#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a52 h SER 1 N 0.00 -0.28 0.71 1.61 0.87 -2.05 -2.12 113.55 112.30 2a52 h SER 1 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2a52 h SER 1 Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2a52 h SER 1 CO 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 176.83 176.20 2a52 n ALA 2 N -2.69 1.65 0.29 6.23 0.00 -1.26 -2.06 120.51 122.68 2a52 n ALA 2 Ca 0.04 0.08 0.17 0.00 0.00 0.00 0.00 53.44 53.73 2a52 n ALA 2 Cb 0.25 -1.38 0.81 0.00 0.00 0.00 0.00 19.45 19.13 2a52 n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2a52 h SER 3 N 0.00 0.00 0.78 0.00 4.64 -1.87 -1.92 113.55 115.18 2a52 h SER 3 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a52 h SER 3 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2a52 h SER 3 CO 0.00 0.04 0.00 0.49 -0.87 0.00 0.00 176.83 176.49 2a52 n PHE 4 N -3.23 0.32 -4.01 4.77 3.01 -0.87 -4.82 117.46 112.63 2a52 n PHE 4 Ca -0.01 0.12 -0.22 0.00 1.01 0.00 0.00 57.45 58.35 2a52 n PHE 4 Cb 0.24 -0.69 -0.03 0.00 -0.01 0.00 0.00 39.48 39.00 2a52 n PHE 4 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2a52 s LEU 5 N -3.57 4.17 0.35 4.37 1.43 -0.72 -5.13 118.68 119.58 2a52 s LEU 5 Ca 0.08 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2a52 s LEU 5 Cb 0.12 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 2a52 s LEU 5 CO 0.39 -0.04 -0.01 -0.54 0.23 0.00 0.00 176.35 176.38 2a52 s LYS 6 N -3.80 1.79 0.28 1.70 1.02 -1.26 -5.05 119.74 114.42 2a52 s LYS 6 Ca 0.34 -1.97 -0.01 0.00 0.02 0.00 0.00 55.97 54.35 2a52 s LYS 6 Cb -0.09 -1.40 0.42 0.00 -0.52 0.00 0.00 37.83 36.24 2a52 s LYS 6 CO 0.28 -0.02 1.83 -0.22 -0.92 0.00 0.00 175.35 176.29 2a52 h LYS 7 N 1.99 0.80 -4.97 1.68 3.64 -1.99 -3.40 116.57 114.32 2a52 h LYS 7 Ca -0.42 -0.17 -0.59 0.00 -1.27 0.00 0.00 60.65 58.20 2a52 h LYS 7 Cb 1.24 -0.12 -0.33 0.00 -0.41 0.00 0.00 32.23 32.61 2a52 h LYS 7 CO 0.74 0.73 -0.85 0.99 -2.27 0.00 0.00 179.45 178.79 2a52 s THR 8 N -5.18 1.58 -0.01 1.00 2.01 -1.26 -3.76 115.64 110.03 2a52 s THR 8 Ca -0.10 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2a52 s THR 8 Cb 0.15 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.27 2a52 s THR 8 CO 0.80 0.45 -0.06 -0.04 -0.69 0.00 0.00 174.62 175.08 2a52 s MET 9 N 0.47 0.55 0.57 4.92 -1.94 -0.07 -4.98 119.30 118.81 2a52 s MET 9 Ca -0.16 -0.23 -0.08 0.00 -1.71 0.00 0.00 55.69 53.51 2a52 s MET 9 Cb -0.17 -0.53 -0.03 0.00 2.01 0.00 0.00 34.83 36.11 2a52 s MET 9 CO 0.06 0.13 0.92 -1.25 -0.01 0.00 0.00 175.02 174.87 2a52 s PRO 10 N -0.10 3.45 0.07 2.03 0.04 -1.26 -1.44 135.00 137.79 2a52 s PRO 10 Ca 0.02 0.42 -0.08 0.00 0.04 0.00 0.00 61.00 61.40 2a52 s PRO 10 Cb -0.03 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 2a52 s PRO 10 CO -0.00 -0.47 0.18 -0.59 0.04 0.00 0.00 177.00 176.16 2a52 s PHE 11 N -2.99 0.14 0.05 0.56 -0.12 -0.31 -4.93 117.98 110.37 2a52 s PHE 11 Ca 0.52 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 2a52 s PHE 11 Cb -0.11 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 2a52 s PHE 11 CO 0.49 -0.49 -0.06 -1.59 -0.05 0.00 0.00 175.22 173.52 2a52 s LYS 12 N -3.41 0.55 0.03 1.99 -2.85 -1.26 -0.96 119.74 113.83 2a52 s LYS 12 Ca 0.02 -0.91 -0.01 0.00 -1.00 0.00 0.00 55.97 54.06 2a52 s LYS 12 Cb 0.03 -0.09 -0.02 0.00 -2.06 0.00 0.00 37.83 35.68 2a52 s LYS 12 CO -0.09 -0.01 -0.01 -0.08 0.10 0.00 0.00 175.35 175.26 2a52 s THR 13 N -2.26 0.14 -0.04 3.79 -1.32 -0.11 -4.97 115.64 110.86 2a52 s THR 13 Ca -0.04 -1.18 0.01 0.00 -1.21 0.00 0.00 61.69 59.27 2a52 s THR 13 Cb -0.04 -0.68 0.02 0.00 -1.51 0.00 0.00 72.50 70.28 2a52 s THR 13 CO -0.03 -0.65 -0.06 -0.89 -2.21 0.00 0.00 174.62 170.79 2a52 s THR 14 N -2.27 0.62 -0.05 5.08 2.01 -1.26 -1.85 115.64 117.92 2a52 s THR 14 Ca -0.08 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.74 2a52 s THR 14 Cb -0.04 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.87 2a52 s THR 14 CO -0.04 0.23 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.39 2a52 s ILE 15 N 0.72 1.00 -0.02 1.82 1.01 -0.40 -5.00 121.20 120.32 2a52 s ILE 15 Ca -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2a52 s ILE 15 Cb -0.13 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2a52 s ILE 15 CO 0.01 0.32 -0.08 -0.70 0.00 0.00 0.00 174.94 174.49 2a52 s GLU 16 N 0.54 0.80 0.17 2.79 2.12 -1.26 -0.82 118.70 123.04 2a52 s GLU 16 Ca -0.11 -0.26 -0.23 0.00 0.36 0.00 0.00 54.97 54.73 2a52 s GLU 16 Cb -0.14 -0.77 0.07 0.00 0.26 0.00 0.00 34.13 33.56 2a52 s GLU 16 CO 0.02 0.10 1.01 0.20 -0.54 0.00 0.00 175.26 176.06 2a52 s GLY 17 N 0.16 -0.02 -0.05 -1.50 0.00 -0.77 -5.03 107.32 100.11 2a52 s GLY 17 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.57 2a52 s GLY 17 CO 0.00 1.33 -0.07 -1.59 0.00 0.00 0.00 173.10 172.77 2a52 s THR 18 N -2.59 0.76 -0.11 0.90 2.01 -1.26 -1.66 115.64 113.69 2a52 s THR 18 Ca 0.18 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.93 2a52 s THR 18 Cb -0.02 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.76 2a52 s THR 18 CO 0.04 0.27 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 2a52 s VAL 19 N 0.84 1.36 -1.59 3.82 1.01 -0.26 -4.80 120.40 120.78 2a52 s VAL 19 Ca -0.12 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 2a52 s VAL 19 Cb -0.15 -1.28 0.12 0.00 0.00 0.00 0.00 36.38 35.08 2a52 s VAL 19 CO 0.01 0.42 0.83 0.59 0.00 0.00 0.00 175.10 176.95 2a52 n ASN 20 N 4.43 -3.99 0.00 3.32 4.13 -1.26 -0.76 115.26 121.13 2a52 n ASN 20 Ca -0.18 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.24 2a52 n ASN 20 Cb 0.51 -3.23 0.00 0.00 -1.54 0.00 0.00 39.78 35.52 2a52 n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a52 n GLY 21 N -1.48 1.31 3.54 7.41 0.00 -1.26 -5.01 105.19 109.70 2a52 n GLY 21 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2a52 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a52 s HIS 22 N -2.65 3.21 0.23 1.61 5.04 0.06 -5.07 115.29 117.71 2a52 s HIS 22 Ca 0.00 -0.07 -0.25 0.00 -1.54 0.00 0.00 55.06 53.20 2a52 s HIS 22 Cb 0.00 -2.68 -0.09 0.00 0.04 0.00 0.00 32.58 29.85 2a52 s HIS 22 CO 0.00 -0.46 0.82 -0.47 -2.34 0.00 0.00 174.74 172.30 2a52 s TYR 23 N 2.01 3.80 0.13 3.88 6.14 -1.26 -1.11 117.35 130.94 2a52 s TYR 23 Ca 0.11 1.64 -0.19 0.00 0.64 0.00 0.00 57.07 59.27 2a52 s TYR 23 Cb -0.17 -2.79 0.05 0.00 0.42 0.00 0.00 41.96 39.47 2a52 s TYR 23 CO 0.12 0.39 0.49 -0.59 0.64 0.00 0.00 175.55 176.59 2a52 s PHE 24 N -1.36 -0.35 -0.02 4.97 -0.12 -0.66 -4.16 117.98 116.28 2a52 s PHE 24 Ca 0.42 0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 57.40 2a52 s PHE 24 Cb -0.21 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.56 2a52 s PHE 24 CO 0.25 -0.75 0.05 0.21 -0.05 0.00 0.00 175.22 174.93 2a52 s LYS 25 N -3.63 0.06 0.11 1.99 2.20 -0.34 -1.84 119.74 118.30 2a52 s LYS 25 Ca 0.01 0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.73 2a52 s LYS 25 Cb 0.01 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 2a52 s LYS 25 CO -0.11 -0.01 -0.12 0.00 -0.36 0.00 0.00 175.35 174.75 2a52 s THR 27 N -2.32 1.75 0.08 0.00 -4.23 -0.55 -1.28 115.64 109.09 2a52 s THR 27 Ca 0.07 -2.09 -0.26 0.00 -1.18 0.00 0.00 61.69 58.23 2a52 s THR 27 Cb -0.04 -2.67 0.08 0.00 1.34 0.00 0.00 72.50 71.21 2a52 s THR 27 CO 0.01 -0.16 0.70 -0.83 -0.54 0.00 0.00 174.62 173.80 2a52 s GLY 28 N -3.54 -0.56 0.02 3.99 0.00 -0.77 -0.84 107.32 105.62 2a52 s GLY 28 Ca 0.33 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.87 2a52 s GLY 28 CO 0.15 0.35 -0.08 0.54 0.00 0.00 0.00 173.10 174.06 2a52 s LYS 29 N -3.13 0.59 0.37 2.90 1.02 -0.84 -0.93 119.74 119.72 2a52 s LYS 29 Ca 0.00 -0.55 -0.08 0.00 0.02 0.00 0.00 55.97 55.37 2a52 s LYS 29 Cb -0.01 -0.49 0.03 0.00 -0.52 0.00 0.00 37.83 36.84 2a52 s LYS 29 CO -0.08 0.12 0.63 0.41 -0.92 0.00 0.00 175.35 175.50 2a52 n GLY 30 N 2.12 1.58 3.31 -3.33 0.00 -0.13 -0.40 105.19 108.34 2a52 n GLY 30 Ca -0.18 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 2a52 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a52 s GLU 31 N -2.48 0.73 0.38 1.61 2.12 -0.61 -1.17 118.70 119.29 2a52 s GLU 31 Ca 0.23 0.02 -0.15 0.00 0.36 0.00 0.00 54.97 55.44 2a52 s GLU 31 Cb -0.03 0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.74 2a52 s GLU 31 CO 0.17 -0.20 0.76 0.20 -0.54 0.00 0.00 175.26 175.65 2a52 s GLY 32 N -1.07 0.47 -0.41 -1.50 0.00 -0.52 -1.66 107.32 102.63 2a52 s GLY 32 Ca -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 2a52 s GLY 32 CO 0.05 -0.37 0.22 -1.31 0.00 0.00 0.00 173.10 171.68 2a52 s ASN 33 N -3.08 5.33 0.33 1.64 -0.87 0.07 -0.89 114.94 117.47 2a52 s ASN 33 Ca 0.17 -1.94 0.01 0.00 -1.57 0.00 0.00 52.86 49.53 2a52 s ASN 33 Cb -0.05 -1.86 0.58 0.00 -0.02 0.00 0.00 41.25 39.90 2a52 s ASN 33 CO 0.12 -0.55 1.97 -0.65 -2.57 0.00 0.00 177.10 175.42 2a52 h PRO 34 N 8.13 0.85 0.00 -0.60 0.11 -1.77 -0.79 132.00 137.93 2a52 h PRO 34 Ca -0.15 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 2a52 h PRO 34 Cb 1.05 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2a52 h PRO 34 CO 0.72 0.60 -0.73 0.74 -0.21 0.00 0.00 178.00 179.12 2a52 h PHE 35 N 0.86 0.00 0.00 0.65 -1.00 -1.86 -3.07 116.94 112.53 2a52 h PHE 35 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2a52 h PHE 35 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 2a52 h PHE 35 CO 0.00 0.54 -0.19 0.39 -1.61 0.00 0.00 178.31 177.44 2a52 n GLU 36 N -3.15 0.27 -1.53 1.51 1.02 -0.99 -4.97 120.64 112.80 2a52 n GLU 36 Ca -0.01 0.18 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 2a52 n GLU 36 Cb 0.77 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.41 2a52 n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a52 n GLY 37 N 1.32 0.47 3.34 0.62 0.00 -0.34 -5.04 105.19 105.56 2a52 n GLY 37 Ca 0.05 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 2a52 n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a52 s THR 38 N -2.16 2.05 0.09 2.61 -4.23 -1.10 -5.02 115.64 107.89 2a52 s THR 38 Ca 0.00 -1.57 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 2a52 s THR 38 Cb 0.00 -1.81 0.07 0.00 1.34 0.00 0.00 72.50 72.10 2a52 s THR 38 CO 0.00 0.13 0.64 0.00 -0.54 0.00 0.00 174.62 174.85 2a52 s GLN 39 N -1.74 1.20 -0.10 3.99 -2.07 -1.26 -0.75 119.66 118.93 2a52 s GLN 39 Ca 0.11 -0.25 -0.10 0.00 -1.82 0.00 0.00 55.36 53.30 2a52 s GLN 39 Cb -0.10 0.55 0.03 0.00 -1.09 0.00 0.00 33.01 32.40 2a52 s GLN 39 CO 0.04 -0.48 0.29 -2.00 -1.32 0.00 0.00 175.29 171.82 2a52 s GLU 40 N -2.98 0.37 0.10 9.60 2.12 -0.66 -4.99 118.70 122.26 2a52 s GLU 40 Ca -0.02 0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.60 2a52 s GLU 40 Cb -0.01 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 2a52 s GLU 40 CO -0.06 -0.05 0.10 0.00 -0.54 0.00 0.00 175.26 174.70 2a52 s MET 41 N -0.00 0.85 -0.14 4.30 0.23 -1.26 -1.57 119.30 121.71 2a52 s MET 41 Ca -0.01 -1.22 0.01 0.00 -1.03 0.00 0.00 55.69 53.44 2a52 s MET 41 Cb -0.02 0.28 -0.00 0.00 -1.53 0.00 0.00 34.83 33.55 2a52 s MET 41 CO 0.01 -0.24 -0.18 0.21 -2.03 0.00 0.00 175.02 172.79 2a52 s LYS 42 N -3.95 3.19 -0.09 3.16 2.20 0.46 -4.97 119.74 119.73 2a52 s LYS 42 Ca 0.13 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 2a52 s LYS 42 Cb 0.06 -2.53 -0.02 0.00 -1.51 0.00 0.00 37.83 33.83 2a52 s LYS 42 CO -0.05 0.09 -0.10 0.42 -0.36 0.00 0.00 175.35 175.35 2a52 s ILE 43 N 0.62 3.37 -0.12 5.43 1.09 -1.26 -1.99 121.20 128.33 2a52 s ILE 43 Ca -0.10 -0.58 0.03 0.00 -1.10 0.00 0.00 60.65 58.90 2a52 s ILE 43 Cb -0.16 -2.39 0.01 0.00 -1.06 0.00 0.00 42.46 38.86 2a52 s ILE 43 CO 0.03 0.56 -0.21 -1.61 -0.10 0.00 0.00 174.94 173.61 2a52 s GLU 44 N -0.29 2.81 -0.46 2.79 2.02 -0.02 -5.00 118.70 120.55 2a52 s GLU 44 Ca 0.03 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 53.96 2a52 s GLU 44 Cb -0.13 -2.25 0.03 0.00 0.10 0.00 0.00 34.13 31.89 2a52 s GLU 44 CO 0.03 0.03 1.06 0.08 0.02 0.00 0.00 175.26 176.47 2a52 s VAL 45 N 0.72 4.31 -0.08 2.63 1.01 -1.26 -1.48 120.40 126.26 2a52 s VAL 45 Ca -0.10 1.07 0.22 0.00 0.00 0.00 0.00 61.98 63.17 2a52 s VAL 45 Cb -0.16 -4.54 -0.28 0.00 0.00 0.00 0.00 36.38 31.41 2a52 s VAL 45 CO 0.01 -0.92 0.59 2.30 0.00 0.00 0.00 175.10 177.07 2a52 n ILE 46 N 6.65 0.11 -3.94 2.22 -5.35 0.51 -4.71 119.36 114.86 2a52 n ILE 46 Ca 0.10 -0.51 -0.12 0.00 -0.27 0.00 0.00 62.75 61.95 2a52 n ILE 46 Cb 0.49 -0.05 -0.13 0.00 -1.74 0.00 0.00 39.64 38.20 2a52 n ILE 46 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2a52 s GLU 47 N -3.49 0.14 0.00 6.28 2.02 -1.00 -4.86 118.70 117.80 2a52 s GLU 47 Ca -0.07 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2a52 s GLU 47 Cb 0.13 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.30 2a52 s GLU 47 CO 0.89 0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.59 2a52 n GLY 48 N 2.74 0.52 3.91 -1.39 0.00 -1.26 -1.20 105.19 108.52 2a52 n GLY 48 Ca -0.15 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2a52 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a52 s GLY 49 N -2.01 1.68 0.26 -0.02 0.00 -1.26 -3.64 107.32 102.33 2a52 s GLY 49 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.78 2a52 s GLY 49 CO 0.00 -0.54 1.23 2.56 0.00 0.00 0.00 173.10 176.35 2a52 s PRO 50 N -3.88 4.47 0.33 2.90 0.04 -1.26 -5.07 135.00 132.53 2a52 s PRO 50 Ca 0.43 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 2a52 s PRO 50 Cb -0.10 -3.17 -0.12 0.00 0.04 0.00 0.00 34.50 31.14 2a52 s PRO 50 CO 0.33 -0.08 1.27 1.28 0.04 0.00 0.00 177.00 179.85 2a52 n LEU 51 N 1.70 3.39 -0.56 -3.56 4.77 -1.24 -4.89 117.00 116.61 2a52 n LEU 51 Ca 0.02 1.20 0.04 0.00 -0.03 0.00 0.00 56.01 57.25 2a52 n LEU 51 Cb 0.43 -1.47 0.13 0.00 -2.33 0.00 0.00 43.42 40.19 2a52 n LEU 51 CO 0.57 -0.56 0.60 -0.81 -1.33 0.00 0.00 177.39 175.86 2a52 n PRO 52 N 0.65 1.72 -4.21 3.23 -0.04 -1.26 -4.91 135.00 130.18 2a52 n PRO 52 Ca 0.05 -1.04 -0.12 0.00 -0.04 0.00 0.00 63.50 62.35 2a52 n PRO 52 Cb 0.35 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 2a52 n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2a52 s PHE 53 N -1.62 1.13 0.10 0.54 -0.12 -1.26 -5.13 117.98 111.61 2a52 s PHE 53 Ca 0.19 -1.15 -0.31 0.00 -0.05 0.00 0.00 56.93 55.61 2a52 s PHE 53 Cb 0.10 -0.63 -0.09 0.00 -0.63 0.00 0.00 43.02 41.77 2a52 s PHE 53 CO 0.12 -0.38 1.70 0.00 -0.05 0.00 0.00 175.22 176.62 2a52 s ALA 54 N -3.86 3.72 0.57 1.99 0.00 -1.26 -4.88 121.76 118.05 2a52 s ALA 54 Ca 0.27 1.30 0.28 0.00 0.00 0.00 0.00 51.96 53.81 2a52 s ALA 54 Cb 0.07 -3.71 1.50 0.00 0.00 0.00 0.00 23.12 20.98 2a52 s ALA 54 CO 0.05 -1.11 1.96 0.35 0.00 0.00 0.00 175.76 177.01 2a52 h PHE 55 N 8.24 0.00 -0.74 0.00 3.57 -2.00 -2.72 116.94 123.30 2a52 h PHE 55 Ca -0.44 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.27 2a52 h PHE 55 Cb 1.21 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 2a52 h PHE 55 CO 0.77 0.00 0.52 0.45 -2.23 0.00 0.00 178.31 177.82 2a52 h HIS 56 N 0.00 0.09 0.00 0.41 3.86 -2.02 -0.41 115.15 117.08 2a52 h HIS 56 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2a52 h HIS 56 Cb 1.04 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2a52 h HIS 56 CO 0.00 0.03 0.00 0.44 0.86 0.00 0.00 177.93 179.26 2a52 n ILE 57 N -4.35 0.85 1.01 2.45 -5.35 -1.03 -2.36 119.36 110.58 2a52 n ILE 57 Ca 0.15 0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.93 2a52 n ILE 57 Cb 0.76 -1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 37.63 2a52 n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2a52 n LEU 58 N -1.78 1.39 -0.11 7.28 4.77 -0.16 -4.67 117.00 123.72 2a52 n LEU 58 Ca 0.03 -0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 55.39 2a52 n LEU 58 Cb 0.21 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2a52 n LEU 58 CO 0.17 0.29 0.75 0.28 -1.33 0.00 0.00 177.39 177.56 2a52 h SER 59 N 1.03 -0.52 0.70 -1.43 0.02 -1.50 -1.06 113.55 110.79 2a52 h SER 59 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2a52 h SER 59 Cb 0.60 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2a52 h SER 59 CO 0.00 -0.18 0.00 0.35 -1.14 0.00 0.00 176.83 175.86 2a52 n THR 60 N -5.34 0.80 0.30 -2.27 -2.24 -1.26 -3.00 114.28 101.26 2a52 n THR 60 Ca 0.02 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2a52 n THR 60 Cb 0.25 -0.96 0.01 0.00 -2.10 0.00 0.00 70.33 67.53 2a52 n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2a52 n SER 61 N -1.79 0.66 0.00 3.42 7.64 -0.42 -5.26 113.62 117.87 2a52 n SER 61 Ca 0.04 0.10 0.01 0.00 1.01 0.00 0.00 58.87 60.02 2a52 n SER 61 Cb 0.23 0.69 0.03 0.00 -1.01 0.00 0.00 64.21 64.15 2a52 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03