0.00 0.00 46.19 42.63 2a54 s LEU 51 CO 0.29 -0.90 1.04 -0.81 0.23 0.00 0.00 176.35 176.21 2a54 n PRO 52 N 3.01 2.03 -4.00 1.29 -0.04 -1.26 -4.86 135.00 131.17 2a54 n PRO 52 Ca 0.11 -1.02 -0.09 0.00 -0.04 0.00 0.00 63.50 62.46 2a54 n PRO 52 Cb 0.37 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 2a54 n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2a54 s PHE 53 N -1.63 0.47 0.16 0.54 -0.12 -1.26 -5.13 117.98 111.00 2a54 s PHE 53 Ca 0.18 -0.87 -0.31 0.00 -0.05 0.00 0.00 56.93 55.88 2a54 s PHE 53 Cb 0.12 -0.19 -0.10 0.00 -0.63 0.00 0.00 43.02 42.22 2a54 s PHE 53 CO 0.08 -0.60 1.66 0.00 -0.05 0.00 0.00 175.22 176.31 2a54 s ALA 54 N -3.96 3.81 0.54 1.99 0.00 -1.26 -4.87 121.76 118.00 2a54 s ALA 54 Ca 0.15 1.42 0.25 0.00 0.00 0.00 0.00 51.96 53.78 2a54 s ALA 54 Cb 0.05 -3.68 1.42 0.00 0.00 0.00 0.00 23.12 20.91 2a54 s ALA 54 CO -0.03 -0.94 2.02 0.35 0.00 0.00 0.00 175.76 177.16 2a54 h PHE 55 N 7.31 0.00 -1.00 0.00 3.57 -2.00 -3.03 116.94 121.79 2a54 h PHE 55 Ca -0.43 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.32 2a54 h PHE 55 Cb 1.20 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 2a54 h PHE 55 CO 0.69 0.00 0.66 0.45 -2.23 0.00 0.00 178.31 177.88 2a54 h HIS 56 N 0.00 0.55 0.00 0.41 3.86 -2.02 0.32 115.15 118.27 2a54 h HIS 56 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2a54 h HIS 56 Cb 0.88 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.18 2a54 h HIS 56 CO 0.00 0.09 0.00 0.44 0.86 0.00 0.00 177.93 179.32 2a54 n ILE 57 N -4.54 1.18 1.00 2.45 -5.35 -1.15 -1.98 119.36 110.98 2a54 n ILE 57 Ca 0.23 0.32 0.11 0.00 -0.27 0.00 0.00 62.75 63.13 2a54 n ILE 57 Cb 0.84 -1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 37.59 2a54 n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2a54 n LEU 58 N -1.61 1.98 -0.15 7.28 4.77 0.11 -4.66 117.00 124.73 2a54 n LEU 58 Ca 0.02 -0.74 -0.05 0.00 -0.03 0.00 0.00 56.01 55.21 2a54 n LEU 58 Cb 0.14 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2a54 n LEU 58 CO 0.11 0.37 1.00 0.28 -1.33 0.00 0.00 177.39 177.82 2a54 h SER 59 N 2.32 0.31 0.17 -1.43 0.02 -1.40 -0.95 113.55 112.59 2a54 h SER 59 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2a54 h SER 59 Cb 0.75 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2a54 h SER 59 CO 0.00 0.22 0.00 0.35 -1.14 0.00 0.00 176.83 176.26 2a54 n THR 60 N -4.92 0.08 0.74 -2.27 -2.24 -1.26 -3.19 114.28 101.22 2a54 n THR 60 Ca 0.03 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 2a54 n THR 60 Cb 0.13 -0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 67.65 2a54 n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2a54 n SER 61 N -1.10 0.75 0.00 3.42 7.64 -0.37 -5.26 113.62 118.70 2a54 n SER 61 Ca 0.16 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2a54 n SER 61 Cb 0.13 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 2a54 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03