#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h64 n ARG 4 N 0.00 0.27 -0.27 5.31 1.74 -1.26 -4.66 116.66 117.79 1h64 n ARG 4 Ca 0.00 0.13 0.06 0.00 -0.77 0.00 0.00 57.85 57.27 1h64 n ARG 4 Cb 0.00 -1.78 0.18 0.00 -1.02 0.00 0.00 32.46 29.84 1h64 n ARG 4 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1h64 h PRO 5 N -0.39 0.12 -0.85 5.56 0.11 -2.06 0.17 132.00 134.66 1h64 h PRO 5 Ca -0.45 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1h64 h PRO 5 Cb 1.35 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 1h64 h PRO 5 CO 0.42 0.08 0.54 -0.07 -0.21 0.00 0.00 178.00 178.76 1h64 h LEU 6 N 0.12 0.88 -0.26 2.35 4.07 -2.00 -2.80 115.31 117.67 1h64 h LEU 6 Ca 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.39 1h64 h LEU 6 Cb 0.79 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1h64 h LEU 6 CO -0.67 0.60 0.14 0.44 -1.08 0.00 0.00 178.44 177.87 1h64 h ASP 7 N 1.03 0.33 -0.89 -0.43 3.32 -1.28 -1.90 116.42 116.59 1h64 h ASP 7 Ca 0.35 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.36 1h64 h ASP 7 Cb 0.06 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1h64 h ASP 7 CO -0.13 0.33 0.56 0.58 -1.72 0.00 0.00 179.24 178.86 1h64 h VAL 8 N 0.30 1.05 -0.42 -1.35 2.07 -1.27 -0.96 116.25 115.67 1h64 h VAL 8 Ca 0.09 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1h64 h VAL 8 Cb 0.08 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1h64 h VAL 8 CO -0.01 0.19 0.13 0.40 0.02 0.00 0.00 177.57 178.30 1h64 h ILE 9 N 1.02 1.22 -0.85 4.57 1.08 -1.24 -1.51 117.51 121.79 1h64 h ILE 9 Ca 0.39 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 1h64 h ILE 9 Cb 0.17 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1h64 h ILE 9 CO -0.17 0.25 0.41 -0.74 -0.69 0.00 0.00 178.15 177.21 1h64 h HIS 10 N 0.54 1.22 0.00 1.37 2.76 -0.79 -1.95 115.15 118.30 1h64 h HIS 10 Ca 0.14 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1h64 h HIS 10 Cb 0.26 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1h64 h HIS 10 CO 0.01 0.88 -0.19 0.00 -1.30 0.00 0.00 177.93 177.33 1h64 h ARG 11 N 1.21 0.00 -0.01 5.26 3.08 -0.79 -2.65 114.38 120.49 1h64 h ARG 11 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1h64 h ARG 11 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1h64 h ARG 11 CO -0.04 0.19 0.00 0.43 -1.07 0.00 0.00 179.97 179.49 1h64 n SER 12 N -4.14 0.25 -4.58 7.04 7.64 -0.61 -4.90 113.62 114.33 1h64 n SER 12 Ca -0.02 -1.15 -0.38 0.00 1.01 0.00 0.00 58.87 58.33 1h64 n SER 12 Cb 0.26 -0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.77 3.00 -1.08 -3.43 4.77 -1.00 -1.49 117.00 116.99 1h64 n LEU 13 Ca 0.22 0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 56.87 1h64 n LEU 13 Cb 0.14 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 1h64 n LEU 13 CO 0.16 -2.15 -0.11 -0.90 -1.33 0.00 0.00 177.39 173.07 1h64 n ASP 14 N -0.47 -4.23 -4.59 -1.43 5.68 0.68 -4.95 116.55 107.24 1h64 n ASP 14 Ca 0.13 0.29 -0.27 0.00 -0.50 0.00 0.00 54.79 54.44 1h64 n ASP 14 Cb 0.47 -3.52 -0.11 0.00 -1.14 0.00 0.00 41.12 36.83 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1h64 s LYS 15 N -2.86 1.91 0.01 0.11 2.47 -0.56 -4.90 119.74 115.92 1h64 s LYS 15 Ca 0.00 -2.08 -0.25 0.00 -1.56 0.00 0.00 55.97 52.08 1h64 s LYS 15 Cb 0.00 -1.47 -0.05 0.00 -1.46 0.00 0.00 37.83 34.85 1h64 s LYS 15 CO 0.00 -0.09 0.76 0.34 0.16 0.00 0.00 175.35 176.52 1h64 s ASP 16 N -3.67 7.16 0.09 1.43 2.15 -1.26 -1.30 116.67 121.27 1h64 s ASP 16 Ca 0.34 1.39 0.01 0.00 0.43 0.00 0.00 52.55 54.72 1h64 s ASP 16 Cb 0.09 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1h64 s ASP 16 CO 0.17 -0.05 -0.05 0.68 -0.17 0.00 0.00 175.17 175.75 1h64 s VAL 17 N 0.28 0.58 -0.22 1.11 -7.23 -0.25 0.15 120.40 114.81 1h64 s VAL 17 Ca 0.39 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1h64 s VAL 17 Cb -0.20 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.06 1h64 s VAL 17 CO 0.22 -0.86 -0.08 -0.22 -0.31 0.00 0.00 175.10 173.85 1h64 s LEU 18 N -3.03 2.83 -0.36 1.32 2.96 0.20 -2.27 118.68 120.33 1h64 s LEU 18 Ca 0.12 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 1h64 s LEU 18 Cb 0.06 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1h64 s LEU 18 CO -0.05 -0.05 0.19 -0.69 -1.32 0.00 0.00 176.35 174.43 1h64 s VAL 19 N 1.39 4.55 -0.24 1.68 1.01 0.13 -0.62 120.40 128.31 1h64 s VAL 19 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1h64 s VAL 19 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1h64 s VAL 19 CO -0.06 -0.19 0.25 -0.63 0.00 0.00 0.00 175.10 174.47 1h64 s ILE 20 N 1.56 5.30 0.10 2.22 1.01 0.33 -0.60 121.20 131.12 1h64 s ILE 20 Ca 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 1h64 s ILE 20 Cb -0.19 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1h64 s ILE 20 CO 0.06 0.29 0.29 -0.76 0.00 0.00 0.00 174.94 174.83 1h64 s LEU 21 N 1.29 4.31 0.43 2.97 1.43 -0.83 0.44 118.68 128.72 1h64 s LEU 21 Ca 0.11 0.41 0.30 0.00 -1.03 0.00 0.00 54.13 53.92 1h64 s LEU 21 Cb -0.14 -3.12 1.50 0.00 0.03 0.00 0.00 46.19 44.45 1h64 s LEU 21 CO 0.07 0.11 1.91 0.11 0.23 0.00 0.00 176.35 178.77 1h64 h LYS 22 N 2.89 0.00 0.00 1.70 1.57 -1.80 -2.82 116.57 118.11 1h64 h LYS 22 Ca -0.46 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 1h64 h LYS 22 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1h64 h LYS 22 CO 0.74 0.00 -0.62 -0.22 -0.57 0.00 0.00 179.45 178.78 1h64 h LYS 23 N 0.00 0.00 0.00 3.15 3.11 -1.94 -3.48 116.57 117.41 1h64 h LYS 23 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1h64 h LYS 23 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1h64 h LYS 23 CO 0.00 0.62 0.00 0.41 -2.81 0.00 0.00 179.45 177.67 1h64 n GLY 24 N 0.56 1.35 2.92 5.01 0.00 -1.06 -5.14 105.19 108.83 1h64 n GLY 24 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1h64 n GLY 24 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1h64 n PHE 25 N 0.00 -1.98 -4.05 1.61 -1.74 -1.26 -4.67 117.46 105.37 1h64 n PHE 25 Ca 0.00 -1.64 -0.10 0.00 -0.56 0.00 0.00 57.45 55.15 1h64 n PHE 25 Cb 0.00 -0.39 -0.08 0.00 1.52 0.00 0.00 39.48 40.52 1h64 n PHE 25 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1h64 s GLU 26 N -3.90 1.04 -0.04 3.97 2.02 0.21 -1.97 118.70 120.03 1h64 s GLU 26 Ca 0.39 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 54.12 1h64 s GLU 26 Cb -0.03 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1h64 s GLU 26 CO 0.25 -0.34 -0.13 -0.06 0.02 0.00 0.00 175.26 174.99 1h64 s PHE 27 N -4.00 1.37 -0.04 1.61 0.40 0.23 0.41 117.98 117.95 1h64 s PHE 27 Ca 0.20 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1h64 s PHE 27 Cb 0.05 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.63 1h64 s PHE 27 CO 0.01 -0.14 -0.17 1.03 0.70 0.00 0.00 175.22 176.64 1h64 s ARG 28 N 0.14 1.81 0.00 0.44 0.52 -0.21 0.22 118.95 121.87 1h64 s ARG 28 Ca -0.04 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1h64 s ARG 28 Cb -0.10 -1.57 0.00 0.00 0.52 0.00 0.00 34.95 33.79 1h64 s ARG 28 CO 0.01 0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.99 1h64 n GLY 29 N 3.14 -1.27 3.59 -3.53 0.00 -0.96 0.37 105.19 106.53 1h64 n GLY 29 Ca -0.18 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.89 3.86 -0.09 1.61 3.52 0.06 -1.10 118.95 125.93 1h64 s ARG 30 Ca 0.00 0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.36 1h64 s ARG 30 Cb 0.00 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1h64 s ARG 30 CO 0.00 -0.47 1.50 -1.17 -0.81 0.00 0.00 175.30 174.35 1h64 s LEU 31 N 2.31 4.27 0.00 -0.88 2.96 -0.42 0.12 118.68 127.04 1h64 s LEU 31 Ca 0.19 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1h64 s LEU 31 Cb -0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1h64 s LEU 31 CO 0.11 -0.85 0.84 2.30 -1.32 0.00 0.00 176.35 177.43 1h64 n ILE 32 N 5.37 0.70 0.00 6.68 -5.35 -0.52 -0.23 119.36 126.01 1h64 n ILE 32 Ca 0.16 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1h64 n ILE 32 Cb 0.43 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1h64 n ILE 32 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h64 n GLY 33 N -0.35 0.77 3.71 3.28 0.00 -1.22 -4.95 105.19 106.43 1h64 n GLY 33 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1h64 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h64 s TYR 34 N -2.00 -0.04 0.29 1.61 -0.85 -1.26 -1.97 117.35 113.12 1h64 s TYR 34 Ca 0.00 -0.13 0.04 0.00 -0.52 0.00 0.00 57.07 56.46 1h64 s TYR 34 Cb 0.00 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 1h64 s TYR 34 CO 0.00 -0.45 0.21 0.16 -1.52 0.00 0.00 175.55 173.95 1h64 s ASP 35 N -3.10 1.21 0.61 -0.18 3.84 -1.05 -5.00 116.67 113.00 1h64 s ASP 35 Ca 0.16 -1.61 0.35 0.00 -0.00 0.00 0.00 52.55 51.45 1h64 s ASP 35 Cb 0.02 0.48 1.96 0.00 -1.38 0.00 0.00 42.92 44.00 1h64 s ASP 35 CO -0.01 -0.97 2.25 -0.29 -0.00 0.00 0.00 175.17 176.16 1h64 h ILE 36 N 2.29 0.31 -0.18 2.11 6.09 -2.03 -1.91 117.51 124.19 1h64 h ILE 36 Ca -0.30 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1h64 h ILE 36 Cb 1.24 1.09 0.00 0.00 0.47 0.00 0.00 36.82 39.62 1h64 h ILE 36 CO 0.44 0.02 0.00 1.41 -3.07 0.00 0.00 178.15 176.95 1h64 n HIS 37 N -3.49 0.24 -1.83 2.19 8.25 -1.26 -4.89 115.22 114.43 1h64 n HIS 37 Ca -0.03 -0.12 -0.08 0.00 -0.26 0.00 0.00 57.72 57.23 1h64 n HIS 37 Cb 0.12 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 0.20 -1.10 -4.81 2.41 4.77 -0.72 -4.44 117.00 113.31 1h64 n LEU 38 Ca 0.14 0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.85 1h64 n LEU 38 Cb 0.28 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 39.85 1h64 n LEU 38 CO 0.11 -0.21 0.68 0.20 -1.33 0.00 0.00 177.39 176.83 1h64 s ASN 39 N -2.73 6.74 0.11 -1.43 0.01 -1.26 -3.40 114.94 112.98 1h64 s ASN 39 Ca 0.00 1.80 0.03 0.00 -0.71 0.00 0.00 52.86 53.98 1h64 s ASN 39 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1h64 s ASN 39 CO 0.00 -0.50 -0.08 0.68 -1.51 0.00 0.00 177.10 175.69 1h64 s VAL 40 N -2.05 0.83 -0.10 1.60 -7.23 0.29 -2.51 120.40 111.22 1h64 s VAL 40 Ca 0.63 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 1h64 s VAL 40 Cb -0.13 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1h64 s VAL 40 CO 0.17 -0.79 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.26 1h64 s VAL 41 N -3.32 1.93 0.12 1.32 1.01 -0.83 -0.17 120.40 120.46 1h64 s VAL 41 Ca 0.11 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1h64 s VAL 41 Cb 0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1h64 s VAL 41 CO -0.03 0.53 -0.22 -0.76 0.00 0.00 0.00 175.10 174.62 1h64 s LEU 42 N 0.49 2.33 0.08 3.92 1.43 -0.63 -1.44 118.68 124.86 1h64 s LEU 42 Ca -0.16 -0.73 0.07 0.00 -1.03 0.00 0.00 54.13 52.28 1h64 s LEU 42 Cb -0.17 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 1h64 s LEU 42 CO 0.06 0.07 -0.11 0.00 0.23 0.00 0.00 176.35 176.60 1h64 s ALA 43 N -1.27 2.89 -1.20 4.21 0.00 0.32 -1.45 121.76 125.25 1h64 s ALA 43 Ca 0.10 -1.21 -0.33 0.00 0.00 0.00 0.00 51.96 50.51 1h64 s ALA 43 Cb -0.09 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1h64 s ALA 43 CO 0.05 0.62 0.69 -0.25 0.00 0.00 0.00 175.76 176.87 1h64 n ASP 44 N 0.96 -4.24 -4.94 0.00 8.00 -0.49 -0.76 116.55 115.08 1h64 n ASP 44 Ca -0.14 -1.28 -0.26 0.00 0.71 0.00 0.00 54.79 53.82 1h64 n ASP 44 Cb 0.52 -1.76 -0.03 0.00 -0.02 0.00 0.00 41.12 39.84 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 -3.50 3.89 -0.01 2.24 0.00 -0.35 -4.40 121.76 119.64 1h64 s ALA 45 Ca 0.48 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1h64 s ALA 45 Cb -0.26 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1h64 s ALA 45 CO 0.97 0.43 -0.18 -1.21 0.00 0.00 0.00 175.76 175.77 1h64 s GLU 46 N -3.41 1.44 -0.18 0.00 2.02 0.16 -0.11 118.70 118.62 1h64 s GLU 46 Ca 0.36 -0.68 -0.12 0.00 0.02 0.00 0.00 54.97 54.55 1h64 s GLU 46 Cb -0.11 -1.41 -0.05 0.00 0.10 0.00 0.00 34.13 32.66 1h64 s GLU 46 CO 0.29 0.38 0.22 1.41 0.02 0.00 0.00 175.26 177.59 1h64 s MET 47 N -0.53 4.22 -0.19 1.61 -2.45 0.27 -1.05 119.30 121.18 1h64 s MET 47 Ca 0.07 -0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.47 1h64 s MET 47 Cb -0.07 -3.43 0.02 0.00 1.25 0.00 0.00 34.83 32.59 1h64 s MET 47 CO -0.00 0.24 -0.18 0.42 1.05 0.00 0.00 175.02 176.55 1h64 s ILE 48 N 0.50 2.23 -0.09 10.11 1.01 0.16 -0.72 121.20 134.41 1h64 s ILE 48 Ca 0.13 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1h64 s ILE 48 Cb -0.12 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1h64 s ILE 48 CO 0.02 0.49 -0.19 -1.10 0.00 0.00 0.00 174.94 174.16 1h64 s GLN 49 N 1.30 2.47 -1.71 2.79 -0.21 -0.68 -0.62 119.66 123.01 1h64 s GLN 49 Ca 0.04 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 1h64 s GLN 49 Cb -0.14 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 31.96 1h64 s GLN 49 CO -0.11 0.11 0.20 -0.25 -2.12 0.00 0.00 175.29 173.12 1h64 n ASP 50 N 3.66 -5.98 -0.79 5.90 10.43 -1.26 -1.21 116.55 127.30 1h64 n ASP 50 Ca -0.21 -0.11 -0.10 0.00 2.57 0.00 0.00 54.79 56.94 1h64 n ASP 50 Cb 0.52 -4.93 -0.04 0.00 1.84 0.00 0.00 41.12 38.51 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1h64 n GLY 51 N -1.19 1.14 3.08 0.44 0.00 -1.26 -4.99 105.19 102.41 1h64 n GLY 51 Ca -0.20 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.73 2.18 0.05 1.61 2.02 -0.35 -5.10 118.70 116.39 1h64 s GLU 52 Ca 0.00 -0.57 -0.31 0.00 0.02 0.00 0.00 54.97 54.12 1h64 s GLU 52 Cb 0.00 -1.78 -0.08 0.00 0.10 0.00 0.00 34.13 32.38 1h64 s GLU 52 CO 0.00 0.02 1.62 0.08 0.02 0.00 0.00 175.26 177.01 1h64 s VAL 53 N 0.72 3.18 -0.06 2.63 1.01 -1.26 -1.68 120.40 124.94 1h64 s VAL 53 Ca -0.12 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.55 1h64 s VAL 53 Cb -0.16 -3.38 -0.16 0.00 0.00 0.00 0.00 36.38 32.68 1h64 s VAL 53 CO 0.03 -0.01 0.16 1.33 0.00 0.00 0.00 175.10 176.61 1h64 n VAL 54 N 4.79 0.35 -3.58 2.92 0.24 0.11 -4.96 118.33 118.20 1h64 n VAL 54 Ca 0.16 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 1h64 n VAL 54 Cb 0.41 -0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 32.54 1h64 n VAL 54 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1h64 s LYS 55 N -2.57 1.12 0.04 7.34 1.02 -1.23 -4.99 119.74 120.47 1h64 s LYS 55 Ca -0.05 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1h64 s LYS 55 Cb 0.06 0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 37.84 1h64 s LYS 55 CO 0.48 -0.45 -0.13 1.03 -0.92 0.00 0.00 175.35 175.36 1h64 s ARG 56 N -3.75 0.82 0.04 1.68 0.52 -1.26 -0.57 118.95 116.43 1h64 s ARG 56 Ca 0.02 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 1h64 s ARG 56 Cb 0.01 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 1h64 s ARG 56 CO -0.12 0.19 -0.10 0.71 0.02 0.00 0.00 175.30 176.00 1h64 s TYR 57 N -0.94 0.84 0.14 -0.53 1.51 0.85 -4.99 117.35 114.23 1h64 s TYR 57 Ca -0.01 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 1h64 s TYR 57 Cb -0.08 -0.50 -0.07 0.00 -0.11 0.00 0.00 41.96 41.20 1h64 s TYR 57 CO 0.01 -0.03 1.32 0.78 -1.11 0.00 0.00 175.55 176.53 1h64 h GLY 58 N 4.70 0.44 -4.98 0.71 0.00 -1.92 -0.88 103.07 101.13 1h64 h GLY 58 Ca -0.36 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.15 1h64 h GLY 58 CO 0.42 0.67 0.06 1.25 0.00 0.00 0.00 176.54 178.94 1h64 s LYS 59 N -3.31 0.78 -0.20 4.80 2.20 -1.26 -1.40 119.74 121.36 1h64 s LYS 59 Ca -0.06 0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 56.31 1h64 s LYS 59 Cb 0.09 0.38 0.07 0.00 -1.51 0.00 0.00 37.83 36.86 1h64 s LYS 59 CO 0.86 -0.11 0.46 -1.50 -0.36 0.00 0.00 175.35 174.70 1h64 s ILE 60 N 0.23 -0.20 -0.23 5.43 2.07 -0.53 -4.99 121.20 122.97 1h64 s ILE 60 Ca -0.01 0.09 -0.17 0.00 -1.41 0.00 0.00 60.65 59.16 1h64 s ILE 60 Cb -0.04 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 1h64 s ILE 60 CO 0.02 0.04 0.45 -0.69 -1.91 0.00 0.00 174.94 172.84 1h64 s VAL 61 N 1.77 5.14 -0.16 4.00 1.01 -1.26 -1.60 120.40 129.31 1h64 s VAL 61 Ca -0.08 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1h64 s VAL 61 Cb -0.09 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1h64 s VAL 61 CO -0.14 0.17 -0.04 -0.63 0.00 0.00 0.00 175.10 174.46 1h64 s ILE 62 N 1.79 3.85 0.11 2.22 1.01 0.76 -4.96 121.20 125.98 1h64 s ILE 62 Ca 0.20 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1h64 s ILE 62 Cb -0.15 -2.69 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 1h64 s ILE 62 CO 0.09 0.49 1.17 -0.13 0.00 0.00 0.00 174.94 176.56 1h64 s ARG 63 N 0.38 4.49 0.48 2.79 0.52 -1.26 -0.55 118.95 125.80 1h64 s ARG 63 Ca -0.04 1.77 0.23 0.00 -0.52 0.00 0.00 55.73 57.17 1h64 s ARG 63 Cb -0.14 -3.31 1.20 0.00 0.52 0.00 0.00 34.95 33.22 1h64 s ARG 63 CO 0.03 -0.13 1.98 0.78 0.02 0.00 0.00 175.30 177.98 1h64 h GLY 64 N 6.05 0.00 1.62 -3.53 0.00 -1.77 -3.14 103.07 102.30 1h64 h GLY 64 Ca -0.43 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1h64 h GLY 64 CO 0.77 0.00 0.18 -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 3.58 -1.87 -0.20 116.42 118.10 1h64 h ASP 65 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1h64 h ASP 65 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1h64 h ASP 65 CO 0.02 0.00 -0.00 0.59 -2.88 0.00 0.00 179.24 176.97 1h64 n ASN 66 N -3.22 2.33 -4.72 2.28 3.02 -1.19 -4.98 115.26 108.78 1h64 n ASN 66 Ca -0.01 -1.66 -0.41 0.00 -0.03 0.00 0.00 54.58 52.46 1h64 n ASN 66 Cb 0.25 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.33 4.40 -0.13 2.41 1.01 -0.09 -2.58 120.40 124.08 1h64 s VAL 67 Ca 0.19 1.87 -0.09 0.00 0.00 0.00 0.00 61.98 63.94 1h64 s VAL 67 Cb 0.13 -4.19 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 1h64 s VAL 67 CO 0.20 0.23 0.34 -0.11 0.00 0.00 0.00 175.10 175.75 1h64 n LEU 68 N 3.23 2.51 -3.48 3.92 7.94 0.17 -4.83 117.00 126.46 1h64 n LEU 68 Ca 0.05 0.25 -0.10 0.00 -1.11 0.00 0.00 56.01 55.10 1h64 n LEU 68 Cb 0.49 -1.10 -0.02 0.00 0.53 0.00 0.00 43.42 43.32 1h64 n LEU 68 CO 0.53 0.76 0.60 0.00 -1.11 0.00 0.00 177.39 178.17 1h64 s ALA 69 N -2.53 -1.76 -0.05 1.96 0.00 -0.97 -5.02 121.76 113.40 1h64 s ALA 69 Ca -0.24 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1h64 s ALA 69 Cb 0.07 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1h64 s ALA 69 CO 0.74 -0.69 -0.11 0.42 0.00 0.00 0.00 175.76 176.11 1h64 s ILE 70 N -3.20 1.02 -0.05 0.00 1.01 -1.26 -0.51 121.20 118.21 1h64 s ILE 70 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1h64 s ILE 70 Cb -0.01 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.57 1h64 s ILE 70 CO -0.09 0.32 0.01 -0.55 0.00 0.00 0.00 174.94 174.63 1h64 s SER 71 N 0.42 1.12 0.32 3.58 0.15 0.21 -4.95 113.70 114.56 1h64 s SER 71 Ca -0.09 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.25 1h64 s SER 71 Cb -0.13 -0.31 -0.09 0.00 -1.71 0.00 0.00 66.02 63.78 1h64 s SER 71 CO 0.02 -0.17 1.14 -2.16 1.20 0.00 0.00 173.24 173.26 1h64 s PRO 72 N 1.70 4.43 0.00 5.44 0.04 -1.26 0.59 135.00 145.94 1h64 s PRO 72 Ca 0.00 1.83 0.06 0.00 0.04 0.00 0.00 61.00 62.94 1h64 s PRO 72 Cb -0.13 -3.00 0.39 0.00 0.04 0.00 0.00 34.50 31.80 1h64 s PRO 72 CO -0.03 0.01 0.85 2.41 0.04 0.00 0.00 177.00 180.28