#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 2.97 0.25 3.49 0.52 -1.26 -4.79 118.95 120.13 1h64 s ARG 4 Ca 0.00 1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 56.47 1h64 s ARG 4 Cb 0.00 -1.97 0.37 0.00 0.52 0.00 0.00 34.95 33.87 1h64 s ARG 4 CO 0.00 -1.12 1.57 -1.35 0.02 0.00 0.00 175.30 174.43 1h64 h PRO 5 N 0.23 -0.01 0.00 3.54 0.11 -2.05 0.11 132.00 133.93 1h64 h PRO 5 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1h64 h PRO 5 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1h64 h PRO 5 CO 0.55 -0.01 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.93 1h64 h LEU 6 N -0.01 0.00 -0.28 2.35 -0.00 -1.99 -2.33 115.31 113.05 1h64 h LEU 6 Ca 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.26 1h64 h LEU 6 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1h64 h LEU 6 CO -0.93 0.34 0.02 0.44 -0.00 0.00 0.00 178.44 178.31 1h64 h ASP 7 N 0.00 0.46 -0.67 -0.43 3.45 -1.15 0.10 116.42 118.18 1h64 h ASP 7 Ca -0.00 -0.29 -0.02 0.00 0.43 0.00 0.00 57.03 57.16 1h64 h ASP 7 Cb 0.61 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 39.23 1h64 h ASP 7 CO 0.04 0.63 0.36 0.58 -1.57 0.00 0.00 179.24 179.28 1h64 h VAL 8 N 0.27 1.21 -0.36 -1.35 2.07 -1.23 0.12 116.25 116.98 1h64 h VAL 8 Ca 0.08 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1h64 h VAL 8 Cb 0.38 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1h64 h VAL 8 CO 0.01 0.24 -0.06 0.40 0.02 0.00 0.00 177.57 178.17 1h64 h ILE 9 N 0.92 1.27 -0.43 4.57 2.04 -1.29 -2.13 117.51 122.47 1h64 h ILE 9 Ca 0.23 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1h64 h ILE 9 Cb 0.06 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1h64 h ILE 9 CO -0.04 0.37 0.27 -0.74 0.00 0.00 0.00 178.15 178.01 1h64 h HIS 10 N 0.48 0.55 0.00 1.37 2.76 -0.76 -1.21 115.15 118.34 1h64 h HIS 10 Ca 0.09 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1h64 h HIS 10 Cb 0.56 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.33 1h64 h HIS 10 CO 0.05 0.37 -0.02 -0.09 -1.30 0.00 0.00 177.93 176.94 1h64 h ARG 11 N 0.57 0.00 -0.12 5.26 2.43 -0.79 -2.11 114.38 119.62 1h64 h ARG 11 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1h64 h ARG 11 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1h64 h ARG 11 CO -0.03 0.02 0.00 0.43 -1.51 0.00 0.00 179.97 178.88 1h64 n SER 12 N -3.27 1.24 -4.74 -3.80 7.64 -0.46 -4.89 113.62 105.33 1h64 n SER 12 Ca -0.02 -1.64 -0.42 0.00 1.01 0.00 0.00 58.87 57.80 1h64 n SER 12 Cb 0.13 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 1h64 n SER 12 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1h64 s LEU 13 N -1.57 4.35 -0.18 -3.43 1.43 -0.80 -1.12 118.68 117.36 1h64 s LEU 13 Ca 0.31 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.36 1h64 s LEU 13 Cb 0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1h64 s LEU 13 CO 0.25 -0.94 0.00 0.47 0.23 0.00 0.00 176.35 176.36 1h64 n ASP 14 N 2.55 -4.24 -4.71 2.29 10.43 0.21 -4.99 116.55 118.08 1h64 n ASP 14 Ca 0.10 0.04 -0.23 0.00 2.57 0.00 0.00 54.79 57.27 1h64 n ASP 14 Cb 0.37 -1.89 -0.07 0.00 1.84 0.00 0.00 41.12 41.37 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 -1.21 2.31 0.06 -1.24 1.02 -0.28 -4.86 119.74 115.53 1h64 s LYS 15 Ca 0.00 -1.59 -0.25 0.00 0.02 0.00 0.00 55.97 54.15 1h64 s LYS 15 Cb 0.00 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1h64 s LYS 15 CO 0.00 0.12 0.75 0.34 -0.92 0.00 0.00 175.35 175.64 1h64 s ASP 16 N -3.81 7.22 0.07 2.83 -1.08 -1.26 -0.73 116.67 119.91 1h64 s ASP 16 Ca 0.37 1.46 0.02 0.00 -0.52 0.00 0.00 52.55 53.88 1h64 s ASP 16 Cb -0.02 -2.46 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 1h64 s ASP 16 CO 0.22 0.05 -0.07 0.68 0.52 0.00 0.00 175.17 176.56 1h64 s VAL 17 N -0.23 0.63 -0.23 1.11 -7.23 -0.26 -1.45 120.40 112.75 1h64 s VAL 17 Ca 0.38 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 59.01 1h64 s VAL 17 Cb -0.21 -1.12 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 1h64 s VAL 17 CO 0.23 -0.61 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.18 1h64 s LEU 18 N -2.27 3.03 -0.35 1.32 2.96 0.39 -2.54 118.68 121.22 1h64 s LEU 18 Ca 0.00 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1h64 s LEU 18 Cb -0.03 -1.78 0.05 0.00 0.50 0.00 0.00 46.19 44.93 1h64 s LEU 18 CO -0.02 -0.02 0.13 -0.69 -1.32 0.00 0.00 176.35 174.42 1h64 s VAL 19 N 1.51 3.81 -0.23 1.68 1.01 0.08 -0.47 120.40 127.80 1h64 s VAL 19 Ca 0.06 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 1h64 s VAL 19 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1h64 s VAL 19 CO -0.02 -0.23 0.38 -0.63 0.00 0.00 0.00 175.10 174.60 1h64 s ILE 20 N 1.39 5.19 0.31 2.22 1.01 0.16 -1.23 121.20 130.25 1h64 s ILE 20 Ca -0.01 0.64 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 1h64 s ILE 20 Cb -0.20 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1h64 s ILE 20 CO 0.02 0.21 0.53 -0.76 0.00 0.00 0.00 174.94 174.95 1h64 s LEU 21 N 1.64 4.05 0.28 2.97 1.02 -0.78 0.22 118.68 128.07 1h64 s LEU 21 Ca 0.17 0.56 0.13 0.00 0.02 0.00 0.00 54.13 55.01 1h64 s LEU 21 Cb -0.15 -3.39 0.70 0.00 0.02 0.00 0.00 46.19 43.36 1h64 s LEU 21 CO 0.08 -0.23 1.30 0.29 0.02 0.00 0.00 176.35 177.81 1h64 n LYS 22 N -1.31 0.09 -1.21 1.70 5.02 -0.80 -2.99 118.16 118.65 1h64 n LYS 22 Ca -0.03 0.55 -0.21 0.00 -2.02 0.00 0.00 58.31 56.60 1h64 n LYS 22 Cb 0.55 -2.01 0.15 0.00 -0.02 0.00 0.00 35.03 33.70 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h64 n LYS 23 N -1.99 2.37 0.00 1.97 5.02 -1.26 -4.95 118.16 119.32 1h64 n LYS 23 Ca -0.01 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 53.03 1h64 n LYS 23 Cb 0.25 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -1.04 2.77 3.96 0.72 0.00 -1.16 -5.00 105.19 105.43 1h64 n GLY 24 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 1h64 n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h64 s PHE 25 N -0.72 3.16 0.14 1.61 -0.12 -1.26 -4.59 117.98 116.21 1h64 s PHE 25 Ca 0.00 0.10 -0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1h64 s PHE 25 Cb 0.00 -2.28 -0.04 0.00 -0.63 0.00 0.00 43.02 40.07 1h64 s PHE 25 CO 0.00 -0.32 0.06 -1.21 -0.05 0.00 0.00 175.22 173.70 1h64 s GLU 26 N -4.48 0.96 0.02 1.99 2.02 -0.02 -1.87 118.70 117.32 1h64 s GLU 26 Ca 0.48 -1.46 0.07 0.00 0.02 0.00 0.00 54.97 54.08 1h64 s GLU 26 Cb -0.10 0.21 -0.02 0.00 0.10 0.00 0.00 34.13 34.32 1h64 s GLU 26 CO 0.36 -0.26 -0.20 -0.06 0.02 0.00 0.00 175.26 175.13 1h64 s PHE 27 N -4.03 1.73 -0.01 1.61 0.40 -0.36 0.89 117.98 118.21 1h64 s PHE 27 Ca 0.25 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1h64 s PHE 27 Cb 0.07 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1h64 s PHE 27 CO 0.03 0.03 -0.06 0.50 0.70 0.00 0.00 175.22 176.42 1h64 s ARG 28 N -0.84 0.56 0.00 0.44 3.52 0.20 -0.74 118.95 122.09 1h64 s ARG 28 Ca 0.07 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1h64 s ARG 28 Cb -0.08 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 1h64 s ARG 28 CO 0.01 0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1h64 n GLY 29 N 3.14 -1.26 3.66 8.12 0.00 -1.05 0.13 105.19 117.92 1h64 n GLY 29 Ca -0.15 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.49 4.22 -0.18 1.61 3.52 -0.25 -1.10 118.95 126.27 1h64 s ARG 30 Ca 0.00 0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 55.93 1h64 s ARG 30 Cb 0.00 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1h64 s ARG 30 CO 0.00 -0.23 1.41 -1.17 -0.81 0.00 0.00 175.30 174.49 1h64 s LEU 31 N 1.89 4.10 0.00 -0.88 2.96 0.09 0.01 118.68 126.85 1h64 s LEU 31 Ca 0.29 1.68 0.03 0.00 -0.22 0.00 0.00 54.13 55.92 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 0.10 -0.95 0.40 2.30 -1.32 0.00 0.00 176.35 176.89 1h64 n ILE 32 N 5.75 0.00 -3.59 6.68 -5.35 -0.13 0.64 119.36 123.36 1h64 n ILE 32 Ca 0.16 -0.47 -0.05 0.00 -0.27 0.00 0.00 62.75 62.12 1h64 n ILE 32 Cb 0.45 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.37 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 -0.71 -0.36 0.03 3.28 0.00 -1.17 -4.93 107.32 103.46 1h64 s GLY 33 Ca 0.03 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.56 1h64 s GLY 33 CO 0.08 0.34 1.08 -2.52 0.00 0.00 0.00 173.10 172.08 1h64 s TYR 34 N -2.75 -0.14 0.37 1.90 -0.85 -1.26 -1.46 117.35 113.16 1h64 s TYR 34 Ca 0.09 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.66 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 -0.05 -0.53 0.19 0.16 -1.52 0.00 0.00 175.55 173.81 1h64 s ASP 35 N -2.76 2.28 0.64 -0.18 1.47 -0.91 -4.99 116.67 112.22 1h64 s ASP 35 Ca 0.11 -1.71 0.41 0.00 1.18 0.00 0.00 52.55 52.54 1h64 s ASP 35 Cb 0.01 0.54 2.17 0.00 -0.34 0.00 0.00 42.92 45.30 1h64 s ASP 35 CO -0.03 -0.99 2.29 -0.29 0.68 0.00 0.00 175.17 176.83 1h64 h ILE 36 N 1.94 0.06 -0.01 2.11 6.09 -2.03 -1.07 117.51 124.61 1h64 h ILE 36 Ca -0.31 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1h64 h ILE 36 Cb 1.26 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.65 1h64 h ILE 36 CO 0.48 0.01 -0.04 1.41 -3.07 0.00 0.00 178.15 176.93 1h64 n HIS 37 N -3.16 0.00 -1.51 2.19 8.25 -1.26 -4.91 115.22 114.82 1h64 n HIS 37 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1h64 n HIS 37 Cb 0.12 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.45 -0.72 -4.77 2.41 4.32 -0.40 -4.38 117.00 113.00 1h64 n LEU 38 Ca 0.19 0.08 -0.38 0.00 -0.02 0.00 0.00 56.01 55.89 1h64 n LEU 38 Cb 0.27 -1.14 -0.05 0.00 -1.62 0.00 0.00 43.42 40.89 1h64 n LEU 38 CO 0.19 -0.20 0.72 0.20 -1.22 0.00 0.00 177.39 177.08 1h64 s ASN 39 N -2.87 7.09 0.10 -1.43 0.01 -1.26 -3.18 114.94 113.40 1h64 s ASN 39 Ca 0.00 2.04 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 39.03 1h64 s ASN 39 CO 0.00 -0.25 -0.10 0.68 -1.51 0.00 0.00 177.10 175.92 1h64 s VAL 40 N -1.49 0.94 -0.14 1.60 -7.23 -0.04 -2.13 120.40 111.91 1h64 s VAL 40 Ca 0.51 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1h64 s VAL 40 Cb -0.24 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1h64 s VAL 40 CO 0.30 -0.58 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.61 1h64 s VAL 41 N -2.55 1.97 -0.01 1.32 1.01 -0.53 0.04 120.40 121.65 1h64 s VAL 41 Ca 0.06 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1h64 s VAL 41 Cb -0.02 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1h64 s VAL 41 CO -0.00 0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 174.66 1h64 s LEU 42 N 0.96 2.38 0.05 3.92 1.43 -0.48 -0.96 118.68 125.98 1h64 s LEU 42 Ca -0.04 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1h64 s LEU 42 Cb -0.15 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1h64 s LEU 42 CO -0.05 0.31 0.03 0.00 0.23 0.00 0.00 176.35 176.88 1h64 s ALA 43 N -0.73 3.41 -1.25 4.21 0.00 0.10 -1.28 121.76 126.22 1h64 s ALA 43 Ca 0.12 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 1h64 s ALA 43 Cb -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1h64 s ALA 43 CO 0.01 0.70 0.63 -3.47 0.00 0.00 0.00 175.76 173.63 1h64 n ASP 44 N 0.84 -3.46 -4.92 0.00 2.03 0.13 -1.10 116.55 110.07 1h64 n ASP 44 Ca -0.11 -1.10 -0.26 0.00 0.52 0.00 0.00 54.79 53.83 1h64 n ASP 44 Cb 0.52 -2.77 0.00 0.00 -0.72 0.00 0.00 41.12 38.16 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h64 s ALA 45 N -3.65 3.47 -0.06 -1.67 0.00 -0.68 -4.42 121.76 114.75 1h64 s ALA 45 Ca 0.34 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 1h64 s ALA 45 Cb -0.15 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1h64 s ALA 45 CO 0.90 -0.39 0.01 -1.21 0.00 0.00 0.00 175.76 175.08 1h64 s GLU 46 N -4.70 0.45 0.03 0.00 2.02 0.35 -2.04 118.70 114.81 1h64 s GLU 46 Ca 0.48 0.16 -0.29 0.00 0.02 0.00 0.00 54.97 55.33 1h64 s GLU 46 Cb -0.10 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.25 1h64 s GLU 46 CO 0.43 -0.29 0.93 1.41 0.02 0.00 0.00 175.26 177.76 1h64 s MET 47 N 1.93 4.58 -0.06 1.61 -2.45 -0.80 -0.62 119.30 123.49 1h64 s MET 47 Ca 0.04 1.35 0.05 0.00 -1.25 0.00 0.00 55.69 55.87 1h64 s MET 47 Cb -0.12 -3.43 -0.00 0.00 1.25 0.00 0.00 34.83 32.53 1h64 s MET 47 CO -0.04 0.06 -0.20 0.42 1.05 0.00 0.00 175.02 176.31 1h64 s ILE 48 N 0.63 1.64 -0.12 10.11 1.01 0.26 -1.11 121.20 133.61 1h64 s ILE 48 Ca 0.48 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1h64 s ILE 48 Cb -0.21 -1.41 0.03 0.00 0.01 0.00 0.00 42.46 40.88 1h64 s ILE 48 CO 0.27 0.47 -0.03 -1.58 0.00 0.00 0.00 174.94 174.06 1h64 s GLN 49 N 0.09 1.12 -0.26 2.79 0.74 -0.52 -0.84 119.66 122.79 1h64 s GLN 49 Ca -0.07 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1h64 s GLN 49 Cb -0.13 -1.54 0.00 0.00 1.10 0.00 0.00 33.01 32.44 1h64 s GLN 49 CO 0.04 -0.35 0.00 -0.25 -0.55 0.00 0.00 175.29 174.17 1h64 n ASP 50 N 5.00 -5.79 0.00 6.67 10.43 -1.26 -1.51 116.55 130.09 1h64 n ASP 50 Ca -0.10 0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.32 1h64 n ASP 50 Cb 0.49 -3.51 0.00 0.00 1.84 0.00 0.00 41.12 39.94 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 0.64 1.02 3.40 0.44 0.00 -1.26 -5.10 105.19 104.32 1h64 n GLY 51 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.68 3.45 -0.14 1.61 2.02 -0.57 -5.09 118.70 119.30 1h64 s GLU 52 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1h64 s GLU 52 Cb 0.00 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 1h64 s GLU 52 CO 0.00 0.21 1.19 0.08 0.02 0.00 0.00 175.26 176.76 1h64 s VAL 53 N 0.38 4.38 -0.24 2.63 1.01 -1.26 -1.43 120.40 125.86 1h64 s VAL 53 Ca -0.09 1.68 0.09 0.00 0.00 0.00 0.00 61.98 63.65 1h64 s VAL 53 Cb -0.16 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 1h64 s VAL 53 CO 0.05 -0.09 0.29 1.33 0.00 0.00 0.00 175.10 176.68 1h64 n VAL 54 N 5.06 0.00 -3.56 2.92 0.24 -0.27 -5.00 118.33 117.72 1h64 n VAL 54 Ca 0.12 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 1h64 n VAL 54 Cb 0.46 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.49 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 -2.13 1.08 0.05 7.34 1.02 -1.25 -4.99 119.74 120.86 1h64 s LYS 55 Ca 0.01 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.67 1h64 s LYS 55 Cb 0.06 0.49 -0.02 0.00 -0.52 0.00 0.00 37.83 37.84 1h64 s LYS 55 CO 0.36 -0.41 -0.15 1.03 -0.92 0.00 0.00 175.35 175.26 1h64 s ARG 56 N -2.94 0.91 0.00 1.68 1.81 -1.26 -1.90 118.95 117.26 1h64 s ARG 56 Ca -0.03 -0.85 0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1h64 s ARG 56 Cb -0.00 -0.93 -0.01 0.00 -0.45 0.00 0.00 34.95 33.56 1h64 s ARG 56 CO -0.06 0.22 -0.03 0.71 -0.68 0.00 0.00 175.30 175.46 1h64 s TYR 57 N -1.02 0.30 0.05 -0.53 1.51 -0.86 -4.99 117.35 111.82 1h64 s TYR 57 Ca 0.01 -0.13 -0.25 0.00 -1.01 0.00 0.00 57.07 55.68 1h64 s TYR 57 Cb -0.09 -0.19 -0.17 0.00 -0.11 0.00 0.00 41.96 41.40 1h64 s TYR 57 CO 0.02 -0.03 1.55 0.78 -1.11 0.00 0.00 175.55 176.76 1h64 h GLY 58 N 5.80 -0.23 -4.48 0.71 0.00 -1.92 -1.77 103.07 101.17 1h64 h GLY 58 Ca -0.28 0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1h64 h GLY 58 CO 0.49 -0.08 -0.51 0.54 0.00 0.00 0.00 176.54 176.97 1h64 s LYS 59 N -5.56 0.52 -0.20 4.80 1.02 -1.26 0.17 119.74 119.23 1h64 s LYS 59 Ca -0.14 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 1h64 s LYS 59 Cb 0.04 0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.62 1h64 s LYS 59 CO 0.64 -0.13 0.50 -1.50 -0.92 0.00 0.00 175.35 173.94 1h64 s ILE 60 N -1.86 -0.01 -0.26 2.17 2.07 -0.41 -4.99 121.20 117.90 1h64 s ILE 60 Ca -0.11 0.05 -0.10 0.00 -1.41 0.00 0.00 60.65 59.07 1h64 s ILE 60 Cb -0.05 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.76 1h64 s ILE 60 CO -0.01 0.02 0.17 -0.69 -1.91 0.00 0.00 174.94 172.51 1h64 s VAL 61 N 1.13 5.20 -0.14 4.00 1.01 -1.26 -1.38 120.40 128.96 1h64 s VAL 61 Ca -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1h64 s VAL 61 Cb -0.06 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1h64 s VAL 61 CO -0.11 0.29 -0.04 -0.63 0.00 0.00 0.00 175.10 174.61 1h64 s ILE 62 N 1.52 3.86 0.03 2.22 1.01 0.11 -4.97 121.20 124.98 1h64 s ILE 62 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1h64 s ILE 62 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1h64 s ILE 62 CO 0.08 0.51 1.02 -0.13 0.00 0.00 0.00 174.94 176.42 1h64 s ARG 63 N 0.16 4.56 0.56 2.79 0.52 -1.26 -0.86 118.95 125.42 1h64 s ARG 63 Ca -0.02 1.49 0.30 0.00 -0.52 0.00 0.00 55.73 56.98 1h64 s ARG 63 Cb -0.14 -3.42 1.66 0.00 0.52 0.00 0.00 34.95 33.57 1h64 s ARG 63 CO 0.03 -0.04 2.16 0.78 0.02 0.00 0.00 175.30 178.25 1h64 h GLY 64 N 6.56 0.00 2.00 -3.53 0.00 -1.75 -2.94 103.07 103.42 1h64 h GLY 64 Ca -0.41 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1h64 h GLY 64 CO 0.75 0.00 -0.01 -1.80 0.00 0.00 0.00 176.54 175.48 1h64 h ASP 65 N 0.00 0.00 -0.03 0.19 3.58 -1.87 -1.36 116.42 116.93 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 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1h64 h ASP 65 CO 0.01 0.01 -0.02 0.59 -2.88 0.00 0.00 179.24 176.95 1h64 n ASN 66 N -3.44 2.72 -4.71 2.28 3.02 -1.11 -4.97 115.26 109.05 1h64 n ASN 66 Ca -0.03 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 1h64 n ASN 66 Cb 0.11 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.79 4.81 -0.17 2.41 1.01 -0.52 -1.91 120.40 124.25 1h64 s VAL 67 Ca 0.24 2.06 -0.17 0.00 0.00 0.00 0.00 61.98 64.11 1h64 s VAL 67 Cb 0.18 -4.32 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 1h64 s VAL 67 CO 0.28 0.19 0.33 0.25 0.00 0.00 0.00 175.10 176.15 1h64 h LEU 68 N 6.59 0.17 -7.29 3.92 5.85 -0.50 -3.45 115.31 120.59 1h64 h LEU 68 Ca -0.41 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 57.60 1h64 h LEU 68 Cb 1.22 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 1h64 h LEU 68 CO 0.74 1.59 0.15 0.00 -0.34 0.00 0.00 178.44 180.58 1h64 s ALA 69 N -2.43 -1.36 -0.05 1.25 0.00 -0.86 -5.01 121.76 113.31 1h64 s ALA 69 Ca -0.25 0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1h64 s ALA 69 Cb 0.05 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1h64 s ALA 69 CO 0.67 -0.80 -0.04 0.42 0.00 0.00 0.00 175.76 176.01 1h64 s ILE 70 N -3.80 0.56 -0.13 0.00 1.01 -1.26 -0.67 121.20 116.92 1h64 s ILE 70 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1h64 s ILE 70 Cb -0.01 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.88 1h64 s ILE 70 CO -0.09 0.24 -0.11 -0.55 0.00 0.00 0.00 174.94 174.44 1h64 s SER 71 N 1.07 2.38 -0.07 3.58 0.15 0.38 -4.96 113.70 116.23 1h64 s SER 71 Ca -0.09 -0.38 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 1h64 s SER 71 Cb -0.14 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 1h64 s SER 71 CO -0.01 -0.08 1.47 -2.84 1.20 0.00 0.00 173.24 172.98 1h64 s PRO 72 N 1.54 4.22 0.00 5.44 0.02 -1.26 -0.46 135.00 144.50 1h64 s PRO 72 Ca 0.04 1.97 0.09 0.00 0.02 0.00 0.00 61.00 63.12 1h64 s PRO 72 Cb -0.13 -3.81 0.53 0.00 0.02 0.00 0.00 34.50 31.11 1h64 s PRO 72 CO -0.08 -0.74 0.98 0.25 -0.33 0.00 0.00 177.00 177.08