#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a64 s THR 5 N 0.00 2.35 -0.00 2.61 2.01 -1.26 -5.12 115.64 116.23 1a64 s THR 5 Ca 0.00 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.16 1a64 s THR 5 Cb 0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1a64 s THR 5 CO 0.00 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.55 1a64 s VAL 6 N 0.29 1.94 -0.08 3.82 1.01 -1.26 -5.14 120.40 120.98 1a64 s VAL 6 Ca -0.15 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1a64 s VAL 6 Cb -0.17 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1a64 s VAL 6 CO 0.08 0.49 -0.07 0.26 0.00 0.00 0.00 175.10 175.86 1a64 s TRP 7 N -0.62 2.93 0.35 5.22 0.52 -1.26 -5.11 118.94 120.96 1a64 s TRP 7 Ca 0.10 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.17 1a64 s TRP 7 Cb -0.09 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 1a64 s TRP 7 CO -0.00 0.23 0.08 0.20 0.02 0.00 0.00 176.95 177.48 1a64 s GLY 8 N -0.55 2.21 0.02 0.98 0.00 -1.26 -5.10 107.32 103.62 1a64 s GLY 8 Ca 0.08 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 43.03 1a64 s GLY 8 CO 0.02 -1.81 -0.07 0.00 0.00 0.00 0.00 173.10 171.24 1a64 s ALA 9 N -3.30 0.56 0.40 3.20 0.00 -1.26 -5.12 121.76 116.24 1a64 s ALA 9 Ca 0.33 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.47 1a64 s ALA 9 Cb 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.05 1a64 s ALA 9 CO 0.15 0.05 1.13 1.28 0.00 0.00 0.00 175.76 178.36 1a64 n LEU 10 N 2.07 3.11 0.00 0.00 4.77 -1.26 -1.97 117.00 123.72 1a64 n LEU 10 Ca -0.19 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1a64 n LEU 10 Cb 0.56 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1a64 n LEU 10 CO 0.23 -1.09 0.00 0.61 -1.33 0.00 0.00 177.39 175.81 1a64 n GLY 11 N 1.02 3.00 3.96 -0.72 0.00 -1.26 -5.00 105.19 106.19 1a64 n GLY 11 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1a64 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a64 s HIS 12 N -1.46 3.32 0.58 1.61 3.76 -0.83 -5.12 115.29 117.16 1a64 s HIS 12 Ca 0.00 0.16 0.10 0.00 -0.15 0.00 0.00 55.06 55.16 1a64 s HIS 12 Cb 0.00 -2.02 0.10 0.00 1.11 0.00 0.00 32.58 31.76 1a64 s HIS 12 CO 0.00 -0.04 0.80 0.41 -0.85 0.00 0.00 174.74 175.06 1a64 n GLY 13 N -1.82 1.98 3.58 -2.22 0.00 -1.26 -4.82 105.19 100.63 1a64 n GLY 13 Ca -0.02 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 1a64 n GLY 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1a64 s ILE 14 N -2.63 0.00 -0.15 -0.61 2.07 -1.26 -4.85 121.20 113.76 1a64 s ILE 14 Ca 0.61 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.83 1a64 s ILE 14 Cb -0.05 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.52 1a64 s ILE 14 CO 0.39 0.00 -0.09 0.20 -1.91 0.00 0.00 174.94 173.53 1a64 s ASN 15 N -1.15 4.32 -0.53 4.50 -0.87 -1.26 -5.06 114.94 114.89 1a64 s ASN 15 Ca -0.01 -0.27 -0.21 0.00 -1.57 0.00 0.00 52.86 50.80 1a64 s ASN 15 Cb -0.00 -1.69 0.05 0.00 -0.02 0.00 0.00 41.25 39.59 1a64 s ASN 15 CO 0.01 0.14 0.76 -0.76 -2.57 0.00 0.00 177.10 174.67 1a64 s LEU 16 N 0.54 4.62 0.02 0.60 1.43 -1.26 -5.03 118.68 119.60 1a64 s LEU 16 Ca -0.06 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 1a64 s LEU 16 Cb -0.15 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1a64 s LEU 16 CO 0.03 -1.03 1.04 0.20 0.23 0.00 0.00 176.35 176.82 1a64 s ASN 17 N 2.78 7.29 -0.34 2.29 -0.87 -1.26 -5.00 114.94 119.83 1a64 s ASN 17 Ca 0.21 1.77 -0.29 0.00 -1.57 0.00 0.00 52.86 52.98 1a64 s ASN 17 Cb -0.17 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.50 1a64 s ASN 17 CO 0.15 -0.31 1.30 -0.63 -2.57 0.00 0.00 177.10 175.04 1a64 s ILE 18 N 0.96 4.11 0.30 0.60 1.01 -1.26 -4.98 121.20 121.94 1a64 s ILE 18 Ca 0.54 1.23 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 1a64 s ILE 18 Cb -0.24 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 1a64 s ILE 18 CO 0.29 -0.58 1.44 -2.84 0.00 0.00 0.00 174.94 173.25 1a64 s PRO 19 N 4.32 4.24 -0.77 2.79 0.02 -1.26 -3.86 135.00 140.48 1a64 s PRO 19 Ca 0.56 2.37 -0.08 0.00 0.02 0.00 0.00 61.00 63.87 1a64 s PRO 19 Cb -0.15 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1a64 s PRO 19 CO 0.25 -0.42 0.51 0.09 -0.33 0.00 0.00 177.00 177.11 1a64 n ASN 20 N 1.64 -3.80 -3.64 2.53 3.02 -1.26 -4.95 115.26 108.80 1a64 n ASN 20 Ca 0.04 -0.89 -0.14 0.00 -0.03 0.00 0.00 54.58 53.56 1a64 n ASN 20 Cb 0.40 -1.31 -0.07 0.00 -0.61 0.00 0.00 39.78 38.18 1a64 n ASN 20 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a64 s PHE 21 N -3.08 -0.73 -0.02 3.10 5.36 -1.25 -5.17 117.98 116.20 1a64 s PHE 21 Ca 0.11 1.76 0.03 0.00 -0.96 0.00 0.00 56.93 57.87 1a64 s PHE 21 Cb -0.06 0.26 -0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1a64 s PHE 21 CO 0.76 -0.37 -0.10 -1.14 -1.46 0.00 0.00 175.22 172.91 1a64 s GLN 22 N 0.24 0.89 -0.11 10.12 0.74 -1.26 -4.95 119.66 125.33 1a64 s GLN 22 Ca -0.01 -0.34 -0.29 0.00 0.05 0.00 0.00 55.36 54.77 1a64 s GLN 22 Cb -0.04 -0.84 -0.03 0.00 1.10 0.00 0.00 33.01 33.19 1a64 s GLN 22 CO 0.02 0.17 1.44 1.41 -0.55 0.00 0.00 175.29 177.78 1a64 s MET 23 N -0.04 4.21 0.33 1.67 -2.45 -1.26 -5.02 119.30 116.74 1a64 s MET 23 Ca 0.01 1.91 0.07 0.00 -1.25 0.00 0.00 55.69 56.42 1a64 s MET 23 Cb -0.06 -3.86 -0.07 0.00 1.25 0.00 0.00 34.83 32.10 1a64 s MET 23 CO 0.00 -0.76 -0.02 0.95 1.05 0.00 0.00 175.02 176.23 1a64 s THR 24 N 3.70 1.73 -1.55 10.11 -4.23 -1.26 -5.01 115.64 119.13 1a64 s THR 24 Ca 0.63 -2.08 0.16 0.00 -1.18 0.00 0.00 61.69 59.22 1a64 s THR 24 Cb -0.27 -2.69 0.31 0.00 1.34 0.00 0.00 72.50 71.19 1a64 s THR 24 CO 0.22 -0.15 1.42 0.47 -0.54 0.00 0.00 174.62 176.04 1a64 n ASP 25 N -0.73 0.00 -0.84 3.99 9.92 -1.26 -1.97 116.55 125.66 1a64 n ASP 25 Ca -0.05 -0.05 0.10 0.00 -0.53 0.00 0.00 54.79 54.26 1a64 n ASP 25 Cb 0.65 -0.23 0.28 0.00 -0.64 0.00 0.00 41.12 41.19 1a64 n ASP 25 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1a64 n ASP 26 N -1.23 2.50 -4.56 -2.24 8.00 -1.26 -4.86 116.55 112.89 1a64 n ASP 26 Ca 0.08 -1.88 -0.35 0.00 0.71 0.00 0.00 54.79 53.36 1a64 n ASP 26 Cb 0.11 -0.21 -0.11 0.00 -0.02 0.00 0.00 41.12 40.89 1a64 n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a64 s ILE 27 N -1.58 4.56 -0.19 0.53 1.09 -0.83 -5.00 121.20 119.77 1a64 s ILE 27 Ca 0.34 -0.11 -0.05 0.00 -1.10 0.00 0.00 60.65 59.73 1a64 s ILE 27 Cb 0.19 -3.07 -0.21 0.00 -1.06 0.00 0.00 42.46 38.31 1a64 s ILE 27 CO 0.27 0.43 0.09 -0.67 -0.10 0.00 0.00 174.94 174.96 1a64 n ASP 28 N 3.95 2.04 -3.85 3.58 2.03 -1.26 -4.81 116.55 118.23 1a64 n ASP 28 Ca -0.16 0.11 -0.12 0.00 0.52 0.00 0.00 54.79 55.13 1a64 n ASP 28 Cb 0.52 -0.70 -0.13 0.00 -0.72 0.00 0.00 41.12 40.09 1a64 n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a64 s GLU 29 N -2.53 0.13 -0.12 -0.67 2.12 -1.26 -0.70 118.70 115.68 1a64 s GLU 29 Ca -0.29 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.11 1a64 s GLU 29 Cb 0.08 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.55 1a64 s GLU 29 CO 0.68 -0.02 -0.13 0.08 -0.54 0.00 0.00 175.26 175.33 1a64 s VAL 30 N -0.11 1.38 -0.07 3.70 1.01 -0.60 -4.98 120.40 120.74 1a64 s VAL 30 Ca -0.02 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1a64 s VAL 30 Cb -0.01 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1a64 s VAL 30 CO 0.00 0.42 -0.16 -0.60 0.00 0.00 0.00 175.10 174.77 1a64 s ARG 31 N 1.38 2.05 -0.11 2.72 3.52 -1.26 -0.21 118.95 127.04 1a64 s ARG 31 Ca 0.01 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 1a64 s ARG 31 Cb -0.13 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.60 1a64 s ARG 31 CO -0.07 0.10 -0.19 -1.58 -0.81 0.00 0.00 175.30 172.75 1a64 s TRP 32 N 0.48 2.66 0.06 5.12 0.52 0.68 -5.01 118.94 123.45 1a64 s TRP 32 Ca -0.14 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.16 1a64 s TRP 32 Cb -0.16 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1a64 s TRP 32 CO 0.05 -0.30 -0.05 -1.21 0.02 0.00 0.00 176.95 175.46 1a64 s GLU 33 N 0.28 0.63 -0.33 4.98 2.02 -1.26 -1.27 118.70 123.74 1a64 s GLU 33 Ca -0.14 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 53.75 1a64 s GLU 33 Cb -0.17 -0.03 0.12 0.00 0.10 0.00 0.00 34.13 34.15 1a64 s GLU 33 CO 0.07 -0.04 0.17 0.50 0.02 0.00 0.00 175.26 175.97 1a64 s ARG 34 N -3.13 0.53 5.59 1.61 3.52 0.38 -4.87 118.95 122.59 1a64 s ARG 34 Ca 0.02 -1.08 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 1a64 s ARG 34 Cb 0.01 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.92 1a64 s ARG 34 CO -0.05 -1.10 0.00 0.41 -0.81 0.00 0.00 175.30 173.75 1a64 n GLY 35 N 4.54 1.56 0.00 8.12 0.00 -1.26 -2.01 105.19 116.14 1a64 n GLY 35 Ca 0.03 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.59 1a64 n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a64 n SER 36 N 3.98 0.00 -4.72 1.61 3.41 -1.26 -4.83 113.62 111.81 1a64 n SER 36 Ca 0.00 -0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 57.94 1a64 n SER 36 Cb 0.00 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 1a64 n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a64 s THR 37 N -2.46 5.03 -0.40 6.66 2.01 -0.85 -5.04 115.64 120.58 1a64 s THR 37 Ca 0.30 1.51 -0.21 0.00 0.31 0.00 0.00 61.69 63.61 1a64 s THR 37 Cb 0.19 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.65 1a64 s THR 37 CO 0.41 0.24 0.66 -0.22 -0.69 0.00 0.00 174.62 175.02 1a64 s LEU 38 N 0.83 4.37 -0.17 4.42 2.96 -1.26 -0.47 118.68 129.36 1a64 s LEU 38 Ca 0.39 -0.11 -0.23 0.00 -0.22 0.00 0.00 54.13 53.96 1a64 s LEU 38 Cb -0.18 -2.78 -0.22 0.00 0.50 0.00 0.00 46.19 43.51 1a64 s LEU 38 CO 0.19 -0.72 0.43 0.58 -1.32 0.00 0.00 176.35 175.52 1a64 h VAL 39 N 5.80 1.21 -2.42 1.68 2.07 -1.52 -3.49 116.25 119.58 1a64 h VAL 39 Ca -0.26 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 64.92 1a64 h VAL 39 Cb 1.10 2.65 -0.20 0.00 -1.52 0.00 0.00 31.29 33.32 1a64 h VAL 39 CO 0.88 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.91 1a64 s ALA 40 N -2.33 -1.37 -0.22 1.67 0.00 -1.07 -5.01 121.76 113.42 1a64 s ALA 40 Ca -0.25 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 1a64 s ALA 40 Cb 0.03 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1a64 s ALA 40 CO 0.64 -0.31 0.55 -2.00 0.00 0.00 0.00 175.76 174.64 1a64 s GLU 41 N -0.93 0.58 -0.08 0.00 2.12 -1.26 -0.23 118.70 118.91 1a64 s GLU 41 Ca -0.10 0.92 0.04 0.00 0.36 0.00 0.00 54.97 56.19 1a64 s GLU 41 Cb -0.03 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 1a64 s GLU 41 CO 0.06 -0.13 -0.19 0.12 -0.54 0.00 0.00 175.26 174.59 1a64 s PHE 42 N 1.07 2.62 -0.12 5.30 5.36 0.70 -4.98 117.98 127.93 1a64 s PHE 42 Ca -0.06 -0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 55.33 1a64 s PHE 42 Cb -0.06 -1.68 0.06 0.00 -0.34 0.00 0.00 43.02 41.01 1a64 s PHE 42 CO -0.10 -0.10 0.19 0.21 -1.46 0.00 0.00 175.22 173.96 1a64 s LYS 43 N -0.19 0.08 -0.10 10.12 2.20 -1.26 -1.55 119.74 129.05 1a64 s LYS 43 Ca -0.01 0.52 -0.18 0.00 -0.36 0.00 0.00 55.97 55.94 1a64 s LYS 43 Cb -0.13 -0.43 -0.15 0.00 -1.51 0.00 0.00 37.83 35.60 1a64 s LYS 43 CO 0.03 -0.37 0.60 0.00 -0.36 0.00 0.00 175.35 175.26 1a64 h ARG 44 N 8.34 -0.08 -6.75 4.03 2.47 -1.23 -3.46 114.38 117.70 1a64 h ARG 44 Ca -0.14 0.01 -0.49 0.00 -1.26 0.00 0.00 59.98 58.10 1a64 h ARG 44 Cb 1.12 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.44 1a64 h ARG 44 CO 0.17 0.43 0.15 -1.59 0.56 0.00 0.00 179.97 179.69 1a64 s LYS 45 N -2.50 4.13 0.77 0.04 -2.85 -1.26 -5.04 119.74 113.02 1a64 s LYS 45 Ca -0.11 0.82 -0.13 0.00 -1.00 0.00 0.00 55.97 55.55 1a64 s LYS 45 Cb -0.01 -2.51 0.06 0.00 -2.06 0.00 0.00 37.83 33.31 1a64 s LYS 45 CO 0.42 0.19 1.15 -1.25 0.10 0.00 0.00 175.35 175.96 1a64 s PRO 48 N -2.74 2.04 0.23 1.78 0.04 -1.26 -5.00 135.00 130.10 1a64 s PRO 48 Ca 0.53 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1a64 s PRO 48 Cb -0.12 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1a64 s PRO 48 CO 0.18 -1.86 1.00 0.12 0.04 0.00 0.00 177.00 176.48 1a64 s PHE 49 N -2.40 3.83 -0.05 0.56 2.19 -1.26 -5.05 117.98 115.80 1a64 s PHE 49 Ca 0.68 1.82 -0.04 0.00 0.33 0.00 0.00 56.93 59.73 1a64 s PHE 49 Cb -0.23 -3.10 0.02 0.00 -1.31 0.00 0.00 43.02 38.40 1a64 s PHE 49 CO 0.50 0.07 0.13 -0.51 1.83 0.00 0.00 175.22 177.23 1a64 s LEU 50 N -1.07 1.25 0.15 6.12 1.43 -1.26 -4.97 118.68 120.33 1a64 s LEU 50 Ca 0.43 0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1a64 s LEU 50 Cb -0.28 0.40 0.03 0.00 0.03 0.00 0.00 46.19 46.37 1a64 s LEU 50 CO 0.35 -0.08 1.73 0.50 0.23 0.00 0.00 176.35 179.08 1a64 h LYS 51 N 6.39 0.68 0.00 1.70 3.64 -1.96 -3.47 116.57 123.55 1a64 h LYS 51 Ca -0.31 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1a64 h LYS 51 Cb 1.18 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1a64 h LYS 51 CO 0.43 0.58 0.05 -1.13 -2.27 0.00 0.00 179.45 177.11 1a64 n SER 52 N -4.63 -0.66 -0.02 4.20 3.41 -1.26 -5.01 113.62 109.65 1a64 n SER 52 Ca 0.01 -1.54 0.15 0.00 -0.26 0.00 0.00 58.87 57.24 1a64 n SER 52 Cb 0.12 1.12 0.76 0.00 -0.26 0.00 0.00 64.21 65.94 1a64 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a64 n GLY 53 N -0.17 -1.20 0.00 5.00 0.00 -1.26 -3.03 105.19 104.52 1a64 n GLY 53 Ca -0.02 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1a64 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a64 n ALA 54 N -1.21 2.18 -2.52 4.61 0.00 -1.26 -4.83 120.51 117.47 1a64 n ALA 54 Ca 0.15 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 1a64 n ALA 54 Cb 0.23 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.16 1a64 n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1a64 s PHE 55 N -2.95 2.22 -0.25 0.00 0.08 -1.17 -0.21 117.98 115.71 1a64 s PHE 55 Ca 0.14 -0.78 -0.28 0.00 0.12 0.00 0.00 56.93 56.12 1a64 s PHE 55 Cb 0.17 -1.48 0.17 0.00 -0.57 0.00 0.00 43.02 41.30 1a64 s PHE 55 CO 0.46 0.26 1.23 -1.83 -0.10 0.00 0.00 175.22 175.23 1a64 s GLU 56 N -3.78 0.27 -0.19 0.44 -1.05 -0.64 -4.86 118.70 108.88 1a64 s GLU 56 Ca 0.35 0.12 -0.05 0.00 -0.15 0.00 0.00 54.97 55.23 1a64 s GLU 56 Cb 0.08 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 1a64 s GLU 56 CO 0.16 -0.07 0.00 -1.50 0.95 0.00 0.00 175.26 174.80 1a64 s ILE 57 N -0.77 4.06 0.71 1.83 2.07 -1.26 -0.19 121.20 127.65 1a64 s ILE 57 Ca 0.05 -0.28 -0.11 0.00 -1.41 0.00 0.00 60.65 58.89 1a64 s ILE 57 Cb -0.02 -2.82 0.02 0.00 0.13 0.00 0.00 42.46 39.77 1a64 s ILE 57 CO -0.06 0.45 1.08 -0.76 -1.91 0.00 0.00 174.94 173.74 1a64 s LEU 58 N 0.76 2.92 0.49 8.50 1.43 0.01 -4.92 118.68 127.87 1a64 s LEU 58 Ca 0.00 1.29 0.25 0.00 -1.03 0.00 0.00 54.13 54.63 1a64 s LEU 58 Cb -0.14 -4.10 1.31 0.00 0.03 0.00 0.00 46.19 43.29 1a64 s LEU 58 CO 0.02 -1.41 1.92 0.00 0.23 0.00 0.00 176.35 177.10 1a64 h ALA 59 N -0.70 2.51 -0.01 4.21 0.00 -1.99 0.55 119.26 123.82 1a64 h ALA 59 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a64 h ALA 59 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a64 h ALA 59 CO 0.62 -0.73 -0.10 0.27 0.00 0.00 0.00 179.25 179.30 1a64 n ASN 60 N -4.38 0.69 0.00 0.00 6.94 -1.26 -4.93 115.26 112.32 1a64 n ASN 60 Ca 0.16 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.87 1a64 n ASN 60 Cb 0.74 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 1a64 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a64 n GLY 61 N 1.24 0.54 3.80 4.83 0.00 0.18 -5.08 105.19 110.71 1a64 n GLY 61 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1a64 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a64 s ASP 62 N -2.96 6.43 -0.24 1.61 1.01 -1.26 -4.76 116.67 116.50 1a64 s ASP 62 Ca 0.00 1.87 -0.16 0.00 0.71 0.00 0.00 52.55 54.96 1a64 s ASP 62 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1a64 s ASP 62 CO 0.00 -0.72 0.43 -0.22 0.21 0.00 0.00 175.17 174.87 1a64 s LEU 63 N -3.51 4.08 -0.23 1.23 0.20 -1.26 -0.81 118.68 118.38 1a64 s LEU 63 Ca 0.66 0.44 -0.08 0.00 0.69 0.00 0.00 54.13 55.84 1a64 s LEU 63 Cb -0.15 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 1a64 s LEU 63 CO 0.20 -0.19 0.10 -0.75 -0.29 0.00 0.00 176.35 175.42 1a64 s LYS 64 N 1.91 3.84 -0.41 1.98 2.20 0.74 -4.99 119.74 125.01 1a64 s LYS 64 Ca 0.18 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1a64 s LYS 64 Cb -0.15 -3.37 0.07 0.00 -1.51 0.00 0.00 37.83 32.87 1a64 s LYS 64 CO 0.09 -0.02 0.24 0.42 -0.36 0.00 0.00 175.35 175.72 1a64 s ILE 65 N 1.21 4.20 0.20 5.43 1.01 -1.26 -1.62 121.20 130.37 1a64 s ILE 65 Ca 0.05 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 1a64 s ILE 65 Cb -0.14 -3.55 0.12 0.00 0.01 0.00 0.00 42.46 38.90 1a64 s ILE 65 CO 0.04 -0.47 1.75 0.11 0.00 0.00 0.00 174.94 176.37 1a64 h LYS 66 N 8.39 0.39 -2.74 2.79 1.57 -0.93 -3.41 116.57 122.63 1a64 h LYS 66 Ca -0.23 -0.02 -0.43 0.00 -1.87 0.00 0.00 60.65 58.10 1a64 h LYS 66 Cb 1.08 -0.09 -0.39 0.00 0.08 0.00 0.00 32.23 32.92 1a64 h LYS 66 CO 0.74 0.26 -0.71 1.21 -0.57 0.00 0.00 179.45 180.37 1a64 s ASN 67 N -5.40 2.34 0.20 0.86 2.47 -1.26 -5.13 114.94 109.02 1a64 s ASN 67 Ca -0.13 -0.71 -0.30 0.00 0.42 0.00 0.00 52.86 52.14 1a64 s ASN 67 Cb 0.16 -0.02 -0.09 0.00 -1.45 0.00 0.00 41.25 39.85 1a64 s ASN 67 CO 0.74 -0.37 1.27 -0.76 -3.72 0.00 0.00 177.10 174.26 1a64 s LEU 68 N 2.20 4.43 0.17 3.21 1.43 -1.26 -5.05 118.68 123.81 1a64 s LEU 68 Ca 0.06 2.35 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1a64 s LEU 68 Cb -0.16 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1a64 s LEU 68 CO -0.20 -0.47 -0.00 0.42 0.23 0.00 0.00 176.35 176.33 1a64 s THR 69 N 0.01 0.68 0.38 5.49 -4.23 -1.26 -5.04 115.64 111.66 1a64 s THR 69 Ca 0.55 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1a64 s THR 69 Cb -0.35 -2.10 0.37 0.00 1.34 0.00 0.00 72.50 71.76 1a64 s THR 69 CO 0.38 -0.49 1.76 -0.09 -0.54 0.00 0.00 174.62 175.64 1a64 h ARG 70 N 2.71 0.43 0.00 3.99 2.43 -1.97 0.17 114.38 122.15 1a64 h ARG 70 Ca -0.37 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1a64 h ARG 70 Cb 1.20 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1a64 h ARG 70 CO 0.63 0.29 0.00 -0.40 -1.51 0.00 0.00 179.97 178.97 1a64 n ASP 71 N -4.68 0.00 -0.65 -3.80 5.68 -1.26 -2.90 116.55 108.94 1a64 n ASP 71 Ca 0.25 -0.92 0.13 0.00 -0.50 0.00 0.00 54.79 53.75 1a64 n ASP 71 Cb 0.84 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 41.20 1a64 n ASP 71 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1a64 n ASP 72 N -0.92 2.02 -4.85 -1.12 8.00 0.05 -4.93 116.55 114.80 1a64 n ASP 72 Ca 0.16 -1.68 -0.32 0.00 0.71 0.00 0.00 54.79 53.66 1a64 n ASP 72 Cb 0.07 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1a64 n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a64 s SER 73 N -1.92 6.66 0.00 -2.24 1.04 -1.14 -4.95 113.70 111.14 1a64 s SER 73 Ca 0.35 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1a64 s SER 73 Cb 0.20 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1a64 s SER 73 CO 0.32 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1a64 n GLY 74 N -1.19 0.99 3.66 7.32 0.00 -0.51 -5.00 105.19 110.47 1a64 n GLY 74 Ca 0.05 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1a64 n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a64 s THR 75 N -1.71 5.18 -0.16 2.61 2.01 -1.26 -0.60 115.64 121.72 1a64 s THR 75 Ca 0.00 0.72 -0.05 0.00 0.31 0.00 0.00 61.69 62.68 1a64 s THR 75 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1a64 s THR 75 CO 0.00 0.22 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.84 1a64 s TYR 76 N 1.49 3.11 -0.19 4.92 1.51 -0.71 -4.95 117.35 122.53 1a64 s TYR 76 Ca 0.19 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1a64 s TYR 76 Cb -0.15 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 1a64 s TYR 76 CO 0.08 0.08 -0.01 -0.80 -1.11 0.00 0.00 175.55 173.79 1a64 s ASN 77 N 0.23 4.78 -0.11 2.29 0.01 -1.26 -0.81 114.94 120.07 1a64 s ASN 77 Ca -0.00 -0.20 -0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1a64 s ASN 77 Cb -0.13 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 1a64 s ASN 77 CO 0.02 0.08 -0.04 0.54 -1.51 0.00 0.00 177.10 176.19 1a64 s VAL 78 N 0.90 3.88 -0.04 1.60 0.11 0.16 -4.99 120.40 122.02 1a64 s VAL 78 Ca 0.01 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1a64 s VAL 78 Cb -0.14 -2.65 0.03 0.00 -1.53 0.00 0.00 36.38 32.09 1a64 s VAL 78 CO 0.02 0.55 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.44 1a64 s THR 79 N -0.26 0.25 -0.08 5.04 2.01 -1.26 -1.08 115.64 120.26 1a64 s THR 79 Ca 0.04 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1a64 s THR 79 Cb -0.13 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1a64 s THR 79 CO 0.02 0.18 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 1a64 s VAL 80 N 1.22 3.01 -0.00 3.82 1.01 -0.53 -5.01 120.40 123.92 1a64 s VAL 80 Ca -0.07 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1a64 s VAL 80 Cb -0.13 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1a64 s VAL 80 CO -0.02 0.56 -0.21 -0.31 0.00 0.00 0.00 175.10 175.13 1a64 s TYR 81 N -0.29 1.86 1.02 5.22 1.51 -1.26 -1.54 117.35 123.87 1a64 s TYR 81 Ca 0.02 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.55 1a64 s TYR 81 Cb -0.13 -1.17 0.24 0.00 -0.11 0.00 0.00 41.96 40.79 1a64 s TYR 81 CO 0.03 0.00 1.18 -1.13 -1.11 0.00 0.00 175.55 174.52 1a64 n SER 82 N 2.38 -0.70 0.14 2.29 3.41 -0.25 -4.86 113.62 116.03 1a64 n SER 82 Ca -0.16 -1.34 0.10 0.00 -0.26 0.00 0.00 58.87 57.22 1a64 n SER 82 Cb 0.53 -0.96 0.51 0.00 -0.26 0.00 0.00 64.21 64.02 1a64 n SER 82 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1a64 n THR 83 N -4.12 1.05 -1.08 6.66 5.66 -1.26 -0.82 114.28 120.38 1a64 n THR 83 Ca 0.15 0.56 0.06 0.00 -3.05 0.00 0.00 64.05 61.77 1a64 n THR 83 Cb 0.55 -1.53 0.24 0.00 -1.55 0.00 0.00 70.33 68.04 1a64 n THR 83 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1a64 n ASN 84 N -2.17 3.55 -1.98 1.09 0.23 -1.26 -4.96 115.26 109.76 1a64 n ASN 84 Ca -0.00 -3.15 -0.19 0.00 -0.53 0.00 0.00 54.58 50.71 1a64 n ASN 84 Cb 0.09 -0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 37.21 1a64 n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a64 n GLY 85 N -0.69 0.05 3.75 4.83 0.00 0.00 -4.99 105.19 108.14 1a64 n GLY 85 Ca 0.23 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1a64 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a64 s THR 86 N -2.88 4.99 -0.60 2.61 -4.23 -1.26 -4.76 115.64 109.52 1a64 s THR 86 Ca 0.00 1.22 -0.27 0.00 -1.18 0.00 0.00 61.69 61.46 1a64 s THR 86 Cb 0.00 -3.93 -0.01 0.00 1.34 0.00 0.00 72.50 69.90 1a64 s THR 86 CO 0.00 0.37 1.72 -0.60 -0.54 0.00 0.00 174.62 175.57 1a64 s ARG 87 N 0.14 2.84 0.00 3.99 3.52 -1.26 -1.09 118.95 127.10 1a64 s ARG 87 Ca 0.31 0.54 0.25 0.00 -0.13 0.00 0.00 55.73 56.70 1a64 s ARG 87 Cb -0.17 -4.31 0.49 0.00 -1.56 0.00 0.00 34.95 29.39 1a64 s ARG 87 CO 0.16 -2.48 1.40 0.44 -0.81 0.00 0.00 175.30 174.00 1a64 n ILE 88 N 7.07 0.00 -3.69 4.11 -6.64 -0.59 -4.93 119.36 114.69 1a64 n ILE 88 Ca 0.17 -0.08 -0.13 0.00 -1.77 0.00 0.00 62.75 60.93 1a64 n ILE 88 Cb 0.51 0.50 -0.09 0.00 -1.44 0.00 0.00 39.64 39.12 1a64 n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1a64 s LEU 89 N -2.73 -0.10 -0.29 7.28 1.98 -1.15 -4.98 118.68 118.70 1a64 s LEU 89 Ca 0.17 1.10 0.03 0.00 -2.89 0.00 0.00 54.13 52.55 1a64 s LEU 89 Cb 0.18 1.87 0.18 0.00 0.66 0.00 0.00 46.19 49.08 1a64 s LEU 89 CO 0.62 -0.19 0.49 -0.62 -1.89 0.00 0.00 176.35 174.76 1a64 s ASP 90 N 0.33 -0.48 0.17 3.68 2.15 -1.26 -1.46 116.67 119.80 1a64 s ASP 90 Ca -0.00 -0.09 0.09 0.00 0.43 0.00 0.00 52.55 52.98 1a64 s ASP 90 Cb -0.04 1.51 -0.04 0.00 -0.30 0.00 0.00 42.92 44.05 1a64 s ASP 90 CO 0.00 -0.33 -0.19 -0.54 -0.17 0.00 0.00 175.17 173.94 1a64 s LYS 91 N 2.67 1.31 -0.11 4.34 -0.14 -0.24 -4.99 119.74 122.58 1a64 s LYS 91 Ca 0.10 -1.43 0.03 0.00 -1.36 0.00 0.00 55.97 53.32 1a64 s LYS 91 Cb -0.12 -1.41 -0.00 0.00 -1.68 0.00 0.00 37.83 34.62 1a64 s LYS 91 CO -0.28 0.29 -0.21 0.00 -0.76 0.00 0.00 175.35 174.39 1a64 s ALA 92 N -1.99 2.28 -0.23 5.17 0.00 -1.26 -0.66 121.76 125.07 1a64 s ALA 92 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1a64 s ALA 92 Cb -0.06 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.19 1a64 s ALA 92 CO 0.07 0.28 -0.14 -0.51 0.00 0.00 0.00 175.76 175.46 1a64 s LEU 93 N 0.34 2.91 -0.64 0.00 1.43 0.01 -4.96 118.68 117.77 1a64 s LEU 93 Ca -0.17 -1.11 -0.27 0.00 -1.03 0.00 0.00 54.13 51.55 1a64 s LEU 93 Cb -0.17 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1a64 s LEU 93 CO 0.08 -0.13 1.17 -1.81 0.23 0.00 0.00 176.35 175.89 1a64 s ASP 94 N 1.19 6.31 -0.38 2.29 1.11 -1.26 -1.74 116.67 124.19 1a64 s ASP 94 Ca -0.04 -0.25 -0.25 0.00 0.18 0.00 0.00 52.55 52.19 1a64 s ASP 94 Cb -0.17 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.30 1a64 s ASP 94 CO -0.08 -1.57 0.88 -0.22 1.18 0.00 0.00 175.17 175.36 1a64 s LEU 95 N 5.02 4.04 -0.11 1.23 2.96 0.24 -4.96 118.68 127.09 1a64 s LEU 95 Ca 0.36 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1a64 s LEU 95 Cb -0.09 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 1a64 s LEU 95 CO 0.19 -0.84 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.23 1a64 s ARG 96 N 3.39 3.26 -0.19 1.98 0.52 -1.26 -1.42 118.95 125.23 1a64 s ARG 96 Ca 0.36 -0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1a64 s ARG 96 Cb -0.12 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 1a64 s ARG 96 CO 0.19 0.48 -0.08 0.42 0.02 0.00 0.00 175.30 176.33 1a64 s ILE 97 N -0.29 3.24 -0.06 1.52 1.01 -1.26 -5.06 121.20 120.30 1a64 s ILE 97 Ca 0.05 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1a64 s ILE 97 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1a64 s ILE 97 CO 0.02 0.47 1.16 -0.22 0.00 0.00 0.00 174.94 176.37 1a64 s LEU 98 N 1.05 4.28 0.00 2.97 0.20 -1.26 -5.06 118.68 120.86 1a64 s LEU 98 Ca 0.00 1.77 0.04 0.00 0.69 0.00 0.00 54.13 56.63 1a64 s LEU 98 Cb -0.15 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.08 1a64 s LEU 98 CO -0.01 -0.55 0.62 -0.62 -0.29 0.00 0.00 176.35 175.50