#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h64 s ARG 4 N 0.00 2.61 0.24 3.44 0.52 -1.26 -4.79 118.95 119.70 1h64 s ARG 4 Ca 0.00 1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 56.25 1h64 s ARG 4 Cb 0.00 -1.94 0.45 0.00 0.52 0.00 0.00 34.95 33.98 1h64 s ARG 4 CO 0.00 -1.37 1.69 -1.35 0.02 0.00 0.00 175.30 174.29 1h64 h PRO 5 N -0.83 0.28 0.00 3.54 0.11 -2.05 0.50 132.00 133.54 1h64 h PRO 5 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1h64 h PRO 5 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1h64 h PRO 5 CO 0.54 0.19 -0.26 1.25 -0.21 0.00 0.00 178.00 179.50 1h64 h LEU 6 N 0.29 0.00 -0.24 2.35 5.85 -1.99 -1.96 115.31 119.61 1h64 h LEU 6 Ca 0.41 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.02 1h64 h LEU 6 Cb 0.68 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1h64 h LEU 6 CO -0.49 0.26 -0.27 0.44 -0.34 0.00 0.00 178.44 178.04 1h64 h ASP 7 N 0.00 0.66 -0.35 1.25 3.45 -1.28 -0.57 116.42 119.59 1h64 h ASP 7 Ca -0.00 -0.49 -0.03 0.00 0.43 0.00 0.00 57.03 56.94 1h64 h ASP 7 Cb 0.62 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1h64 h ASP 7 CO 0.03 1.01 0.11 0.58 -1.57 0.00 0.00 179.24 179.41 1h64 h VAL 8 N 0.32 1.21 -0.58 -1.35 2.07 -1.09 -1.19 116.25 115.64 1h64 h VAL 8 Ca 0.03 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1h64 h VAL 8 Cb 0.84 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1h64 h VAL 8 CO 0.07 0.23 0.11 0.40 0.02 0.00 0.00 177.57 178.39 1h64 h ILE 9 N 0.41 1.24 -0.50 4.57 2.04 -1.31 -2.21 117.51 121.75 1h64 h ILE 9 Ca 0.11 -0.91 -0.13 0.00 1.00 0.00 0.00 64.86 64.93 1h64 h ILE 9 Cb 0.25 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1h64 h ILE 9 CO -0.00 0.34 -0.19 -0.74 0.00 0.00 0.00 178.15 177.55 1h64 h HIS 10 N 0.87 1.15 0.00 1.37 2.76 -0.92 -2.64 115.15 117.74 1h64 h HIS 10 Ca 0.18 -0.27 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1h64 h HIS 10 Cb 0.36 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1h64 h HIS 10 CO 0.02 1.10 -0.05 -0.09 -1.30 0.00 0.00 177.93 177.61 1h64 h ARG 11 N 0.87 0.00 -0.01 5.26 9.65 -0.89 -2.53 114.38 126.73 1h64 h ARG 11 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1h64 h ARG 11 Cb 0.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1h64 h ARG 11 CO 0.06 0.05 -0.04 0.43 2.80 0.00 0.00 179.97 183.28 1h64 n SER 12 N -3.37 1.05 -4.67 -3.80 7.64 -0.86 -4.92 113.62 104.67 1h64 n SER 12 Ca -0.02 -1.23 -0.43 0.00 1.01 0.00 0.00 58.87 58.20 1h64 n SER 12 Cb 0.20 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1h64 n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h64 n LEU 13 N -0.27 3.16 -0.91 -3.43 4.77 -0.96 -1.11 117.00 118.25 1h64 n LEU 13 Ca 0.19 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 57.24 1h64 n LEU 13 Cb 0.30 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 39.90 1h64 n LEU 13 CO 0.19 -0.66 -0.11 0.47 -1.33 0.00 0.00 177.39 175.94 1h64 n ASP 14 N 1.03 -5.14 -4.41 -1.43 10.43 0.29 -4.98 116.55 112.35 1h64 n ASP 14 Ca 0.06 0.29 -0.22 0.00 2.57 0.00 0.00 54.79 57.49 1h64 n ASP 14 Cb 0.35 -3.68 -0.10 0.00 1.84 0.00 0.00 41.12 39.52 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1h64 s LYS 15 N -2.89 1.50 0.27 -1.24 1.02 -0.27 -4.87 119.74 113.26 1h64 s LYS 15 Ca 0.00 -1.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.06 1h64 s LYS 15 Cb 0.00 -1.52 -0.10 0.00 -0.52 0.00 0.00 37.83 35.69 1h64 s LYS 15 CO 0.00 0.29 1.23 0.34 -0.92 0.00 0.00 175.35 176.28 1h64 s ASP 16 N -3.23 6.99 0.05 2.83 2.15 -1.26 -1.46 116.67 122.74 1h64 s ASP 16 Ca 0.25 2.45 -0.01 0.00 0.43 0.00 0.00 52.55 55.66 1h64 s ASP 16 Cb -0.04 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1h64 s ASP 16 CO 0.11 -0.39 -0.02 0.68 -0.17 0.00 0.00 175.17 175.38 1h64 s VAL 17 N -0.79 0.20 -0.15 1.11 -7.23 0.63 -0.75 120.40 113.41 1h64 s VAL 17 Ca 0.49 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1h64 s VAL 17 Cb -0.36 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1h64 s VAL 17 CO 0.44 -0.89 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.02 1h64 s LEU 18 N -2.64 2.83 -0.32 1.32 2.96 0.49 -1.96 118.68 121.36 1h64 s LEU 18 Ca 0.03 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1h64 s LEU 18 Cb 0.05 -1.66 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1h64 s LEU 18 CO -0.08 0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.44 1h64 s VAL 19 N 0.51 3.12 -0.11 1.68 1.01 0.10 -0.66 120.40 126.05 1h64 s VAL 19 Ca -0.07 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.22 1h64 s VAL 19 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1h64 s VAL 19 CO 0.04 -0.21 0.63 -0.63 0.00 0.00 0.00 175.10 174.92 1h64 s ILE 20 N 1.25 5.08 0.19 2.22 1.01 0.14 -0.62 121.20 130.47 1h64 s ILE 20 Ca -0.02 1.26 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1h64 s ILE 20 Cb -0.20 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1h64 s ILE 20 CO -0.01 0.24 0.07 0.18 0.00 0.00 0.00 174.94 175.41 1h64 n LEU 21 N 4.05 0.00 -4.94 2.97 4.77 -0.07 0.11 117.00 123.90 1h64 n LEU 21 Ca -0.03 -1.13 -0.28 0.00 -0.03 0.00 0.00 56.01 54.55 1h64 n LEU 21 Cb 0.51 0.07 0.13 0.00 -2.33 0.00 0.00 43.42 41.80 1h64 n LEU 21 CO 0.45 -0.26 0.74 -0.54 -1.33 0.00 0.00 177.39 176.46 1h64 s LYS 22 N -2.75 1.39 0.00 3.23 3.01 -1.26 -4.11 119.74 119.26 1h64 s LYS 22 Ca 0.05 -0.42 0.00 0.00 -1.01 0.00 0.00 55.97 54.59 1h64 s LYS 22 Cb -0.00 -2.03 0.00 0.00 -1.01 0.00 0.00 37.83 34.79 1h64 s LYS 22 CO 0.03 -1.84 0.00 1.63 0.51 0.00 0.00 175.35 175.68 1h64 n LYS 23 N -3.33 -0.26 -0.95 1.68 4.76 -1.26 -1.97 118.16 116.82 1h64 n LYS 23 Ca 0.12 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1h64 n LYS 23 Cb 0.60 -3.49 0.00 0.00 -1.84 0.00 0.00 35.03 30.30 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h64 n GLY 24 N -1.79 0.51 3.85 0.72 0.00 -1.26 -4.88 105.19 102.34 1h64 n GLY 24 Ca 0.00 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1h64 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h64 s PHE 25 N -2.00 3.64 0.04 1.61 2.99 -0.83 -2.88 117.98 120.55 1h64 s PHE 25 Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 56.93 57.77 1h64 s PHE 25 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 43.02 40.74 1h64 s PHE 25 CO 0.00 0.52 0.30 -1.21 -0.00 0.00 0.00 175.22 174.83 1h64 s GLU 26 N -1.68 0.79 0.04 0.44 2.02 -0.15 -0.89 118.70 119.27 1h64 s GLU 26 Ca 0.33 -0.48 0.09 0.00 0.02 0.00 0.00 54.97 54.92 1h64 s GLU 26 Cb -0.15 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 1h64 s GLU 26 CO 0.18 -0.25 -0.26 -0.06 0.02 0.00 0.00 175.26 174.89 1h64 s PHE 27 N -2.44 2.28 -0.02 1.61 0.40 0.21 -0.05 117.98 119.98 1h64 s PHE 27 Ca -0.06 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1h64 s PHE 27 Cb -0.01 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.14 1h64 s PHE 27 CO -0.03 0.11 -0.07 0.50 0.70 0.00 0.00 175.22 176.43 1h64 s ARG 28 N -1.18 0.76 0.00 0.44 3.52 -0.31 0.01 118.95 122.19 1h64 s ARG 28 Ca 0.11 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1h64 s ARG 28 Cb -0.10 -0.73 0.00 0.00 -1.56 0.00 0.00 34.95 32.56 1h64 s ARG 28 CO 0.02 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1h64 n GLY 29 N 3.32 -1.46 3.64 8.12 0.00 -0.83 -0.59 105.19 117.40 1h64 n GLY 29 Ca -0.18 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 1h64 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h64 s ARG 30 N -1.89 4.16 -0.06 1.61 3.52 -0.75 -0.27 118.95 125.28 1h64 s ARG 30 Ca 0.00 0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 1h64 s ARG 30 Cb 0.00 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1h64 s ARG 30 CO 0.00 -0.31 1.26 -1.17 -0.81 0.00 0.00 175.30 174.27 1h64 s LEU 31 N 2.16 4.28 0.00 -0.88 2.96 -0.53 -0.45 118.68 126.21 1h64 s LEU 31 Ca 0.27 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1h64 s LEU 31 Cb -0.16 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1h64 s LEU 31 CO 0.09 -0.64 0.32 2.30 -1.32 0.00 0.00 176.35 177.10 1h64 n ILE 32 N 4.73 0.00 -3.62 6.68 -5.35 -0.47 0.11 119.36 121.43 1h64 n ILE 32 Ca 0.12 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 62.15 1h64 n ILE 32 Cb 0.45 1.11 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 1h64 n ILE 32 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1h64 s GLY 33 N -0.22 -0.36 -0.00 3.28 0.00 -1.22 -4.90 107.32 103.90 1h64 s GLY 33 Ca 0.00 0.93 -0.30 0.00 0.00 0.00 0.00 44.72 45.35 1h64 s GLY 33 CO 0.00 0.25 1.13 -2.52 0.00 0.00 0.00 173.10 171.96 1h64 s TYR 34 N -2.59 -0.12 0.35 1.90 -0.85 -1.26 -1.45 117.35 113.33 1h64 s TYR 34 Ca 0.12 -0.03 0.04 0.00 -0.52 0.00 0.00 57.07 56.68 1h64 s TYR 34 Cb 0.02 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 1h64 s TYR 34 CO -0.04 -0.45 0.16 0.16 -1.52 0.00 0.00 175.55 173.86 1h64 s ASP 35 N -2.74 2.12 0.63 -0.18 1.47 -0.91 -5.00 116.67 112.05 1h64 s ASP 35 Ca 0.11 -1.62 0.34 0.00 1.18 0.00 0.00 52.55 52.56 1h64 s ASP 35 Cb 0.01 0.43 1.90 0.00 -0.34 0.00 0.00 42.92 44.92 1h64 s ASP 35 CO -0.03 -0.91 2.16 -0.29 0.68 0.00 0.00 175.17 176.78 1h64 h ILE 36 N 2.02 0.26 -0.00 2.11 6.09 -2.03 -1.24 117.51 124.72 1h64 h ILE 36 Ca -0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1h64 h ILE 36 Cb 1.26 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.42 1h64 h ILE 36 CO 0.53 0.00 -0.05 1.41 -3.07 0.00 0.00 178.15 176.97 1h64 n HIS 37 N -3.43 0.00 -1.36 2.19 8.25 -1.26 -4.89 115.22 114.71 1h64 n HIS 37 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 1h64 n HIS 37 Cb 0.24 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1h64 n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1h64 n LEU 38 N -0.90 -0.51 -4.77 2.41 4.77 -0.47 -4.43 117.00 113.11 1h64 n LEU 38 Ca 0.17 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.83 1h64 n LEU 38 Cb 0.24 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1h64 n LEU 38 CO 0.21 -0.15 0.70 0.20 -1.33 0.00 0.00 177.39 177.03 1h64 s ASN 39 N -2.93 7.32 0.15 -1.43 0.01 -1.26 -3.28 114.94 113.53 1h64 s ASN 39 Ca 0.00 2.02 0.04 0.00 -0.71 0.00 0.00 52.86 54.22 1h64 s ASN 39 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1h64 s ASN 39 CO 0.00 -0.08 -0.09 0.68 -1.51 0.00 0.00 177.10 176.09 1h64 s VAL 40 N -1.36 1.15 -0.11 1.60 -7.23 -0.16 -2.13 120.40 112.16 1h64 s VAL 40 Ca 0.47 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1h64 s VAL 40 Cb -0.25 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.81 1h64 s VAL 40 CO 0.32 -0.71 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.50 1h64 s VAL 41 N -3.34 1.87 0.08 1.32 1.01 -0.53 -0.30 120.40 120.51 1h64 s VAL 41 Ca 0.18 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.37 1h64 s VAL 41 Cb 0.03 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1h64 s VAL 41 CO 0.01 0.52 -0.27 -0.76 0.00 0.00 0.00 175.10 174.60 1h64 s LEU 42 N 0.62 2.24 0.11 3.92 1.43 0.33 -1.37 118.68 125.96 1h64 s LEU 42 Ca -0.13 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 1h64 s LEU 42 Cb -0.17 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1h64 s LEU 42 CO 0.03 0.22 -0.07 0.00 0.23 0.00 0.00 176.35 176.77 1h64 s ALA 43 N -0.92 3.06 -1.18 4.21 0.00 0.40 -0.89 121.76 126.44 1h64 s ALA 43 Ca 0.13 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1h64 s ALA 43 Cb -0.10 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.09 1h64 s ALA 43 CO 0.04 0.63 0.72 -0.25 0.00 0.00 0.00 175.76 176.89 1h64 n ASP 44 N 0.54 -4.54 -4.98 0.00 8.00 0.10 -1.81 116.55 113.85 1h64 n ASP 44 Ca -0.12 -1.21 -0.20 0.00 0.71 0.00 0.00 54.79 53.97 1h64 n ASP 44 Cb 0.53 -2.19 -0.01 0.00 -0.02 0.00 0.00 41.12 39.43 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h64 s ALA 45 N -3.49 4.07 -0.01 2.24 0.00 0.83 -4.47 121.76 120.93 1h64 s ALA 45 Ca 0.48 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1h64 s ALA 45 Cb -0.24 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1h64 s ALA 45 CO 0.94 -0.01 -0.02 -1.21 0.00 0.00 0.00 175.76 175.46 1h64 s GLU 46 N -4.19 0.24 -0.25 0.00 2.02 0.24 -0.90 118.70 115.87 1h64 s GLU 46 Ca 0.42 -0.05 -0.14 0.00 0.02 0.00 0.00 54.97 55.22 1h64 s GLU 46 Cb -0.09 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 1h64 s GLU 46 CO 0.32 0.01 0.34 1.41 0.02 0.00 0.00 175.26 177.36 1h64 s MET 47 N 0.23 4.07 -0.08 1.61 -2.45 0.32 -1.16 119.30 121.83 1h64 s MET 47 Ca -0.02 0.03 0.03 0.00 -1.25 0.00 0.00 55.69 54.48 1h64 s MET 47 Cb -0.05 -3.61 -0.02 0.00 1.25 0.00 0.00 34.83 32.41 1h64 s MET 47 CO -0.01 -0.16 -0.17 0.42 1.05 0.00 0.00 175.02 176.15 1h64 s ILE 48 N 1.69 2.72 -0.14 10.11 1.01 0.93 -0.35 121.20 137.17 1h64 s ILE 48 Ca 0.15 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1h64 s ILE 48 Cb -0.15 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1h64 s ILE 48 CO 0.09 0.56 -0.10 -1.58 0.00 0.00 0.00 174.94 173.91 1h64 s GLN 49 N -0.12 1.83 -1.43 2.79 0.74 0.98 -0.97 119.66 123.47 1h64 s GLN 49 Ca -0.03 -0.45 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 1h64 s GLN 49 Cb -0.14 -1.91 0.01 0.00 1.10 0.00 0.00 33.01 32.07 1h64 s GLN 49 CO 0.04 -0.30 0.40 -0.25 -0.55 0.00 0.00 175.29 174.63 1h64 n ASP 50 N 4.85 -0.32 0.00 6.67 8.00 -1.14 -0.64 116.55 133.98 1h64 n ASP 50 Ca -0.14 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1h64 n ASP 50 Cb 0.49 -2.92 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h64 n GLY 51 N -2.01 2.92 3.72 0.44 0.00 -1.26 -5.00 105.19 104.00 1h64 n GLY 51 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1h64 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h64 s GLU 52 N -0.11 4.44 -0.20 1.61 2.02 0.19 -5.03 118.70 121.62 1h64 s GLU 52 Ca 0.00 0.90 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 1h64 s GLU 52 Cb 0.00 -3.44 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1h64 s GLU 52 CO 0.00 0.07 1.11 0.08 0.02 0.00 0.00 175.26 176.54 1h64 s VAL 53 N 0.77 4.56 -0.40 2.63 1.01 -1.26 -0.02 120.40 127.69 1h64 s VAL 53 Ca 0.38 1.88 0.13 0.00 0.00 0.00 0.00 61.98 64.37 1h64 s VAL 53 Cb -0.18 -4.21 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 1h64 s VAL 53 CO 0.19 -0.16 0.46 1.33 0.00 0.00 0.00 175.10 176.92 1h64 n VAL 54 N 5.29 0.00 -3.56 2.92 0.24 0.53 -4.95 118.33 118.79 1h64 n VAL 54 Ca 0.12 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1h64 n VAL 54 Cb 0.46 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 1h64 n VAL 54 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1h64 s LYS 55 N -2.49 0.73 0.03 7.34 2.47 -1.14 -4.98 119.74 121.69 1h64 s LYS 55 Ca 0.01 0.22 0.07 0.00 -1.56 0.00 0.00 55.97 54.72 1h64 s LYS 55 Cb 0.09 0.35 -0.02 0.00 -1.46 0.00 0.00 37.83 36.79 1h64 s LYS 55 CO 0.55 -0.22 -0.21 1.03 0.16 0.00 0.00 175.35 176.66 1h64 s ARG 56 N -1.02 1.47 0.00 4.03 0.52 -1.26 -0.52 118.95 122.16 1h64 s ARG 56 Ca -0.04 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1h64 s ARG 56 Cb -0.01 -1.53 -0.01 0.00 0.52 0.00 0.00 34.95 33.92 1h64 s ARG 56 CO 0.04 0.40 -0.06 0.71 0.02 0.00 0.00 175.30 176.40 1h64 s TYR 57 N -0.70 0.57 0.15 -0.53 1.51 -0.08 -4.99 117.35 113.28 1h64 s TYR 57 Ca 0.08 -0.16 -0.08 0.00 -1.01 0.00 0.00 57.07 55.90 1h64 s TYR 57 Cb -0.09 -0.36 -0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1h64 s TYR 57 CO 0.01 -0.02 1.43 0.78 -1.11 0.00 0.00 175.55 176.65 1h64 h GLY 58 N 5.79 0.78 -5.53 0.71 0.00 -1.92 0.24 103.07 103.13 1h64 h GLY 58 Ca -0.30 -0.95 -0.14 0.00 0.00 0.00 0.00 47.33 45.94 1h64 h GLY 58 CO 0.49 0.85 -0.34 1.25 0.00 0.00 0.00 176.54 178.79 1h64 s LYS 59 N -3.99 0.37 -0.07 4.80 2.20 -1.26 0.02 119.74 121.80 1h64 s LYS 59 Ca -0.09 0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 56.06 1h64 s LYS 59 Cb 0.10 0.07 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1h64 s LYS 59 CO 0.87 -0.10 0.17 -1.50 -0.36 0.00 0.00 175.35 174.42 1h64 s ILE 60 N 0.77 -0.01 -0.29 5.43 2.07 -0.07 -4.99 121.20 124.10 1h64 s ILE 60 Ca -0.05 0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.15 1h64 s ILE 60 Cb -0.06 -0.25 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 1h64 s ILE 60 CO -0.05 0.02 0.12 -0.69 -1.91 0.00 0.00 174.94 172.42 1h64 s VAL 61 N 0.36 4.39 -0.17 4.00 1.01 -1.26 -0.51 120.40 128.21 1h64 s VAL 61 Ca -0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1h64 s VAL 61 Cb -0.04 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1h64 s VAL 61 CO -0.01 0.13 -0.00 -0.63 0.00 0.00 0.00 175.10 174.58 1h64 s ILE 62 N 1.59 4.17 0.04 2.22 1.01 0.59 -4.96 121.20 125.85 1h64 s ILE 62 Ca 0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1h64 s ILE 62 Cb -0.17 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1h64 s ILE 62 CO 0.05 0.48 1.18 -0.13 0.00 0.00 0.00 174.94 176.51 1h64 s ARG 63 N 0.44 4.43 0.54 2.79 0.52 -1.26 -0.99 118.95 125.42 1h64 s ARG 63 Ca -0.01 1.72 0.22 0.00 -0.52 0.00 0.00 55.73 57.14 1h64 s ARG 63 Cb -0.14 -3.39 1.43 0.00 0.52 0.00 0.00 34.95 33.38 1h64 s ARG 63 CO 0.02 -0.26 2.11 0.78 0.02 0.00 0.00 175.30 177.97 1h64 h GLY 64 N 6.99 0.00 1.72 -3.53 0.00 -1.76 -2.56 103.07 103.92 1h64 h GLY 64 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1h64 h GLY 64 CO 0.81 0.00 0.14 -1.80 0.00 0.00 0.00 176.54 175.69 1h64 h ASP 65 N 0.00 0.00 0.02 0.19 1.82 -1.87 0.34 116.42 116.92 1h64 h ASP 65 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1h64 h ASP 65 Cb 0.37 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1h64 h ASP 65 CO -0.00 0.00 -0.62 0.59 -1.61 0.00 0.00 179.24 177.60 1h64 n ASN 66 N -3.02 1.63 -4.73 2.28 3.02 -0.96 -4.97 115.26 108.51 1h64 n ASN 66 Ca -0.03 -1.29 -0.41 0.00 -0.03 0.00 0.00 54.58 52.83 1h64 n ASN 66 Cb 0.20 0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.93 1h64 n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h64 s VAL 67 N -2.65 4.78 -0.15 2.41 1.01 0.11 -4.34 120.40 121.56 1h64 s VAL 67 Ca 0.16 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 1h64 s VAL 67 Cb 0.18 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 32.11 1h64 s VAL 67 CO 0.66 0.27 0.30 -0.11 0.00 0.00 0.00 175.10 176.22 1h64 n LEU 68 N 3.29 2.42 -3.66 3.92 7.94 0.12 -5.01 117.00 126.02 1h64 n LEU 68 Ca 0.01 0.26 -0.07 0.00 -1.11 0.00 0.00 56.01 55.11 1h64 n LEU 68 Cb 0.50 -1.07 -0.02 0.00 0.53 0.00 0.00 43.42 43.37 1h64 n LEU 68 CO 0.49 0.69 0.59 0.00 -1.11 0.00 0.00 177.39 178.05 1h64 s ALA 69 N -2.50 -1.57 -0.02 1.96 0.00 -1.07 -5.01 121.76 113.55 1h64 s ALA 69 Ca -0.25 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1h64 s ALA 69 Cb 0.07 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1h64 s ALA 69 CO 0.71 -0.91 0.01 0.42 0.00 0.00 0.00 175.76 175.99 1h64 s ILE 70 N -3.50 0.06 -0.07 0.00 1.01 -1.26 -0.69 121.20 116.76 1h64 s ILE 70 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1h64 s ILE 70 Cb -0.02 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.31 1h64 s ILE 70 CO -0.02 0.10 -0.05 -0.55 0.00 0.00 0.00 174.94 174.42 1h64 s SER 71 N 0.85 1.41 0.07 3.58 0.15 0.16 -4.96 113.70 114.97 1h64 s SER 71 Ca -0.08 -0.17 -0.31 0.00 0.70 0.00 0.00 55.95 56.10 1h64 s SER 71 Cb -0.11 -0.56 -0.07 0.00 -1.71 0.00 0.00 66.02 63.58 1h64 s SER 71 CO -0.02 -0.09 1.30 -2.16 1.20 0.00 0.00 173.24 173.47 1h64 s PRO 72 N 1.28 4.37 0.00 5.44 0.04 -1.26 -0.38 135.00 144.50 1h64 s PRO 72 Ca -0.05 1.91 0.31 0.00 0.04 0.00 0.00 61.00 63.22 1h64 s PRO 72 Cb -0.14 -3.33 1.80 0.00 0.04 0.00 0.00 34.50 32.87 1h64 s PRO 72 CO -0.02 -0.37 2.17 2.41 0.04 0.00 0.00 177.00 181.23