#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x58 s SER 2 N 0.00 -0.59 0.21 1.61 0.15 -1.26 -5.16 113.70 108.66 1x58 s SER 2 Ca 0.00 0.71 -0.04 0.00 0.70 0.00 0.00 55.95 57.32 1x58 s SER 2 Cb 0.00 1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 65.95 1x58 s SER 2 CO 0.00 -0.27 0.22 -0.55 1.20 0.00 0.00 173.24 173.84 1x58 s SER 3 N 2.71 0.09 0.00 5.45 0.15 -1.26 -5.12 113.70 115.73 1x58 s SER 3 Ca 0.12 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1x58 s SER 3 Cb -0.15 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1x58 s SER 3 CO -0.18 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1x58 n GLY 4 N -0.29 -0.04 1.45 9.45 0.00 -1.26 -4.92 105.19 109.58 1x58 n GLY 4 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.21 4.25 -3.88 1.61 2.88 -1.26 -4.56 113.62 110.46 1x58 n SER 5 Ca 0.00 -2.56 -0.28 0.00 -1.33 0.00 0.00 58.87 54.70 1x58 n SER 5 Cb 0.00 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.67 4.53 -0.04 -3.46 0.01 -1.26 -5.03 113.70 107.78 1x58 s SER 6 Ca 0.40 -3.62 0.06 0.00 1.31 0.00 0.00 55.95 54.10 1x58 s SER 6 Cb 0.29 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.95 1x58 s SER 6 CO 0.15 -0.12 -0.22 -0.83 0.41 0.00 0.00 173.24 172.63 1x58 s GLY 7 N -1.10 1.10 0.00 3.44 0.00 -1.26 -4.98 107.32 104.51 1x58 s GLY 7 Ca 0.23 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1x58 s GLY 7 CO -0.13 -0.62 0.00 -2.13 0.00 0.00 0.00 173.10 170.22 1x58 n ARG 8 N 2.83 0.00 -4.09 2.90 3.00 -1.26 -5.11 116.66 114.93 1x58 n ARG 8 Ca -0.17 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.49 1x58 n ARG 8 Cb 0.52 -0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.91 1x58 n ARG 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x58 n LYS 9 N -2.44 0.45 0.00 -0.14 5.02 -1.26 -4.94 118.16 114.85 1x58 n LYS 9 Ca 0.00 -3.08 0.00 0.00 -2.02 0.00 0.00 58.31 53.21 1x58 n LYS 9 Cb 0.00 2.24 0.00 0.00 -0.02 0.00 0.00 35.03 37.25 1x58 n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x58 n ASP 10 N -1.73 -0.29 -4.79 4.39 2.03 -1.26 -4.62 116.55 110.28 1x58 n ASP 10 Ca 0.03 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.96 1x58 n ASP 10 Cb 0.55 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.89 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 3.68 0.98 -0.67 0.40 -1.26 -5.03 117.98 116.07 1x58 s PHE 11 Ca 0.00 1.04 -0.12 0.00 -0.60 0.00 0.00 56.93 57.25 1x58 s PHE 11 Cb 0.00 -2.45 0.18 0.00 0.51 0.00 0.00 43.02 41.26 1x58 s PHE 11 CO 0.00 0.46 1.09 0.95 0.70 0.00 0.00 175.22 178.41 1x58 s THR 12 N -0.48 2.29 0.41 0.64 -4.23 -1.26 -4.79 115.64 108.22 1x58 s THR 12 Ca 0.26 0.09 0.10 0.00 -1.18 0.00 0.00 61.69 60.97 1x58 s THR 12 Cb -0.17 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.46 1x58 s THR 12 CO 0.14 -0.12 2.00 0.50 -0.54 0.00 0.00 174.62 176.60 1x58 h LYS 13 N -1.86 0.50 0.44 3.99 3.64 -1.98 -1.07 116.57 120.22 1x58 h LYS 13 Ca -0.53 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 1x58 h LYS 13 Cb 1.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1x58 h LYS 13 CO 0.55 0.33 -0.21 0.93 -2.27 0.00 0.00 179.45 178.78 1x58 h GLU 14 N 0.52 -0.56 -0.72 1.90 5.08 -1.99 -1.91 114.58 116.90 1x58 h GLU 14 Ca 0.24 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1x58 h GLU 14 Cb 0.29 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1x58 h GLU 14 CO -0.07 -0.32 0.45 0.93 -1.00 0.00 0.00 179.01 179.00 1x58 h GLU 15 N -0.68 0.96 -0.35 2.33 5.08 -1.74 -0.34 114.58 119.83 1x58 h GLU 15 Ca -0.06 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1x58 h GLU 15 Cb 0.50 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1x58 h GLU 15 CO 0.10 0.66 -0.07 0.28 -1.00 0.00 0.00 179.01 178.98 1x58 h VAL 16 N 0.97 1.23 0.05 3.13 2.07 -1.22 0.18 116.25 122.66 1x58 h VAL 16 Ca 0.26 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1x58 h VAL 16 Cb -0.07 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1x58 h VAL 16 CO -0.05 0.33 -0.03 0.78 0.02 0.00 0.00 177.57 178.62 1x58 h ASN 17 N 0.54 -0.06 -0.28 0.57 2.35 -0.63 -2.12 115.58 115.95 1x58 h ASN 17 Ca 0.10 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1x58 h ASN 17 Cb 0.45 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1x58 h ASN 17 CO 0.02 0.13 0.15 1.88 -1.65 0.00 0.00 177.43 177.97 1x58 h TYR 18 N -0.26 0.42 0.54 1.19 0.05 -0.65 0.21 116.97 118.47 1x58 h TYR 18 Ca -0.01 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1x58 h TYR 18 Cb 0.23 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1x58 h TYR 18 CO -0.01 0.32 -0.32 1.25 -1.05 0.00 0.00 178.16 178.35 1x58 h LEU 19 N 0.43 -0.79 -0.52 3.88 7.12 -0.53 0.18 115.31 125.09 1x58 h LEU 19 Ca 0.11 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1x58 h LEU 19 Cb 0.05 0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.38 1x58 h LEU 19 CO -0.02 -0.51 0.33 -0.26 -0.13 0.00 0.00 178.44 177.86 1x58 h PHE 20 N -0.81 0.67 -0.63 1.25 0.04 -0.73 -0.36 116.94 116.36 1x58 h PHE 20 Ca -0.07 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.77 1x58 h PHE 20 Cb 0.65 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 1x58 h PHE 20 CO -0.08 0.44 0.35 0.45 -0.60 0.00 0.00 178.31 178.87 1x58 h HIS 21 N 0.70 0.64 0.41 -0.55 3.86 -0.91 -0.71 115.15 118.60 1x58 h HIS 21 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1x58 h HIS 21 Cb -0.05 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1x58 h HIS 21 CO -0.03 0.31 -0.35 0.78 0.86 0.00 0.00 177.93 179.50 1x58 h GLY 22 N 0.66 -1.08 2.00 2.45 0.00 0.17 -2.16 103.07 105.10 1x58 h GLY 22 Ca 0.28 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 48.08 1x58 h GLY 22 CO -0.17 -0.34 -0.03 -2.08 0.00 0.00 0.00 176.54 173.91 1x58 h VAL 23 N -0.75 0.23 -0.01 4.60 2.07 -0.96 0.33 116.25 121.77 1x58 h VAL 23 Ca -0.05 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1x58 h VAL 23 Cb 0.63 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1x58 h VAL 23 CO -0.01 0.03 -0.69 0.50 0.02 0.00 0.00 177.57 177.42 1x58 h LYS 24 N 0.00 0.04 0.00 1.57 3.11 -0.82 -1.13 116.57 119.34 1x58 h LYS 24 Ca -0.00 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 1x58 h LYS 24 Cb 0.19 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 1x58 h LYS 24 CO 0.00 0.71 -1.06 -2.37 -2.81 0.00 0.00 179.45 173.93 1x58 n THR 25 N -3.73 1.48 0.19 1.00 5.66 -0.48 -4.62 114.28 113.78 1x58 n THR 25 Ca -0.01 0.08 0.05 0.00 -3.05 0.00 0.00 64.05 61.12 1x58 n THR 25 Cb 0.68 -2.27 0.39 0.00 -1.55 0.00 0.00 70.33 67.57 1x58 n THR 25 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1x58 h MET 26 N -1.00 0.00 0.00 1.09 2.86 -0.55 -3.50 114.93 113.84 1x58 h MET 26 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1x58 h MET 26 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1x58 h MET 26 CO -0.08 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1x58 n GLY 27 N -0.07 1.22 0.26 8.32 0.00 -0.43 -4.16 105.19 110.34 1x58 n GLY 27 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.30 0.44 -4.50 1.61 3.02 -1.26 -4.33 115.26 107.95 1x58 n ASN 28 Ca 0.00 -1.68 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 1x58 n ASN 28 Cb 0.00 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.47 2.58 0.08 3.10 3.76 -1.26 -4.88 115.29 117.20 1x58 s HIS 29 Ca 0.00 -0.53 -0.15 0.00 -0.15 0.00 0.00 55.06 54.23 1x58 s HIS 29 Cb 0.00 -4.46 -0.13 0.00 1.11 0.00 0.00 32.58 29.10 1x58 s HIS 29 CO 0.00 -1.81 1.33 -1.49 -0.85 0.00 0.00 174.74 171.92 1x58 h TRP 30 N 9.66 0.84 -0.67 1.40 4.06 -1.91 -2.96 115.95 126.38 1x58 h TRP 30 Ca -0.17 -0.32 -0.06 0.00 2.06 0.00 0.00 58.89 60.41 1x58 h TRP 30 Cb 1.05 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 29.03 1x58 h TRP 30 CO 1.09 1.09 0.18 -0.91 -3.56 0.00 0.00 178.44 176.33 1x58 h ASN 31 N 0.35 0.99 0.03 -3.49 4.21 -1.89 -0.91 115.58 114.87 1x58 h ASN 31 Ca -0.00 -0.22 0.03 0.00 1.21 0.00 0.00 56.30 57.31 1x58 h ASN 31 Cb 1.07 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.96 1x58 h ASN 31 CO 0.10 0.96 -0.27 -1.28 -1.29 0.00 0.00 177.43 175.64 1x58 h SER 32 N 0.98 -0.81 -0.12 5.81 0.87 -1.98 -1.97 113.55 116.34 1x58 h SER 32 Ca 0.21 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.92 1x58 h SER 32 Cb 0.34 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 1x58 h SER 32 CO -0.00 -0.35 -0.16 0.40 -0.53 0.00 0.00 176.83 176.19 1x58 h ILE 33 N -0.44 0.58 -0.53 2.23 2.04 -1.29 0.27 117.51 120.38 1x58 h ILE 33 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 1x58 h ILE 33 Cb 0.51 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 1x58 h ILE 33 CO -0.22 0.00 0.12 0.25 0.00 0.00 0.00 178.15 178.30 1x58 h LEU 34 N -0.21 0.02 -0.07 1.44 6.46 -0.94 -0.77 115.31 121.25 1x58 h LEU 34 Ca 0.09 0.09 -0.25 0.00 -0.12 0.00 0.00 57.88 57.69 1x58 h LEU 34 Cb 0.34 0.12 0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1x58 h LEU 34 CO -0.24 0.04 -0.94 -0.50 -0.62 0.00 0.00 178.44 176.17 1x58 h TRP 35 N 0.26 1.04 0.00 1.25 6.55 -1.09 -3.39 115.95 120.57 1x58 h TRP 35 Ca 0.27 -0.53 0.00 0.00 0.95 0.00 0.00 58.89 59.58 1x58 h TRP 35 Cb 0.36 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1x58 h TRP 35 CO -0.22 1.36 0.00 0.45 -1.05 0.00 0.00 178.44 178.98 1x58 n SER 36 N -3.88 0.00 -4.87 -3.49 2.88 0.94 -4.83 113.62 100.37 1x58 n SER 36 Ca -0.10 0.92 -0.31 0.00 -1.33 0.00 0.00 58.87 58.06 1x58 n SER 36 Cb 0.83 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.83 1x58 n SER 36 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x58 s PHE 37 N -2.68 3.44 -0.40 0.66 0.40 -0.39 -4.99 117.98 114.02 1x58 s PHE 37 Ca 0.00 1.03 -0.29 0.00 -0.60 0.00 0.00 56.93 57.07 1x58 s PHE 37 Cb 0.00 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 41.13 1x58 s PHE 37 CO 0.00 0.01 1.40 -1.25 0.70 0.00 0.00 175.22 176.07 1x58 s PRO 38 N -3.51 3.61 0.48 0.24 0.04 -1.26 -4.78 135.00 129.81 1x58 s PRO 38 Ca 0.51 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.57 1x58 s PRO 38 Cb -0.10 -4.01 -0.00 0.00 0.04 0.00 0.00 34.50 30.42 1x58 s PRO 38 CO 0.27 -1.52 0.30 -0.06 0.04 0.00 0.00 177.00 176.03 1x58 s PHE 39 N 5.32 2.16 0.75 0.56 0.08 -1.26 -4.85 117.98 120.75 1x58 s PHE 39 Ca 0.61 -0.70 -0.14 0.00 0.12 0.00 0.00 56.93 56.82 1x58 s PHE 39 Cb -0.14 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1x58 s PHE 39 CO 0.32 -0.16 1.17 -0.65 -0.10 0.00 0.00 175.22 175.80 1x58 s GLN 40 N -4.11 2.06 0.34 0.44 -0.21 -1.26 -4.97 119.66 111.96 1x58 s GLN 40 Ca 0.37 1.61 -0.29 0.00 0.02 0.00 0.00 55.36 57.07 1x58 s GLN 40 Cb -0.00 -1.84 -0.11 0.00 1.00 0.00 0.00 33.01 32.06 1x58 s GLN 40 CO 0.22 -1.86 1.45 0.21 -2.12 0.00 0.00 175.29 173.18 1x58 s LYS 41 N -4.16 4.19 -1.09 2.91 2.47 -1.26 -2.65 119.74 120.15 1x58 s LYS 41 Ca 0.71 2.46 0.00 0.00 -1.56 0.00 0.00 55.97 57.57 1x58 s LYS 41 Cb -0.25 -3.01 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 1x58 s LYS 41 CO 0.48 -0.45 0.00 0.41 0.16 0.00 0.00 175.35 175.95 1x58 n GLY 42 N 0.89 0.79 3.73 5.54 0.00 -1.26 -5.03 105.19 109.85 1x58 n GLY 42 Ca 0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.47 1.30 0.29 1.61 1.81 -1.08 -5.09 118.95 114.32 1x58 s ARG 43 Ca 0.00 0.77 0.11 0.00 -1.72 0.00 0.00 55.73 54.89 1x58 s ARG 43 Cb 0.00 -1.82 -0.05 0.00 -0.45 0.00 0.00 34.95 32.63 1x58 s ARG 43 CO 0.00 -2.20 -0.12 1.03 -0.68 0.00 0.00 175.30 173.33 1x58 s ARG 44 N -4.97 1.87 0.28 3.54 0.52 -1.26 -5.02 118.95 113.91 1x58 s ARG 44 Ca 0.63 -1.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.10 1x58 s ARG 44 Cb -0.17 -1.86 0.40 0.00 0.52 0.00 0.00 34.95 33.83 1x58 s ARG 44 CO 0.57 0.29 1.90 0.00 0.02 0.00 0.00 175.30 178.07 1x58 h ALA 45 N 2.10 1.30 0.00 2.13 0.00 -1.96 -2.87 119.26 119.98 1x58 h ALA 45 Ca -0.41 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1x58 h ALA 45 Cb 1.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1x58 h ALA 45 CO 0.62 0.56 -0.27 -0.39 0.00 0.00 0.00 179.25 179.77 1x58 h VAL 46 N 1.02 0.83 -0.84 0.00 -1.51 -1.95 -2.56 116.25 111.24 1x58 h VAL 46 Ca 0.26 -1.07 0.03 0.00 -1.23 0.00 0.00 66.70 64.69 1x58 h VAL 46 Cb 0.05 1.65 -0.05 0.00 -2.13 0.00 0.00 31.29 30.81 1x58 h VAL 46 CO -0.04 0.26 0.54 0.44 -1.23 0.00 0.00 177.57 177.54 1x58 h ASP 47 N 0.00 0.89 0.17 4.19 3.32 -1.90 0.21 116.42 123.30 1x58 h ASP 47 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1x58 h ASP 47 Cb 0.63 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1x58 h ASP 47 CO 0.03 0.61 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.01 1x58 h LEU 48 N 1.04 -0.19 -0.46 1.55 3.38 -1.55 -0.61 115.31 118.48 1x58 h LEU 48 Ca 0.34 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1x58 h LEU 48 Cb 0.02 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1x58 h LEU 48 CO -0.12 0.09 0.21 0.00 0.09 0.00 0.00 178.44 178.71 1x58 h ALA 49 N 0.29 0.57 0.37 1.53 0.00 -1.34 -1.73 119.26 118.94 1x58 h ALA 49 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1x58 h ALA 49 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x58 h ALA 49 CO 0.04 -0.16 -0.18 1.25 0.00 0.00 0.00 179.25 180.20 1x58 h HIS 50 N 0.42 -0.46 -0.43 0.00 6.17 -0.50 0.97 115.15 121.31 1x58 h HIS 50 Ca 0.20 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.33 1x58 h HIS 50 Cb 0.14 0.15 -0.05 0.00 2.52 0.00 0.00 27.41 30.17 1x58 h HIS 50 CO -0.12 -0.18 0.14 -0.22 0.71 0.00 0.00 177.93 178.26 1x58 h LYS 51 N -0.68 0.30 -0.01 5.26 3.11 -0.94 -0.13 116.57 123.48 1x58 h LYS 51 Ca -0.05 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1x58 h LYS 51 Cb 0.48 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1x58 h LYS 51 CO 0.08 0.20 0.00 -0.92 -2.81 0.00 0.00 179.45 176.00 1x58 h TYR 52 N 0.31 0.01 -0.91 1.91 3.20 -1.26 0.86 116.97 121.08 1x58 h TYR 52 Ca 0.20 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.17 1x58 h TYR 52 Cb 0.20 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 1x58 h TYR 52 CO -0.16 0.01 0.56 1.25 -1.64 0.00 0.00 178.16 178.18 1x58 h HIS 53 N 0.00 1.02 -0.31 -3.82 2.76 -0.21 -0.07 115.15 114.52 1x58 h HIS 53 Ca 0.00 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1x58 h HIS 53 Cb 0.00 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1x58 h HIS 53 CO -0.08 0.44 -0.20 0.00 -1.30 0.00 0.00 177.93 176.79 1x58 h ARG 54 N 0.94 0.69 -0.09 5.26 2.47 -0.79 -2.08 114.38 120.79 1x58 h ARG 54 Ca 0.43 -0.32 0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1x58 h ARG 54 Cb 0.35 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1x58 h ARG 54 CO -0.23 0.93 -0.02 -0.07 0.56 0.00 0.00 179.97 181.14 1x58 h LEU 55 N 0.45 -0.08 0.00 3.04 3.38 0.43 -1.33 115.31 121.20 1x58 h LEU 55 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x58 h LEU 55 Cb 0.75 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x58 h LEU 55 CO 0.06 -0.03 0.00 2.30 0.09 0.00 0.00 178.44 180.86 1x58 n ILE 56 N -5.14 0.31 -2.61 1.22 -5.35 -0.16 -4.95 119.36 102.68 1x58 n ILE 56 Ca -0.05 0.08 -0.25 0.00 -0.27 0.00 0.00 62.75 62.26 1x58 n ILE 56 Cb 0.07 -0.75 0.02 0.00 -1.74 0.00 0.00 39.64 37.25 1x58 n ILE 56 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1x58 n SER 57 N -1.23 -3.42 -4.57 7.28 2.88 -0.50 -4.83 113.62 109.22 1x58 n SER 57 Ca 0.11 -0.12 -0.52 0.00 -1.33 0.00 0.00 58.87 57.00 1x58 n SER 57 Cb 0.14 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.54 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 -0.15 0.19 3.69 0.46 0.00 -0.83 -4.90 105.19 103.65 1x58 n GLY 58 Ca -0.06 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.33 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 0.17 0.99 -0.11 1.61 0.04 -1.26 -5.06 135.00 131.37 1x58 s PRO 59 Ca 0.83 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 1x58 s PRO 59 Cb -0.99 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 31.82 1x58 s PRO 59 CO 0.50 -2.43 0.28 -1.54 0.04 0.00 0.00 177.00 173.85 1x58 s SER 60 N -3.30 -0.31 0.29 6.66 1.04 -1.26 -5.15 113.70 111.68 1x58 s SER 60 Ca 0.64 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1x58 s SER 60 Cb -0.19 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x58 s SER 60 CO 0.58 -0.15 0.00 -0.24 0.98 0.00 0.00 173.24 174.41 1x58 n SER 61 N 3.86 -6.93 -0.66 7.02 2.88 -1.26 -5.33 113.62 113.21 1x58 n SER 61 Ca -0.21 0.53 0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1x58 n SER 61 Cb 0.55 -3.71 0.37 0.00 -0.75 0.00 0.00 64.21 60.66 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42