#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 4.98 0.16 1.61 0.01 -1.26 -5.06 113.70 114.14 1x58 s SER 2 Ca 0.00 2.10 -0.08 0.00 1.31 0.00 0.00 55.95 59.28 1x58 s SER 2 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1x58 s SER 2 CO 0.00 -1.72 0.42 -0.24 0.41 0.00 0.00 173.24 172.11 1x58 n SER 3 N -2.34 -1.03 -2.92 2.44 2.88 -1.26 -5.07 113.62 106.33 1x58 n SER 3 Ca 0.11 -1.66 -0.06 0.00 -1.33 0.00 0.00 58.87 55.93 1x58 n SER 3 Cb 0.51 1.70 0.01 0.00 -0.75 0.00 0.00 64.21 65.68 1x58 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x58 n GLY 4 N -0.29 -1.28 3.66 0.46 0.00 -1.26 -5.06 105.19 101.42 1x58 n GLY 4 Ca -0.03 1.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.95 1x58 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x58 s SER 5 N -2.70 -0.38 0.66 1.61 0.15 -1.26 -5.05 113.70 106.72 1x58 s SER 5 Ca 0.18 -0.32 0.31 0.00 0.70 0.00 0.00 55.95 56.82 1x58 s SER 5 Cb -0.05 0.64 1.68 0.00 -1.71 0.00 0.00 66.02 66.58 1x58 s SER 5 CO 0.77 -1.12 1.95 0.28 1.20 0.00 0.00 173.24 176.32 1x58 h SER 6 N 2.00 0.00 -5.97 5.45 0.02 -2.01 -3.46 113.55 109.58 1x58 h SER 6 Ca -0.25 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.36 1x58 h SER 6 Cb 1.27 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.91 1x58 h SER 6 CO 0.30 0.00 -0.81 0.61 -1.14 0.00 0.00 176.83 175.78 1x58 n GLY 7 N -1.24 -1.09 3.06 -3.77 0.00 -1.26 -5.03 105.19 95.87 1x58 n GLY 7 Ca -0.01 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 1x58 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x58 s ARG 8 N -5.15 0.21 0.00 1.61 3.52 -1.26 -4.89 118.95 113.00 1x58 s ARG 8 Ca 0.38 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 1x58 s ARG 8 Cb -0.11 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 1x58 s ARG 8 CO 0.82 -0.06 0.00 1.63 -0.81 0.00 0.00 175.30 176.89 1x58 n LYS 9 N 3.24 0.00 -1.33 5.12 4.76 -1.26 -5.07 118.16 123.63 1x58 n LYS 9 Ca -0.15 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 54.98 1x58 n LYS 9 Cb 0.57 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.86 1x58 n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x58 s ASP 10 N -4.00 4.41 0.03 4.39 1.01 -1.26 -4.85 116.67 116.40 1x58 s ASP 10 Ca 0.00 1.66 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1x58 s ASP 10 Cb 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1x58 s ASP 10 CO 0.00 -2.07 0.00 0.49 0.21 0.00 0.00 175.17 173.80 1x58 n PHE 11 N -3.53 -2.94 -1.57 4.23 3.01 -1.26 -5.05 117.46 110.35 1x58 n PHE 11 Ca 0.08 1.75 -0.31 0.00 1.01 0.00 0.00 57.45 59.98 1x58 n PHE 11 Cb 0.54 -3.11 0.05 0.00 -0.01 0.00 0.00 39.48 36.96 1x58 n PHE 11 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1x58 s THR 12 N -0.35 3.88 0.20 4.37 -4.23 -1.26 -4.83 115.64 113.41 1x58 s THR 12 Ca 0.00 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 1x58 s THR 12 Cb 0.00 -3.31 0.12 0.00 1.34 0.00 0.00 72.50 70.65 1x58 s THR 12 CO 0.00 -0.77 1.74 0.50 -0.54 0.00 0.00 174.62 175.55 1x58 h LYS 13 N -0.65 0.33 -0.22 3.99 1.63 -1.97 -0.63 116.57 119.05 1x58 h LYS 13 Ca -0.44 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.19 1x58 h LYS 13 Cb 1.21 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1x58 h LYS 13 CO 0.56 0.22 -0.46 0.93 -3.45 0.00 0.00 179.45 177.25 1x58 h GLU 14 N 0.34 0.70 -0.19 1.90 5.08 -2.00 -3.12 114.58 117.29 1x58 h GLU 14 Ca 0.27 -0.46 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 1x58 h GLU 14 Cb 0.33 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1x58 h GLU 14 CO -0.30 1.08 -0.43 0.93 -1.00 0.00 0.00 179.01 179.29 1x58 h GLU 15 N 0.41 0.46 -0.86 2.33 3.07 -1.74 -2.14 114.58 116.12 1x58 h GLU 15 Ca 0.01 -0.24 0.04 0.00 -0.50 0.00 0.00 59.36 58.66 1x58 h GLU 15 Cb 1.07 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.93 1x58 h GLU 15 CO 0.10 0.81 0.55 0.28 -1.40 0.00 0.00 179.01 179.35 1x58 h VAL 16 N 0.38 1.13 -0.05 3.13 2.07 -1.15 0.18 116.25 121.94 1x58 h VAL 16 Ca 0.03 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1x58 h VAL 16 Cb 0.91 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1x58 h VAL 16 CO 0.08 0.19 -0.05 0.78 0.02 0.00 0.00 177.57 178.59 1x58 h ASN 17 N 1.06 -0.15 -0.44 0.57 4.21 -1.34 -1.57 115.58 117.93 1x58 h ASN 17 Ca 0.34 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.89 1x58 h ASN 17 Cb 0.02 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1x58 h ASN 17 CO -0.12 -0.07 0.28 1.88 -1.29 0.00 0.00 177.43 178.11 1x58 h TYR 18 N -0.06 0.57 0.27 1.19 0.05 -0.95 0.12 116.97 118.15 1x58 h TYR 18 Ca 0.04 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1x58 h TYR 18 Cb 0.12 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1x58 h TYR 18 CO -0.15 0.37 -0.18 1.25 -1.05 0.00 0.00 178.16 178.41 1x58 h LEU 19 N 0.61 -0.44 -0.14 3.88 7.12 -0.15 0.18 115.31 126.37 1x58 h LEU 19 Ca 0.16 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 1x58 h LEU 19 Cb -0.05 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1x58 h LEU 19 CO -0.03 -0.28 0.01 -0.26 -0.13 0.00 0.00 178.44 177.75 1x58 h PHE 20 N -0.43 0.26 -0.68 1.25 0.04 -0.85 -0.42 116.94 116.11 1x58 h PHE 20 Ca -0.02 -0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.79 1x58 h PHE 20 Cb 0.37 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1x58 h PHE 20 CO -0.10 0.45 0.45 0.45 -0.60 0.00 0.00 178.31 178.96 1x58 h HIS 21 N -0.01 0.62 0.19 -0.55 3.86 -0.67 0.12 115.15 118.71 1x58 h HIS 21 Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1x58 h HIS 21 Cb 0.34 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1x58 h HIS 21 CO 0.03 0.31 -0.09 0.78 0.86 0.00 0.00 177.93 179.81 1x58 h GLY 22 N 0.59 -0.27 1.34 2.45 0.00 -0.44 -3.26 103.07 103.48 1x58 h GLY 22 Ca 0.31 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.82 1x58 h GLY 22 CO -0.10 -0.10 0.25 -2.08 0.00 0.00 0.00 176.54 174.51 1x58 h VAL 23 N -0.28 0.62 -0.84 4.60 2.07 -0.70 0.21 116.25 121.93 1x58 h VAL 23 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1x58 h VAL 23 Cb 0.20 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1x58 h VAL 23 CO 0.04 0.00 0.42 0.50 0.02 0.00 0.00 177.57 178.56 1x58 h LYS 24 N 0.00 1.19 0.04 1.57 3.11 -1.03 -0.91 116.57 120.54 1x58 h LYS 24 Ca 0.14 -0.16 -0.38 0.00 -2.81 0.00 0.00 60.65 57.43 1x58 h LYS 24 Cb 0.64 -0.22 -0.05 0.00 -1.00 0.00 0.00 32.23 31.60 1x58 h LYS 24 CO -0.00 0.90 -2.23 -2.37 -2.81 0.00 0.00 179.45 172.94 1x58 n THR 25 N -4.34 1.59 0.13 1.00 5.66 -0.63 -4.63 114.28 113.06 1x58 n THR 25 Ca 0.08 -0.52 0.01 0.00 -3.05 0.00 0.00 64.05 60.57 1x58 n THR 25 Cb 0.12 -1.64 0.01 0.00 -1.55 0.00 0.00 70.33 67.27 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 -0.22 0.00 0.00 1.09 2.86 -0.64 -3.49 114.93 114.53 1x58 h MET 26 Ca -0.53 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1x58 h MET 26 Cb 1.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1x58 h MET 26 CO -0.10 0.59 0.00 0.41 1.06 0.00 0.00 176.91 178.88 1x58 n GLY 27 N 1.22 2.86 1.13 8.32 0.00 -0.35 -3.49 105.19 114.88 1x58 n GLY 27 Ca 0.02 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1x58 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x58 n ASN 28 N 9.78 3.82 -4.55 1.61 6.94 -1.26 -4.53 115.26 127.06 1x58 n ASN 28 Ca 0.00 -2.21 -0.37 0.00 -0.02 0.00 0.00 54.58 51.98 1x58 n ASN 28 Cb 0.00 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 1x58 n ASN 28 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1x58 s HIS 29 N -1.39 1.95 -0.03 -2.53 3.76 -1.23 -4.79 115.29 111.05 1x58 s HIS 29 Ca 0.40 0.34 -0.20 0.00 -0.15 0.00 0.00 55.06 55.46 1x58 s HIS 29 Cb 0.24 -4.30 -0.33 0.00 1.11 0.00 0.00 32.58 29.30 1x58 s HIS 29 CO 0.23 -2.11 0.91 -1.49 -0.85 0.00 0.00 174.74 171.43 1x58 h TRP 30 N 12.37 0.69 -0.92 1.40 4.06 -1.90 -2.98 115.95 128.67 1x58 h TRP 30 Ca -0.15 -0.50 0.12 0.00 2.06 0.00 0.00 58.89 60.41 1x58 h TRP 30 Cb 1.09 -0.03 -0.08 0.00 -1.00 0.00 0.00 29.16 29.14 1x58 h TRP 30 CO 1.12 1.41 0.55 -0.91 -3.56 0.00 0.00 178.44 177.06 1x58 h ASN 31 N -0.20 0.78 0.03 -3.49 2.35 -1.86 -1.35 115.58 111.85 1x58 h ASN 31 Ca -0.19 0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 55.39 1x58 h ASN 31 Cb 1.83 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 40.11 1x58 h ASN 31 CO 0.19 0.41 -0.87 0.28 -1.65 0.00 0.00 177.43 175.80 1x58 h SER 32 N 0.87 0.80 -0.50 5.81 0.02 -1.97 -3.20 113.55 115.39 1x58 h SER 32 Ca 0.46 -0.57 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1x58 h SER 32 Cb 0.48 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1x58 h SER 32 CO -0.28 1.36 0.33 0.40 -1.14 0.00 0.00 176.83 177.50 1x58 h ILE 33 N 0.42 1.12 -0.16 3.27 2.04 -1.23 0.69 117.51 123.66 1x58 h ILE 33 Ca -0.07 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1x58 h ILE 33 Cb 1.49 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1x58 h ILE 33 CO 0.17 0.12 0.13 0.25 0.00 0.00 0.00 178.15 178.82 1x58 h LEU 34 N 0.67 0.00 0.16 1.44 6.46 -1.26 -0.23 115.31 122.55 1x58 h LEU 34 Ca 0.18 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.63 1x58 h LEU 34 Cb -0.07 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1x58 h LEU 34 CO -0.04 0.00 -1.58 -0.50 -0.62 0.00 0.00 178.44 175.70 1x58 h TRP 35 N 0.00 0.63 0.00 1.25 6.55 -1.48 -3.38 115.95 119.52 1x58 h TRP 35 Ca 0.07 -0.46 0.00 0.00 0.95 0.00 0.00 58.89 59.46 1x58 h TRP 35 Cb 0.33 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 1x58 h TRP 35 CO 0.00 1.62 0.00 0.45 -1.05 0.00 0.00 178.44 179.46 1x58 n SER 36 N -3.74 0.57 -3.72 -3.49 2.88 0.20 -4.81 113.62 101.51 1x58 n SER 36 Ca -0.24 0.67 -0.10 0.00 -1.33 0.00 0.00 58.87 57.87 1x58 n SER 36 Cb 1.00 -0.78 -0.05 0.00 -0.75 0.00 0.00 64.21 63.63 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 -3.34 -0.07 0.35 0.66 0.40 -0.58 -5.04 117.98 110.36 1x58 s PHE 37 Ca 0.03 -0.28 -0.26 0.00 -0.60 0.00 0.00 56.93 55.82 1x58 s PHE 37 Cb 0.08 0.18 -0.09 0.00 0.51 0.00 0.00 43.02 43.70 1x58 s PHE 37 CO 0.32 -0.69 1.07 -1.25 0.70 0.00 0.00 175.22 175.38 1x58 s PRO 38 N -3.84 4.34 -0.14 0.24 0.04 -1.26 -4.68 135.00 129.71 1x58 s PRO 38 Ca 0.05 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.70 1x58 s PRO 38 Cb 0.02 -2.80 0.05 0.00 0.04 0.00 0.00 34.50 31.81 1x58 s PRO 38 CO -0.10 -0.01 0.05 -0.06 0.04 0.00 0.00 177.00 176.92 1x58 s PHE 39 N -1.45 0.53 0.00 0.56 0.08 -1.26 -4.83 117.98 111.61 1x58 s PHE 39 Ca 0.53 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.21 1x58 s PHE 39 Cb -0.26 -0.79 0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1x58 s PHE 39 CO 0.33 -0.46 0.00 1.04 -0.10 0.00 0.00 175.22 176.03 1x58 n GLN 40 N 5.18 0.00 -4.27 0.44 6.02 -1.26 -4.22 117.38 119.27 1x58 n GLN 40 Ca -0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 1x58 n GLN 40 Cb 0.49 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.61 1x58 n GLN 40 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1x58 s LYS 41 N 0.00 0.67 -0.79 -1.09 2.36 -1.26 -4.99 119.74 114.65 1x58 s LYS 41 Ca 0.00 -0.46 -0.04 0.00 -2.55 0.00 0.00 55.97 52.92 1x58 s LYS 41 Cb 0.00 -0.62 -0.04 0.00 -1.05 0.00 0.00 37.83 36.12 1x58 s LYS 41 CO 0.00 0.16 0.70 0.41 1.55 0.00 0.00 175.35 178.17 1x58 n GLY 42 N 2.42 -0.83 3.77 5.54 0.00 -1.26 -5.05 105.19 109.79 1x58 n GLY 42 Ca -0.16 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.86 2.52 0.35 1.61 1.81 -1.26 -5.15 118.95 114.97 1x58 s ARG 43 Ca 0.28 -1.43 0.06 0.00 -1.72 0.00 0.00 55.73 52.93 1x58 s ARG 43 Cb -0.04 -2.30 -0.01 0.00 -0.45 0.00 0.00 34.95 32.16 1x58 s ARG 43 CO 0.60 0.14 0.50 1.03 -0.68 0.00 0.00 175.30 176.88 1x58 s ARG 44 N -3.89 3.08 0.39 3.54 0.52 -1.26 -5.02 118.95 116.30 1x58 s ARG 44 Ca 0.38 -1.00 0.10 0.00 -0.52 0.00 0.00 55.73 54.69 1x58 s ARG 44 Cb -0.04 -2.80 0.78 0.00 0.52 0.00 0.00 34.95 33.42 1x58 s ARG 44 CO 0.24 -0.00 1.91 0.00 0.02 0.00 0.00 175.30 177.47 1x58 h ALA 45 N 0.83 1.50 0.00 2.13 0.00 -1.95 -2.38 119.26 119.39 1x58 h ALA 45 Ca -0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 1x58 h ALA 45 Cb 1.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x58 h ALA 45 CO 0.52 0.36 -0.10 -0.39 0.00 0.00 0.00 179.25 179.64 1x58 h VAL 46 N 0.20 0.54 0.00 0.00 -1.51 -1.95 -0.32 116.25 113.21 1x58 h VAL 46 Ca 0.04 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1x58 h VAL 46 Cb 0.40 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1x58 h VAL 46 CO 0.02 0.09 0.00 0.47 -1.23 0.00 0.00 177.57 176.93 1x58 n ASP 47 N -3.65 0.25 0.04 4.19 8.00 -0.90 -0.51 116.55 123.97 1x58 n ASP 47 Ca -0.02 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.16 1x58 n ASP 47 Cb 0.21 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 1x58 n ASP 47 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x58 n LEU 48 N -1.78 0.47 0.07 0.64 4.77 -0.14 -4.17 117.00 116.87 1x58 n LEU 48 Ca 0.03 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 1x58 n LEU 48 Cb 0.18 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1x58 n LEU 48 CO 0.15 -0.06 -0.00 0.00 -1.33 0.00 0.00 177.39 176.14 1x58 h ALA 49 N 2.11 -0.10 0.21 -1.18 0.00 -1.04 -3.35 119.26 115.92 1x58 h ALA 49 Ca 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1x58 h ALA 49 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x58 h ALA 49 CO 0.00 0.44 -0.10 1.25 0.00 0.00 0.00 179.25 180.84 1x58 h HIS 50 N -0.25 -0.26 -0.95 0.00 2.76 -0.97 -2.28 115.15 113.19 1x58 h HIS 50 Ca -0.16 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.03 1x58 h HIS 50 Cb 1.74 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 30.73 1x58 h HIS 50 CO 0.18 0.00 0.63 -0.22 -1.30 0.00 0.00 177.93 177.22 1x58 h LYS 51 N -1.02 1.19 -0.58 5.26 1.63 -1.83 -1.34 116.57 119.88 1x58 h LYS 51 Ca -0.03 -0.07 0.12 0.00 -0.85 0.00 0.00 60.65 59.82 1x58 h LYS 51 Cb 0.38 -0.27 -0.09 0.00 -0.60 0.00 0.00 32.23 31.65 1x58 h LYS 51 CO 0.05 0.79 0.05 -0.92 -3.45 0.00 0.00 179.45 175.96 1x58 h TYR 52 N 1.23 0.05 -0.91 1.91 3.20 -1.70 0.34 116.97 121.09 1x58 h TYR 52 Ca 0.37 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.41 1x58 h TYR 52 Cb -0.03 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 1x58 h TYR 52 CO -0.00 -0.11 0.58 1.25 -1.64 0.00 0.00 178.16 178.25 1x58 h HIS 53 N 0.17 0.90 0.02 -3.82 2.76 -0.64 -0.81 115.15 113.73 1x58 h HIS 53 Ca 0.30 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 58.27 1x58 h HIS 53 Cb 0.47 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1x58 h HIS 53 CO -0.31 0.35 -0.98 0.00 -1.30 0.00 0.00 177.93 175.69 1x58 h ARG 54 N 0.78 0.36 -0.38 5.26 2.47 -0.65 -3.23 114.38 118.99 1x58 h ARG 54 Ca 0.45 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1x58 h ARG 54 Cb 0.62 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.05 1x58 h ARG 54 CO -0.21 1.10 0.21 -0.07 0.56 0.00 0.00 179.97 181.57 1x58 h LEU 55 N 0.19 0.46 0.00 3.04 3.38 0.96 -1.62 115.31 121.73 1x58 h LEU 55 Ca -0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1x58 h LEU 55 Cb 1.63 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1x58 h LEU 55 CO 0.17 0.41 0.00 2.30 0.09 0.00 0.00 178.44 181.40 1x58 n ILE 56 N -4.76 0.68 -1.81 1.22 -5.35 -0.56 -4.25 119.36 104.52 1x58 n ILE 56 Ca -0.00 0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 62.23 1x58 n ILE 56 Cb 0.07 -0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 37.04 1x58 n ILE 56 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1x58 n SER 57 N -1.34 3.90 -0.27 7.28 7.64 -0.61 -4.89 113.62 125.32 1x58 n SER 57 Ca 0.06 -2.84 0.03 0.00 1.01 0.00 0.00 58.87 57.14 1x58 n SER 57 Cb 0.13 -1.63 -0.01 0.00 -1.01 0.00 0.00 64.21 61.70 1x58 n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x58 n GLY 58 N 4.36 -2.17 0.17 0.23 0.00 -1.26 -3.65 105.19 102.87 1x58 n GLY 58 Ca 0.51 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 45.10 1x58 n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x58 h PRO 59 N 0.00 0.00 -2.43 1.61 0.13 -1.90 -3.46 132.00 125.95 1x58 h PRO 59 Ca 0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1x58 h PRO 59 Cb 0.23 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.12 1x58 h PRO 59 CO 0.00 0.45 -0.13 0.45 -0.23 0.00 0.00 178.00 178.54 1x58 s SER 60 N -6.75 -0.61 0.00 1.44 0.15 -1.26 -5.05 113.70 101.63 1x58 s SER 60 Ca -0.02 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1x58 s SER 60 Cb 0.13 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1x58 s SER 60 CO 0.72 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.77 1x58 n SER 61 N 3.46 0.00 0.00 5.45 7.64 -1.26 -5.09 113.62 123.81 1x58 n SER 61 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1x58 n SER 61 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1x58 n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64