#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5m n SER 2 N 0.00 0.00 -3.71 3.17 3.41 -1.26 -5.06 113.62 110.17 2h5m n SER 2 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2h5m n SER 2 Cb 0.00 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 2h5m n SER 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2h5m s ASN 3 N -1.26 -0.21 -1.21 4.04 3.84 -1.26 -5.06 114.94 113.83 2h5m s ASN 3 Ca 0.00 -0.10 -0.07 0.00 0.21 0.00 0.00 52.86 52.90 2h5m s ASN 3 Cb 0.00 0.39 -0.03 0.00 -0.55 0.00 0.00 41.25 41.07 2h5m s ASN 3 CO 0.00 -0.64 2.83 -0.11 -2.79 0.00 0.00 177.10 176.39 2h5m n LEU 4 N 0.53 7.88 -4.77 3.21 7.94 -1.26 -4.73 117.00 125.81 2h5m n LEU 4 Ca -0.18 -4.38 -0.38 0.00 -1.11 0.00 0.00 56.01 49.96 2h5m n LEU 4 Cb 0.60 -1.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 2h5m n LEU 4 CO 0.21 1.99 0.19 -1.61 -1.11 0.00 0.00 177.39 177.06 2h5m s GLU 5 N 0.50 4.22 -0.81 1.96 0.41 -1.26 -5.00 118.70 118.72 2h5m s GLU 5 Ca 0.63 0.52 -0.25 0.00 -0.41 0.00 0.00 54.97 55.46 2h5m s GLU 5 Cb 0.22 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.21 2h5m s GLU 5 CO -0.08 0.37 1.71 0.42 -0.49 0.00 0.00 175.26 177.19 2h5m s ILE 6 N -0.11 3.56 -0.05 -1.63 1.01 -1.26 -4.61 121.20 118.10 2h5m s ILE 6 Ca 0.27 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 2h5m s ILE 6 Cb -0.16 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2h5m s ILE 6 CO 0.13 -1.29 1.15 -0.54 0.00 0.00 0.00 174.94 174.39 2h5m s LYS 7 N 6.40 4.38 -0.27 2.79 -0.14 -0.41 -4.92 119.74 127.57 2h5m s LYS 7 Ca 0.58 1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 56.69 2h5m s LYS 7 Cb -0.07 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.50 2h5m s LYS 7 CO 0.07 -0.39 0.23 1.14 -0.76 0.00 0.00 175.35 175.64 2h5m s GLN 8 N 2.01 3.99 0.00 1.68 -2.07 -1.26 -1.05 119.66 122.96 2h5m s GLN 8 Ca 0.55 -0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 2h5m s GLN 8 Cb -0.24 -3.64 0.00 0.00 -1.09 0.00 0.00 33.01 28.04 2h5m s GLN 8 CO 0.22 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.44 2h5m n GLY 9 N 4.85 5.73 3.56 2.60 0.00 0.88 -4.99 105.19 117.81 2h5m n GLY 9 Ca -0.13 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 2h5m n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h5m s GLU 10 N 0.57 1.68 -1.52 1.61 -6.30 -1.26 -2.80 118.70 110.69 2h5m s GLU 10 Ca 0.00 0.64 -0.13 0.00 -2.50 0.00 0.00 54.97 52.98 2h5m s GLU 10 Cb 0.00 -4.75 0.09 0.00 0.00 0.00 0.00 34.13 29.47 2h5m s GLU 10 CO 0.00 -4.25 0.90 0.09 0.02 0.00 0.00 175.26 172.01 2h5m n ASN 11 N 18.20 -4.67 -3.59 -1.70 3.02 -1.26 -4.95 115.26 120.31 2h5m n ASN 11 Ca 0.45 -0.72 -0.13 0.00 -0.03 0.00 0.00 54.58 54.15 2h5m n ASN 11 Cb 0.45 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 2h5m n ASN 11 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2h5m s LYS 12 N -6.53 1.04 -0.09 3.52 -2.85 -1.12 -2.69 119.74 111.02 2h5m s LYS 12 Ca 0.63 -0.41 0.03 0.00 -1.00 0.00 0.00 55.97 55.22 2h5m s LYS 12 Cb -0.32 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2h5m s LYS 12 CO 0.77 -0.39 -0.20 -0.06 0.10 0.00 0.00 175.35 175.57 2h5m s PHE 13 N -2.95 2.22 0.02 1.78 0.08 -0.49 -0.09 117.98 118.56 2h5m s PHE 13 Ca -0.02 -0.89 -0.05 0.00 0.12 0.00 0.00 56.93 56.08 2h5m s PHE 13 Cb -0.00 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 2h5m s PHE 13 CO -0.06 -0.38 0.09 1.52 -0.10 0.00 0.00 175.22 176.29 2h5m s TYR 14 N 0.44 0.14 -0.11 0.36 1.13 -0.22 -0.71 117.35 118.38 2h5m s TYR 14 Ca -0.18 -0.32 -0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2h5m s TYR 14 Cb -0.17 -0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 2h5m s TYR 14 CO 0.07 -0.28 -0.07 0.42 -2.51 0.00 0.00 175.55 173.18 2h5m s ILE 15 N -1.70 0.98 -0.07 -3.49 1.01 0.97 -1.29 121.20 117.61 2h5m s ILE 15 Ca -0.13 -0.27 -0.32 0.00 0.00 0.00 0.00 60.65 59.94 2h5m s ILE 15 Cb -0.07 -1.00 0.13 0.00 0.01 0.00 0.00 42.46 41.53 2h5m s ILE 15 CO -0.01 0.36 1.38 -0.83 0.00 0.00 0.00 174.94 175.84 2h5m s GLY 16 N 1.66 -0.41 0.31 6.18 0.00 -1.26 -0.09 107.32 113.72 2h5m s GLY 16 Ca 0.04 0.71 0.14 0.00 0.00 0.00 0.00 44.72 45.61 2h5m s GLY 16 CO -0.07 1.46 1.65 -1.80 0.00 0.00 0.00 173.10 174.34 2h5m h ASP 17 N 2.00 0.00 -5.23 1.64 3.58 -1.89 -3.46 116.42 113.05 2h5m h ASP 17 Ca -0.30 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.06 2h5m h ASP 17 Cb 1.19 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.12 2h5m h ASP 17 CO 0.30 0.52 -0.24 -0.62 -2.88 0.00 0.00 179.24 176.31 2h5m s ASP 18 N -6.66 -0.02 0.48 2.28 2.15 -1.26 -4.88 116.67 108.76 2h5m s ASP 18 Ca -0.01 -0.81 0.17 0.00 0.43 0.00 0.00 52.55 52.33 2h5m s ASP 18 Cb 0.12 0.47 1.16 0.00 -0.30 0.00 0.00 42.92 44.37 2h5m s ASP 18 CO 0.73 -0.94 2.06 -0.08 -0.17 0.00 0.00 175.17 176.77 2h5m h GLU 19 N 2.46 0.00 -0.27 4.34 4.57 -2.01 0.03 114.58 123.70 2h5m h GLU 19 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2h5m h GLU 19 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2h5m h GLU 19 CO 0.45 0.11 0.00 -1.71 -1.18 0.00 0.00 179.01 176.69 2h5m n ASN 20 N -4.32 2.61 -2.39 1.04 5.15 -1.26 -4.13 115.26 111.97 2h5m n ASN 20 Ca -0.03 -1.87 -0.18 0.00 -0.60 0.00 0.00 54.58 51.91 2h5m n ASN 20 Cb 0.19 -0.17 0.02 0.00 -0.53 0.00 0.00 39.78 39.29 2h5m n ASN 20 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2h5m n ASN 21 N 0.95 3.74 -4.62 1.20 4.13 -0.01 -5.05 115.26 115.60 2h5m n ASN 21 Ca 0.18 -3.26 -0.43 0.00 1.68 0.00 0.00 54.58 52.75 2h5m n ASN 21 Cb 0.48 -0.42 -0.02 0.00 -1.54 0.00 0.00 39.78 38.27 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2h5m s ALA 22 N -3.57 3.23 -0.92 5.41 0.00 -1.16 -3.29 121.76 121.46 2h5m s ALA 22 Ca 0.42 0.32 0.27 0.00 0.00 0.00 0.00 51.96 52.97 2h5m s ALA 22 Cb 0.40 -3.86 0.85 0.00 0.00 0.00 0.00 23.12 20.51 2h5m s ALA 22 CO -0.04 -2.02 1.68 1.28 0.00 0.00 0.00 175.76 176.67 2h5m n LEU 23 N 8.48 0.35 -3.63 0.00 4.77 0.87 -4.70 117.00 123.15 2h5m n LEU 23 Ca 0.18 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.45 2h5m n LEU 23 Cb 0.46 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 2h5m n LEU 23 CO 0.65 0.01 0.46 0.00 -1.33 0.00 0.00 177.39 177.18 2h5m s ALA 24 N -3.03 -2.09 -0.11 -1.18 0.00 -0.87 0.70 121.76 115.18 2h5m s ALA 24 Ca 0.12 2.32 -0.10 0.00 0.00 0.00 0.00 51.96 54.30 2h5m s ALA 24 Cb 0.17 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.71 2h5m s ALA 24 CO 0.61 -0.48 0.29 -2.00 0.00 0.00 0.00 175.76 174.19 2h5m s GLU 25 N 1.76 0.33 -0.05 0.00 2.12 -0.40 -0.02 118.70 122.44 2h5m s GLU 25 Ca -0.09 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.68 2h5m s GLU 25 Cb -0.05 0.14 0.02 0.00 0.26 0.00 0.00 34.13 34.49 2h5m s GLU 25 CO -0.18 -0.05 -0.05 -1.50 -0.54 0.00 0.00 175.26 172.94 2h5m s ILE 26 N 0.29 0.57 -0.05 -3.70 2.07 0.11 -1.35 121.20 119.13 2h5m s ILE 26 Ca -0.01 -0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.15 2h5m s ILE 26 Cb -0.03 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2h5m s ILE 26 CO -0.01 0.24 -0.21 0.42 -1.91 0.00 0.00 174.94 173.46 2h5m s THR 27 N 0.97 2.42 0.20 4.00 -4.23 -0.22 -1.39 115.64 117.39 2h5m s THR 27 Ca -0.10 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2h5m s THR 27 Cb -0.14 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 2h5m s THR 27 CO -0.00 0.58 0.05 -0.72 -0.54 0.00 0.00 174.62 173.99 2h5m s TYR 28 N -0.43 1.29 0.03 3.99 -0.85 -1.09 -0.62 117.35 119.66 2h5m s TYR 28 Ca 0.05 -1.14 -0.27 0.00 -0.52 0.00 0.00 57.07 55.18 2h5m s TYR 28 Cb -0.12 -0.73 0.08 0.00 0.38 0.00 0.00 41.96 41.57 2h5m s TYR 28 CO 0.01 -0.33 0.69 0.50 -1.52 0.00 0.00 175.55 174.90 2h5m s ARG 29 N -4.00 1.10 -0.36 -3.49 3.52 -0.32 -4.74 118.95 110.66 2h5m s ARG 29 Ca 0.30 -0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.55 2h5m s ARG 29 Cb 0.07 0.51 0.01 0.00 -1.56 0.00 0.00 34.95 33.98 2h5m s ARG 29 CO 0.08 -0.42 0.92 -0.06 -0.81 0.00 0.00 175.30 175.01 2h5m s PHE 30 N -2.40 3.10 -0.07 5.12 0.40 -1.26 0.01 117.98 122.87 2h5m s PHE 30 Ca -0.04 0.80 0.14 0.00 -0.60 0.00 0.00 56.93 57.22 2h5m s PHE 30 Cb -0.01 -3.60 -0.21 0.00 0.51 0.00 0.00 43.02 39.71 2h5m s PHE 30 CO -0.02 -0.79 0.66 1.33 0.70 0.00 0.00 175.22 177.10 2h5m n VAL 31 N 5.92 1.51 0.00 -0.44 0.24 -0.74 -4.91 118.33 119.92 2h5m n VAL 31 Ca 0.07 -0.78 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2h5m n VAL 31 Cb 0.48 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 2h5m n VAL 31 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2h5m n ASP 32 N -3.00 0.00 0.00 -1.34 -0.08 -1.26 -5.07 116.55 105.81 2h5m n ASP 32 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2h5m n ASP 32 Cb 1.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.48 2h5m n ASP 32 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2h5m n ASN 33 N -0.87 0.00 -0.45 1.67 3.02 -1.26 -4.92 115.26 112.45 2h5m n ASN 33 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 2h5m n ASN 33 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2h5m n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h5m n ASN 34 N -2.49 1.95 -4.62 6.41 3.02 -1.26 -4.95 115.26 113.32 2h5m n ASN 34 Ca 0.00 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.65 2h5m n ASN 34 Cb 0.00 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2h5m s GLU 35 N -0.94 3.97 -0.23 3.52 8.01 -1.26 -0.40 118.70 131.37 2h5m s GLU 35 Ca 0.13 0.71 -0.06 0.00 0.01 0.00 0.00 54.97 55.76 2h5m s GLU 35 Cb 0.09 -3.74 -0.03 0.00 -4.31 0.00 0.00 34.13 26.15 2h5m s GLU 35 CO 0.14 -0.78 0.04 0.96 0.01 0.00 0.00 175.26 175.63 2h5m s ILE 36 N 3.22 4.12 -0.22 -1.63 -4.36 0.10 -1.78 121.20 120.65 2h5m s ILE 36 Ca 0.37 -0.24 -0.08 0.00 -0.26 0.00 0.00 60.65 60.43 2h5m s ILE 36 Cb -0.13 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2h5m s ILE 36 CO 0.14 0.38 0.09 0.21 0.24 0.00 0.00 174.94 176.00 2h5m s ASN 37 N 1.37 5.57 -0.17 4.36 2.47 0.10 -1.43 114.94 127.22 2h5m s ASN 37 Ca 0.05 -0.01 -0.23 0.00 0.42 0.00 0.00 52.86 53.09 2h5m s ASN 37 Cb -0.15 -1.98 -0.02 0.00 -1.45 0.00 0.00 41.25 37.65 2h5m s ASN 37 CO 0.02 0.08 0.73 -0.63 -3.72 0.00 0.00 177.10 173.58 2h5m s ILE 38 N 0.93 4.96 -0.23 -5.21 1.01 0.82 -1.18 121.20 122.30 2h5m s ILE 38 Ca 0.05 1.42 -0.15 0.00 0.00 0.00 0.00 60.65 61.97 2h5m s ILE 38 Cb -0.14 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 2h5m s ILE 38 CO 0.03 0.09 -0.34 -0.67 0.00 0.00 0.00 174.94 174.04 2h5m n ASP 39 N 5.00 1.89 -4.52 3.58 2.03 0.21 0.33 116.55 125.06 2h5m n ASP 39 Ca 0.01 0.32 -0.33 0.00 0.52 0.00 0.00 54.79 55.32 2h5m n ASP 39 Cb 0.49 -0.76 -0.12 0.00 -0.72 0.00 0.00 41.12 40.01 2h5m n ASP 39 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2h5m s HIS 40 N -2.62 2.79 -0.24 -0.67 2.46 -1.24 -3.64 115.29 112.13 2h5m s HIS 40 Ca -0.34 -0.09 -0.02 0.00 0.47 0.00 0.00 55.06 55.08 2h5m s HIS 40 Cb 0.11 -1.65 0.12 0.00 -0.13 0.00 0.00 32.58 31.03 2h5m s HIS 40 CO 0.45 0.25 0.32 0.99 -2.47 0.00 0.00 174.74 174.28 2h5m s THR 41 N -0.79 -0.49 0.03 0.89 2.01 -1.25 -1.05 115.64 114.99 2h5m s THR 41 Ca 0.12 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2h5m s THR 41 Cb -0.11 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2h5m s THR 41 CO 0.02 -0.21 -0.04 -0.83 -0.69 0.00 0.00 174.62 172.86 2h5m s GLY 42 N 2.45 0.35 -0.03 4.40 0.00 -0.46 -4.96 107.32 109.07 2h5m s GLY 42 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 2h5m s GLY 42 CO -0.18 -0.86 0.06 0.14 0.00 0.00 0.00 173.10 172.25 2h5m s VAL 43 N -2.09 -0.09 -0.10 1.40 1.01 -1.26 -1.28 120.40 117.99 2h5m s VAL 43 Ca -0.09 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 2h5m s VAL 43 Cb -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2h5m s VAL 43 CO -0.03 0.12 0.43 -0.44 0.00 0.00 0.00 175.10 175.18 2h5m s SER 44 N 1.53 6.67 0.00 3.32 0.01 0.22 -4.95 113.70 120.50 2h5m s SER 44 Ca -0.04 0.80 0.17 0.00 1.31 0.00 0.00 55.95 58.19 2h5m s SER 44 Cb -0.12 -2.26 0.76 0.00 0.21 0.00 0.00 66.02 64.60 2h5m s SER 44 CO -0.03 0.09 1.52 -0.90 0.41 0.00 0.00 173.24 174.32 2h5m n ASP 45 N 3.25 0.00 0.32 2.44 5.75 -1.26 -2.98 116.55 124.07 2h5m n ASP 45 Ca -0.09 0.34 0.21 0.00 -0.01 0.00 0.00 54.79 55.23 2h5m n ASP 45 Cb 0.52 -0.42 1.10 0.00 -1.03 0.00 0.00 41.12 41.29 2h5m n ASP 45 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2h5m h GLU 46 N 0.00 0.00 0.00 0.11 5.08 -1.93 0.04 114.58 117.89 2h5m h GLU 46 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2h5m h GLU 46 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2h5m h GLU 46 CO 0.00 0.01 -0.55 1.25 -1.00 0.00 0.00 179.01 178.72 2h5m h LEU 47 N 0.00 0.00 0.00 1.33 5.85 -1.89 -3.47 115.31 117.13 2h5m h LEU 47 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2h5m h LEU 47 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2h5m h LEU 47 CO 0.00 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.26 2h5m n GLY 48 N 0.69 2.76 3.78 3.75 0.00 -0.00 -5.01 105.19 111.16 2h5m n GLY 48 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2h5m n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h5m s GLY 49 N 0.00 2.78 0.35 -0.02 0.00 -1.26 -5.04 107.32 104.12 2h5m s GLY 49 Ca 0.00 0.54 0.08 0.00 0.00 0.00 0.00 44.72 45.35 2h5m s GLY 49 CO 0.00 0.98 0.08 1.20 0.00 0.00 0.00 173.10 175.36 2h5m s GLN 50 N -2.15 2.22 0.00 2.90 1.11 -1.26 -4.68 119.66 117.80 2h5m s GLN 50 Ca 0.52 -1.67 0.00 0.00 0.01 0.00 0.00 55.36 54.21 2h5m s GLN 50 Cb -0.19 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.77 2h5m s GLN 50 CO 0.24 0.10 0.00 0.41 0.01 0.00 0.00 175.29 176.05 2h5m n GLY 51 N -1.06 0.63 0.29 3.09 0.00 -1.26 -4.93 105.19 101.94 2h5m n GLY 51 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 2h5m n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2h5m h VAL 52 N 0.00 1.10 0.00 1.61 2.07 -1.98 -1.45 116.25 117.60 2h5m h VAL 52 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2h5m h VAL 52 Cb 0.00 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2h5m h VAL 52 CO 0.00 0.11 -0.03 1.23 0.02 0.00 0.00 177.57 178.90 2h5m h GLY 53 N 0.48 0.00 1.82 2.17 0.00 -1.91 -1.08 103.07 104.54 2h5m h GLY 53 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 2h5m h GLY 53 CO -0.01 0.00 -0.49 0.50 0.00 0.00 0.00 176.54 176.54 2h5m h LYS 54 N 0.00 0.20 -0.16 4.80 1.57 -1.67 0.12 116.57 121.43 2h5m h LYS 54 Ca -0.00 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 2h5m h LYS 54 Cb 0.06 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.38 2h5m h LYS 54 CO 0.00 0.64 -0.73 0.87 -0.57 0.00 0.00 179.45 179.66 2h5m h LYS 55 N 0.16 0.77 -0.18 3.15 1.57 -1.27 -1.11 116.57 119.66 2h5m h LYS 55 Ca 0.01 -0.62 -0.02 0.00 -1.87 0.00 0.00 60.65 58.15 2h5m h LYS 55 Cb 0.92 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2h5m h LYS 55 CO 0.07 1.23 0.03 -0.07 -0.57 0.00 0.00 179.45 180.15 2h5m h LEU 56 N 0.50 0.27 -1.02 2.94 3.38 -1.22 -2.26 115.31 117.90 2h5m h LEU 56 Ca -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2h5m h LEU 56 Cb 1.36 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2h5m h LEU 56 CO 0.15 0.45 0.35 0.25 0.09 0.00 0.00 178.44 179.74 2h5m h LEU 57 N 0.09 0.95 -0.74 1.67 5.85 -1.00 -2.23 115.31 119.89 2h5m h LEU 57 Ca 0.05 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2h5m h LEU 57 Cb 0.29 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2h5m h LEU 57 CO 0.00 0.80 0.46 0.50 -0.34 0.00 0.00 178.44 179.86 2h5m h LYS 58 N 1.04 0.85 -0.75 1.25 3.64 -0.96 0.28 116.57 121.92 2h5m h LYS 58 Ca 0.25 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2h5m h LYS 58 Cb 0.10 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2h5m h LYS 58 CO -0.03 0.56 0.28 0.00 -2.27 0.00 0.00 179.45 177.99 2h5m h ALA 59 N 1.33 1.09 -0.19 5.00 0.00 -0.85 0.16 119.26 125.81 2h5m h ALA 59 Ca 0.31 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2h5m h ALA 59 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2h5m h ALA 59 CO -0.14 0.64 -0.09 0.28 0.00 0.00 0.00 179.25 179.95 2h5m h VAL 60 N 1.09 1.31 -0.55 0.00 2.07 -0.77 -0.38 116.25 119.02 2h5m h VAL 60 Ca 0.25 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2h5m h VAL 60 Cb 0.23 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2h5m h VAL 60 CO -0.02 0.35 0.35 0.58 0.02 0.00 0.00 177.57 178.85 2h5m h VAL 61 N 0.09 1.11 -0.28 2.57 2.07 -0.22 0.22 116.25 121.82 2h5m h VAL 61 Ca 0.04 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2h5m h VAL 61 Cb 0.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2h5m h VAL 61 CO 0.03 0.13 0.01 -0.33 0.02 0.00 0.00 177.57 177.43 2h5m h GLU 62 N 0.71 0.48 -0.37 1.57 5.08 -0.64 -1.60 114.58 119.80 2h5m h GLU 62 Ca 0.21 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2h5m h GLU 62 Cb -0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2h5m h GLU 62 CO -0.06 0.63 -0.09 1.25 -1.00 0.00 0.00 179.01 179.73 2h5m h HIS 63 N 0.28 0.69 -0.49 4.33 2.76 -0.76 -2.19 115.15 119.77 2h5m h HIS 63 Ca 0.08 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 2h5m h HIS 63 Cb 0.40 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 2h5m h HIS 63 CO 0.03 0.71 0.08 0.00 -1.30 0.00 0.00 177.93 177.45 2h5m h ALA 64 N 1.31 0.66 -0.65 5.26 0.00 -0.42 -2.64 119.26 122.78 2h5m h ALA 64 Ca 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2h5m h ALA 64 Cb 0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2h5m h ALA 64 CO 0.03 0.39 0.30 -0.09 0.00 0.00 0.00 179.25 179.88 2h5m h ARG 65 N 0.69 0.93 -0.52 0.00 9.65 -0.97 0.34 114.38 124.51 2h5m h ARG 65 Ca 0.15 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2h5m h ARG 65 Cb 0.40 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2h5m h ARG 65 CO 0.01 0.73 0.16 0.93 2.80 0.00 0.00 179.97 184.60 2h5m h GLU 66 N 0.92 0.77 -0.35 0.20 5.08 -1.11 -2.79 114.58 117.31 2h5m h GLU 66 Ca 0.22 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2h5m h GLU 66 Cb 0.12 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2h5m h GLU 66 CO -0.03 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 2h5m n ASN 67 N -4.31 3.17 -3.25 1.42 3.02 -0.89 -4.96 115.26 109.46 2h5m n ASN 67 Ca 0.04 -1.91 -0.23 0.00 -0.03 0.00 0.00 54.58 52.44 2h5m n ASN 67 Cb 0.20 -0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 2h5m n ASN 67 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h5m n ASN 68 N 1.19 -6.25 -4.88 6.41 5.15 0.73 -4.98 115.26 112.63 2h5m n ASN 68 Ca 0.16 -0.39 -0.30 0.00 -0.60 0.00 0.00 54.58 53.45 2h5m n ASN 68 Cb 0.52 -4.98 -0.01 0.00 -0.53 0.00 0.00 39.78 34.78 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2h5m s LEU 69 N -6.92 3.53 -0.22 1.20 1.43 0.86 -4.98 118.68 113.57 2h5m s LEU 69 Ca 0.43 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.68 2h5m s LEU 69 Cb -0.19 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2h5m s LEU 69 CO 0.53 -0.65 0.08 -0.54 0.23 0.00 0.00 176.35 176.00 2h5m s LYS 70 N -4.64 3.85 -0.21 1.70 3.01 0.47 -4.68 119.74 119.24 2h5m s LYS 70 Ca 0.52 -0.39 -0.14 0.00 -1.01 0.00 0.00 55.97 54.95 2h5m s LYS 70 Cb -0.10 -3.30 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 2h5m s LYS 70 CO 0.44 0.05 0.30 0.42 0.51 0.00 0.00 175.35 177.06 2h5m s ILE 71 N 0.99 5.27 0.07 2.17 1.01 0.79 0.02 121.20 131.52 2h5m s ILE 71 Ca 0.04 0.49 0.03 0.00 0.00 0.00 0.00 60.65 61.21 2h5m s ILE 71 Cb -0.14 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 2h5m s ILE 71 CO 0.03 0.31 -0.08 0.27 0.00 0.00 0.00 174.94 175.46 2h5m s ILE 72 N 1.09 0.68 0.00 2.92 -4.36 -0.51 -3.64 121.20 117.39 2h5m s ILE 72 Ca 0.14 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 2h5m s ILE 72 Cb -0.14 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.57 2h5m s ILE 72 CO 0.06 -0.50 -0.01 0.00 0.24 0.00 0.00 174.94 174.73 2h5m s ALA 73 N -2.03 0.06 -0.10 2.27 0.00 -1.26 -0.12 121.76 120.57 2h5m s ALA 73 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 51.95 2h5m s ALA 73 Cb -0.06 0.01 -0.24 0.00 0.00 0.00 0.00 23.12 22.83 2h5m s ALA 73 CO -0.01 -0.01 0.44 0.43 0.00 0.00 0.00 175.76 176.61 2h5m n SER 74 N 2.90 0.96 -4.71 0.00 7.64 0.15 -4.68 113.62 115.88 2h5m n SER 74 Ca -0.13 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 2h5m n SER 74 Cb 0.59 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2h5m n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h5m h SER 76 N 6.94 0.54 0.54 0.00 0.02 -1.91 -1.28 113.55 118.39 2h5m h SER 76 Ca -0.42 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 2h5m h SER 76 Cb 1.21 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.64 2h5m h SER 76 CO 0.89 0.34 -0.26 0.15 -1.14 0.00 0.00 176.83 176.80 2h5m h PHE 77 N 0.60 -0.68 -0.79 3.45 3.57 -1.94 -1.73 116.94 119.43 2h5m h PHE 77 Ca 0.30 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.82 2h5m h PHE 77 Cb 0.37 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2h5m h PHE 77 CO -0.00 -0.42 0.50 0.00 -2.23 0.00 0.00 178.31 176.15 2h5m h ALA 78 N -1.48 1.06 -0.91 2.41 0.00 -1.90 -0.97 119.26 117.46 2h5m h ALA 78 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2h5m h ALA 78 Cb 0.56 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2h5m h ALA 78 CO 0.12 0.27 0.55 -0.22 0.00 0.00 0.00 179.25 179.97 2h5m h LYS 79 N 0.94 1.24 0.00 0.00 3.11 -1.30 -1.57 116.57 119.00 2h5m h LYS 79 Ca 0.33 -0.11 -0.10 0.00 -2.81 0.00 0.00 60.65 57.96 2h5m h LYS 79 Cb 0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.03 2h5m h LYS 79 CO -0.14 0.86 -0.49 1.25 -2.81 0.00 0.00 179.45 178.13 2h5m h HIS 80 N 1.26 0.00 -0.19 1.91 2.76 -0.38 -2.04 115.15 118.47 2h5m h HIS 80 Ca 0.33 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.35 2h5m h HIS 80 Cb -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2h5m h HIS 80 CO 0.01 0.49 -0.50 0.52 -1.30 0.00 0.00 177.93 177.15 2h5m h MET 81 N 0.00 0.52 -0.11 5.26 2.86 -0.29 -1.23 114.93 121.93 2h5m h MET 81 Ca -0.00 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.24 2h5m h MET 81 Cb 0.87 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2h5m h MET 81 CO 0.06 0.90 -0.29 -0.07 1.06 0.00 0.00 176.91 178.57 2h5m h LEU 82 N 0.41 0.45 -0.97 1.22 3.38 -1.07 -3.15 115.31 115.58 2h5m h LEU 82 Ca 0.02 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2h5m h LEU 82 Cb 1.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2h5m h LEU 82 CO 0.09 0.96 0.00 1.05 0.09 0.00 0.00 178.44 180.63 2h5m h GLU 83 N -0.03 0.00 0.00 1.13 4.11 -1.39 -2.63 114.58 115.77 2h5m h GLU 83 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2h5m h GLU 83 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2h5m h GLU 83 CO 0.06 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.31 2h5m n LYS 84 N -3.02 0.07 -4.04 1.06 4.81 -0.47 -4.48 118.16 112.10 2h5m n LYS 84 Ca 0.02 0.17 -0.32 0.00 -0.87 0.00 0.00 58.31 57.31 2h5m n LYS 84 Cb 0.37 -1.60 -0.15 0.00 0.02 0.00 0.00 35.03 33.67 2h5m n LYS 84 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2h5m s GLU 85 N -3.06 1.93 0.48 1.64 2.56 -0.99 -4.96 118.70 116.29 2h5m s GLU 85 Ca 0.10 -1.48 0.21 0.00 0.00 0.00 0.00 54.97 53.80 2h5m s GLU 85 Cb 0.14 -2.95 1.21 0.00 2.00 0.00 0.00 34.13 34.52 2h5m s GLU 85 CO 0.44 -0.70 2.01 0.22 -0.56 0.00 0.00 175.26 176.68 2h5m h ASP 86 N 7.74 0.00 0.03 -1.70 1.82 -1.81 -1.34 116.42 121.16 2h5m h ASP 86 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2h5m h ASP 86 Cb 1.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.05 2h5m h ASP 86 CO 0.48 0.17 0.00 -1.20 -1.61 0.00 0.00 179.24 177.08 2h5m n SER 87 N -3.92 0.00 -0.75 2.28 7.64 -1.26 -2.92 113.62 114.69 2h5m n SER 87 Ca -0.02 -0.92 0.11 0.00 1.01 0.00 0.00 58.87 59.05 2h5m n SER 87 Cb 0.26 -0.01 0.31 0.00 -1.01 0.00 0.00 64.21 63.76 2h5m n SER 87 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2h5m n TYR 88 N -1.01 0.31 1.07 1.43 4.02 -0.50 -4.13 117.16 118.34 2h5m n TYR 88 Ca 0.23 -0.15 0.08 0.00 -0.01 0.00 0.00 57.90 58.04 2h5m n TYR 88 Cb 0.11 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 39.89 2h5m n TYR 88 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2h5m n GLN 89 N 0.70 0.54 0.15 -0.72 6.02 -1.15 -0.15 117.38 122.77 2h5m n GLN 89 Ca 0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 2h5m n GLN 89 Cb 0.42 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 30.28 2h5m n GLN 89 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2h5m h ASP 90 N 0.00 0.00 0.00 1.08 2.03 -1.87 -3.39 116.42 114.27 2h5m h ASP 90 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2h5m h ASP 90 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2h5m h ASP 90 CO 0.00 0.27 -0.77 1.33 -1.03 0.00 0.00 179.24 179.04 2h5m n VAL 91 N -3.05 0.00 -3.20 4.15 0.24 -0.88 -5.02 118.33 110.57 2h5m n VAL 91 Ca 0.01 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.92 2h5m n VAL 91 Cb 0.65 -0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 32.26 2h5m n VAL 91 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2h5m s TYR 92 N -1.77 3.76 -1.13 6.34 5.04 0.79 -0.15 117.35 130.24 2h5m s TYR 92 Ca 0.00 1.29 -0.16 0.00 -2.44 0.00 0.00 57.07 55.76 2h5m s TYR 92 Cb 0.00 -2.59 -0.06 0.00 0.35 0.00 0.00 41.96 39.66 2h5m s TYR 92 CO 0.00 0.47 2.16 1.28 -1.34 0.00 0.00 175.55 178.12 2h5m n LEU 93 N 2.19 5.69 -0.01 6.97 4.77 -1.24 -4.33 117.00 131.05 2h5m n LEU 93 Ca -0.08 -3.50 0.09 0.00 -0.03 0.00 0.00 56.01 52.49 2h5m n LEU 93 Cb 0.51 -1.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.10 2h5m n LEU 93 CO 0.43 0.54 -0.57 0.61 -1.33 0.00 0.00 177.39 177.08 2h5m n GLY 94 N 4.18 -0.85 3.41 -0.72 0.00 -1.26 -4.72 105.19 105.23 2h5m n GLY 94 Ca 0.53 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2h5m n GLY 94 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2h5m n LEU 95 N -1.99 5.37 -0.08 0.99 -0.00 -1.26 -4.70 117.00 115.31 2h5m n LEU 95 Ca -0.02 -4.64 -0.09 0.00 -0.00 0.00 0.00 56.01 51.26 2h5m n LEU 95 Cb 0.45 -1.57 -0.03 0.00 -0.00 0.00 0.00 43.42 42.27 2h5m n LEU 95 CO 0.40 0.94 -0.56 -1.84 -0.00 0.00 0.00 177.39 176.33 2h5m n GLU 96 N 4.68 0.50 0.00 1.47 -0.00 -1.26 -5.05 120.64 120.98 2h5m n GLU 96 Ca 0.33 0.38 0.00 0.00 -0.00 0.00 0.00 57.16 57.87 2h5m n GLU 96 Cb 0.41 -1.57 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 2h5m n GLU 96 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2h5m n HIS 97 N -4.52 0.00 0.02 -1.84 1.44 -1.26 -5.01 115.22 104.05 2h5m n HIS 97 Ca -0.14 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.35 2h5m n HIS 97 Cb 0.43 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.40 2h5m n HIS 97 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2h5m h HIS 98 N 0.00 0.53 -2.90 -1.40 2.07 -1.93 -3.50 115.15 108.02 2h5m h HIS 98 Ca 0.00 -0.39 0.29 0.00 -2.85 0.00 0.00 60.37 57.43 2h5m h HIS 98 Cb 0.00 -0.02 -0.07 0.00 2.57 0.00 0.00 27.41 29.89 2h5m h HIS 98 CO 0.00 1.72 -0.39 0.72 -3.07 0.00 0.00 177.93 176.91 2h5m n HIS 99 N -3.61 -3.23 0.00 6.12 8.25 -1.26 -4.76 115.22 116.73 2h5m n HIS 99 Ca -0.29 1.35 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 2h5m n HIS 99 Cb 1.02 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.71 2h5m n HIS 99 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2h5m n HIS 100 N -3.66 0.00 0.00 4.41 -0.00 -1.26 -3.71 115.22 111.00 2h5m n HIS 100 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2h5m n HIS 100 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 2h5m n HIS 100 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2h5m n HIS 101 N 0.00 -0.33 -0.46 1.57 -0.00 -1.26 -5.23 115.22 109.51 2h5m n HIS 101 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2h5m n HIS 101 Cb 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 2h5m n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38