#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 2.72 0.22 3.44 0.52 -1.26 -4.77 118.95 119.82 1h64 s ARG 4 Ca 0.00 1.27 -0.15 0.00 -0.52 0.00 0.00 55.73 56.33 1h64 s ARG 4 Cb 0.00 -1.95 0.25 0.00 0.52 0.00 0.00 34.95 33.78 1h64 s ARG 4 CO 0.00 -1.30 1.59 -1.35 0.02 0.00 0.00 175.30 174.26 1h64 h PRO 5 N -0.30 -0.05 0.00 3.54 0.11 -2.06 0.17 132.00 133.41 1h64 h PRO 5 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1h64 h PRO 5 Cb 1.24 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1h64 h PRO 5 CO 0.54 -0.03 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.98 1h64 h LEU 6 N -0.05 0.00 -0.00 2.35 3.38 -1.99 -1.84 115.31 117.15 1h64 h LEU 6 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1h64 h LEU 6 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1h64 h LEU 6 CO -0.79 0.24 -0.00 0.44 0.09 0.00 0.00 178.44 178.42 1h64 h ASP 7 N 0.00 0.01 -0.45 -0.43 3.45 -1.34 0.96 116.42 118.62 1h64 h ASP 7 Ca -0.00 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.14 1h64 h ASP 7 Cb 0.54 -0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 1h64 h ASP 7 CO 0.03 0.33 0.30 0.58 -1.57 0.00 0.00 179.24 178.90 1h64 h VAL 8 N -0.32 1.12 -0.44 -1.35 2.07 -1.16 -0.87 116.25 115.30 1h64 h VAL 8 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1h64 h VAL 8 Cb 0.32 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1h64 h VAL 8 CO 0.00 0.11 0.27 0.40 0.02 0.00 0.00 177.57 178.37 1h64 h ILE 9 N 0.60 1.14 -0.80 4.57 1.08 -1.27 -2.71 117.51 120.12 1h64 h ILE 9 Ca 0.16 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.36 1h64 h ILE 9 Cb -0.07 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 1h64 h ILE 9 CO -0.04 0.14 0.52 -0.74 -0.69 0.00 0.00 178.15 177.34 1h64 h HIS 10 N 0.58 0.97 0.00 1.37 2.76 -0.31 -1.54 115.15 118.99 1h64 h HIS 10 Ca 0.16 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1h64 h HIS 10 Cb -0.01 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.63 1h64 h HIS 10 CO -0.03 0.56 0.00 0.00 -1.30 0.00 0.00 177.93 177.16 1h64 h ARG 11 N 1.01 0.00 -0.01 5.26 3.08 -0.87 -2.64 114.38 120.21 1h64 h ARG 11 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1h64 h ARG 11 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1h64 h ARG 11 CO -0.11 0.00 -0.05 0.43 -1.07 0.00 0.00 179.97 179.17 1h64 n SER 12 N -2.54 1.13 -4.68 7.04 7.64 -0.58 -4.92 113.62 116.72 1h64 n SER 12 Ca 0.00 -1.25 -0.43 0.00 1.01 0.00 0.00 58.87 58.20 1h64 n SER 12 Cb 0.17 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.21 3.23 -0.74 -3.43 4.77 -1.00 -0.91 117.00 118.71 1h64 n LEU 13 Ca 0.18 1.19 -0.10 0.00 -0.03 0.00 0.00 56.01 57.26 1h64 n LEU 13 Cb 0.31 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 1h64 n LEU 13 CO 0.19 -0.69 -0.09 -0.67 -1.33 0.00 0.00 177.39 174.79 1h64 n ASP 14 N 0.80 -5.38 -4.41 -1.43 2.03 0.32 -4.97 116.55 103.53 1h64 n ASP 14 Ca 0.06 0.24 -0.25 0.00 0.52 0.00 0.00 54.79 55.36 1h64 n ASP 14 Cb 0.36 -3.72 -0.11 0.00 -0.72 0.00 0.00 41.12 36.92 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1h64 s LYS 15 N -2.69 1.48 0.20 -0.67 1.02 -0.09 -4.84 119.74 114.15 1h64 s LYS 15 Ca 0.00 -1.54 -0.30 0.00 0.02 0.00 0.00 55.97 54.15 1h64 s LYS 15 Cb 0.00 -1.70 -0.09 0.00 -0.52 0.00 0.00 37.83 35.52 1h64 s LYS 15 CO 0.00 0.35 1.42 0.34 -0.92 0.00 0.00 175.35 176.54 1h64 s ASP 16 N -2.82 6.73 0.11 2.83 3.68 -1.26 -1.31 116.67 124.62 1h64 s ASP 16 Ca 0.21 2.53 0.01 0.00 2.13 0.00 0.00 52.55 57.44 1h64 s ASP 16 Cb -0.07 -2.61 -0.04 0.00 -1.45 0.00 0.00 42.92 38.75 1h64 s ASP 16 CO 0.10 -0.67 -0.05 0.68 0.13 0.00 0.00 175.17 175.36 1h64 s VAL 17 N 0.42 0.63 -0.17 1.11 -7.23 0.16 -0.76 120.40 114.55 1h64 s VAL 17 Ca 0.61 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1h64 s VAL 17 Cb -0.40 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1h64 s VAL 17 CO 0.38 -0.80 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.04 1h64 s LEU 18 N -3.06 2.67 -0.33 1.32 2.96 0.62 -2.07 118.68 120.79 1h64 s LEU 18 Ca 0.14 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1h64 s LEU 18 Cb 0.06 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.16 1h64 s LEU 18 CO -0.03 0.07 0.09 -0.69 -1.32 0.00 0.00 176.35 174.47 1h64 s VAL 19 N 0.91 3.66 -0.14 1.68 1.01 0.64 -0.42 120.40 127.74 1h64 s VAL 19 Ca -0.03 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 1h64 s VAL 19 Cb -0.15 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1h64 s VAL 19 CO -0.00 -0.17 0.54 -0.63 0.00 0.00 0.00 175.10 174.83 1h64 s ILE 20 N 1.38 5.12 0.26 2.22 1.01 0.05 -0.79 121.20 130.46 1h64 s ILE 20 Ca -0.02 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.75 1h64 s ILE 20 Cb -0.20 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1h64 s ILE 20 CO 0.02 0.25 0.19 -0.76 0.00 0.00 0.00 174.94 174.64 1h64 s LEU 21 N 1.10 3.74 -0.80 2.97 1.02 -0.74 -0.26 118.68 125.71 1h64 s LEU 21 Ca 0.27 -0.31 -0.26 0.00 0.02 0.00 0.00 54.13 53.86 1h64 s LEU 21 Cb -0.16 -2.28 0.03 0.00 0.02 0.00 0.00 46.19 43.81 1h64 s LEU 21 CO 0.11 -0.06 1.34 -1.59 0.02 0.00 0.00 176.35 176.17 1h64 s LYS 22 N -3.84 3.26 0.00 1.70 -2.85 -1.25 -3.86 119.74 112.90 1h64 s LYS 22 Ca 0.33 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 1h64 s LYS 22 Cb -0.08 -4.47 0.00 0.00 -2.06 0.00 0.00 37.83 31.23 1h64 s LYS 22 CO 0.25 -2.19 0.00 1.63 0.10 0.00 0.00 175.35 175.14 1h64 n LYS 23 N 9.26 0.00 -0.15 1.78 4.76 -1.26 -4.87 118.16 127.67 1h64 n LYS 23 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1h64 n LYS 23 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 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 0.00 0.59 3.93 0.72 0.00 -1.25 -4.98 105.19 104.19 1h64 n GLY 24 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.30 3.49 0.23 1.61 0.40 -1.26 -2.89 117.98 117.26 1h64 s PHE 25 Ca 0.00 0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 56.45 1h64 s PHE 25 Cb 0.00 -1.83 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1h64 s PHE 25 CO 0.00 0.43 0.64 -1.83 0.70 0.00 0.00 175.22 175.16 1h64 s GLU 26 N -3.14 1.56 0.06 0.44 -1.05 -0.43 -1.79 118.70 114.36 1h64 s GLU 26 Ca 0.38 -0.83 0.08 0.00 -0.15 0.00 0.00 54.97 54.45 1h64 s GLU 26 Cb -0.11 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 1h64 s GLU 26 CO 0.28 -0.70 -0.23 -0.06 0.95 0.00 0.00 175.26 175.50 1h64 s PHE 27 N -3.87 2.04 -0.04 4.83 0.40 0.03 0.02 117.98 121.39 1h64 s PHE 27 Ca 0.08 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1h64 s PHE 27 Cb -0.03 -1.19 0.02 0.00 0.51 0.00 0.00 43.02 42.32 1h64 s PHE 27 CO -0.00 0.14 -0.07 1.03 0.70 0.00 0.00 175.22 177.02 1h64 s ARG 28 N -1.38 1.02 -0.04 0.44 0.52 -0.67 -0.26 118.95 118.58 1h64 s ARG 28 Ca 0.10 -0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 54.94 1h64 s ARG 28 Cb -0.09 -0.95 0.05 0.00 0.52 0.00 0.00 34.95 34.48 1h64 s ARG 28 CO 0.03 -0.01 0.69 0.41 0.02 0.00 0.00 175.30 176.44 1h64 n GLY 29 N 3.81 0.30 3.64 -3.53 0.00 -0.88 -1.34 105.19 107.20 1h64 n GLY 29 Ca -0.23 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 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 4.15 -0.17 1.61 3.52 -0.71 -0.67 118.95 124.68 1h64 s ARG 30 Ca 0.16 0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 55.92 1h64 s ARG 30 Cb -0.00 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1h64 s ARG 30 CO -0.01 -0.26 1.37 -1.17 -0.81 0.00 0.00 175.30 174.42 1h64 s LEU 31 N 1.99 4.14 0.00 -0.88 2.96 -0.43 -0.79 118.68 125.67 1h64 s LEU 31 Ca 0.25 1.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1h64 s LEU 31 Cb -0.16 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1h64 s LEU 31 CO 0.09 -0.87 0.53 2.30 -1.32 0.00 0.00 176.35 177.08 1h64 n ILE 32 N 5.59 0.00 -3.59 6.68 -5.35 -0.46 0.12 119.36 122.34 1h64 n ILE 32 Ca 0.15 -0.49 0.01 0.00 -0.27 0.00 0.00 62.75 62.15 1h64 n ILE 32 Cb 0.45 1.06 -0.01 0.00 -1.74 0.00 0.00 39.64 39.40 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 -0.42 -0.39 0.05 3.28 0.00 -1.22 -4.91 107.32 103.71 1h64 s GLY 33 Ca 0.03 1.24 -0.28 0.00 0.00 0.00 0.00 44.72 45.72 1h64 s GLY 33 CO 0.05 0.32 1.17 -2.52 0.00 0.00 0.00 173.10 172.13 1h64 s TYR 34 N -2.10 -0.05 0.30 1.90 -0.85 -1.26 -1.15 117.35 114.14 1h64 s TYR 34 Ca 0.14 -0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.59 1h64 s TYR 34 Cb 0.04 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1h64 s TYR 34 CO -0.05 -0.49 0.22 0.16 -1.52 0.00 0.00 175.55 173.87 1h64 s ASP 35 N -3.10 1.29 0.63 -0.18 1.47 -0.90 -4.99 116.67 110.89 1h64 s ASP 35 Ca 0.16 -1.64 0.35 0.00 1.18 0.00 0.00 52.55 52.60 1h64 s ASP 35 Cb 0.02 0.49 1.98 0.00 -0.34 0.00 0.00 42.92 45.07 1h64 s ASP 35 CO -0.01 -0.98 2.20 0.16 0.68 0.00 0.00 175.17 177.22 1h64 h ILE 36 N 2.26 0.23 -0.05 2.11 3.07 -2.03 -0.30 117.51 122.81 1h64 h ILE 36 Ca -0.29 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1h64 h ILE 36 Cb 1.24 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1h64 h ILE 36 CO 0.43 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.94 1h64 n HIS 37 N -3.40 0.05 -1.57 0.16 8.25 -1.26 -4.90 115.22 112.55 1h64 n HIS 37 Ca -0.02 -0.03 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 1h64 n HIS 37 Cb 0.20 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.85 -4.76 2.41 4.32 -0.12 -4.44 117.00 113.36 1h64 n LEU 38 Ca 0.19 0.11 -0.40 0.00 -0.02 0.00 0.00 56.01 55.89 1h64 n LEU 38 Cb 0.25 -1.37 -0.05 0.00 -1.62 0.00 0.00 43.42 40.63 1h64 n LEU 38 CO 0.15 -0.28 0.73 0.20 -1.22 0.00 0.00 177.39 176.97 1h64 s ASN 39 N -2.82 7.41 0.12 -1.43 0.01 -1.26 -3.29 114.94 113.68 1h64 s ASN 39 Ca 0.00 2.12 0.04 0.00 -0.71 0.00 0.00 52.86 54.31 1h64 s ASN 39 Cb 0.00 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1h64 s ASN 39 CO 0.00 -0.03 -0.09 0.68 -1.51 0.00 0.00 177.10 176.15 1h64 s VAL 40 N -1.20 1.00 -0.10 1.60 -7.23 -0.31 -2.13 120.40 112.04 1h64 s VAL 40 Ca 0.44 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1h64 s VAL 40 Cb -0.29 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.96 1h64 s VAL 40 CO 0.36 -0.73 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.52 1h64 s VAL 41 N -3.18 2.30 0.05 1.32 1.01 -0.30 -0.64 120.40 120.97 1h64 s VAL 41 Ca 0.13 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1h64 s VAL 41 Cb 0.02 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1h64 s VAL 41 CO -0.01 0.55 -0.24 -0.76 0.00 0.00 0.00 175.10 174.65 1h64 s LEU 42 N 0.28 2.18 0.14 3.92 1.43 -0.25 -1.36 118.68 125.02 1h64 s LEU 42 Ca -0.15 -0.57 0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1h64 s LEU 42 Cb -0.17 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1h64 s LEU 42 CO 0.08 0.20 -0.15 0.00 0.23 0.00 0.00 176.35 176.71 1h64 s ALA 43 N -0.83 2.80 -1.24 4.21 0.00 0.03 -0.33 121.76 126.39 1h64 s ALA 43 Ca 0.10 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 1h64 s ALA 43 Cb -0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1h64 s ALA 43 CO 0.02 0.55 0.68 -0.25 0.00 0.00 0.00 175.76 176.76 1h64 n ASP 44 N 0.50 -3.14 -4.95 0.00 10.43 0.11 -1.73 116.55 117.77 1h64 n ASP 44 Ca -0.13 -0.96 -0.24 0.00 2.57 0.00 0.00 54.79 56.02 1h64 n ASP 44 Cb 0.54 -3.50 -0.02 0.00 1.84 0.00 0.00 41.12 39.98 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 -3.64 3.84 -0.03 2.24 0.00 0.60 -4.36 121.76 120.40 1h64 s ALA 45 Ca 0.25 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1h64 s ALA 45 Cb -0.08 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1h64 s ALA 45 CO 0.85 0.23 -0.08 -1.21 0.00 0.00 0.00 175.76 175.56 1h64 s GLU 46 N -3.85 0.87 -0.22 0.00 2.02 -0.45 -0.27 118.70 116.78 1h64 s GLU 46 Ca 0.37 -0.24 -0.13 0.00 0.02 0.00 0.00 54.97 54.98 1h64 s GLU 46 Cb -0.10 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.26 1h64 s GLU 46 CO 0.31 0.07 0.28 1.41 0.02 0.00 0.00 175.26 177.35 1h64 s MET 47 N 0.31 4.11 -0.12 1.61 -2.45 0.46 -1.68 119.30 121.56 1h64 s MET 47 Ca -0.05 -0.04 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 1h64 s MET 47 Cb -0.09 -3.54 -0.03 0.00 1.25 0.00 0.00 34.83 32.42 1h64 s MET 47 CO 0.00 -0.00 -0.06 0.42 1.05 0.00 0.00 175.02 176.43 1h64 s ILE 48 N 1.22 3.70 -0.24 10.11 1.09 0.10 -0.30 121.20 136.88 1h64 s ILE 48 Ca 0.13 -0.45 -0.00 0.00 -1.10 0.00 0.00 60.65 59.23 1h64 s ILE 48 Cb -0.14 -2.57 0.07 0.00 -1.06 0.00 0.00 42.46 38.75 1h64 s ILE 48 CO 0.06 0.54 -0.01 -1.58 -0.10 0.00 0.00 174.94 173.86 1h64 s GLN 49 N -0.10 1.25 -1.07 2.79 0.74 0.27 -1.31 119.66 122.23 1h64 s GLN 49 Ca 0.01 -0.90 -0.03 0.00 0.05 0.00 0.00 55.36 54.49 1h64 s GLN 49 Cb -0.13 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.56 1h64 s GLN 49 CO 0.03 -0.68 0.91 -0.25 -0.55 0.00 0.00 175.29 174.76 1h64 n ASP 50 N 4.77 -3.71 0.00 6.67 8.00 -1.14 -2.71 116.55 128.42 1h64 n ASP 50 Ca -0.09 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1h64 n ASP 50 Cb 0.44 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 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 -1.42 0.63 3.25 0.44 0.00 -1.26 -5.01 105.19 101.82 1h64 n GLY 51 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1h64 n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h64 s GLU 52 N -0.29 2.06 -0.10 1.61 2.12 -1.10 -5.10 118.70 117.90 1h64 s GLU 52 Ca 0.00 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 1h64 s GLU 52 Cb 0.00 -1.88 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 1h64 s GLU 52 CO 0.00 0.43 1.38 0.08 -0.54 0.00 0.00 175.26 176.61 1h64 s VAL 53 N -0.36 4.01 -0.60 3.70 1.01 -1.26 -0.56 120.40 126.33 1h64 s VAL 53 Ca 0.04 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.38 1h64 s VAL 53 Cb -0.11 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1h64 s VAL 53 CO 0.01 -0.08 0.48 1.33 0.00 0.00 0.00 175.10 176.84 1h64 n VAL 54 N 5.20 0.00 -3.53 2.92 0.24 0.58 -4.95 118.33 118.79 1h64 n VAL 54 Ca 0.14 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1h64 n VAL 54 Cb 0.44 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.78 0.73 0.08 7.34 2.20 -1.20 -4.98 119.74 122.12 1h64 s LYS 55 Ca 0.05 -0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.63 1h64 s LYS 55 Cb 0.08 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 1h64 s LYS 55 CO 0.37 -0.28 -0.16 1.03 -0.36 0.00 0.00 175.35 175.94 1h64 s ARG 56 N -2.22 0.93 -0.00 4.03 0.52 -1.26 -0.40 118.95 120.55 1h64 s ARG 56 Ca 0.02 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 1h64 s ARG 56 Cb -0.01 -1.01 -0.00 0.00 0.52 0.00 0.00 34.95 34.45 1h64 s ARG 56 CO -0.04 0.23 0.01 0.71 0.02 0.00 0.00 175.30 176.24 1h64 s TYR 57 N -1.20 0.03 0.11 -0.53 1.51 0.62 -4.98 117.35 112.92 1h64 s TYR 57 Ca 0.01 -0.06 -0.13 0.00 -1.01 0.00 0.00 57.07 55.88 1h64 s TYR 57 Cb -0.10 -0.03 -0.09 0.00 -0.11 0.00 0.00 41.96 41.63 1h64 s TYR 57 CO 0.03 -0.05 1.40 0.78 -1.11 0.00 0.00 175.55 176.61 1h64 h GLY 58 N 5.83 0.88 -5.44 0.71 0.00 -1.93 0.17 103.07 103.29 1h64 h GLY 58 Ca -0.26 -0.98 -0.13 0.00 0.00 0.00 0.00 47.33 45.97 1h64 h GLY 58 CO 0.48 0.88 -0.29 1.25 0.00 0.00 0.00 176.54 178.86 1h64 s LYS 59 N -4.21 0.42 -0.07 4.80 2.20 -1.26 0.06 119.74 121.68 1h64 s LYS 59 Ca -0.11 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.07 1h64 s LYS 59 Cb 0.09 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1h64 s LYS 59 CO 0.86 -0.10 0.17 -1.50 -0.36 0.00 0.00 175.35 174.43 1h64 s ILE 60 N 0.69 -0.01 -0.25 5.43 2.07 0.55 -4.99 121.20 124.70 1h64 s ILE 60 Ca -0.04 0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.15 1h64 s ILE 60 Cb -0.05 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 1h64 s ILE 60 CO -0.05 0.01 0.10 -0.69 -1.91 0.00 0.00 174.94 172.41 1h64 s VAL 61 N 0.29 4.59 -0.13 4.00 1.01 -1.26 -1.09 120.40 127.80 1h64 s VAL 61 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1h64 s VAL 61 Cb -0.03 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1h64 s VAL 61 CO -0.01 0.32 -0.08 0.27 0.00 0.00 0.00 175.10 175.60 1h64 s ILE 62 N 1.59 3.50 0.01 2.22 -4.36 0.19 -4.98 121.20 119.36 1h64 s ILE 62 Ca 0.06 -0.51 -0.30 0.00 -0.26 0.00 0.00 60.65 59.65 1h64 s ILE 62 Cb -0.15 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1h64 s ILE 62 CO 0.05 0.52 1.06 -0.13 0.24 0.00 0.00 174.94 176.68 1h64 s ARG 63 N 0.23 4.50 0.62 0.37 0.52 -1.26 -1.16 118.95 122.77 1h64 s ARG 63 Ca -0.05 1.54 0.34 0.00 -0.52 0.00 0.00 55.73 57.04 1h64 s ARG 63 Cb -0.15 -3.44 1.99 0.00 0.52 0.00 0.00 34.95 33.88 1h64 s ARG 63 CO 0.04 -0.15 2.27 0.78 0.02 0.00 0.00 175.30 178.25 1h64 h GLY 64 N 6.96 0.00 1.95 -3.53 0.00 -1.76 -2.67 103.07 104.02 1h64 h GLY 64 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1h64 h GLY 64 CO 0.78 0.00 0.02 -1.80 0.00 0.00 0.00 176.54 175.54 1h64 h ASP 65 N 0.00 0.00 0.06 0.19 3.58 -1.87 -0.17 116.42 118.21 1h64 h ASP 65 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1h64 h ASP 65 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1h64 h ASP 65 CO -0.00 0.00 -0.29 0.59 -2.88 0.00 0.00 179.24 176.66 1h64 n ASN 66 N -3.64 1.82 -4.72 2.28 3.02 -1.01 -4.95 115.26 108.06 1h64 n ASN 66 Ca -0.03 -1.40 -0.40 0.00 -0.03 0.00 0.00 54.58 52.72 1h64 n ASN 66 Cb 0.10 0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.48 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 -2.36 4.92 -0.15 2.41 1.01 -0.08 -3.87 120.40 122.29 1h64 s VAL 67 Ca 0.24 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.71 1h64 s VAL 67 Cb 0.19 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 32.20 1h64 s VAL 67 CO 0.49 0.26 0.40 0.25 0.00 0.00 0.00 175.10 176.50 1h64 h LEU 68 N 6.49 0.24 -7.36 3.92 5.85 -0.94 -3.48 115.31 120.03 1h64 h LEU 68 Ca -0.42 -0.76 0.07 0.00 0.84 0.00 0.00 57.88 57.61 1h64 h LEU 68 Cb 1.20 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 1h64 h LEU 68 CO 0.74 1.60 0.34 0.00 -0.34 0.00 0.00 178.44 180.79 1h64 s ALA 69 N -2.44 -1.58 -0.03 1.25 0.00 -1.13 -5.02 121.76 112.80 1h64 s ALA 69 Ca -0.24 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1h64 s ALA 69 Cb 0.05 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1h64 s ALA 69 CO 0.70 -0.87 -0.06 0.42 0.00 0.00 0.00 175.76 175.95 1h64 s ILE 70 N -3.53 0.62 -0.10 0.00 1.01 -1.26 -0.77 121.20 117.18 1h64 s ILE 70 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1h64 s ILE 70 Cb -0.02 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.87 1h64 s ILE 70 CO -0.04 0.22 -0.09 -0.55 0.00 0.00 0.00 174.94 174.48 1h64 s SER 71 N 0.54 1.99 0.18 3.58 0.15 0.44 -4.96 113.70 115.61 1h64 s SER 71 Ca -0.08 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 55.99 1h64 s SER 71 Cb -0.11 -0.81 -0.08 0.00 -1.71 0.00 0.00 66.02 63.31 1h64 s SER 71 CO 0.00 -0.07 1.25 -2.16 1.20 0.00 0.00 173.24 173.46 1h64 s PRO 72 N 1.38 4.44 0.00 5.44 0.04 -1.26 -0.28 135.00 144.76 1h64 s PRO 72 Ca -0.01 1.95 0.28 0.00 0.04 0.00 0.00 61.00 63.25 1h64 s PRO 72 Cb -0.14 -3.23 1.00 0.00 0.04 0.00 0.00 34.50 32.18 1h64 s PRO 72 CO -0.04 -0.17 1.72 0.25 0.04 0.00 0.00 177.00 178.79