#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 0.51 -3.60 3.17 3.41 -1.26 -4.99 113.62 110.87 2h5m n SER 2 Ca 0.00 0.20 -0.09 0.00 -0.26 0.00 0.00 58.87 58.72 2h5m n SER 2 Cb 0.00 -0.06 -0.06 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 -5.42 -0.36 -1.43 4.04 3.84 -1.26 -5.06 114.94 109.29 2h5m s ASN 3 Ca 0.00 0.49 -0.13 0.00 0.21 0.00 0.00 52.86 53.43 2h5m s ASN 3 Cb 0.00 0.43 0.06 0.00 -0.55 0.00 0.00 41.25 41.19 2h5m s ASN 3 CO 0.00 -0.27 2.17 0.18 -2.79 0.00 0.00 177.10 176.39 2h5m n LEU 4 N 1.13 6.81 -4.60 3.21 4.32 -1.26 -4.66 117.00 121.95 2h5m n LEU 4 Ca -0.10 -4.22 -0.33 0.00 -0.02 0.00 0.00 56.01 51.34 2h5m n LEU 4 Cb 0.57 -1.63 -0.11 0.00 -1.62 0.00 0.00 43.42 40.64 2h5m n LEU 4 CO 0.12 1.14 -0.37 -1.61 -1.22 0.00 0.00 177.39 175.44 2h5m s GLU 5 N 2.75 2.66 -0.77 3.23 0.41 -1.26 -5.05 118.70 120.66 2h5m s GLU 5 Ca 0.46 -0.64 -0.26 0.00 -0.41 0.00 0.00 54.97 54.13 2h5m s GLU 5 Cb 0.13 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 2h5m s GLU 5 CO -0.07 0.63 1.63 0.42 -0.49 0.00 0.00 175.26 177.38 2h5m s ILE 6 N -0.93 3.58 -0.19 -1.63 1.01 -1.26 -4.59 121.20 117.19 2h5m s ILE 6 Ca 0.15 -0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.62 2h5m s ILE 6 Cb -0.11 -4.45 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 2h5m s ILE 6 CO 0.05 -1.39 0.51 -0.75 0.00 0.00 0.00 174.94 173.36 2h5m s LYS 7 N 6.28 4.21 0.14 2.79 2.36 -0.99 -4.97 119.74 129.57 2h5m s LYS 7 Ca 0.54 0.41 -0.12 0.00 -2.55 0.00 0.00 55.97 54.25 2h5m s LYS 7 Cb -0.08 -3.54 -0.07 0.00 -1.05 0.00 0.00 37.83 33.09 2h5m s LYS 7 CO 0.10 -0.10 0.50 1.14 1.55 0.00 0.00 175.35 178.54 2h5m s GLN 8 N 1.46 3.86 0.00 4.03 -2.07 -1.26 -0.88 119.66 124.81 2h5m s GLN 8 Ca 0.24 0.33 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 2h5m s GLN 8 Cb -0.15 -2.89 0.00 0.00 -1.09 0.00 0.00 33.01 28.87 2h5m s GLN 8 CO 0.10 0.47 0.00 0.41 -1.32 0.00 0.00 175.29 174.95 2h5m n GLY 9 N 0.62 5.44 3.56 2.60 0.00 0.12 -4.94 105.19 112.58 2h5m n GLY 9 Ca -0.05 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.42 2.06 -1.45 1.61 -6.30 -1.26 -2.77 118.70 110.18 2h5m s GLU 10 Ca 0.00 0.53 -0.10 0.00 -2.50 0.00 0.00 54.97 52.90 2h5m s GLU 10 Cb 0.00 -4.75 0.05 0.00 0.00 0.00 0.00 34.13 29.43 2h5m s GLU 10 CO 0.00 -3.72 0.94 0.09 0.02 0.00 0.00 175.26 172.59 2h5m n ASN 11 N 16.22 -4.05 -3.81 -1.70 3.02 -1.26 -4.92 115.26 118.76 2h5m n ASN 11 Ca 0.40 -0.76 -0.08 0.00 -0.03 0.00 0.00 54.58 54.11 2h5m n ASN 11 Cb 0.48 -4.10 -0.03 0.00 -0.61 0.00 0.00 39.78 35.52 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 -6.40 1.64 -0.01 3.52 -2.85 -1.11 -2.51 119.74 112.01 2h5m s LYS 12 Ca 0.48 -0.95 0.02 0.00 -1.00 0.00 0.00 55.97 54.52 2h5m s LYS 12 Cb -0.24 0.57 -0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2h5m s LYS 12 CO 0.81 -0.73 -0.07 -0.06 0.10 0.00 0.00 175.35 175.40 2h5m s PHE 13 N -3.91 0.68 -0.03 1.78 0.08 -0.34 0.10 117.98 116.34 2h5m s PHE 13 Ca 0.11 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.83 2h5m s PHE 13 Cb -0.04 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 42.00 2h5m s PHE 13 CO 0.04 -0.02 0.43 1.52 -0.10 0.00 0.00 175.22 177.09 2h5m s TYR 14 N -0.12 -0.35 -0.03 0.36 1.13 -0.05 -0.86 117.35 117.43 2h5m s TYR 14 Ca 0.02 0.58 0.01 0.00 -1.41 0.00 0.00 57.07 56.27 2h5m s TYR 14 Cb -0.03 0.20 0.01 0.00 -1.10 0.00 0.00 41.96 41.04 2h5m s TYR 14 CO -0.00 -0.45 -0.04 0.42 -2.51 0.00 0.00 175.55 172.96 2h5m s ILE 15 N -1.22 0.47 -1.16 -3.49 1.01 0.09 -2.34 121.20 114.56 2h5m s ILE 15 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2h5m s ILE 15 Cb -0.03 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2h5m s ILE 15 CO 0.06 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2h5m n GLY 16 N 3.71 -0.76 0.07 6.18 0.00 -1.26 -0.95 105.19 112.18 2h5m n GLY 16 Ca -0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 2h5m n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2h5m n ASP 17 N 0.00 0.12 -3.64 1.61 2.03 0.10 -4.30 116.55 112.46 2h5m n ASP 17 Ca 0.00 0.05 -0.05 0.00 0.52 0.00 0.00 54.79 55.31 2h5m n ASP 17 Cb 0.00 1.24 -0.01 0.00 -0.72 0.00 0.00 41.12 41.63 2h5m n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2h5m s ASP 18 N -5.19 -0.16 0.26 1.67 2.15 -1.21 -4.82 116.67 109.37 2h5m s ASP 18 Ca -0.08 -0.60 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 2h5m s ASP 18 Cb 0.09 0.61 0.50 0.00 -0.30 0.00 0.00 42.92 43.82 2h5m s ASP 18 CO 0.86 -1.16 1.78 -0.08 -0.17 0.00 0.00 175.17 176.39 2h5m h GLU 19 N 2.00 0.66 0.00 4.34 4.57 -2.00 -0.98 114.58 123.17 2h5m h GLU 19 Ca -0.24 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.77 2h5m h GLU 19 Cb 1.24 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2h5m h GLU 19 CO 0.28 0.43 -1.05 -0.97 -1.18 0.00 0.00 179.01 176.52 2h5m h ASN 20 N 0.68 0.00 -0.88 1.04 -1.24 -2.03 -3.32 115.58 109.83 2h5m h ASN 20 Ca 0.45 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.94 2h5m h ASN 20 Cb 0.57 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 39.41 2h5m h ASN 20 CO -0.33 0.51 0.64 0.59 -1.29 0.00 0.00 177.43 177.56 2h5m n ASN 21 N -3.00 7.03 -4.57 1.15 3.02 -0.44 -4.91 115.26 113.54 2h5m n ASN 21 Ca -0.05 -3.42 -0.43 0.00 -0.03 0.00 0.00 54.58 50.66 2h5m n ASN 21 Cb 0.78 -1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 2h5m n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h5m s ALA 22 N -2.75 3.13 0.18 5.41 0.00 -0.81 -0.72 121.76 126.20 2h5m s ALA 22 Ca 0.49 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 2h5m s ALA 22 Cb 0.38 -3.85 0.07 0.00 0.00 0.00 0.00 23.12 19.72 2h5m s ALA 22 CO -0.07 -2.34 1.65 -0.07 0.00 0.00 0.00 175.76 174.93 2h5m h LEU 23 N 11.23 1.04 -7.71 0.00 3.38 -1.36 -3.41 115.31 118.46 2h5m h LEU 23 Ca -0.24 -0.29 -0.51 0.00 0.09 0.00 0.00 57.88 56.93 2h5m h LEU 23 Cb 1.06 -0.28 -0.37 0.00 0.09 0.00 0.00 40.66 41.17 2h5m h LEU 23 CO 1.11 1.07 -0.80 0.00 0.09 0.00 0.00 178.44 179.91 2h5m s ALA 24 N -5.10 1.22 -0.05 1.53 0.00 -0.60 -0.51 121.76 118.24 2h5m s ALA 24 Ca -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2h5m s ALA 24 Cb 0.14 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2h5m s ALA 24 CO 0.85 -0.34 -0.05 -2.00 0.00 0.00 0.00 175.76 174.22 2h5m s GLU 25 N 1.58 0.98 -0.14 0.00 -6.30 0.78 -0.73 118.70 114.88 2h5m s GLU 25 Ca 0.02 -0.14 -0.00 0.00 -2.50 0.00 0.00 54.97 52.34 2h5m s GLU 25 Cb -0.13 -0.97 0.03 0.00 0.00 0.00 0.00 34.13 33.06 2h5m s GLU 25 CO -0.06 -0.09 -0.07 -1.50 0.02 0.00 0.00 175.26 173.56 2h5m s ILE 26 N 1.00 1.07 -0.06 -3.70 2.07 -0.04 -0.65 121.20 120.89 2h5m s ILE 26 Ca -0.10 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 58.71 2h5m s ILE 26 Cb -0.14 -1.16 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 2h5m s ILE 26 CO -0.00 0.25 -0.10 0.42 -1.91 0.00 0.00 174.94 173.61 2h5m s THR 27 N 1.67 3.47 0.25 4.00 -4.23 -0.41 -1.20 115.64 119.19 2h5m s THR 27 Ca 0.03 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 2h5m s THR 27 Cb -0.14 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 2h5m s THR 27 CO -0.08 0.60 0.21 -0.72 -0.54 0.00 0.00 174.62 174.08 2h5m s TYR 28 N -0.77 1.36 0.06 3.99 -0.85 -1.05 -0.82 117.35 119.28 2h5m s TYR 28 Ca 0.12 -1.47 -0.25 0.00 -0.52 0.00 0.00 57.07 54.95 2h5m s TYR 28 Cb -0.11 -0.58 0.07 0.00 0.38 0.00 0.00 41.96 41.71 2h5m s TYR 28 CO 0.01 -0.75 0.60 0.50 -1.52 0.00 0.00 175.55 174.39 2h5m s ARG 29 N -3.85 1.15 -0.34 -3.49 6.06 -0.16 -4.69 118.95 113.62 2h5m s ARG 29 Ca 0.39 -0.18 -0.27 0.00 -2.50 0.00 0.00 55.73 53.17 2h5m s ARG 29 Cb 0.05 0.53 0.01 0.00 0.06 0.00 0.00 34.95 35.60 2h5m s ARG 29 CO 0.18 -0.44 0.98 -0.06 -2.50 0.00 0.00 175.30 173.46 2h5m s PHE 30 N -2.60 3.12 -0.01 5.12 0.40 -1.26 -0.15 117.98 122.60 2h5m s PHE 30 Ca -0.04 0.95 -0.18 0.00 -0.60 0.00 0.00 56.93 57.06 2h5m s PHE 30 Cb -0.01 -3.64 -0.34 0.00 0.51 0.00 0.00 43.02 39.55 2h5m s PHE 30 CO -0.03 -0.78 0.93 -0.39 0.70 0.00 0.00 175.22 175.65 2h5m h VAL 31 N 5.77 1.33 0.00 -0.44 -1.51 -1.78 -3.47 116.25 116.15 2h5m h VAL 31 Ca -0.22 -2.62 0.00 0.00 -1.23 0.00 0.00 66.70 62.63 2h5m h VAL 31 Cb 1.07 3.08 0.00 0.00 -2.13 0.00 0.00 31.29 33.31 2h5m h VAL 31 CO 1.00 0.78 0.00 -0.67 -1.23 0.00 0.00 177.57 177.44 2h5m n ASP 32 N -3.86 0.00 0.09 4.19 2.03 -1.26 -5.08 116.55 112.66 2h5m n ASP 32 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2h5m n ASP 32 Cb 1.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 2h5m n ASP 32 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2h5m n ASN 33 N -0.30 0.45 -0.40 1.67 3.02 -1.26 -4.90 115.26 113.53 2h5m n ASN 33 Ca 0.00 0.30 0.04 0.00 -0.03 0.00 0.00 54.58 54.89 2h5m n ASN 33 Cb 0.00 0.03 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 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 -3.45 2.09 -4.66 6.41 3.02 -1.26 -4.96 115.26 112.45 2h5m n ASN 34 Ca 0.00 -1.60 -0.37 0.00 -0.03 0.00 0.00 54.58 52.58 2h5m n ASN 34 Cb 0.02 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 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 -0.82 4.07 -0.22 3.52 8.01 -1.26 -0.03 118.70 131.96 2h5m s GLU 35 Ca 0.13 -0.25 -0.06 0.00 0.01 0.00 0.00 54.97 54.81 2h5m s GLU 35 Cb 0.08 -3.54 -0.02 0.00 -4.31 0.00 0.00 34.13 26.33 2h5m s GLU 35 CO 0.11 0.05 0.02 0.96 0.01 0.00 0.00 175.26 176.41 2h5m s ILE 36 N 1.10 3.94 -0.22 -1.63 -4.36 0.58 -2.02 121.20 118.58 2h5m s ILE 36 Ca 0.08 -0.30 -0.07 0.00 -0.26 0.00 0.00 60.65 60.10 2h5m s ILE 36 Cb -0.14 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 2h5m s ILE 36 CO 0.05 0.39 0.06 0.21 0.24 0.00 0.00 174.94 175.89 2h5m s ASN 37 N 1.36 5.25 -0.20 4.36 2.47 0.79 -1.10 114.94 127.88 2h5m s ASN 37 Ca 0.05 -0.11 -0.28 0.00 0.42 0.00 0.00 52.86 52.93 2h5m s ASN 37 Cb -0.15 -1.92 0.00 0.00 -1.45 0.00 0.00 41.25 37.73 2h5m s ASN 37 CO 0.01 0.05 0.99 -0.63 -3.72 0.00 0.00 177.10 173.80 2h5m s ILE 38 N 1.09 4.74 -0.21 -5.21 1.01 0.92 -0.99 121.20 122.55 2h5m s ILE 38 Ca 0.04 1.94 -0.20 0.00 0.00 0.00 0.00 60.65 62.43 2h5m s ILE 38 Cb -0.14 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.87 2h5m s ILE 38 CO 0.03 -0.10 0.15 -0.67 0.00 0.00 0.00 174.94 174.35 2h5m n ASP 39 N 5.86 1.88 -4.16 3.58 2.03 -0.00 -0.24 116.55 125.49 2h5m n ASP 39 Ca 0.10 0.41 -0.20 0.00 0.52 0.00 0.00 54.79 55.61 2h5m n ASP 39 Cb 0.47 -0.95 -0.13 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.39 1.28 -0.26 -0.67 2.46 -1.21 -3.84 115.29 110.66 2h5m s HIS 40 Ca -0.30 -0.38 -0.02 0.00 0.47 0.00 0.00 55.06 54.83 2h5m s HIS 40 Cb 0.07 -0.75 0.11 0.00 -0.13 0.00 0.00 32.58 31.89 2h5m s HIS 40 CO 0.58 0.05 0.23 0.99 -2.47 0.00 0.00 174.74 174.13 2h5m s THR 41 N -0.96 -0.29 -0.17 0.89 2.01 -1.26 -1.29 115.64 114.57 2h5m s THR 41 Ca 0.01 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2h5m s THR 41 Cb -0.08 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.54 2h5m s THR 41 CO 0.02 -0.46 -0.18 -0.83 -0.69 0.00 0.00 174.62 172.48 2h5m s GLY 42 N 2.28 1.42 0.01 4.40 0.00 0.18 -4.95 107.32 110.66 2h5m s GLY 42 Ca 0.08 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.69 2h5m s GLY 42 CO -0.28 0.18 -0.15 0.14 0.00 0.00 0.00 173.10 173.00 2h5m s VAL 43 N 1.12 1.16 -0.94 1.40 1.01 -1.26 -0.15 120.40 122.74 2h5m s VAL 43 Ca 0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2h5m s VAL 43 Cb -0.14 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2h5m s VAL 43 CO -0.07 0.22 1.48 -0.44 0.00 0.00 0.00 175.10 176.28 2h5m s SER 44 N -0.63 6.26 0.11 3.32 0.01 0.33 -4.79 113.70 118.30 2h5m s SER 44 Ca 0.04 -1.11 -0.08 0.00 1.31 0.00 0.00 55.95 56.12 2h5m s SER 44 Cb -0.06 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 2h5m s SER 44 CO 0.00 -1.73 1.28 -2.24 0.41 0.00 0.00 173.24 170.96 2h5m h ASP 45 N 10.16 0.70 1.02 2.44 2.03 -1.93 -1.43 116.42 129.41 2h5m h ASP 45 Ca 0.07 -0.54 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2h5m h ASP 45 Cb 1.02 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 2h5m h ASP 45 CO 1.37 1.34 0.00 -0.33 -1.03 0.00 0.00 179.24 180.59 2h5m h GLU 46 N 0.32 0.00 0.00 4.15 4.39 -2.02 -3.28 114.58 118.15 2h5m h GLU 46 Ca -0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2h5m h GLU 46 Cb 1.58 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2h5m h GLU 46 CO 0.17 0.00 -0.62 -0.11 -1.16 0.00 0.00 179.01 177.29 2h5m n LEU 47 N -2.93 1.82 0.00 1.33 0.00 -1.18 -5.05 117.00 110.99 2h5m n LEU 47 Ca 0.01 0.61 0.00 0.00 0.00 0.00 0.00 56.01 56.63 2h5m n LEU 47 Cb 0.30 -0.88 0.00 0.00 0.00 0.00 0.00 43.42 42.84 2h5m n LEU 47 CO 0.26 -0.37 0.00 0.61 0.00 0.00 0.00 177.39 177.89 2h5m n GLY 48 N 1.59 -0.33 1.41 -3.96 0.00 -0.61 -5.06 105.19 98.23 2h5m n GLY 48 Ca -0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2h5m n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h5m n GLY 49 N 0.00 5.62 0.34 -0.02 0.00 -0.77 -4.79 105.19 105.57 2h5m n GLY 49 Ca 0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 2h5m n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2h5m h GLN 50 N 1.52 -0.78 -0.01 1.61 7.50 -1.93 -0.42 115.11 122.60 2h5m h GLN 50 Ca 0.24 0.05 -0.13 0.00 0.50 0.00 0.00 58.65 59.32 2h5m h GLN 50 Cb 1.36 0.18 -0.02 0.00 0.05 0.00 0.00 27.48 29.05 2h5m h GLN 50 CO 0.51 -0.48 -0.61 0.78 -1.50 0.00 0.00 178.83 177.52 2h5m h GLY 51 N -0.93 0.04 0.94 3.46 0.00 -2.00 -3.04 103.07 101.53 2h5m h GLY 51 Ca -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2h5m h GLY 51 CO 0.14 0.04 0.15 -2.08 0.00 0.00 0.00 176.54 174.79 2h5m h VAL 52 N 0.02 1.15 -0.50 4.60 2.07 -1.86 -0.23 116.25 121.52 2h5m h VAL 52 Ca -0.01 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2h5m h VAL 52 Cb 1.08 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2h5m h VAL 52 CO 0.08 0.16 0.21 1.23 0.02 0.00 0.00 177.57 179.27 2h5m h GLY 53 N 0.37 0.79 1.63 2.17 0.00 -1.05 -0.57 103.07 106.42 2h5m h GLY 53 Ca 0.11 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2h5m h GLY 53 CO -0.01 0.40 -0.21 0.50 0.00 0.00 0.00 176.54 177.22 2h5m h LYS 54 N 0.66 0.43 -0.30 4.80 1.57 -1.41 -1.62 116.57 120.71 2h5m h LYS 54 Ca 0.17 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2h5m h LYS 54 Cb 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2h5m h LYS 54 CO -0.01 0.62 -0.49 0.87 -0.57 0.00 0.00 179.45 179.86 2h5m h LYS 55 N 0.39 0.84 -0.54 3.15 6.56 -0.70 -0.46 116.57 125.81 2h5m h LYS 55 Ca 0.06 -0.50 -0.05 0.00 -1.06 0.00 0.00 60.65 59.11 2h5m h LYS 55 Cb 0.59 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 2h5m h LYS 55 CO 0.04 1.13 0.15 -0.07 -2.06 0.00 0.00 179.45 178.64 2h5m h LEU 56 N 0.66 0.81 -1.07 2.94 3.38 -0.84 -1.02 115.31 120.17 2h5m h LEU 56 Ca 0.03 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2h5m h LEU 56 Cb 1.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2h5m h LEU 56 CO 0.11 0.82 -0.08 0.25 0.09 0.00 0.00 178.44 179.63 2h5m h LEU 57 N 0.76 0.55 -0.72 1.67 5.85 -1.23 -2.45 115.31 119.75 2h5m h LEU 57 Ca 0.17 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2h5m h LEU 57 Cb 0.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2h5m h LEU 57 CO -0.00 0.68 0.33 0.50 -0.34 0.00 0.00 178.44 179.61 2h5m h LYS 58 N 0.54 1.04 -0.88 1.25 3.64 -0.47 -1.10 116.57 120.60 2h5m h LYS 58 Ca 0.10 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2h5m h LYS 58 Cb 0.46 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2h5m h LYS 58 CO 0.02 0.83 0.58 0.00 -2.27 0.00 0.00 179.45 178.61 2h5m h ALA 59 N 1.16 1.12 -0.42 5.00 0.00 -0.74 0.23 119.26 125.62 2h5m h ALA 59 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2h5m h ALA 59 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2h5m h ALA 59 CO -0.03 0.48 0.05 0.28 0.00 0.00 0.00 179.25 180.04 2h5m h VAL 60 N 1.16 1.25 -0.13 0.00 2.07 -1.15 -0.26 116.25 119.19 2h5m h VAL 60 Ca 0.33 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2h5m h VAL 60 Cb -0.09 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2h5m h VAL 60 CO -0.08 0.31 0.06 0.58 0.02 0.00 0.00 177.57 178.46 2h5m h VAL 61 N 0.55 1.14 -0.48 2.57 2.07 -0.56 0.15 116.25 121.68 2h5m h VAL 61 Ca 0.12 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2h5m h VAL 61 Cb 0.40 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2h5m h VAL 61 CO 0.01 0.12 0.24 -0.08 0.02 0.00 0.00 177.57 177.89 2h5m h GLU 62 N 0.07 0.69 -0.13 1.57 4.57 -0.51 -2.28 114.58 118.56 2h5m h GLU 62 Ca 0.04 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 2h5m h GLU 62 Cb 0.15 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2h5m h GLU 62 CO -0.00 0.57 -0.28 1.25 -1.18 0.00 0.00 179.01 179.36 2h5m h HIS 63 N 0.63 0.26 -0.28 0.92 2.76 -0.90 -2.77 115.15 115.76 2h5m h HIS 63 Ca 0.17 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2h5m h HIS 63 Cb 0.10 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2h5m h HIS 63 CO -0.01 0.50 0.14 0.00 -1.30 0.00 0.00 177.93 177.26 2h5m h ALA 64 N 1.51 0.37 -0.24 5.26 0.00 -0.22 -2.33 119.26 123.60 2h5m h ALA 64 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2h5m h ALA 64 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2h5m h ALA 64 CO 0.04 -0.08 0.10 -0.09 0.00 0.00 0.00 179.25 179.23 2h5m h ARG 65 N 0.33 0.33 -0.08 0.00 9.65 -1.19 0.44 114.38 123.85 2h5m h ARG 65 Ca 0.10 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2h5m h ARG 65 Cb 0.11 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2h5m h ARG 65 CO -0.01 0.27 -0.03 0.93 2.80 0.00 0.00 179.97 183.93 2h5m h GLU 66 N 0.33 -0.02 -0.64 0.20 5.08 -1.15 -2.84 114.58 115.54 2h5m h GLU 66 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2h5m h GLU 66 Cb 0.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2h5m h GLU 66 CO -0.01 -0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 2h5m n ASN 67 N -5.15 4.67 -3.77 1.42 3.02 -0.99 -4.94 115.26 109.52 2h5m n ASN 67 Ca -0.05 -2.42 -0.26 0.00 -0.03 0.00 0.00 54.58 51.82 2h5m n ASN 67 Cb 0.08 -0.57 0.04 0.00 -0.61 0.00 0.00 39.78 38.73 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 1.11 -4.10 -4.90 6.41 5.15 0.33 -4.97 115.26 114.30 2h5m n ASN 68 Ca 0.25 -0.73 -0.29 0.00 -0.60 0.00 0.00 54.58 53.22 2h5m n ASN 68 Cb 0.87 -4.24 -0.03 0.00 -0.53 0.00 0.00 39.78 35.85 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 -7.09 3.97 -0.12 1.20 1.43 0.13 -4.96 118.68 113.24 2h5m s LEU 69 Ca 0.45 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2h5m s LEU 69 Cb -0.22 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 2h5m s LEU 69 CO 0.80 -0.27 -0.06 -0.54 0.23 0.00 0.00 176.35 176.51 2h5m s LYS 70 N -3.72 3.27 -0.12 1.70 3.01 0.95 -4.57 119.74 120.26 2h5m s LYS 70 Ca 0.46 -0.54 -0.07 0.00 -1.01 0.00 0.00 55.97 54.81 2h5m s LYS 70 Cb -0.11 -2.76 -0.04 0.00 -1.01 0.00 0.00 37.83 33.92 2h5m s LYS 70 CO 0.31 0.42 0.12 0.42 0.51 0.00 0.00 175.35 177.13 2h5m s ILE 71 N -0.14 5.36 0.05 2.17 1.01 0.04 -0.31 121.20 129.38 2h5m s ILE 71 Ca 0.02 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 2h5m s ILE 71 Cb -0.13 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 2h5m s ILE 71 CO 0.03 0.61 0.11 0.27 0.00 0.00 0.00 174.94 175.95 2h5m s ILE 72 N -0.93 0.15 -0.08 2.92 -4.36 -0.26 -2.23 121.20 116.41 2h5m s ILE 72 Ca 0.14 -1.23 -0.07 0.00 -0.26 0.00 0.00 60.65 59.23 2h5m s ILE 72 Cb -0.12 -1.13 0.02 0.00 1.25 0.00 0.00 42.46 42.48 2h5m s ILE 72 CO 0.03 -0.68 0.21 0.00 0.24 0.00 0.00 174.94 174.74 2h5m s ALA 73 N -3.20 -0.50 -0.04 2.27 0.00 -1.26 -0.05 121.76 118.98 2h5m s ALA 73 Ca -0.00 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 52.55 2h5m s ALA 73 Cb 0.02 -0.34 -0.26 0.00 0.00 0.00 0.00 23.12 22.54 2h5m s ALA 73 CO -0.07 -0.10 0.70 0.77 0.00 0.00 0.00 175.76 177.06 2h5m h SER 74 N 5.87 0.30 -2.85 0.00 0.02 -0.90 -3.43 113.55 112.57 2h5m h SER 74 Ca -0.26 -0.51 -0.54 0.00 -0.84 0.00 0.00 61.79 59.64 2h5m h SER 74 Cb 1.19 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2h5m h SER 74 CO 0.38 1.44 0.88 0.00 -1.14 0.00 0.00 176.83 178.39 2h5m h SER 76 N 8.07 0.81 0.50 0.00 0.02 -1.94 0.41 113.55 121.43 2h5m h SER 76 Ca -0.38 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2h5m h SER 76 Cb 1.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2h5m h SER 76 CO 0.91 0.45 -0.24 0.15 -1.14 0.00 0.00 176.83 176.96 2h5m h PHE 77 N 0.88 -0.63 -0.82 3.45 3.57 -1.95 0.15 116.94 121.59 2h5m h PHE 77 Ca 0.45 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 2h5m h PHE 77 Cb 0.50 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2h5m h PHE 77 CO -0.00 -0.36 0.40 0.00 -2.23 0.00 0.00 178.31 176.12 2h5m h ALA 78 N -0.27 1.06 -0.46 2.41 0.00 -1.84 0.22 119.26 120.39 2h5m h ALA 78 Ca -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2h5m h ALA 78 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2h5m h ALA 78 CO 0.11 0.62 0.27 -0.22 0.00 0.00 0.00 179.25 180.03 2h5m h LYS 79 N 1.16 0.63 0.00 0.00 3.11 -0.81 -1.90 116.57 118.76 2h5m h LYS 79 Ca 0.28 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 58.00 2h5m h LYS 79 Cb 0.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2h5m h LYS 79 CO -0.04 0.47 -0.27 1.25 -2.81 0.00 0.00 179.45 178.05 2h5m h HIS 80 N 0.61 0.00 0.19 1.91 2.76 -0.31 -2.09 115.15 118.22 2h5m h HIS 80 Ca 0.16 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2h5m h HIS 80 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2h5m h HIS 80 CO -0.03 0.27 -0.09 0.52 -1.30 0.00 0.00 177.93 177.30 2h5m h MET 81 N 0.00 -0.25 0.00 5.26 2.86 0.19 0.14 114.93 123.13 2h5m h MET 81 Ca -0.00 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2h5m h MET 81 Cb 0.88 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2h5m h MET 81 CO 0.04 0.07 -0.35 -0.07 1.06 0.00 0.00 176.91 177.66 2h5m h LEU 82 N -0.57 0.00 -0.32 1.22 3.38 -1.40 0.21 115.31 117.83 2h5m h LEU 82 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2h5m h LEU 82 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2h5m h LEU 82 CO 0.04 0.35 -0.63 -0.08 0.09 0.00 0.00 178.44 178.20 2h5m h GLU 83 N 0.00 0.73 0.14 1.13 4.81 -1.25 -3.31 114.58 116.84 2h5m h GLU 83 Ca -0.00 -0.51 -0.19 0.00 -0.13 0.00 0.00 59.36 58.52 2h5m h GLU 83 Cb 0.77 0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.25 2h5m h GLU 83 CO 0.04 1.14 -0.85 -0.22 -0.73 0.00 0.00 179.01 178.39 2h5m h LYS 84 N 0.54 0.29 -6.19 1.92 3.11 -0.49 -3.43 116.57 112.32 2h5m h LYS 84 Ca -0.01 -0.50 -0.52 0.00 -2.81 0.00 0.00 60.65 56.80 2h5m h LYS 84 Cb 1.23 0.19 -0.05 0.00 -1.00 0.00 0.00 32.23 32.59 2h5m h LYS 84 CO 0.13 1.24 1.21 -2.00 -2.81 0.00 0.00 179.45 177.22 2h5m s GLU 85 N -2.43 2.96 0.52 1.90 2.56 0.04 -4.83 118.70 119.43 2h5m s GLU 85 Ca -0.14 0.36 0.23 0.00 0.00 0.00 0.00 54.97 55.43 2h5m s GLU 85 Cb 0.01 -4.26 1.43 0.00 2.00 0.00 0.00 34.13 33.30 2h5m s GLU 85 CO 0.82 -2.36 2.12 0.22 -0.56 0.00 0.00 175.26 175.50 2h5m h ASP 86 N 12.61 0.00 0.61 -1.70 3.58 -1.83 -1.33 116.42 128.36 2h5m h ASP 86 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2h5m h ASP 86 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2h5m h ASP 86 CO 1.22 0.09 0.00 0.28 -2.88 0.00 0.00 179.24 177.94 2h5m h SER 87 N 0.00 0.00 -0.12 2.28 0.02 -1.91 -2.15 113.55 111.67 2h5m h SER 87 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2h5m h SER 87 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2h5m h SER 87 CO 0.01 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.48 2h5m n TYR 88 N -2.45 0.15 1.84 3.45 4.01 -0.51 -4.49 117.16 119.16 2h5m n TYR 88 Ca 0.01 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2h5m n TYR 88 Cb 0.20 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2h5m n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2h5m n GLN 89 N 0.77 1.00 0.04 -0.72 1.13 -0.81 -2.61 117.38 116.17 2h5m n GLN 89 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2h5m n GLN 89 Cb 0.38 -1.08 -0.08 0.00 0.11 0.00 0.00 30.24 29.57 2h5m n GLN 89 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2h5m h ASP 90 N 0.00 0.00 0.00 1.08 2.03 -1.79 -3.38 116.42 114.37 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 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2h5m h ASP 90 CO 0.00 0.57 0.00 1.33 -1.03 0.00 0.00 179.24 180.11 2h5m n VAL 91 N -2.91 0.00 -3.31 4.15 0.24 -1.20 -5.02 118.33 110.29 2h5m n VAL 91 Ca -0.09 -0.43 -0.38 0.00 -2.04 0.00 0.00 64.34 61.40 2h5m n VAL 91 Cb 0.83 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 34.21 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 -0.38 3.61 -0.14 6.34 5.04 -1.07 -0.78 117.35 129.96 2h5m s TYR 92 Ca 0.00 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.61 2h5m s TYR 92 Cb 0.00 -2.52 -0.06 0.00 0.35 0.00 0.00 41.96 39.73 2h5m s TYR 92 CO 0.00 0.32 2.80 1.28 -1.34 0.00 0.00 175.55 178.60 2h5m n LEU 93 N 3.02 5.70 0.11 6.97 4.77 -0.95 -4.21 117.00 132.41 2h5m n LEU 93 Ca -0.08 -3.17 0.09 0.00 -0.03 0.00 0.00 56.01 52.81 2h5m n LEU 93 Cb 0.52 -1.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.37 2h5m n LEU 93 CO 0.42 1.46 0.12 1.23 -1.33 0.00 0.00 177.39 179.29 2h5m h GLY 94 N 3.90 0.00 -7.31 -0.72 0.00 -1.91 -3.40 103.07 93.62 2h5m h GLY 94 Ca 0.20 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.83 2h5m h GLY 94 CO 0.38 0.00 2.30 1.47 0.00 0.00 0.00 176.54 180.69 2h5m n LEU 95 N -2.81 5.54 -0.08 3.11 -0.00 -1.26 -4.65 117.00 116.85 2h5m n LEU 95 Ca -0.01 -4.09 -0.10 0.00 -0.00 0.00 0.00 56.01 51.80 2h5m n LEU 95 Cb 0.61 -1.69 -0.05 0.00 -0.00 0.00 0.00 43.42 42.28 2h5m n LEU 95 CO 0.40 0.54 -0.37 1.05 -0.00 0.00 0.00 177.39 179.01 2h5m h GLU 96 N 7.02 0.00 0.00 1.47 -0.00 -1.97 -3.50 114.58 117.61 2h5m h GLU 96 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.82 2h5m h GLU 96 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.55 2h5m h GLU 96 CO 1.54 0.36 0.00 -2.39 -0.00 0.00 0.00 179.01 178.53 2h5m n HIS 97 N -4.56 0.00 0.03 2.06 1.44 -1.26 -5.00 115.22 107.93 2h5m n HIS 97 Ca -0.15 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.34 2h5m n HIS 97 Cb 0.40 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.36 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 0.56 -2.40 -1.40 2.07 -1.93 -3.50 115.15 108.55 2h5m h HIS 98 Ca 0.00 -0.41 0.23 0.00 -2.85 0.00 0.00 60.37 57.34 2h5m h HIS 98 Cb 0.00 -0.02 -0.06 0.00 2.57 0.00 0.00 27.41 29.90 2h5m h HIS 98 CO 0.00 1.62 -0.30 0.72 -3.07 0.00 0.00 177.93 176.89 2h5m n HIS 99 N -3.77 -2.91 0.00 6.12 -0.00 -1.26 -4.75 115.22 108.65 2h5m n HIS 99 Ca -0.25 1.05 0.00 0.00 -0.00 0.00 0.00 57.72 58.52 2h5m n HIS 99 Cb 0.98 -1.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.10 2h5m n HIS 99 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2h5m n HIS 100 N -3.05 0.00 0.05 4.41 -0.00 -1.26 -4.05 115.22 111.33 2h5m n HIS 100 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2h5m n HIS 100 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 2h5m n HIS 100 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2h5m n HIS 101 N 0.00 -2.38 0.47 1.57 -0.00 -1.26 -4.99 115.22 108.63 2h5m n HIS 101 Ca 0.00 0.36 0.06 0.00 0.46 0.00 0.00 57.72 58.60 2h5m n HIS 101 Cb 0.00 1.16 0.05 0.00 -0.12 0.00 0.00 29.99 31.08 2h5m n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38