#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 0.23 -3.80 1.61 7.64 -1.26 -5.06 113.62 112.98 1x58 n SER 2 Ca 0.00 -0.62 -0.13 0.00 1.01 0.00 0.00 58.87 59.14 1x58 n SER 2 Cb 0.00 0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.29 1x58 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x58 s SER 3 N -0.22 -0.17 -0.45 6.43 0.01 -1.26 -5.10 113.70 112.94 1x58 s SER 3 Ca 0.00 0.34 0.06 0.00 1.31 0.00 0.00 55.95 57.66 1x58 s SER 3 Cb 0.00 0.33 0.31 0.00 0.21 0.00 0.00 66.02 66.87 1x58 s SER 3 CO 0.00 -0.07 1.13 0.61 0.41 0.00 0.00 173.24 175.32 1x58 n GLY 4 N 3.16 0.35 3.56 3.44 0.00 -1.26 -5.11 105.19 109.33 1x58 n GLY 4 Ca -0.14 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 0.49 2.69 -3.93 1.61 2.88 -1.26 -4.92 113.62 111.17 1x58 n SER 5 Ca 0.05 -0.05 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 1x58 n SER 5 Cb 0.70 -1.52 -0.05 0.00 -0.75 0.00 0.00 64.21 62.60 1x58 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x58 s SER 6 N 9.74 -0.14 0.58 -3.46 0.01 -1.26 -5.16 113.70 114.01 1x58 s SER 6 Ca 1.02 -0.80 -0.13 0.00 1.31 0.00 0.00 55.95 57.35 1x58 s SER 6 Cb -0.36 0.60 -0.05 0.00 0.21 0.00 0.00 66.02 66.42 1x58 s SER 6 CO 0.34 -1.15 1.02 -0.83 0.41 0.00 0.00 173.24 173.02 1x58 s GLY 7 N -2.98 1.83 -0.00 3.44 0.00 -1.26 -5.01 107.32 103.35 1x58 s GLY 7 Ca 0.18 0.04 0.21 0.00 0.00 0.00 0.00 44.72 45.16 1x58 s GLY 7 CO 0.06 0.32 0.92 -2.13 0.00 0.00 0.00 173.10 172.28 1x58 n ARG 8 N -2.29 0.04 -2.69 2.90 0.63 -1.26 -4.74 116.66 109.25 1x58 n ARG 8 Ca 0.06 -0.01 -0.43 0.00 -0.92 0.00 0.00 57.85 56.56 1x58 n ARG 8 Cb 0.54 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.91 1x58 n ARG 8 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1x58 s LYS 9 N -3.03 3.47 0.00 -0.14 1.02 -1.26 -3.81 119.74 115.99 1x58 s LYS 9 Ca 0.07 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1x58 s LYS 9 Cb 0.16 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1x58 s LYS 9 CO 0.86 -1.55 0.00 -3.47 -0.92 0.00 0.00 175.35 170.27 1x58 n ASP 10 N 7.95 0.00 -3.80 2.83 2.03 -1.26 -5.03 116.55 119.27 1x58 n ASP 10 Ca 0.06 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.24 1x58 n ASP 10 Cb 0.48 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.74 1x58 n ASP 10 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1x58 s PHE 11 N -0.00 -0.04 0.00 -0.67 0.40 -1.25 -5.03 117.98 111.39 1x58 s PHE 11 Ca 0.00 0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1x58 s PHE 11 Cb 0.00 -0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.43 1x58 s PHE 11 CO 0.00 -0.08 0.00 0.25 0.70 0.00 0.00 175.22 176.09 1x58 n THR 12 N 3.71 0.00 0.19 0.64 -2.24 -1.25 -4.36 114.28 110.97 1x58 n THR 12 Ca -0.21 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.64 1x58 n THR 12 Cb 0.54 -1.79 0.30 0.00 -2.10 0.00 0.00 70.33 67.28 1x58 n THR 12 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1x58 h LYS 13 N 0.00 0.00 0.00 -0.78 1.57 -1.97 -3.30 116.57 112.09 1x58 h LYS 13 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1x58 h LYS 13 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x58 h LYS 13 CO 0.00 0.33 -0.06 0.93 -0.57 0.00 0.00 179.45 180.08 1x58 h GLU 14 N 0.00 0.03 -0.87 3.15 4.39 -1.99 -2.30 114.58 116.99 1x58 h GLU 14 Ca -0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1x58 h GLU 14 Cb 0.96 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 1x58 h GLU 14 CO 0.04 0.89 0.58 0.93 -1.16 0.00 0.00 179.01 180.29 1x58 h GLU 15 N -0.80 1.15 -0.81 2.33 4.39 -1.91 -0.54 114.58 118.39 1x58 h GLU 15 Ca -0.01 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x58 h GLU 15 Cb 0.91 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1x58 h GLU 15 CO 0.01 0.76 0.54 0.28 -1.16 0.00 0.00 179.01 179.44 1x58 h VAL 16 N 1.18 1.19 0.18 3.13 2.07 -1.64 0.51 116.25 122.88 1x58 h VAL 16 Ca 0.32 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1x58 h VAL 16 Cb -0.13 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 1x58 h VAL 16 CO -0.07 0.20 -0.26 -1.13 0.02 0.00 0.00 177.57 176.33 1x58 h ASN 17 N 1.08 -0.72 0.38 0.57 -0.73 -0.51 -1.63 115.58 114.03 1x58 h ASN 17 Ca 0.30 0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.51 1x58 h ASN 17 Cb -0.10 0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1x58 h ASN 17 CO -0.07 -0.36 -0.20 1.88 -0.37 0.00 0.00 177.43 178.31 1x58 h TYR 18 N -0.50 0.00 0.21 0.67 0.05 -0.96 -0.79 116.97 115.65 1x58 h TYR 18 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1x58 h TYR 18 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1x58 h TYR 18 CO -0.21 0.20 -0.10 1.25 -1.05 0.00 0.00 178.16 178.25 1x58 h LEU 19 N 0.00 -0.24 -0.54 3.88 7.12 -0.31 0.32 115.31 125.54 1x58 h LEU 19 Ca -0.00 -0.09 0.02 0.00 0.13 0.00 0.00 57.88 57.93 1x58 h LEU 19 Cb 0.44 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 1x58 h LEU 19 CO 0.03 -0.06 0.34 -0.26 -0.13 0.00 0.00 178.44 178.36 1x58 h PHE 20 N -0.42 0.64 -0.26 1.25 0.04 -1.05 -2.00 116.94 115.13 1x58 h PHE 20 Ca -0.03 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.82 1x58 h PHE 20 Cb 0.32 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 1x58 h PHE 20 CO -0.02 0.38 -0.23 1.25 -0.60 0.00 0.00 178.31 179.09 1x58 h HIS 21 N 0.68 -0.60 0.60 -0.55 2.76 -0.81 -1.68 115.15 115.55 1x58 h HIS 21 Ca 0.21 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 1x58 h HIS 21 Cb -0.03 0.30 0.01 0.00 1.55 0.00 0.00 27.41 29.24 1x58 h HIS 21 CO -0.05 -0.31 -0.29 0.78 -1.30 0.00 0.00 177.93 176.77 1x58 h GLY 22 N -0.22 -0.83 1.53 5.26 0.00 -0.88 -3.24 103.07 104.69 1x58 h GLY 22 Ca 0.14 0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.83 1x58 h GLY 22 CO -0.39 -0.30 0.19 -2.08 0.00 0.00 0.00 176.54 173.95 1x58 h VAL 23 N -1.12 0.47 -0.45 4.60 2.07 -1.24 0.95 116.25 121.53 1x58 h VAL 23 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1x58 h VAL 23 Cb 0.66 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1x58 h VAL 23 CO 0.13 0.00 0.28 0.50 0.02 0.00 0.00 177.57 178.51 1x58 h LYS 24 N 0.00 0.55 0.00 1.57 3.11 -1.32 -0.38 116.57 120.10 1x58 h LYS 24 Ca 0.08 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.83 1x58 h LYS 24 Cb 0.45 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.55 1x58 h LYS 24 CO -0.00 0.37 -1.73 -2.37 -2.81 0.00 0.00 179.45 172.90 1x58 n THR 25 N -4.81 0.42 0.16 1.00 5.66 -0.52 -4.65 114.28 111.55 1x58 n THR 25 Ca 0.02 -0.57 0.02 0.00 -3.05 0.00 0.00 64.05 60.47 1x58 n THR 25 Cb 0.05 -0.21 0.01 0.00 -1.55 0.00 0.00 70.33 68.63 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 0.74 0.00 1.09 2.81 0.21 -5.07 117.12 114.43 1x58 n MET 26 Ca -0.07 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1x58 n MET 26 Cb 0.65 -0.99 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 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 0.38 2.11 1.01 3.03 0.00 -0.16 -2.11 105.19 109.44 1x58 n GLY 27 Ca 0.02 0.42 0.09 0.00 0.00 0.00 0.00 46.02 46.55 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 7.74 3.38 -4.55 1.61 4.13 -1.26 -4.49 115.26 121.82 1x58 n ASN 28 Ca 0.00 -1.97 -0.39 0.00 1.68 0.00 0.00 54.58 53.91 1x58 n ASN 28 Cb 0.00 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 37.88 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1x58 s HIS 29 N -1.07 2.15 -0.04 3.10 3.76 -0.90 -4.82 115.29 117.47 1x58 s HIS 29 Ca 0.36 0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 55.08 1x58 s HIS 29 Cb 0.19 -4.46 -0.29 0.00 1.11 0.00 0.00 32.58 29.14 1x58 s HIS 29 CO 0.26 -2.06 0.95 -1.49 -0.85 0.00 0.00 174.74 171.55 1x58 h TRP 30 N 11.21 0.53 -0.81 1.40 4.06 -1.90 -2.82 115.95 127.61 1x58 h TRP 30 Ca -0.12 -0.35 -0.01 0.00 2.06 0.00 0.00 58.89 60.47 1x58 h TRP 30 Cb 1.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.15 1x58 h TRP 30 CO 1.16 1.24 0.46 -0.97 -3.56 0.00 0.00 178.44 176.77 1x58 h ASN 31 N -0.33 1.00 0.16 -3.49 -1.24 -1.87 -0.87 115.58 108.94 1x58 h ASN 31 Ca -0.11 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 56.82 1x58 h ASN 31 Cb 1.50 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 40.27 1x58 h ASN 31 CO 0.13 0.80 -0.23 0.28 -1.29 0.00 0.00 177.43 177.13 1x58 h SER 32 N 1.13 -0.62 -0.66 1.15 0.02 -1.97 -2.74 113.55 109.85 1x58 h SER 32 Ca 0.29 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.41 1x58 h SER 32 Cb 0.01 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.69 1x58 h SER 32 CO -0.05 -0.32 0.26 0.40 -1.14 0.00 0.00 176.83 175.98 1x58 h ILE 33 N -0.45 0.75 -0.22 3.27 2.04 -1.19 0.59 117.51 122.30 1x58 h ILE 33 Ca 0.02 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1x58 h ILE 33 Cb 0.45 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1x58 h ILE 33 CO -0.10 0.08 0.15 0.25 0.00 0.00 0.00 178.15 178.53 1x58 h LEU 34 N 0.44 0.12 0.09 1.44 6.46 -0.88 -0.46 115.31 122.52 1x58 h LEU 34 Ca 0.34 -0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.79 1x58 h LEU 34 Cb 0.44 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1x58 h LEU 34 CO -0.33 0.08 -1.66 -0.50 -0.62 0.00 0.00 178.44 175.41 1x58 h TRP 35 N 0.14 0.33 -0.10 1.25 6.55 -1.19 -3.40 115.95 119.52 1x58 h TRP 35 Ca 0.09 -0.24 -0.00 0.00 0.95 0.00 0.00 58.89 59.69 1x58 h TRP 35 Cb 0.21 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 1x58 h TRP 35 CO -0.00 1.37 0.05 1.03 -1.05 0.00 0.00 178.44 179.84 1x58 h SER 36 N 0.05 0.12 -4.62 -3.49 0.87 0.78 -3.44 113.55 103.81 1x58 h SER 36 Ca -0.28 -0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.01 1x58 h SER 36 Cb 2.01 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 63.76 1x58 h SER 36 CO 0.12 0.10 -0.72 -0.36 -0.53 0.00 0.00 176.83 175.45 1x58 s PHE 37 N -5.14 0.84 -0.49 2.24 0.40 -0.94 -5.06 117.98 109.83 1x58 s PHE 37 Ca -0.06 -0.70 -0.28 0.00 -0.60 0.00 0.00 56.93 55.29 1x58 s PHE 37 Cb 0.17 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 43.24 1x58 s PHE 37 CO 0.69 -0.09 1.11 -1.25 0.70 0.00 0.00 175.22 176.38 1x58 s PRO 38 N -2.74 3.65 0.51 0.24 0.04 -1.26 -4.82 135.00 130.62 1x58 s PRO 38 Ca 0.02 0.43 0.06 0.00 0.04 0.00 0.00 61.00 61.56 1x58 s PRO 38 Cb -0.02 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.61 1x58 s PRO 38 CO -0.02 -1.41 0.40 -0.06 0.04 0.00 0.00 177.00 175.95 1x58 s PHE 39 N 4.43 1.90 0.81 0.56 0.08 -1.26 -4.90 117.98 119.60 1x58 s PHE 39 Ca 0.45 -0.75 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 1x58 s PHE 39 Cb -0.08 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1x58 s PHE 39 CO 0.30 -0.39 0.91 1.04 -0.10 0.00 0.00 175.22 176.98 1x58 n GLN 40 N -1.71 0.15 -2.29 0.44 6.02 -1.26 -4.88 117.38 113.85 1x58 n GLN 40 Ca 0.00 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1x58 n GLN 40 Cb 0.64 -2.20 -0.02 0.00 1.02 0.00 0.00 30.24 29.68 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 -3.69 4.25 -0.03 -1.09 3.01 -1.26 -3.35 119.74 117.58 1x58 s LYS 41 Ca 0.69 1.84 0.00 0.00 -1.01 0.00 0.00 55.97 57.49 1x58 s LYS 41 Cb -0.29 -3.75 0.00 0.00 -1.01 0.00 0.00 37.83 32.78 1x58 s LYS 41 CO 0.55 -0.68 0.00 0.41 0.51 0.00 0.00 175.35 176.14 1x58 n GLY 42 N 3.70 0.39 3.52 -3.33 0.00 -1.26 -5.04 105.19 103.18 1x58 n GLY 42 Ca 0.14 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1x58 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x58 n ARG 43 N -2.63 -1.08 -3.45 1.61 5.12 -1.21 -5.08 116.66 109.95 1x58 n ARG 43 Ca -0.00 -0.27 -0.19 0.00 -1.93 0.00 0.00 57.85 55.46 1x58 n ARG 43 Cb 0.10 -2.14 -0.01 0.00 -1.16 0.00 0.00 32.46 29.25 1x58 n ARG 43 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x58 s ARG 44 N -4.23 2.81 0.32 5.56 0.52 -1.26 -5.02 118.95 117.66 1x58 s ARG 44 Ca 0.64 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1x58 s ARG 44 Cb -0.22 -2.62 0.56 0.00 0.52 0.00 0.00 34.95 33.19 1x58 s ARG 44 CO 0.63 -0.08 1.85 0.00 0.02 0.00 0.00 175.30 177.72 1x58 h ALA 45 N 0.94 1.32 0.00 2.13 0.00 -1.95 -2.97 119.26 118.72 1x58 h ALA 45 Ca -0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1x58 h ALA 45 Cb 1.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x58 h ALA 45 CO 0.53 0.46 -0.11 -0.39 0.00 0.00 0.00 179.25 179.74 1x58 h VAL 46 N 0.51 1.02 -0.76 0.00 -1.51 -1.95 -1.58 116.25 111.97 1x58 h VAL 46 Ca 0.10 -0.40 0.08 0.00 -1.23 0.00 0.00 66.70 65.25 1x58 h VAL 46 Cb 0.38 1.22 -0.06 0.00 -2.13 0.00 0.00 31.29 30.70 1x58 h VAL 46 CO 0.02 0.11 0.43 0.44 -1.23 0.00 0.00 177.57 177.34 1x58 h ASP 47 N 0.00 0.63 -0.32 4.19 3.32 -1.92 0.24 116.42 122.55 1x58 h ASP 47 Ca -0.00 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1x58 h ASP 47 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1x58 h ASP 47 CO 0.01 0.38 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.79 1x58 h LEU 48 N 0.75 0.60 -0.31 1.55 3.38 -1.42 0.22 115.31 120.08 1x58 h LEU 48 Ca 0.35 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1x58 h LEU 48 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1x58 h LEU 48 CO -0.22 0.81 0.10 0.00 0.09 0.00 0.00 178.44 179.23 1x58 h ALA 49 N 0.82 0.40 0.30 1.53 0.00 -1.19 1.00 119.26 122.11 1x58 h ALA 49 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1x58 h ALA 49 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x58 h ALA 49 CO 0.03 0.03 -0.14 1.25 0.00 0.00 0.00 179.25 180.41 1x58 h HIS 50 N 0.34 -0.37 -1.01 0.00 6.17 -0.48 -0.89 115.15 118.91 1x58 h HIS 50 Ca 0.10 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.18 1x58 h HIS 50 Cb 0.23 0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.23 1x58 h HIS 50 CO 0.00 -0.22 0.67 -0.22 0.71 0.00 0.00 177.93 178.88 1x58 h LYS 51 N -0.42 1.32 -0.32 5.26 1.63 -0.83 -1.54 116.57 121.67 1x58 h LYS 51 Ca -0.04 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1x58 h LYS 51 Cb 0.32 -0.30 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1x58 h LYS 51 CO 0.07 0.88 0.16 -0.92 -3.45 0.00 0.00 179.45 176.18 1x58 h TYR 52 N 1.36 0.46 -0.16 1.91 3.20 -0.47 0.33 116.97 123.60 1x58 h TYR 52 Ca 0.37 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.27 1x58 h TYR 52 Cb -0.15 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 37.91 1x58 h TYR 52 CO -0.00 0.40 -0.28 0.45 -1.64 0.00 0.00 178.16 177.09 1x58 h HIS 53 N 0.39 -0.77 -0.86 -3.82 3.86 -0.89 -1.02 115.15 112.04 1x58 h HIS 53 Ca 0.11 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 59.48 1x58 h HIS 53 Cb 0.11 0.36 -0.08 0.00 1.06 0.00 0.00 27.41 28.86 1x58 h HIS 53 CO -0.02 -0.36 0.48 0.00 0.86 0.00 0.00 177.93 178.89 1x58 h ARG 54 N -0.34 0.72 -0.47 2.45 2.47 -0.60 -0.03 114.38 118.59 1x58 h ARG 54 Ca 0.11 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.70 1x58 h ARG 54 Cb 0.50 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1x58 h ARG 54 CO -0.35 0.48 -0.04 -0.07 0.56 0.00 0.00 179.97 180.55 1x58 h LEU 55 N 0.75 0.78 -0.00 3.04 3.38 0.57 -3.10 115.31 120.73 1x58 h LEU 55 Ca 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1x58 h LEU 55 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1x58 h LEU 55 CO -0.30 0.87 -0.10 0.16 0.09 0.00 0.00 178.44 179.16 1x58 h ILE 56 N 0.74 1.59 -2.24 1.22 3.07 -0.58 -3.47 117.51 117.84 1x58 h ILE 56 Ca 0.14 -1.86 -0.04 0.00 1.55 0.00 0.00 64.86 64.65 1x58 h ILE 56 Cb 0.51 2.81 -0.23 0.00 -0.27 0.00 0.00 36.82 39.63 1x58 h ILE 56 CO 0.03 0.49 -0.07 -0.55 -1.05 0.00 0.00 178.15 177.00 1x58 s SER 57 N -6.12 -0.75 0.57 2.16 0.15 -0.08 -5.12 113.70 104.51 1x58 s SER 57 Ca -0.17 1.28 -0.18 0.00 0.70 0.00 0.00 55.95 57.58 1x58 s SER 57 Cb -0.00 1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 65.45 1x58 s SER 57 CO 0.71 -0.22 1.09 -0.83 1.20 0.00 0.00 173.24 175.19 1x58 s GLY 58 N 1.20 2.42 0.11 9.45 0.00 -1.21 -3.68 107.32 115.60 1x58 s GLY 58 Ca -0.07 0.65 0.27 0.00 0.00 0.00 0.00 44.72 45.56 1x58 s GLY 58 CO -0.12 0.99 1.75 -1.55 0.00 0.00 0.00 173.10 174.16 1x58 n PRO 59 N -1.60 0.16 -0.41 2.90 -0.04 -1.26 -4.05 135.00 130.69 1x58 n PRO 59 Ca 0.10 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1x58 n PRO 59 Cb 0.52 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1x58 n PRO 59 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x58 n SER 60 N -1.94 0.00 0.32 3.54 2.88 -1.26 -4.92 113.62 112.25 1x58 n SER 60 Ca 0.06 -1.63 -0.16 0.00 -1.33 0.00 0.00 58.87 55.81 1x58 n SER 60 Cb 0.39 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 1x58 n SER 60 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x58 h SER 61 N 0.00 -0.70 0.00 -3.46 0.02 -1.98 -3.57 113.55 103.86 1x58 h SER 61 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1x58 h SER 61 Cb 1.25 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1x58 h SER 61 CO 0.00 -0.38 0.00 0.61 -1.14 0.00 0.00 176.83 175.92