#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 3.46 0.28 3.49 0.52 -1.26 -4.80 118.95 120.64 1h64 s ARG 4 Ca 0.00 1.53 -0.06 0.00 -0.52 0.00 0.00 55.73 56.68 1h64 s ARG 4 Cb 0.00 -2.03 0.50 0.00 0.52 0.00 0.00 34.95 33.95 1h64 s ARG 4 CO 0.00 -0.74 1.56 -2.30 0.02 0.00 0.00 175.30 173.83 1h64 n PRO 5 N -1.25 -0.09 0.04 3.54 -0.02 -1.26 -0.49 135.00 135.48 1h64 n PRO 5 Ca 0.11 1.55 -0.00 0.00 -2.02 0.00 0.00 63.50 63.13 1h64 n PRO 5 Cb 0.51 -2.33 0.30 0.00 -0.02 0.00 0.00 33.50 31.96 1h64 n PRO 5 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1h64 h LEU 6 N 0.00 0.39 -0.19 2.45 -0.00 -1.99 -1.96 115.31 114.01 1h64 h LEU 6 Ca 0.50 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 58.27 1h64 h LEU 6 Cb 0.81 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1h64 h LEU 6 CO -1.01 0.56 0.07 0.44 -0.00 0.00 0.00 178.44 178.49 1h64 h ASP 7 N 0.38 0.27 -0.61 -0.43 3.32 -1.14 0.25 116.42 118.46 1h64 h ASP 7 Ca 0.07 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1h64 h ASP 7 Cb 0.46 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1h64 h ASP 7 CO 0.03 0.38 0.39 0.58 -1.72 0.00 0.00 179.24 178.90 1h64 h VAL 8 N 0.14 1.10 -0.24 -1.35 2.07 -1.24 -1.88 116.25 114.86 1h64 h VAL 8 Ca 0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1h64 h VAL 8 Cb 0.20 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1h64 h VAL 8 CO -0.00 0.14 0.09 0.40 0.02 0.00 0.00 177.57 178.22 1h64 h ILE 9 N 0.77 1.17 -0.78 4.57 1.08 -1.14 -2.91 117.51 120.27 1h64 h ILE 9 Ca 0.24 -0.53 0.08 0.00 -0.39 0.00 0.00 64.86 64.26 1h64 h ILE 9 Cb -0.01 1.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1h64 h ILE 9 CO -0.09 0.18 0.44 -0.74 -0.69 0.00 0.00 178.15 177.25 1h64 h HIS 10 N 0.24 0.81 0.00 1.37 2.76 -0.55 -1.39 115.15 118.39 1h64 h HIS 10 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1h64 h HIS 10 Cb 0.19 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1h64 h HIS 10 CO -0.01 0.36 0.00 0.54 -1.30 0.00 0.00 177.93 177.52 1h64 n ARG 11 N -4.75 0.33 0.00 5.26 1.74 -0.74 -2.83 116.66 115.68 1h64 n ARG 11 Ca 0.12 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.40 1h64 n ARG 11 Cb 0.23 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.45 1h64 n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1h64 n SER 12 N -1.27 2.36 -4.73 0.55 7.64 -0.53 -4.90 113.62 112.75 1h64 n SER 12 Ca 0.11 -1.78 -0.42 0.00 1.01 0.00 0.00 58.87 57.79 1h64 n SER 12 Cb 0.17 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.83 4.16 0.00 -3.43 4.77 -1.13 -0.92 117.00 121.28 1h64 n LEU 13 Ca 0.16 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 1h64 n LEU 13 Cb 0.50 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1h64 n LEU 13 CO 0.16 -0.02 0.00 0.47 -1.33 0.00 0.00 177.39 176.67 1h64 n ASP 14 N 1.63 -0.70 -4.74 -1.43 10.43 0.19 -4.97 116.55 116.96 1h64 n ASP 14 Ca 0.07 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.20 1h64 n ASP 14 Cb 0.36 -0.99 -0.06 0.00 1.84 0.00 0.00 41.12 42.28 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 -0.41 2.64 0.15 -1.24 1.02 -0.10 -4.86 119.74 116.94 1h64 s LYS 15 Ca 0.00 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.52 1h64 s LYS 15 Cb 0.00 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1h64 s LYS 15 CO 0.00 0.40 1.17 0.34 -0.92 0.00 0.00 175.35 176.34 1h64 s ASP 16 N -3.62 7.14 0.12 2.83 -1.08 -1.26 -1.52 116.67 119.27 1h64 s ASP 16 Ca 0.32 2.12 0.03 0.00 -0.52 0.00 0.00 52.55 54.50 1h64 s ASP 16 Cb -0.08 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 1h64 s ASP 16 CO 0.22 -0.35 -0.09 0.68 0.52 0.00 0.00 175.17 176.15 1h64 s VAL 17 N 0.22 0.97 -0.16 1.11 -7.23 0.95 0.95 120.40 117.20 1h64 s VAL 17 Ca 0.53 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1h64 s VAL 17 Cb -0.31 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1h64 s VAL 17 CO 0.34 -0.72 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.06 1h64 s LEU 18 N -2.90 2.62 -0.29 1.32 2.96 -0.09 -2.02 118.68 120.29 1h64 s LEU 18 Ca 0.12 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1h64 s LEU 18 Cb 0.02 -1.61 0.05 0.00 0.50 0.00 0.00 46.19 45.15 1h64 s LEU 18 CO -0.01 0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.39 1h64 s VAL 19 N 0.78 2.83 -0.09 1.68 1.01 0.11 -0.57 120.40 126.16 1h64 s VAL 19 Ca -0.05 -1.37 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 1h64 s VAL 19 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1h64 s VAL 19 CO 0.01 -0.05 0.56 -0.63 0.00 0.00 0.00 175.10 174.99 1h64 s ILE 20 N 1.24 5.12 0.30 2.22 1.01 0.40 -0.21 121.20 131.28 1h64 s ILE 20 Ca -0.05 1.14 0.08 0.00 0.00 0.00 0.00 60.65 61.82 1h64 s ILE 20 Cb -0.19 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1h64 s ILE 20 CO -0.02 0.31 0.19 -0.76 0.00 0.00 0.00 174.94 174.66 1h64 s LEU 21 N 0.59 3.56 0.00 2.97 1.43 -0.49 -0.10 118.68 126.64 1h64 s LEU 21 Ca 0.30 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1h64 s LEU 21 Cb -0.16 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1h64 s LEU 21 CO 0.14 -0.18 0.70 2.29 0.23 0.00 0.00 176.35 179.53 1h64 n LYS 22 N -1.19 0.98 -0.12 1.70 2.85 -1.23 -3.68 118.16 117.46 1h64 n LYS 22 Ca -0.05 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.25 1h64 n LYS 22 Cb 0.59 -1.28 0.06 0.00 -0.65 0.00 0.00 35.03 33.74 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1h64 n LYS 23 N 0.22 1.34 -0.49 -1.58 5.02 -1.26 -4.92 118.16 116.50 1h64 n LYS 23 Ca 0.00 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1h64 n LYS 23 Cb 0.35 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h64 n GLY 24 N -0.73 1.40 3.96 0.72 0.00 -1.24 -5.01 105.19 104.29 1h64 n GLY 24 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.26 3.26 0.10 1.61 0.40 -1.26 -3.47 117.98 115.36 1h64 s PHE 25 Ca 0.00 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.31 1h64 s PHE 25 Cb 0.00 -2.20 0.06 0.00 0.51 0.00 0.00 43.02 41.38 1h64 s PHE 25 CO 0.00 -0.24 0.54 -1.83 0.70 0.00 0.00 175.22 174.40 1h64 s GLU 26 N -4.47 1.15 0.02 0.44 -1.05 -0.55 -1.39 118.70 112.85 1h64 s GLU 26 Ca 0.46 -0.40 0.08 0.00 -0.15 0.00 0.00 54.97 54.97 1h64 s GLU 26 Cb -0.10 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1h64 s GLU 26 CO 0.37 -0.46 -0.24 -0.06 0.95 0.00 0.00 175.26 175.82 1h64 s PHE 27 N -3.19 2.11 -0.04 4.83 0.40 0.71 0.18 117.98 122.98 1h64 s PHE 27 Ca -0.01 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1h64 s PHE 27 Cb -0.00 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.25 1h64 s PHE 27 CO -0.08 0.06 -0.05 0.50 0.70 0.00 0.00 175.22 176.35 1h64 s ARG 28 N -0.97 0.82 -0.02 0.44 3.52 -0.38 0.09 118.95 122.44 1h64 s ARG 28 Ca 0.10 -0.13 -0.08 0.00 -0.13 0.00 0.00 55.73 55.49 1h64 s ARG 28 Cb -0.09 -0.81 0.03 0.00 -1.56 0.00 0.00 34.95 32.51 1h64 s ARG 28 CO 0.01 -0.05 0.36 0.41 -0.81 0.00 0.00 175.30 175.22 1h64 n GLY 29 N 3.89 0.36 3.63 8.12 0.00 -0.85 0.41 105.19 120.75 1h64 n GLY 29 Ca -0.24 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 4.11 -0.24 1.61 3.52 -0.58 -0.04 118.95 125.32 1h64 s ARG 30 Ca 0.09 0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 55.71 1h64 s ARG 30 Cb -0.00 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 1h64 s ARG 30 CO -0.01 -0.26 1.40 -1.17 -0.81 0.00 0.00 175.30 174.45 1h64 s LEU 31 N 2.02 3.95 0.00 -0.88 2.96 -0.58 -0.41 118.68 125.74 1h64 s LEU 31 Ca 0.21 1.45 0.09 0.00 -0.22 0.00 0.00 54.13 55.66 1h64 s LEU 31 Cb -0.15 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.04 1h64 s LEU 31 CO 0.09 -1.08 0.70 2.30 -1.32 0.00 0.00 176.35 177.05 1h64 n ILE 32 N 6.10 0.00 -3.60 6.68 -5.35 -0.21 0.55 119.36 123.54 1h64 n ILE 32 Ca 0.16 -0.47 0.01 0.00 -0.27 0.00 0.00 62.75 62.18 1h64 n ILE 32 Cb 0.46 1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 39.50 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 -0.91 -0.39 0.10 3.28 0.00 -1.21 -4.92 107.32 103.27 1h64 s GLY 33 Ca 0.09 1.06 -0.26 0.00 0.00 0.00 0.00 44.72 45.61 1h64 s GLY 33 CO 0.15 0.27 1.11 -2.52 0.00 0.00 0.00 173.10 172.11 1h64 s TYR 34 N -2.29 -0.03 0.24 1.90 -0.85 -1.26 -1.07 117.35 113.99 1h64 s TYR 34 Ca 0.13 -0.22 0.01 0.00 -0.52 0.00 0.00 57.07 56.47 1h64 s TYR 34 Cb 0.04 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1h64 s TYR 34 CO -0.04 -0.64 0.14 0.16 -1.52 0.00 0.00 175.55 173.65 1h64 s ASP 35 N -3.17 0.72 0.58 -0.18 1.47 -0.84 -4.98 116.67 110.27 1h64 s ASP 35 Ca 0.17 -1.45 0.34 0.00 1.18 0.00 0.00 52.55 52.79 1h64 s ASP 35 Cb 0.00 0.35 1.84 0.00 -0.34 0.00 0.00 42.92 44.77 1h64 s ASP 35 CO 0.01 -0.84 2.03 -0.29 0.68 0.00 0.00 175.17 176.76 1h64 h ILE 36 N 2.46 0.00 -0.00 2.11 2.10 -2.03 0.16 117.51 122.31 1h64 h ILE 36 Ca -0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.59 1h64 h ILE 36 Cb 1.25 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1h64 h ILE 36 CO 0.53 0.00 -0.11 1.41 -1.08 0.00 0.00 178.15 178.90 1h64 n HIS 37 N -2.80 0.00 -1.09 2.19 8.25 -1.26 -4.91 115.22 115.60 1h64 n HIS 37 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1h64 n HIS 37 Cb 0.18 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.10 -0.13 -4.76 2.41 4.32 0.04 -4.54 117.00 113.24 1h64 n LEU 38 Ca 0.13 0.02 -0.39 0.00 -0.02 0.00 0.00 56.01 55.75 1h64 n LEU 38 Cb 0.28 -0.62 -0.06 0.00 -1.62 0.00 0.00 43.42 41.41 1h64 n LEU 38 CO 0.25 -0.05 0.69 0.20 -1.22 0.00 0.00 177.39 177.26 1h64 s ASN 39 N -2.99 7.39 0.13 -1.43 0.01 -1.26 -3.58 114.94 113.22 1h64 s ASN 39 Ca 0.00 2.00 0.04 0.00 -0.71 0.00 0.00 52.86 54.19 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 -0.04 -0.10 0.68 -1.51 0.00 0.00 177.10 176.13 1h64 s VAL 40 N -1.34 1.11 -0.13 1.60 -7.23 -0.63 -1.98 120.40 111.80 1h64 s VAL 40 Ca 0.46 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1h64 s VAL 40 Cb -0.25 -1.73 -0.00 0.00 0.56 0.00 0.00 36.38 34.96 1h64 s VAL 40 CO 0.31 -0.70 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.53 1h64 s VAL 41 N -3.10 2.44 0.08 1.32 1.01 -0.23 -0.87 120.40 121.04 1h64 s VAL 41 Ca 0.14 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1h64 s VAL 41 Cb 0.01 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1h64 s VAL 41 CO 0.00 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.65 1h64 s LEU 42 N 0.52 2.41 0.02 3.92 1.43 0.18 -1.04 118.68 126.12 1h64 s LEU 42 Ca -0.12 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1h64 s LEU 42 Cb -0.17 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1h64 s LEU 42 CO 0.05 0.23 -0.17 0.00 0.23 0.00 0.00 176.35 176.68 1h64 s ALA 43 N -0.95 2.61 -1.14 4.21 0.00 0.45 -0.68 121.76 126.26 1h64 s ALA 43 Ca 0.14 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1h64 s ALA 43 Cb -0.10 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1h64 s ALA 43 CO 0.05 0.57 0.79 -0.25 0.00 0.00 0.00 175.76 176.92 1h64 n ASP 44 N 1.76 -5.27 -4.80 0.00 10.43 0.18 -1.53 116.55 117.32 1h64 n ASP 44 Ca -0.16 -1.04 -0.26 0.00 2.57 0.00 0.00 54.79 55.90 1h64 n ASP 44 Cb 0.52 -3.24 -0.05 0.00 1.84 0.00 0.00 41.12 40.19 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1h64 s ALA 45 N -3.46 3.57 -0.03 2.24 0.00 0.42 -4.33 121.76 120.17 1h64 s ALA 45 Ca 0.48 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1h64 s ALA 45 Cb -0.18 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1h64 s ALA 45 CO 0.87 0.50 -0.24 -1.21 0.00 0.00 0.00 175.76 175.68 1h64 s GLU 46 N -3.13 2.07 -0.13 0.00 2.02 0.17 0.08 118.70 119.77 1h64 s GLU 46 Ca 0.31 -0.85 -0.15 0.00 0.02 0.00 0.00 54.97 54.31 1h64 s GLU 46 Cb -0.10 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 1h64 s GLU 46 CO 0.23 0.46 0.34 1.41 0.02 0.00 0.00 175.26 177.73 1h64 s MET 47 N -0.42 4.21 0.01 1.61 -2.45 0.71 -1.24 119.30 121.73 1h64 s MET 47 Ca 0.05 0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.77 1h64 s MET 47 Cb -0.10 -3.40 -0.02 0.00 1.25 0.00 0.00 34.83 32.55 1h64 s MET 47 CO 0.00 0.28 -0.25 0.42 1.05 0.00 0.00 175.02 176.53 1h64 s ILE 48 N 0.30 2.16 -0.12 10.11 1.01 0.13 -0.60 121.20 134.20 1h64 s ILE 48 Ca 0.19 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 1h64 s ILE 48 Cb -0.14 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.58 1h64 s ILE 48 CO 0.06 0.49 0.01 -1.58 0.00 0.00 0.00 174.94 173.92 1h64 s GLN 49 N -0.88 0.70 -1.47 2.79 0.74 0.49 -1.48 119.66 120.55 1h64 s GLN 49 Ca 0.11 -0.10 -0.11 0.00 0.05 0.00 0.00 55.36 55.31 1h64 s GLN 49 Cb -0.10 -1.40 0.06 0.00 1.10 0.00 0.00 33.01 32.66 1h64 s GLN 49 CO 0.00 -0.41 0.97 -0.25 -0.55 0.00 0.00 175.29 175.05 1h64 n ASP 50 N 5.10 -5.32 0.00 6.67 10.43 -1.23 -1.89 116.55 130.31 1h64 n ASP 50 Ca -0.08 -0.63 0.00 0.00 2.57 0.00 0.00 54.79 56.64 1h64 n ASP 50 Cb 0.49 -4.24 0.00 0.00 1.84 0.00 0.00 41.12 39.21 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 -1.72 0.55 3.15 0.44 0.00 -1.26 -5.05 105.19 101.30 1h64 n GLY 51 Ca 0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.31 1.03 -0.21 1.61 2.02 -0.79 -5.11 118.70 116.93 1h64 s GLU 52 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 1h64 s GLU 52 Cb 0.00 -1.04 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 1h64 s GLU 52 CO 0.00 0.26 1.34 0.08 0.02 0.00 0.00 175.26 176.96 1h64 s VAL 53 N -0.76 4.13 -0.15 2.63 1.01 -1.26 -0.38 120.40 125.62 1h64 s VAL 53 Ca 0.03 1.32 0.20 0.00 0.00 0.00 0.00 61.98 63.54 1h64 s VAL 53 Cb -0.08 -3.99 -0.30 0.00 0.00 0.00 0.00 36.38 32.02 1h64 s VAL 53 CO 0.01 -0.27 0.50 1.33 0.00 0.00 0.00 175.10 176.67 1h64 n VAL 54 N 5.78 0.00 -3.58 2.92 0.24 0.24 -4.96 118.33 118.97 1h64 n VAL 54 Ca 0.15 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.99 1h64 n VAL 54 Cb 0.45 0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.98 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 -3.33 0.64 0.07 7.34 2.20 -1.21 -4.99 119.74 120.47 1h64 s LYS 55 Ca -0.05 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1h64 s LYS 55 Cb 0.13 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1h64 s LYS 55 CO 0.84 -0.28 -0.10 1.03 -0.36 0.00 0.00 175.35 176.47 1h64 s ARG 56 N -2.82 0.73 -0.01 4.03 0.52 -1.26 -0.21 118.95 119.93 1h64 s ARG 56 Ca 0.08 -0.98 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1h64 s ARG 56 Cb -0.00 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 34.96 1h64 s ARG 56 CO -0.06 0.09 -0.01 0.71 0.02 0.00 0.00 175.30 176.05 1h64 s TYR 57 N -1.86 0.19 0.18 -0.53 1.51 0.11 -4.98 117.35 111.97 1h64 s TYR 57 Ca -0.01 -0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.92 1h64 s TYR 57 Cb -0.07 -0.16 0.09 0.00 -0.11 0.00 0.00 41.96 41.71 1h64 s TYR 57 CO 0.00 -0.03 1.72 0.78 -1.11 0.00 0.00 175.55 176.92 1h64 h GLY 58 N 6.33 1.03 -4.87 0.71 0.00 -1.93 0.12 103.07 104.47 1h64 h GLY 58 Ca -0.29 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.35 1h64 h GLY 58 CO 0.50 0.55 -0.13 1.25 0.00 0.00 0.00 176.54 178.71 1h64 s LYS 59 N -5.47 0.66 -0.21 4.80 2.20 -1.26 0.49 119.74 120.95 1h64 s LYS 59 Ca -0.13 0.42 -0.19 0.00 -0.36 0.00 0.00 55.97 55.72 1h64 s LYS 59 Cb 0.13 0.31 0.05 0.00 -1.51 0.00 0.00 37.83 36.82 1h64 s LYS 59 CO 0.81 -0.13 0.55 -1.50 -0.36 0.00 0.00 175.35 174.72 1h64 s ILE 60 N -0.30 -0.00 -0.25 5.43 2.07 0.14 -4.98 121.20 123.31 1h64 s ILE 60 Ca -0.05 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.12 1h64 s ILE 60 Cb -0.03 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 1h64 s ILE 60 CO 0.03 0.00 0.09 -0.69 -1.91 0.00 0.00 174.94 172.46 1h64 s VAL 61 N 0.38 4.55 -0.19 4.00 1.01 -1.26 -0.64 120.40 128.25 1h64 s VAL 61 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1h64 s VAL 61 Cb -0.04 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1h64 s VAL 61 CO -0.00 0.33 0.00 -0.63 0.00 0.00 0.00 175.10 174.80 1h64 s ILE 62 N 1.56 4.09 0.01 2.22 1.01 -0.05 -4.98 121.20 125.06 1h64 s ILE 62 Ca 0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1h64 s ILE 62 Cb -0.15 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1h64 s ILE 62 CO 0.05 0.45 1.28 -0.13 0.00 0.00 0.00 174.94 176.59 1h64 s ARG 63 N 0.72 4.35 0.51 2.79 0.52 -1.26 -1.61 118.95 124.97 1h64 s ARG 63 Ca 0.00 1.84 0.24 0.00 -0.52 0.00 0.00 55.73 57.29 1h64 s ARG 63 Cb -0.14 -3.47 1.34 0.00 0.52 0.00 0.00 34.95 33.20 1h64 s ARG 63 CO 0.02 -0.43 1.98 0.78 0.02 0.00 0.00 175.30 177.66 1h64 h GLY 64 N 7.71 0.12 1.58 -3.53 0.00 -1.79 -2.32 103.07 104.83 1h64 h GLY 64 Ca -0.38 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1h64 h GLY 64 CO 0.87 0.01 0.18 -1.80 0.00 0.00 0.00 176.54 175.79 1h64 h ASP 65 N 0.07 0.00 0.03 0.19 1.82 -1.88 -0.24 116.42 116.41 1h64 h ASP 65 Ca 0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1h64 h ASP 65 Cb 1.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1h64 h ASP 65 CO -0.02 0.00 -0.18 0.59 -1.61 0.00 0.00 179.24 178.02 1h64 n ASN 66 N -3.60 1.97 -4.76 2.28 3.02 -0.87 -4.94 115.26 108.35 1h64 n ASN 66 Ca 0.00 -1.52 -0.39 0.00 -0.03 0.00 0.00 54.58 52.64 1h64 n ASN 66 Cb 0.28 0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.23 4.79 -0.20 2.41 1.01 -0.10 -3.49 120.40 122.58 1h64 s VAL 67 Ca 0.27 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 1h64 s VAL 67 Cb 0.20 -4.01 -0.20 0.00 0.00 0.00 0.00 36.38 32.37 1h64 s VAL 67 CO 0.43 0.42 0.11 0.18 0.00 0.00 0.00 175.10 176.24 1h64 n LEU 68 N 2.58 2.26 -3.71 3.92 4.77 0.86 -4.93 117.00 122.74 1h64 n LEU 68 Ca -0.05 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1h64 n LEU 68 Cb 0.50 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1h64 n LEU 68 CO 0.45 0.59 0.42 0.00 -1.33 0.00 0.00 177.39 177.52 1h64 s ALA 69 N -2.47 -1.28 -0.03 -1.18 0.00 -1.11 -5.01 121.76 110.68 1h64 s ALA 69 Ca -0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 1h64 s ALA 69 Cb 0.08 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1h64 s ALA 69 CO 0.63 -0.92 0.01 0.42 0.00 0.00 0.00 175.76 175.90 1h64 s ILE 70 N -3.86 0.10 -0.11 0.00 1.01 -1.26 -0.45 121.20 116.63 1h64 s ILE 70 Ca 0.08 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.91 1h64 s ILE 70 Cb -0.04 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.22 1h64 s ILE 70 CO -0.00 0.14 -0.16 -0.55 0.00 0.00 0.00 174.94 174.37 1h64 s SER 71 N 1.21 2.45 0.30 3.58 0.15 0.27 -4.96 113.70 116.69 1h64 s SER 71 Ca -0.07 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.86 1h64 s SER 71 Cb -0.13 -1.10 -0.10 0.00 -1.71 0.00 0.00 66.02 62.98 1h64 s SER 71 CO -0.02 0.02 1.29 -2.84 1.20 0.00 0.00 173.24 172.89 1h64 s PRO 72 N 0.94 4.40 0.00 5.44 0.02 -1.26 -0.91 135.00 143.62 1h64 s PRO 72 Ca -0.08 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1h64 s PRO 72 Cb -0.15 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1h64 s PRO 72 CO -0.01 -0.15 0.00 2.41 -0.33 0.00 0.00 177.00 178.92