#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x58 n SER 2 N 0.00 -0.16 0.00 1.61 2.88 -1.26 -5.07 113.62 111.62 1x58 n SER 2 Ca 0.00 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 1x58 n SER 2 Cb 0.00 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1x58 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x58 n SER 3 N -2.10 0.00 0.00 -3.46 7.64 -1.26 -4.90 113.62 109.54 1x58 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x58 n SER 3 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1x58 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 4 N 0.00 1.40 1.87 0.23 0.00 -1.26 -5.05 105.19 102.38 1x58 n GLY 4 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1x58 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x58 n SER 5 N 0.00 -2.17 -3.66 1.61 2.88 -1.26 -5.00 113.62 106.02 1x58 n SER 5 Ca 0.00 -0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 1x58 n SER 5 Cb 0.00 -0.60 -0.08 0.00 -0.75 0.00 0.00 64.21 62.77 1x58 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x58 s SER 6 N -0.52 -0.73 -0.10 -3.46 1.04 -1.26 -5.04 113.70 103.63 1x58 s SER 6 Ca 0.12 1.27 -0.33 0.00 0.48 0.00 0.00 55.95 57.49 1x58 s SER 6 Cb -0.01 1.20 0.13 0.00 0.10 0.00 0.00 66.02 67.44 1x58 s SER 6 CO 0.26 -0.22 1.25 -0.83 0.98 0.00 0.00 173.24 174.68 1x58 s GLY 7 N 1.07 -0.35 -0.40 7.32 0.00 -1.26 -5.09 107.32 108.62 1x58 s GLY 7 Ca -0.06 1.12 0.09 0.00 0.00 0.00 0.00 44.72 45.87 1x58 s GLY 7 CO -0.10 0.32 0.61 -2.13 0.00 0.00 0.00 173.10 171.80 1x58 n ARG 8 N -0.30 0.78 0.00 2.90 0.63 -1.26 -4.96 116.66 114.45 1x58 n ARG 8 Ca -0.04 -3.09 0.00 0.00 -0.92 0.00 0.00 57.85 53.79 1x58 n ARG 8 Cb 0.61 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1x58 n ARG 8 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x58 n LYS 9 N 1.17 0.00 0.00 -0.14 4.76 -1.26 -5.11 118.16 117.58 1x58 n LYS 9 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1x58 n LYS 9 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1x58 n ASP 10 N -2.49 0.00 -4.59 4.39 8.00 -1.26 -5.06 116.55 115.54 1x58 n ASP 10 Ca 0.00 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.02 1x58 n ASP 10 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1x58 n ASP 10 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1x58 n PHE 11 N -1.03 2.00 -1.38 1.24 3.01 -1.26 -4.96 117.46 115.09 1x58 n PHE 11 Ca 0.00 0.08 -0.29 0.00 1.01 0.00 0.00 57.45 58.25 1x58 n PHE 11 Cb 0.00 -2.63 0.15 0.00 -0.01 0.00 0.00 39.48 36.99 1x58 n PHE 11 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1x58 s THR 12 N 6.05 2.18 0.29 4.37 -1.32 -1.26 -4.83 115.64 121.13 1x58 s THR 12 Ca 1.00 0.06 0.04 0.00 -1.21 0.00 0.00 61.69 61.58 1x58 s THR 12 Cb -0.69 -2.69 0.29 0.00 -1.51 0.00 0.00 72.50 67.90 1x58 s THR 12 CO 0.48 -0.08 1.80 0.07 -2.21 0.00 0.00 174.62 174.68 1x58 h LYS 13 N -1.61 0.83 -0.09 7.08 -0.00 -1.93 -1.35 116.57 119.50 1x58 h LYS 13 Ca -0.52 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.11 1x58 h LYS 13 Cb 1.32 -0.19 -0.03 0.00 -0.00 0.00 0.00 32.23 33.34 1x58 h LYS 13 CO 0.60 0.55 -0.08 0.93 -0.00 0.00 0.00 179.45 181.44 1x58 h GLU 14 N 0.85 -0.09 0.00 0.07 4.39 -1.99 -1.30 114.58 116.51 1x58 h GLU 14 Ca 0.55 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.20 1x58 h GLU 14 Cb 0.74 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1x58 h GLU 14 CO -0.34 -0.06 -0.27 0.93 -1.16 0.00 0.00 179.01 178.11 1x58 h GLU 15 N -0.10 0.00 -0.10 2.33 5.08 -1.59 0.75 114.58 120.95 1x58 h GLU 15 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1x58 h GLU 15 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1x58 h GLU 15 CO -0.15 0.27 -0.70 0.28 -1.00 0.00 0.00 179.01 177.71 1x58 h VAL 16 N 0.00 1.32 -0.22 3.13 2.07 -0.94 -0.46 116.25 121.15 1x58 h VAL 16 Ca -0.00 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.57 1x58 h VAL 16 Cb 0.72 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1x58 h VAL 16 CO 0.04 0.61 0.10 0.78 0.02 0.00 0.00 177.57 179.11 1x58 h ASN 17 N 0.32 0.14 -0.53 0.57 2.35 -0.52 -2.05 115.58 115.87 1x58 h ASN 17 Ca -0.06 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1x58 h ASN 17 Cb 1.35 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.68 1x58 h ASN 17 CO 0.14 0.11 0.34 1.88 -1.65 0.00 0.00 177.43 178.25 1x58 h TYR 18 N 0.21 0.68 0.36 1.19 0.05 -0.87 0.12 116.97 118.71 1x58 h TYR 18 Ca 0.09 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1x58 h TYR 18 Cb 0.04 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 1x58 h TYR 18 CO -0.10 0.44 -0.20 1.25 -1.05 0.00 0.00 178.16 178.50 1x58 h LEU 19 N 0.73 -0.49 -0.99 3.88 7.12 -0.56 0.74 115.31 125.75 1x58 h LEU 19 Ca 0.19 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.17 1x58 h LEU 19 Cb -0.06 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 1x58 h LEU 19 CO -0.04 -0.33 -0.30 -0.26 -0.13 0.00 0.00 178.44 177.39 1x58 h PHE 20 N -0.52 0.00 0.36 1.25 0.04 -0.83 -1.10 116.94 116.13 1x58 h PHE 20 Ca -0.04 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1x58 h PHE 20 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1x58 h PHE 20 CO -0.07 0.30 -0.17 0.45 -0.60 0.00 0.00 178.31 178.21 1x58 h HIS 21 N 0.00 -0.45 0.23 -0.55 3.86 -0.63 -3.07 115.15 114.54 1x58 h HIS 21 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1x58 h HIS 21 Cb 0.84 0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 1x58 h HIS 21 CO 0.00 -0.13 -0.41 0.78 0.86 0.00 0.00 177.93 179.03 1x58 h GLY 22 N -0.79 -1.17 2.00 2.45 0.00 -0.61 -2.11 103.07 102.84 1x58 h GLY 22 Ca -0.05 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 1x58 h GLY 22 CO 0.08 -0.33 -0.05 -2.08 0.00 0.00 0.00 176.54 174.17 1x58 h VAL 23 N -0.69 0.57 -0.12 4.60 2.07 -1.36 0.18 116.25 121.51 1x58 h VAL 23 Ca -0.03 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1x58 h VAL 23 Cb 0.65 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1x58 h VAL 23 CO -0.15 0.05 -0.17 0.50 0.02 0.00 0.00 177.57 177.82 1x58 h LYS 24 N 0.00 0.32 0.00 1.57 3.11 -1.32 -1.80 116.57 118.44 1x58 h LYS 24 Ca -0.00 -0.19 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 1x58 h LYS 24 Cb 0.12 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1x58 h LYS 24 CO 0.01 0.76 -1.52 -2.37 -2.81 0.00 0.00 179.45 173.51 1x58 n THR 25 N -4.55 0.35 -0.02 1.00 5.66 -0.67 -4.42 114.28 111.63 1x58 n THR 25 Ca -0.07 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1x58 n THR 25 Cb 0.39 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1x58 n THR 25 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1x58 n MET 26 N -2.48 5.08 0.00 1.09 2.81 0.53 -5.09 117.12 119.06 1x58 n MET 26 Ca -0.03 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1x58 n MET 26 Cb 0.58 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.65 1x58 n MET 26 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x58 n GLY 27 N 0.73 0.50 0.23 3.03 0.00 -0.68 -3.94 105.19 105.08 1x58 n GLY 27 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1x58 n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x58 n ASN 28 N -2.04 0.32 -4.55 1.61 3.02 -1.26 -4.19 115.26 108.16 1x58 n ASN 28 Ca 0.00 -1.35 -0.40 0.00 -0.03 0.00 0.00 54.58 52.79 1x58 n ASN 28 Cb 0.00 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1x58 s HIS 29 N -1.53 2.28 0.03 3.10 3.76 -1.25 -4.81 115.29 116.86 1x58 s HIS 29 Ca 0.00 -0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 1x58 s HIS 29 Cb 0.00 -4.58 -0.24 0.00 1.11 0.00 0.00 32.58 28.87 1x58 s HIS 29 CO 0.00 -2.05 1.12 -1.49 -0.85 0.00 0.00 174.74 171.48 1x58 h TRP 30 N 10.45 0.80 -0.75 1.40 4.06 -1.90 -1.66 115.95 128.35 1x58 h TRP 30 Ca -0.13 -0.44 0.02 0.00 2.06 0.00 0.00 58.89 60.39 1x58 h TRP 30 Cb 1.05 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 29.08 1x58 h TRP 30 CO 1.17 1.27 0.49 -0.97 -3.56 0.00 0.00 178.44 176.84 1x58 h ASN 31 N 0.10 0.82 0.43 -3.49 -0.00 -1.87 -1.58 115.58 109.99 1x58 h ASN 31 Ca -0.11 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.16 1x58 h ASN 31 Cb 1.51 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 39.64 1x58 h ASN 31 CO 0.16 0.58 -0.21 0.28 -0.00 0.00 0.00 177.43 178.25 1x58 h SER 32 N 0.97 -0.49 -0.73 1.15 0.02 -1.95 -3.26 113.55 109.27 1x58 h SER 32 Ca 0.29 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1x58 h SER 32 Cb -0.05 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1x58 h SER 32 CO -0.09 -0.32 0.42 0.40 -1.14 0.00 0.00 176.83 176.10 1x58 h ILE 33 N -0.61 0.99 0.00 3.27 2.04 -0.88 0.33 117.51 122.64 1x58 h ILE 33 Ca -0.06 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1x58 h ILE 33 Cb 0.46 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1x58 h ILE 33 CO 0.10 0.14 0.00 -0.11 0.00 0.00 0.00 178.15 178.28 1x58 n LEU 34 N -4.74 0.61 -0.04 1.44 0.00 -0.63 -1.53 117.00 112.11 1x58 n LEU 34 Ca 0.10 0.76 -0.04 0.00 0.00 0.00 0.00 56.01 56.82 1x58 n LEU 34 Cb 0.18 -0.80 -0.08 0.00 0.00 0.00 0.00 43.42 42.72 1x58 n LEU 34 CO 0.29 -0.90 -0.80 0.79 0.00 0.00 0.00 177.39 176.77 1x58 n TRP 35 N -2.29 0.00 0.28 1.96 8.01 -0.86 -4.53 117.44 120.01 1x58 n TRP 35 Ca -0.01 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.37 1x58 n TRP 35 Cb 0.07 -0.46 0.98 0.00 -2.01 0.00 0.00 31.31 29.89 1x58 n TRP 35 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1x58 h SER 36 N 0.00 0.00 -5.15 -0.99 0.87 0.13 -3.43 113.55 104.98 1x58 h SER 36 Ca -0.24 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.21 1x58 h SER 36 Cb 1.51 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.31 1x58 h SER 36 CO 0.01 0.00 -0.48 -0.36 -0.53 0.00 0.00 176.83 175.47 1x58 s PHE 37 N -3.91 0.23 -0.42 2.24 0.40 -1.14 -5.06 117.98 110.32 1x58 s PHE 37 Ca -0.04 -0.63 -0.29 0.00 -0.60 0.00 0.00 56.93 55.37 1x58 s PHE 37 Cb 0.11 -0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.50 1x58 s PHE 37 CO 0.35 -0.45 1.39 -1.25 0.70 0.00 0.00 175.22 175.96 1x58 s PRO 38 N -3.39 3.57 0.36 0.24 0.04 -1.26 -4.82 135.00 129.74 1x58 s PRO 38 Ca 0.02 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.03 1x58 s PRO 38 Cb 0.03 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 1x58 s PRO 38 CO -0.08 -1.57 0.13 -0.06 0.04 0.00 0.00 177.00 175.45 1x58 s PHE 39 N 5.39 2.64 0.67 0.56 0.08 -1.26 -4.81 117.98 121.25 1x58 s PHE 39 Ca 0.60 -0.45 -0.17 0.00 0.12 0.00 0.00 56.93 57.03 1x58 s PHE 39 Cb -0.13 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1x58 s PHE 39 CO 0.33 0.32 1.05 1.04 -0.10 0.00 0.00 175.22 177.85 1x58 n GLN 40 N -1.13 0.76 -2.33 0.44 6.02 -1.26 -4.94 117.38 114.93 1x58 n GLN 40 Ca -0.03 0.31 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 1x58 n GLN 40 Cb 0.62 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.58 1x58 n GLN 40 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1x58 s LYS 41 N -3.18 4.29 0.00 -1.09 3.01 -1.26 -2.84 119.74 118.67 1x58 s LYS 41 Ca 0.77 1.87 0.00 0.00 -1.01 0.00 0.00 55.97 57.60 1x58 s LYS 41 Cb -0.37 -2.89 0.00 0.00 -1.01 0.00 0.00 37.83 33.56 1x58 s LYS 41 CO 0.47 -0.13 0.00 0.41 0.51 0.00 0.00 175.35 176.61 1x58 n GLY 42 N 0.80 0.27 3.63 -3.33 0.00 -1.26 -5.01 105.19 100.29 1x58 n GLY 42 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1x58 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x58 s ARG 43 N -0.99 0.42 0.27 1.61 1.81 -1.13 -5.07 118.95 115.86 1x58 s ARG 43 Ca 0.00 1.01 0.11 0.00 -1.72 0.00 0.00 55.73 55.14 1x58 s ARG 43 Cb 0.00 -1.70 -0.05 0.00 -0.45 0.00 0.00 34.95 32.75 1x58 s ARG 43 CO 0.00 -2.87 -0.20 1.03 -0.68 0.00 0.00 175.30 172.58 1x58 s ARG 44 N -4.70 1.63 0.29 3.54 0.52 -1.26 -5.04 118.95 113.93 1x58 s ARG 44 Ca 0.66 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1x58 s ARG 44 Cb -0.22 -1.70 0.61 0.00 0.52 0.00 0.00 34.95 34.16 1x58 s ARG 44 CO 0.60 0.32 1.81 0.00 0.02 0.00 0.00 175.30 178.04 1x58 h ALA 45 N 2.37 1.53 0.00 2.13 0.00 -1.94 -1.89 119.26 121.46 1x58 h ALA 45 Ca -0.40 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1x58 h ALA 45 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x58 h ALA 45 CO 0.59 0.10 -0.10 -0.39 0.00 0.00 0.00 179.25 179.45 1x58 h VAL 46 N 0.88 0.87 -0.44 0.00 -1.51 -1.96 -2.05 116.25 112.03 1x58 h VAL 46 Ca 0.52 -0.38 -0.02 0.00 -1.23 0.00 0.00 66.70 65.58 1x58 h VAL 46 Cb 0.64 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 1x58 h VAL 46 CO -0.31 0.10 0.17 0.44 -1.23 0.00 0.00 177.57 176.74 1x58 h ASP 47 N 0.00 0.57 -0.21 4.19 3.32 -1.75 0.17 116.42 122.71 1x58 h ASP 47 Ca -0.00 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1x58 h ASP 47 Cb 0.21 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1x58 h ASP 47 CO 0.01 0.52 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.96 1x58 h LEU 48 N 0.63 0.39 0.10 1.55 3.38 -1.49 -0.81 115.31 119.06 1x58 h LEU 48 Ca 0.15 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1x58 h LEU 48 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1x58 h LEU 48 CO -0.01 0.64 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 1x58 h ALA 49 N 0.76 -0.13 -0.34 1.53 0.00 -1.28 0.10 119.26 119.90 1x58 h ALA 49 Ca 0.06 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1x58 h ALA 49 Cb 0.46 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1x58 h ALA 49 CO 0.02 -0.52 0.06 1.25 0.00 0.00 0.00 179.25 180.05 1x58 h HIS 50 N -0.23 0.09 -0.18 0.00 6.17 -0.73 0.31 115.15 120.58 1x58 h HIS 50 Ca -0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 1x58 h HIS 50 Cb 0.19 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.12 1x58 h HIS 50 CO -0.04 0.01 0.09 -0.22 0.71 0.00 0.00 177.93 178.48 1x58 h LYS 51 N 0.17 0.25 -0.50 5.26 1.63 -0.89 -1.30 116.57 121.19 1x58 h LYS 51 Ca 0.16 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1x58 h LYS 51 Cb 0.19 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 1x58 h LYS 51 CO -0.22 0.26 0.19 -0.92 -3.45 0.00 0.00 179.45 175.31 1x58 h TYR 52 N 0.18 0.33 0.02 1.91 3.20 -0.39 0.26 116.97 122.48 1x58 h TYR 52 Ca 0.06 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1x58 h TYR 52 Cb 0.08 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1x58 h TYR 52 CO -0.04 0.12 -0.29 0.45 -1.64 0.00 0.00 178.16 176.76 1x58 h HIS 53 N 0.37 -0.78 -0.93 -3.82 3.86 -0.77 -0.14 115.15 112.93 1x58 h HIS 53 Ca 0.24 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.57 1x58 h HIS 53 Cb 0.24 0.34 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 1x58 h HIS 53 CO -0.15 -0.38 0.60 0.00 0.86 0.00 0.00 177.93 178.85 1x58 h ARG 54 N -0.45 0.91 -0.44 2.45 2.47 -0.31 -0.95 114.38 118.05 1x58 h ARG 54 Ca 0.06 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 1x58 h ARG 54 Cb 0.52 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1x58 h ARG 54 CO -0.23 0.60 -0.25 -0.07 0.56 0.00 0.00 179.97 180.58 1x58 h LEU 55 N 0.93 0.95 -1.10 3.04 3.38 0.17 -2.71 115.31 119.97 1x58 h LEU 55 Ca 0.43 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1x58 h LEU 55 Cb 0.41 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1x58 h LEU 55 CO -0.20 1.14 -0.03 0.16 0.09 0.00 0.00 178.44 179.61 1x58 h ILE 56 N 0.79 0.06 0.00 1.22 3.07 -0.38 -3.47 117.51 118.80 1x58 h ILE 56 Ca 0.10 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.82 1x58 h ILE 56 Cb 0.81 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 1x58 h ILE 56 CO 0.07 0.03 0.00 -0.24 -1.05 0.00 0.00 178.15 176.95 1x58 n SER 57 N -3.12 -4.62 -3.64 2.16 2.88 -0.42 -4.98 113.62 101.87 1x58 n SER 57 Ca 0.01 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.34 1x58 n SER 57 Cb 0.37 -2.76 0.14 0.00 -0.75 0.00 0.00 64.21 61.21 1x58 n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x58 n GLY 58 N -0.12 -0.84 3.58 0.46 0.00 -1.26 -4.98 105.19 102.04 1x58 n GLY 58 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1x58 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x58 s PRO 59 N -5.08 -0.52 0.00 1.61 0.04 -1.26 -4.19 135.00 125.60 1x58 s PRO 59 Ca 0.57 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1x58 s PRO 59 Cb -0.02 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1x58 s PRO 59 CO 0.40 -3.35 0.00 0.45 0.04 0.00 0.00 177.00 174.54 1x58 n SER 60 N -4.60 -1.44 -1.57 6.66 2.88 -1.26 -4.65 113.62 109.64 1x58 n SER 60 Ca 0.06 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.40 1x58 n SER 60 Cb 0.57 -0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 1x58 n SER 60 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x58 n SER 61 N 0.00 -5.23 0.00 -3.46 7.64 -1.26 -4.95 113.62 106.35 1x58 n SER 61 Ca 0.00 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1x58 n SER 61 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64