#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 3.85 -0.07 2.61 2.01 -1.26 -5.10 115.64 117.69 1a64 s THR 5 Ca 0.00 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1a64 s THR 5 Cb 0.00 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1a64 s THR 5 CO 0.00 0.42 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 1a64 s VAL 6 N 1.18 2.92 -0.14 3.82 1.01 -1.26 -5.12 120.40 122.81 1a64 s VAL 6 Ca 0.03 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1a64 s VAL 6 Cb -0.14 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1a64 s VAL 6 CO 0.01 0.57 -0.04 0.26 0.00 0.00 0.00 175.10 175.90 1a64 s TRP 7 N -0.37 3.03 0.46 5.22 0.52 -1.26 -5.11 118.94 121.42 1a64 s TRP 7 Ca 0.04 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 55.98 1a64 s TRP 7 Cb -0.12 -1.91 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 1a64 s TRP 7 CO 0.02 0.06 0.07 0.20 0.02 0.00 0.00 176.95 177.32 1a64 s GLY 8 N 0.09 2.80 0.02 0.98 0.00 -1.26 -5.12 107.32 104.83 1a64 s GLY 8 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1a64 s GLY 8 CO 0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 173.10 171.08 1a64 s ALA 9 N -3.05 0.21 0.35 3.20 0.00 -1.26 -5.11 121.76 116.10 1a64 s ALA 9 Ca 0.16 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.22 1a64 s ALA 9 Cb 0.02 0.13 -0.12 0.00 0.00 0.00 0.00 23.12 23.15 1a64 s ALA 9 CO 0.09 -0.13 1.42 1.28 0.00 0.00 0.00 175.76 178.43 1a64 n LEU 10 N 1.60 4.24 0.00 0.00 4.77 -1.26 -2.18 117.00 124.18 1a64 n LEU 10 Ca -0.24 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1a64 n LEU 10 Cb 0.55 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1a64 n LEU 10 CO 0.20 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1a64 n GLY 11 N 0.77 2.15 3.79 -0.72 0.00 -1.26 -5.02 105.19 104.91 1a64 n GLY 11 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.94 3.04 0.51 1.61 3.76 -0.92 -5.13 115.29 115.21 1a64 s HIS 12 Ca 0.00 -0.13 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 1a64 s HIS 12 Cb 0.00 -1.37 0.05 0.00 1.11 0.00 0.00 32.58 32.37 1a64 s HIS 12 CO 0.00 0.54 0.70 0.20 -0.85 0.00 0.00 174.74 175.33 1a64 s GLY 13 N -3.80 1.84 -0.09 -2.22 0.00 -1.26 -4.79 107.32 97.00 1a64 s GLY 13 Ca 0.33 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 1a64 s GLY 13 CO 0.24 -1.50 0.72 -1.50 0.00 0.00 0.00 173.10 171.06 1a64 s ILE 14 N -2.55 0.00 -0.21 0.90 2.07 -1.26 -4.89 121.20 115.26 1a64 s ILE 14 Ca 0.58 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.78 1a64 s ILE 14 Cb -0.08 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.49 1a64 s ILE 14 CO 0.36 0.00 -0.03 0.20 -1.91 0.00 0.00 174.94 173.57 1a64 s ASN 15 N -1.01 4.52 -0.40 4.50 0.01 -1.26 -5.07 114.94 116.23 1a64 s ASN 15 Ca -0.09 -0.30 -0.24 0.00 -0.71 0.00 0.00 52.86 51.52 1a64 s ASN 15 Cb -0.01 -1.77 0.02 0.00 0.41 0.00 0.00 41.25 39.90 1a64 s ASN 15 CO 0.08 0.03 0.81 -0.76 -1.51 0.00 0.00 177.10 175.75 1a64 s LEU 16 N 1.21 4.14 -0.09 0.60 1.43 -1.26 -5.02 118.68 119.68 1a64 s LEU 16 Ca 0.03 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 1a64 s LEU 16 Cb -0.14 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1a64 s LEU 16 CO -0.00 -0.84 0.67 0.20 0.23 0.00 0.00 176.35 176.60 1a64 s ASN 17 N 1.99 6.91 -0.36 2.29 -0.87 -1.26 -5.02 114.94 118.62 1a64 s ASN 17 Ca 0.32 1.09 -0.29 0.00 -1.57 0.00 0.00 52.86 52.41 1a64 s ASN 17 Cb -0.12 -2.39 0.01 0.00 -0.02 0.00 0.00 41.25 38.73 1a64 s ASN 17 CO 0.20 -0.13 1.24 -0.63 -2.57 0.00 0.00 177.10 175.21 1a64 s ILE 18 N 0.96 4.19 0.76 0.60 1.01 -1.26 -4.98 121.20 122.48 1a64 s ILE 18 Ca 0.35 1.30 -0.14 0.00 0.00 0.00 0.00 60.65 62.16 1a64 s ILE 18 Cb -0.17 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.04 1a64 s ILE 18 CO 0.16 -0.64 1.18 -2.84 0.00 0.00 0.00 174.94 172.80 1a64 s PRO 19 N 4.26 1.98 -0.59 2.79 0.02 -1.26 -3.67 135.00 138.54 1a64 s PRO 19 Ca 0.53 1.65 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 1a64 s PRO 19 Cb -0.13 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.64 1a64 s PRO 19 CO 0.25 -1.93 0.18 0.27 -0.33 0.00 0.00 177.00 175.44 1a64 n ASN 20 N -3.04 -0.55 -3.91 2.53 2.04 -1.26 -4.85 115.26 106.22 1a64 n ASN 20 Ca 0.13 -0.39 -0.20 0.00 -0.44 0.00 0.00 54.58 53.68 1a64 n ASN 20 Cb 0.51 -0.50 -0.16 0.00 -2.53 0.00 0.00 39.78 37.10 1a64 n ASN 20 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 1a64 s PHE 21 N -1.74 0.77 -0.06 -2.53 5.36 -1.24 -5.13 117.98 113.41 1a64 s PHE 21 Ca 0.26 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.04 1a64 s PHE 21 Cb -0.15 -0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.85 1a64 s PHE 21 CO 0.32 -0.17 -0.11 -1.14 -1.46 0.00 0.00 175.22 172.66 1a64 s GLN 22 N 0.74 2.63 -0.19 10.12 2.00 -1.26 -4.92 119.66 128.79 1a64 s GLN 22 Ca -0.10 -0.63 -0.24 0.00 -2.00 0.00 0.00 55.36 52.38 1a64 s GLN 22 Cb -0.13 -2.48 -0.01 0.00 0.80 0.00 0.00 33.01 31.19 1a64 s GLN 22 CO 0.00 0.63 0.80 1.41 -0.50 0.00 0.00 175.29 177.63 1a64 s MET 23 N -0.73 4.26 0.40 1.67 -2.45 -1.26 -5.05 119.30 116.14 1a64 s MET 23 Ca 0.11 0.94 0.03 0.00 -1.25 0.00 0.00 55.69 55.53 1a64 s MET 23 Cb -0.11 -3.59 -0.04 0.00 1.25 0.00 0.00 34.83 32.34 1a64 s MET 23 CO 0.01 -0.35 0.08 0.95 1.05 0.00 0.00 175.02 176.75 1a64 s THR 24 N 2.25 0.98 -1.62 10.11 -4.23 -1.26 -5.03 115.64 116.85 1a64 s THR 24 Ca 0.36 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.13 1a64 s THR 24 Cb -0.16 -2.49 0.55 0.00 1.34 0.00 0.00 72.50 71.73 1a64 s THR 24 CO 0.11 0.00 1.89 0.47 -0.54 0.00 0.00 174.62 176.55 1a64 n ASP 25 N -1.09 0.00 -0.22 3.99 9.92 -1.26 -2.92 116.55 124.97 1a64 n ASP 25 Ca -0.07 -0.32 0.13 0.00 -0.53 0.00 0.00 54.79 53.99 1a64 n ASP 25 Cb 0.66 -0.19 0.38 0.00 -0.64 0.00 0.00 41.12 41.33 1a64 n ASP 25 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1a64 n ASP 26 N -1.19 0.94 -4.72 -2.24 2.03 -1.26 -4.86 116.55 105.25 1a64 n ASP 26 Ca 0.15 -0.81 -0.35 0.00 0.52 0.00 0.00 54.79 54.29 1a64 n ASP 26 Cb 0.17 0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 40.61 1a64 n ASP 26 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a64 s ILE 27 N -2.54 5.09 -0.07 5.18 -5.25 -1.15 -4.98 121.20 117.48 1a64 s ILE 27 Ca 0.23 0.07 0.02 0.00 -0.99 0.00 0.00 60.65 59.98 1a64 s ILE 27 Cb 0.19 -3.27 -0.25 0.00 2.95 0.00 0.00 42.46 42.08 1a64 s ILE 27 CO 0.53 0.50 0.57 -0.78 -1.79 0.00 0.00 174.94 173.97 1a64 h ASP 28 N 6.18 0.25 -4.31 4.36 3.58 -1.90 -3.46 116.42 121.11 1a64 h ASP 28 Ca -0.43 -0.51 -0.13 0.00 0.42 0.00 0.00 57.03 56.37 1a64 h ASP 28 Cb 1.18 -0.08 -0.23 0.00 1.72 0.00 0.00 39.33 41.92 1a64 h ASP 28 CO 0.68 1.45 -0.31 -0.70 -2.88 0.00 0.00 179.24 177.49 1a64 s GLU 29 N -2.58 0.50 -0.12 0.28 2.12 -1.26 -0.58 118.70 117.06 1a64 s GLU 29 Ca -0.13 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.41 1a64 s GLU 29 Cb 0.07 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.71 1a64 s GLU 29 CO 0.81 -0.10 -0.14 0.08 -0.54 0.00 0.00 175.26 175.37 1a64 s VAL 30 N -0.43 1.45 -0.10 3.70 1.01 -0.62 -4.98 120.40 120.42 1a64 s VAL 30 Ca -0.05 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1a64 s VAL 30 Cb -0.04 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1a64 s VAL 30 CO 0.02 0.43 -0.17 -0.60 0.00 0.00 0.00 175.10 174.78 1a64 s ARG 31 N 1.22 2.36 -0.14 2.72 3.52 -1.26 -1.21 118.95 126.17 1a64 s ARG 31 Ca -0.02 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1a64 s ARG 31 Cb -0.14 -1.92 -0.02 0.00 -1.56 0.00 0.00 34.95 31.31 1a64 s ARG 31 CO -0.05 0.02 -0.11 -1.58 -0.81 0.00 0.00 175.30 172.77 1a64 s TRP 32 N 0.75 2.85 0.06 5.12 0.52 0.04 -5.02 118.94 123.26 1a64 s TRP 32 Ca -0.11 -0.57 0.00 0.00 0.02 0.00 0.00 56.10 55.43 1a64 s TRP 32 Cb -0.16 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1a64 s TRP 32 CO 0.02 -0.18 -0.04 -1.21 0.02 0.00 0.00 176.95 175.56 1a64 s GLU 33 N 0.35 0.64 -0.26 4.98 2.02 -1.26 -1.49 118.70 123.68 1a64 s GLU 33 Ca -0.10 -1.17 -0.04 0.00 0.02 0.00 0.00 54.97 53.69 1a64 s GLU 33 Cb -0.16 0.06 0.09 0.00 0.10 0.00 0.00 34.13 34.22 1a64 s GLU 33 CO 0.05 -0.07 0.11 0.50 0.02 0.00 0.00 175.26 175.87 1a64 s ARG 34 N -3.52 0.24 6.98 1.61 3.52 -0.63 -4.91 118.95 122.24 1a64 s ARG 34 Ca 0.05 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 1a64 s ARG 34 Cb 0.04 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.99 1a64 s ARG 34 CO -0.07 -0.92 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 1a64 n GLY 35 N 5.20 2.42 0.51 8.12 0.00 -1.26 -2.08 105.19 118.10 1a64 n GLY 35 Ca -0.06 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 5.07 1.56 -4.72 1.61 3.41 -1.26 -4.88 113.62 114.41 1a64 n SER 36 Ca 0.00 -1.61 -0.39 0.00 -0.26 0.00 0.00 58.87 56.61 1a64 n SER 36 Cb 0.00 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.88 5.12 -0.25 6.66 2.01 -0.88 -5.05 115.64 121.38 1a64 s THR 37 Ca 0.35 1.16 -0.22 0.00 0.31 0.00 0.00 61.69 63.29 1a64 s THR 37 Cb 0.19 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1a64 s THR 37 CO 0.29 0.28 0.69 -0.22 -0.69 0.00 0.00 174.62 174.97 1a64 s LEU 38 N 0.78 4.07 -0.19 4.42 2.96 -1.26 -1.60 118.68 127.85 1a64 s LEU 38 Ca 0.31 0.81 -0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1a64 s LEU 38 Cb -0.16 -2.95 -0.21 0.00 0.50 0.00 0.00 46.19 43.36 1a64 s LEU 38 CO 0.13 -0.41 0.07 0.52 -1.32 0.00 0.00 176.35 175.34 1a64 n VAL 39 N 5.20 1.64 -3.58 1.68 0.31 -0.55 -4.99 118.33 118.04 1a64 n VAL 39 Ca 0.01 -0.59 -0.15 0.00 -0.01 0.00 0.00 64.34 63.60 1a64 n VAL 39 Cb 0.48 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1a64 n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a64 s ALA 40 N -2.53 -1.82 -0.21 3.52 0.00 -1.12 -5.02 121.76 114.57 1a64 s ALA 40 Ca -0.29 1.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 1a64 s ALA 40 Cb 0.08 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1a64 s ALA 40 CO 0.68 -0.34 0.56 -2.00 0.00 0.00 0.00 175.76 174.66 1a64 s GLU 41 N -0.54 0.62 -0.01 0.00 2.12 -1.26 -0.78 118.70 118.86 1a64 s GLU 41 Ca -0.05 0.84 0.07 0.00 0.36 0.00 0.00 54.97 56.19 1a64 s GLU 41 Cb -0.02 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 1a64 s GLU 41 CO 0.04 -0.10 -0.22 0.12 -0.54 0.00 0.00 175.26 174.56 1a64 s PHE 42 N 0.62 1.99 -0.23 5.30 5.36 -0.35 -4.99 117.98 125.69 1a64 s PHE 42 Ca -0.03 -0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 55.51 1a64 s PHE 42 Cb -0.05 -1.28 0.12 0.00 -0.34 0.00 0.00 43.02 41.47 1a64 s PHE 42 CO -0.04 -0.03 0.46 0.21 -1.46 0.00 0.00 175.22 174.36 1a64 s LYS 43 N -0.57 0.39 -0.07 10.12 2.20 -1.25 -1.60 119.74 128.96 1a64 s LYS 43 Ca 0.09 0.96 -0.26 0.00 -0.36 0.00 0.00 55.97 56.40 1a64 s LYS 43 Cb -0.09 0.22 -0.24 0.00 -1.51 0.00 0.00 37.83 36.22 1a64 s LYS 43 CO -0.01 -0.38 1.00 0.07 -0.36 0.00 0.00 175.35 175.67 1a64 h ARG 44 N 8.13 0.07 -7.10 4.03 0.11 -1.17 -3.46 114.38 115.00 1a64 h ARG 44 Ca -0.18 -0.08 -0.45 0.00 0.10 0.00 0.00 59.98 59.37 1a64 h ARG 44 Cb 1.12 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1a64 h ARG 44 CO 0.17 0.85 0.35 0.15 0.10 0.00 0.00 179.97 181.59 1a64 s LYS 45 N -3.08 4.13 0.56 0.08 1.02 -1.26 -5.05 119.74 116.13 1a64 s LYS 45 Ca -0.17 1.06 -0.17 0.00 0.02 0.00 0.00 55.97 56.70 1a64 s LYS 45 Cb -0.00 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1a64 s LYS 45 CO 0.71 -0.11 1.05 -2.14 -0.92 0.00 0.00 175.35 173.94 1a64 s PRO 48 N -3.49 3.47 0.15 -1.68 0.02 -1.26 -5.02 135.00 127.19 1a64 s PRO 48 Ca 0.61 1.26 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 1a64 s PRO 48 Cb -0.09 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 1a64 s PRO 48 CO 0.19 -0.69 1.02 0.12 -0.33 0.00 0.00 177.00 177.31 1a64 s PHE 49 N -2.29 3.73 -0.02 6.54 5.36 -1.26 -5.04 117.98 125.00 1a64 s PHE 49 Ca 0.65 1.72 -0.00 0.00 -0.96 0.00 0.00 56.93 58.34 1a64 s PHE 49 Cb -0.16 -3.15 0.03 0.00 -0.34 0.00 0.00 43.02 39.40 1a64 s PHE 49 CO 0.31 -0.14 0.04 -0.51 -1.46 0.00 0.00 175.22 173.46 1a64 s LEU 50 N -0.25 1.21 0.26 6.12 1.43 -1.26 -4.93 118.68 121.26 1a64 s LEU 50 Ca 0.48 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1a64 s LEU 50 Cb -0.26 -0.01 0.40 0.00 0.03 0.00 0.00 46.19 46.34 1a64 s LEU 50 CO 0.32 -0.11 1.86 0.50 0.23 0.00 0.00 176.35 179.16 1a64 h LYS 51 N 7.07 1.03 0.00 1.70 3.64 -1.96 -3.46 116.57 124.58 1a64 h LYS 51 Ca -0.41 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1a64 h LYS 51 Cb 1.14 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1a64 h LYS 51 CO 0.48 0.68 0.48 -1.13 -2.27 0.00 0.00 179.45 177.69 1a64 n SER 52 N -4.57 -1.89 0.00 4.20 3.41 -1.26 -5.00 113.62 108.50 1a64 n SER 52 Ca 0.15 -2.11 0.07 0.00 -0.26 0.00 0.00 58.87 56.71 1a64 n SER 52 Cb 0.21 3.10 0.31 0.00 -0.26 0.00 0.00 64.21 67.57 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 -0.65 -0.97 0.00 5.00 0.00 -1.26 -2.59 105.19 104.72 1a64 n GLY 53 Ca -0.04 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.48 1.55 -2.41 4.61 0.00 -1.26 -4.79 120.51 116.74 1a64 n ALA 54 Ca 0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1a64 n ALA 54 Cb 0.16 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.96 1.80 -0.29 0.00 0.40 -1.07 -1.27 117.98 114.60 1a64 s PHE 55 Ca 0.06 -1.07 -0.22 0.00 -0.60 0.00 0.00 56.93 55.11 1a64 s PHE 55 Cb 0.08 -1.14 0.14 0.00 0.51 0.00 0.00 43.02 42.61 1a64 s PHE 55 CO 0.21 -0.14 1.09 -1.83 0.70 0.00 0.00 175.22 175.25 1a64 s GLU 56 N -3.93 0.37 -0.19 0.44 -1.05 -0.95 -4.89 118.70 108.50 1a64 s GLU 56 Ca 0.36 0.51 -0.17 0.00 -0.15 0.00 0.00 54.97 55.52 1a64 s GLU 56 Cb 0.08 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 1a64 s GLU 56 CO 0.15 -0.06 0.44 -1.50 0.95 0.00 0.00 175.26 175.24 1a64 s ILE 57 N 0.57 5.17 0.66 1.83 2.07 -1.26 -1.63 121.20 128.61 1a64 s ILE 57 Ca -0.00 0.80 -0.10 0.00 -1.41 0.00 0.00 60.65 59.94 1a64 s ILE 57 Cb -0.04 -3.77 -0.00 0.00 0.13 0.00 0.00 42.46 38.77 1a64 s ILE 57 CO -0.11 0.24 1.05 -0.76 -1.91 0.00 0.00 174.94 173.45 1a64 s LEU 58 N 1.31 3.05 0.60 8.50 1.43 -0.34 -4.93 118.68 128.30 1a64 s LEU 58 Ca 0.21 1.15 0.36 0.00 -1.03 0.00 0.00 54.13 54.82 1a64 s LEU 58 Cb -0.15 -4.02 1.94 0.00 0.03 0.00 0.00 46.19 43.99 1a64 s LEU 58 CO 0.09 -1.16 2.09 0.00 0.23 0.00 0.00 176.35 177.59 1a64 h ALA 59 N -0.48 1.11 -0.47 4.21 0.00 -1.98 0.82 119.26 122.47 1a64 h ALA 59 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a64 h ALA 59 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a64 h ALA 59 CO 0.63 -0.11 0.00 0.27 0.00 0.00 0.00 179.25 180.04 1a64 n ASN 60 N -2.86 3.30 0.00 0.00 6.94 -1.26 -4.94 115.26 116.44 1a64 n ASN 60 Ca -0.02 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 1a64 n ASN 60 Cb 0.17 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 1.49 1.53 3.75 4.83 0.00 0.28 -5.06 105.19 112.01 1a64 n GLY 61 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.75 4.94 -0.29 1.61 1.11 -1.26 -4.68 116.67 115.35 1a64 s ASP 62 Ca 0.00 2.28 -0.11 0.00 0.18 0.00 0.00 52.55 54.90 1a64 s ASP 62 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1a64 s ASP 62 CO 0.00 -1.76 0.18 -0.22 1.18 0.00 0.00 175.17 174.55 1a64 s LEU 63 N -4.52 4.03 -0.26 1.23 0.20 -1.26 -1.20 118.68 116.90 1a64 s LEU 63 Ca 0.74 -0.15 -0.10 0.00 0.69 0.00 0.00 54.13 55.31 1a64 s LEU 63 Cb -0.27 -2.09 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 1a64 s LEU 63 CO 0.38 -0.09 0.15 -0.75 -0.29 0.00 0.00 176.35 175.75 1a64 s LYS 64 N 1.72 3.90 -0.38 1.98 2.20 -0.65 -5.01 119.74 123.51 1a64 s LYS 64 Ca 0.07 -0.35 -0.13 0.00 -0.36 0.00 0.00 55.97 55.20 1a64 s LYS 64 Cb -0.16 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1a64 s LYS 64 CO 0.10 -0.11 0.24 0.42 -0.36 0.00 0.00 175.35 175.63 1a64 s ILE 65 N 1.52 4.88 0.14 5.43 1.01 -1.26 -2.25 121.20 130.67 1a64 s ILE 65 Ca 0.07 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 1a64 s ILE 65 Cb -0.15 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1a64 s ILE 65 CO 0.08 -0.24 1.77 0.11 0.00 0.00 0.00 174.94 176.65 1a64 h LYS 66 N 8.51 0.27 -3.18 2.79 1.57 -1.52 -3.41 116.57 121.59 1a64 h LYS 66 Ca -0.27 -0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 57.98 1a64 h LYS 66 Cb 1.12 -0.06 -0.40 0.00 0.08 0.00 0.00 32.23 32.96 1a64 h LYS 66 CO 0.69 0.18 -0.76 1.21 -0.57 0.00 0.00 179.45 180.19 1a64 s ASN 67 N -5.37 3.08 0.14 0.86 2.47 -1.26 -5.13 114.94 109.73 1a64 s ASN 67 Ca -0.13 -1.01 -0.31 0.00 0.42 0.00 0.00 52.86 51.83 1a64 s ASN 67 Cb 0.10 -0.46 -0.09 0.00 -1.45 0.00 0.00 41.25 39.36 1a64 s ASN 67 CO 0.70 -0.37 1.43 -0.76 -3.72 0.00 0.00 177.10 174.38 1a64 s LEU 68 N 1.98 4.37 0.29 3.21 1.43 -1.26 -5.04 118.68 123.67 1a64 s LEU 68 Ca 0.04 2.43 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1a64 s LEU 68 Cb -0.16 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1a64 s LEU 68 CO -0.19 -0.69 0.07 0.42 0.23 0.00 0.00 176.35 176.19 1a64 s THR 69 N 0.96 0.95 0.35 5.49 -4.23 -1.26 -5.04 115.64 112.86 1a64 s THR 69 Ca 0.65 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.23 1a64 s THR 69 Cb -0.39 -2.71 0.31 0.00 1.34 0.00 0.00 72.50 71.06 1a64 s THR 69 CO 0.32 -0.02 1.87 -0.09 -0.54 0.00 0.00 174.62 176.16 1a64 h ARG 70 N 2.24 0.72 0.00 3.99 2.43 -1.96 -1.86 114.38 119.92 1a64 h ARG 70 Ca -0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1a64 h ARG 70 Cb 1.24 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1a64 h ARG 70 CO 0.66 0.48 0.00 -0.40 -1.51 0.00 0.00 179.97 179.20 1a64 n ASP 71 N -4.56 0.00 -0.07 -3.80 5.75 -1.26 -3.01 116.55 109.61 1a64 n ASP 71 Ca 0.17 -0.57 0.12 0.00 -0.01 0.00 0.00 54.79 54.50 1a64 n ASP 71 Cb 0.43 -0.06 0.27 0.00 -1.03 0.00 0.00 41.12 40.73 1a64 n ASP 71 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1a64 n ASP 72 N -1.06 0.67 -4.80 -1.12 8.00 -0.70 -4.92 116.55 112.62 1a64 n ASP 72 Ca 0.16 -0.46 -0.33 0.00 0.71 0.00 0.00 54.79 54.87 1a64 n ASP 72 Cb 0.10 0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.86 5.98 0.00 -2.24 1.04 -1.16 -4.92 113.70 109.54 1a64 s SER 73 Ca 0.15 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1a64 s SER 73 Cb 0.18 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1a64 s SER 73 CO 0.66 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1a64 n GLY 74 N -0.81 0.96 3.65 7.32 0.00 0.08 -4.98 105.19 111.41 1a64 n GLY 74 Ca 0.09 -1.95 -0.39 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 -1.62 5.16 -0.20 2.61 2.01 -1.26 0.76 115.64 123.10 1a64 s THR 75 Ca 0.00 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 62.74 1a64 s THR 75 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1a64 s THR 75 CO 0.00 0.20 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.79 1a64 s TYR 76 N 1.59 2.98 -0.16 4.92 1.51 0.66 -4.91 117.35 123.94 1a64 s TYR 76 Ca 0.20 -0.65 -0.10 0.00 -1.01 0.00 0.00 57.07 55.51 1a64 s TYR 76 Cb -0.15 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1a64 s TYR 76 CO 0.09 -0.34 0.17 -0.80 -1.11 0.00 0.00 175.55 173.56 1a64 s ASN 77 N 1.08 6.33 -0.06 2.29 0.01 -1.26 -0.58 114.94 122.75 1a64 s ASN 77 Ca 0.01 0.38 0.06 0.00 -0.71 0.00 0.00 52.86 52.60 1a64 s ASN 77 Cb -0.15 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 1a64 s ASN 77 CO 0.00 0.24 -0.23 0.54 -1.51 0.00 0.00 177.10 176.14 1a64 s VAL 78 N -0.09 2.23 -0.02 1.60 0.11 0.09 -5.00 120.40 119.32 1a64 s VAL 78 Ca 0.12 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.19 1a64 s VAL 78 Cb -0.12 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 1a64 s VAL 78 CO 0.01 0.57 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.39 1a64 s THR 79 N -0.22 0.61 -0.04 5.04 2.01 -1.26 -1.41 115.64 120.36 1a64 s THR 79 Ca -0.02 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1a64 s THR 79 Cb -0.13 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.83 1a64 s THR 79 CO 0.03 0.20 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.31 1a64 s VAL 80 N 0.17 1.33 0.04 3.82 1.01 -0.68 -5.00 120.40 121.09 1a64 s VAL 80 Ca -0.02 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1a64 s VAL 80 Cb -0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1a64 s VAL 80 CO 0.00 0.39 -0.26 -0.31 0.00 0.00 0.00 175.10 174.92 1a64 s TYR 81 N 0.10 2.26 0.83 5.22 2.02 -1.26 -2.19 117.35 124.33 1a64 s TYR 81 Ca -0.05 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1a64 s TYR 81 Cb -0.11 -1.36 0.09 0.00 -0.40 0.00 0.00 41.96 40.17 1a64 s TYR 81 CO 0.02 0.11 1.18 -1.54 -1.57 0.00 0.00 175.55 173.75 1a64 s SER 82 N -1.17 4.31 0.40 2.29 1.04 0.69 -4.89 113.70 116.38 1a64 s SER 82 Ca 0.11 0.78 0.13 0.00 0.48 0.00 0.00 55.95 57.44 1a64 s SER 82 Cb -0.10 -1.25 0.70 0.00 0.10 0.00 0.00 66.02 65.47 1a64 s SER 82 CO 0.02 -2.03 1.29 0.00 0.98 0.00 0.00 173.24 173.50 1a64 h THR 83 N -1.14 0.00 -0.25 2.02 1.03 -2.01 -0.79 112.91 111.77 1a64 h THR 83 Ca -0.46 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 65.78 1a64 h THR 83 Cb 1.33 0.28 -0.10 0.00 -1.07 0.00 0.00 68.15 68.59 1a64 h THR 83 CO 0.64 0.00 -0.33 -0.46 -0.01 0.00 0.00 175.52 175.36 1a64 n ASN 84 N -2.16 2.49 0.00 0.00 0.23 -1.26 -4.96 115.26 109.60 1a64 n ASN 84 Ca -0.01 -3.85 0.00 0.00 -0.53 0.00 0.00 54.58 50.20 1a64 n ASN 84 Cb 0.44 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 -1.08 2.64 3.72 4.83 0.00 -0.30 -5.00 105.19 110.01 1a64 n GLY 85 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1a64 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a64 s THR 86 N -1.99 2.20 -0.35 2.61 2.01 -1.26 -4.69 115.64 114.17 1a64 s THR 86 Ca 0.00 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1a64 s THR 86 Cb 0.00 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.72 1a64 s THR 86 CO 0.00 -0.04 0.15 -0.60 -0.69 0.00 0.00 174.62 173.43 1a64 s ARG 87 N -3.70 2.81 0.00 4.92 3.52 -1.26 -0.22 118.95 125.02 1a64 s ARG 87 Ca 0.77 -1.07 0.21 0.00 -0.13 0.00 0.00 55.73 55.51 1a64 s ARG 87 Cb -0.32 -3.56 -0.08 0.00 -1.56 0.00 0.00 34.95 29.43 1a64 s ARG 87 CO 0.43 -0.63 0.97 0.44 -0.81 0.00 0.00 175.30 175.69 1a64 n ILE 88 N 4.90 0.00 -3.58 4.11 -0.00 -0.93 -4.99 119.36 118.87 1a64 n ILE 88 Ca -0.13 -0.20 -0.15 0.00 -0.00 0.00 0.00 62.75 62.28 1a64 n ILE 88 Cb 0.46 1.16 -0.07 0.00 -0.00 0.00 0.00 39.64 41.19 1a64 n ILE 88 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1a64 s LEU 89 N -2.56 -0.68 -0.35 7.28 0.20 -1.19 -4.98 118.68 116.39 1a64 s LEU 89 Ca 0.14 1.08 0.06 0.00 0.69 0.00 0.00 54.13 56.10 1a64 s LEU 89 Cb 0.16 2.44 0.18 0.00 -0.43 0.00 0.00 46.19 48.54 1a64 s LEU 89 CO 0.63 -0.40 0.55 -0.62 -0.29 0.00 0.00 176.35 176.22 1a64 s ASP 90 N -0.33 -0.86 0.04 3.68 -1.08 -1.26 -1.69 116.67 115.18 1a64 s ASP 90 Ca -0.04 -0.58 0.05 0.00 -0.52 0.00 0.00 52.55 51.46 1a64 s ASP 90 Cb -0.03 1.64 -0.03 0.00 -1.46 0.00 0.00 42.92 43.04 1a64 s ASP 90 CO 0.04 -0.25 -0.10 -0.54 0.52 0.00 0.00 175.17 174.85 1a64 s LYS 91 N 2.16 2.34 -0.12 4.34 3.01 -0.50 -4.96 119.74 126.01 1a64 s LYS 91 Ca 0.14 -0.86 -0.01 0.00 -1.01 0.00 0.00 55.97 54.23 1a64 s LYS 91 Cb -0.09 -2.38 -0.03 0.00 -1.01 0.00 0.00 37.83 34.32 1a64 s LYS 91 CO -0.15 0.56 -0.07 0.00 0.51 0.00 0.00 175.35 176.20 1a64 s ALA 92 N -1.04 2.91 -0.16 5.17 0.00 -1.26 -0.73 121.76 126.64 1a64 s ALA 92 Ca 0.18 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1a64 s ALA 92 Cb -0.11 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.70 1a64 s ALA 92 CO 0.09 0.36 -0.03 -0.51 0.00 0.00 0.00 175.76 175.67 1a64 s LEU 93 N -0.10 1.45 -0.73 0.00 1.43 0.25 -4.95 118.68 116.02 1a64 s LEU 93 Ca 0.01 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.24 1a64 s LEU 93 Cb -0.13 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.34 1a64 s LEU 93 CO 0.03 -0.21 1.10 -0.62 0.23 0.00 0.00 176.35 176.88 1a64 s ASP 94 N 1.70 6.24 -0.18 2.29 2.15 -1.26 -0.24 116.67 127.37 1a64 s ASP 94 Ca 0.01 -0.98 -0.27 0.00 0.43 0.00 0.00 52.55 51.74 1a64 s ASP 94 Cb -0.15 -2.47 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 1a64 s ASP 94 CO -0.07 -1.52 0.92 -0.22 -0.17 0.00 0.00 175.17 174.10 1a64 s LEU 95 N 4.46 4.16 -0.07 -1.34 2.96 0.23 -4.93 118.68 124.16 1a64 s LEU 95 Ca 0.28 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.52 1a64 s LEU 95 Cb -0.12 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1a64 s LEU 95 CO 0.08 -0.48 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.30 1a64 s ARG 96 N 2.43 2.71 -0.21 1.98 0.52 -1.26 -0.74 118.95 124.38 1a64 s ARG 96 Ca 0.41 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 1a64 s ARG 96 Cb -0.16 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 1a64 s ARG 96 CO 0.12 0.41 -0.04 0.42 0.02 0.00 0.00 175.30 176.22 1a64 s ILE 97 N -0.20 3.46 0.23 1.52 -1.09 -1.26 -5.04 121.20 118.81 1a64 s ILE 97 Ca -0.01 -0.47 -0.27 0.00 -2.23 0.00 0.00 60.65 57.67 1a64 s ILE 97 Cb -0.13 -2.57 -0.09 0.00 -1.58 0.00 0.00 42.46 38.09 1a64 s ILE 97 CO 0.03 0.43 0.86 -0.22 -1.23 0.00 0.00 174.94 174.81 1a64 s LEU 98 N 1.33 4.54 0.00 2.97 2.96 -1.26 -5.05 118.68 124.17 1a64 s LEU 98 Ca 0.04 1.77 0.08 0.00 -0.22 0.00 0.00 54.13 55.80 1a64 s LEU 98 Cb -0.14 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.04 1a64 s LEU 98 CO -0.02 0.12 0.75 -0.62 -1.32 0.00 0.00 176.35 175.27