#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5m s SER 2 N 0.00 5.47 0.00 7.83 0.01 -1.26 -4.87 113.70 120.88 2h5m s SER 2 Ca 0.00 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.81 2h5m s SER 2 Cb 0.00 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 2h5m s SER 2 CO 0.00 -2.55 0.00 -3.20 0.41 0.00 0.00 173.24 167.90 2h5m n ASN 3 N 12.85 1.31 -3.38 2.44 2.85 -1.26 -4.84 115.26 125.24 2h5m n ASN 3 Ca 0.43 -1.00 -0.24 0.00 -0.11 0.00 0.00 54.58 53.66 2h5m n ASN 3 Cb 0.47 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.54 2h5m n ASN 3 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2h5m n LEU 4 N 0.00 -2.86 -4.94 1.20 4.32 -1.26 -4.98 117.00 108.49 2h5m n LEU 4 Ca -0.00 -0.45 -0.25 0.00 -0.02 0.00 0.00 56.01 55.29 2h5m n LEU 4 Cb 0.00 -2.89 0.05 0.00 -1.62 0.00 0.00 43.42 38.97 2h5m n LEU 4 CO 0.00 0.42 0.53 -1.61 -1.22 0.00 0.00 177.39 175.51 2h5m s GLU 5 N -6.08 2.42 -0.77 3.23 2.02 -1.26 -4.98 118.70 113.28 2h5m s GLU 5 Ca 0.47 -0.35 -0.26 0.00 0.02 0.00 0.00 54.97 54.85 2h5m s GLU 5 Cb -0.21 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.76 2h5m s GLU 5 CO 0.58 -1.00 1.46 0.42 0.02 0.00 0.00 175.26 176.74 2h5m s ILE 6 N -3.07 3.67 -0.15 -1.63 1.01 -1.26 -4.62 121.20 115.14 2h5m s ILE 6 Ca 0.58 0.13 -0.28 0.00 0.00 0.00 0.00 60.65 61.08 2h5m s ILE 6 Cb -0.11 -4.70 -0.01 0.00 0.01 0.00 0.00 42.46 37.66 2h5m s ILE 6 CO 0.43 -1.64 0.96 -0.54 0.00 0.00 0.00 174.94 174.15 2h5m s LYS 7 N 5.94 4.35 0.33 2.79 1.02 -0.77 -4.92 119.74 128.49 2h5m s LYS 7 Ca 0.45 1.27 -0.27 0.00 0.02 0.00 0.00 55.97 57.44 2h5m s LYS 7 Cb -0.07 -3.57 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 2h5m s LYS 7 CO 0.11 -0.38 1.09 1.14 -0.92 0.00 0.00 175.35 176.39 2h5m s GLN 8 N 2.27 4.41 0.00 1.68 -2.07 -1.26 -1.24 119.66 123.45 2h5m s GLN 8 Ca 0.44 1.70 0.00 0.00 -1.82 0.00 0.00 55.36 55.69 2h5m s GLN 8 Cb -0.17 -2.91 0.00 0.00 -1.09 0.00 0.00 33.01 28.84 2h5m s GLN 8 CO 0.14 0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.55 2h5m n GLY 9 N 0.84 4.25 3.57 2.60 0.00 0.47 -4.89 105.19 112.02 2h5m n GLY 9 Ca 0.02 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 2h5m n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h5m s GLU 10 N -1.55 1.48 -1.50 1.61 -1.05 -1.26 -2.80 118.70 113.64 2h5m s GLU 10 Ca 0.00 0.24 -0.13 0.00 -0.15 0.00 0.00 54.97 54.93 2h5m s GLU 10 Cb 0.00 -4.84 0.07 0.00 -0.44 0.00 0.00 34.13 28.92 2h5m s GLU 10 CO 0.00 -4.74 0.97 -1.71 0.95 0.00 0.00 175.26 170.73 2h5m n ASN 11 N 18.96 -5.06 -3.75 0.83 5.15 -1.26 -4.94 115.26 125.19 2h5m n ASN 11 Ca 0.45 -0.70 -0.08 0.00 -0.60 0.00 0.00 54.58 53.65 2h5m n ASN 11 Cb 0.44 -4.04 -0.03 0.00 -0.53 0.00 0.00 39.78 35.63 2h5m n ASN 11 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 2h5m s LYS 12 N -6.51 1.78 -0.07 1.20 -2.85 -1.12 -2.91 119.74 109.26 2h5m s LYS 12 Ca 0.63 -1.18 0.01 0.00 -1.00 0.00 0.00 55.97 54.43 2h5m s LYS 12 Cb -0.31 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.04 2h5m s LYS 12 CO 0.77 -0.79 -0.09 -0.06 0.10 0.00 0.00 175.35 175.28 2h5m s PHE 13 N -3.69 1.28 0.03 1.78 0.08 -0.05 -0.40 117.98 117.02 2h5m s PHE 13 Ca 0.16 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2h5m s PHE 13 Cb -0.04 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2h5m s PHE 13 CO 0.09 -0.30 -0.07 1.52 -0.10 0.00 0.00 175.22 176.36 2h5m s TYR 14 N 0.95 0.60 -0.13 0.36 1.13 -0.37 -0.17 117.35 119.71 2h5m s TYR 14 Ca -0.10 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 2h5m s TYR 14 Cb -0.15 -0.37 0.02 0.00 -1.10 0.00 0.00 41.96 40.36 2h5m s TYR 14 CO 0.00 -0.06 -0.13 0.42 -2.51 0.00 0.00 175.55 173.27 2h5m s ILE 15 N -0.97 1.47 -5.00 -3.49 1.01 -0.22 -1.84 121.20 112.16 2h5m s ILE 15 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2h5m s ILE 15 Cb -0.07 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 41.01 2h5m s ILE 15 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2h5m n GLY 16 N 4.68 -2.85 0.07 6.18 0.00 -1.26 -0.82 105.19 111.19 2h5m n GLY 16 Ca -0.17 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 2h5m n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2h5m h ASP 17 N 0.00 0.06 -4.49 1.61 3.58 -1.96 -3.47 116.42 111.75 2h5m h ASP 17 Ca 0.00 -0.64 -0.29 0.00 0.42 0.00 0.00 57.03 56.52 2h5m h ASP 17 Cb 0.00 -0.02 -0.15 0.00 1.72 0.00 0.00 39.33 40.89 2h5m h ASP 17 CO 0.00 0.69 -0.66 -0.62 -2.88 0.00 0.00 179.24 175.77 2h5m s ASP 18 N -5.93 1.23 0.46 2.28 2.15 -1.24 -5.02 116.67 110.59 2h5m s ASP 18 Ca -0.16 -1.17 0.25 0.00 0.43 0.00 0.00 52.55 51.89 2h5m s ASP 18 Cb 0.01 0.11 1.01 0.00 -0.30 0.00 0.00 42.92 43.75 2h5m s ASP 18 CO 0.69 -0.56 1.87 -0.33 -0.17 0.00 0.00 175.17 176.67 2h5m h GLU 19 N 2.70 0.00 0.00 4.34 5.08 -1.98 -0.76 114.58 123.96 2h5m h GLU 19 Ca -0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2h5m h GLU 19 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2h5m h GLU 19 CO 0.63 0.21 -1.09 -0.97 -1.00 0.00 0.00 179.01 176.78 2h5m h ASN 20 N 0.00 0.00 -1.63 1.42 -0.73 -2.01 -3.35 115.58 109.28 2h5m h ASN 20 Ca -0.00 0.00 -0.58 0.00 1.87 0.00 0.00 56.30 57.59 2h5m h ASN 20 Cb 0.68 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 38.85 2h5m h ASN 20 CO 0.03 0.33 -0.74 0.59 -0.37 0.00 0.00 177.43 177.27 2h5m n ASN 21 N -2.86 4.53 -4.87 1.15 3.02 -0.96 -5.06 115.26 110.21 2h5m n ASN 21 Ca -0.04 -3.67 -0.33 0.00 -0.03 0.00 0.00 54.58 50.50 2h5m n ASN 21 Cb 0.71 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 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 -3.51 3.65 0.11 5.41 0.00 -0.33 -3.61 121.76 123.48 2h5m s ALA 22 Ca 0.47 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 2h5m s ALA 22 Cb 0.38 -2.36 -0.13 0.00 0.00 0.00 0.00 23.12 21.02 2h5m s ALA 22 CO -0.17 0.54 1.29 -0.07 0.00 0.00 0.00 175.76 177.35 2h5m h LEU 23 N 3.03 0.75 -7.00 0.00 3.38 -1.28 -3.43 115.31 110.76 2h5m h LEU 23 Ca -0.47 -0.56 0.12 0.00 0.09 0.00 0.00 57.88 57.06 2h5m h LEU 23 Cb 1.18 -0.23 -0.27 0.00 0.09 0.00 0.00 40.66 41.44 2h5m h LEU 23 CO 0.69 1.35 0.65 0.00 0.09 0.00 0.00 178.44 181.22 2h5m s ALA 24 N -3.45 -2.03 -0.03 1.53 0.00 -1.12 -0.08 121.76 116.59 2h5m s ALA 24 Ca -0.08 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 2h5m s ALA 24 Cb 0.08 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.94 2h5m s ALA 24 CO 0.89 -0.24 0.08 -1.83 0.00 0.00 0.00 175.76 174.66 2h5m s GLU 25 N -0.49 0.13 -0.04 0.00 -1.05 0.42 -1.06 118.70 116.61 2h5m s GLU 25 Ca 0.03 0.05 0.06 0.00 -0.15 0.00 0.00 54.97 54.97 2h5m s GLU 25 Cb -0.03 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.71 2h5m s GLU 25 CO -0.06 -0.02 -0.24 -1.50 0.95 0.00 0.00 175.26 174.40 2h5m s ILE 26 N -0.10 1.91 0.06 1.83 2.07 0.76 -1.59 121.20 126.14 2h5m s ILE 26 Ca -0.02 -1.00 0.10 0.00 -1.41 0.00 0.00 60.65 58.32 2h5m s ILE 26 Cb -0.01 -1.61 -0.03 0.00 0.13 0.00 0.00 42.46 40.93 2h5m s ILE 26 CO 0.00 0.54 -0.26 0.42 -1.91 0.00 0.00 174.94 173.73 2h5m s THR 27 N -0.24 2.21 0.03 4.00 -4.23 -0.58 -0.87 115.64 115.96 2h5m s THR 27 Ca -0.00 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2h5m s THR 27 Cb -0.12 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2h5m s THR 27 CO 0.02 0.30 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.67 2h5m s TYR 28 N -0.87 0.33 0.10 3.99 1.13 -1.14 -0.63 117.35 120.25 2h5m s TYR 28 Ca 0.12 -0.68 0.02 0.00 -1.41 0.00 0.00 57.07 55.12 2h5m s TYR 28 Cb -0.10 -0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 2h5m s TYR 28 CO 0.03 -0.27 -0.07 0.50 -2.51 0.00 0.00 175.55 173.23 2h5m s ARG 29 N -2.35 0.83 -0.42 -3.49 6.06 0.57 -4.79 118.95 115.36 2h5m s ARG 29 Ca -0.08 -1.29 -0.17 0.00 -2.50 0.00 0.00 55.73 51.69 2h5m s ARG 29 Cb -0.03 -0.27 0.02 0.00 0.06 0.00 0.00 34.95 34.73 2h5m s ARG 29 CO -0.04 0.00 0.44 -0.06 -2.50 0.00 0.00 175.30 173.14 2h5m s PHE 30 N -3.36 3.17 -0.20 5.12 0.40 -1.26 -0.54 117.98 121.30 2h5m s PHE 30 Ca 0.10 -0.36 0.19 0.00 -0.60 0.00 0.00 56.93 56.26 2h5m s PHE 30 Cb 0.03 -2.90 0.28 0.00 0.51 0.00 0.00 43.02 40.94 2h5m s PHE 30 CO -0.04 -0.70 1.55 -0.39 0.70 0.00 0.00 175.22 176.34 2h5m h VAL 31 N 5.73 0.54 0.00 -0.44 -1.51 -1.84 -3.45 116.25 115.28 2h5m h VAL 31 Ca -0.26 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.53 2h5m h VAL 31 Cb 1.11 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 32.47 2h5m h VAL 31 CO 0.80 0.30 0.00 -0.67 -1.23 0.00 0.00 177.57 176.76 2h5m n ASP 32 N -3.20 0.00 0.10 4.19 2.03 -1.25 -5.06 116.55 113.35 2h5m n ASP 32 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2h5m n ASP 32 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 2h5m n ASP 32 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2h5m n ASN 33 N -0.13 -1.28 -1.37 1.67 2.85 -1.26 -4.90 115.26 110.85 2h5m n ASN 33 Ca 0.00 0.37 0.10 0.00 -0.11 0.00 0.00 54.58 54.94 2h5m n ASN 33 Cb 0.00 1.38 0.32 0.00 1.24 0.00 0.00 39.78 42.72 2h5m n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h5m n ASN 34 N -2.98 4.23 -4.08 1.20 5.15 -1.26 -4.87 115.26 112.65 2h5m n ASN 34 Ca 0.00 -2.25 -0.31 0.00 -0.60 0.00 0.00 54.58 51.42 2h5m n ASN 34 Cb 0.00 -0.51 -0.16 0.00 -0.53 0.00 0.00 39.78 38.58 2h5m n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2h5m s GLU 35 N -1.47 2.63 -0.10 1.20 2.02 -1.26 -0.46 118.70 121.26 2h5m s GLU 35 Ca 0.47 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.79 2h5m s GLU 35 Cb 0.28 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2h5m s GLU 35 CO 0.26 -0.19 -0.19 0.96 0.02 0.00 0.00 175.26 176.13 2h5m s ILE 36 N 1.29 2.54 -0.06 -1.63 -4.36 -0.75 -2.28 121.20 115.95 2h5m s ILE 36 Ca 0.03 -0.86 0.01 0.00 -0.26 0.00 0.00 60.65 59.57 2h5m s ILE 36 Cb -0.13 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 2h5m s ILE 36 CO -0.10 0.55 -0.08 0.54 0.24 0.00 0.00 174.94 176.09 2h5m s ASN 37 N 0.21 4.54 -0.37 4.36 4.22 0.30 -2.12 114.94 126.08 2h5m s ASN 37 Ca -0.12 -0.05 -0.29 0.00 -2.14 0.00 0.00 52.86 50.26 2h5m s ASN 37 Cb -0.16 -1.11 0.02 0.00 1.28 0.00 0.00 41.25 41.28 2h5m s ASN 37 CO 0.06 0.36 1.08 -0.63 -2.04 0.00 0.00 177.10 175.93 2h5m s ILE 38 N -0.80 4.43 0.00 0.54 1.09 -0.57 -0.32 121.20 125.57 2h5m s ILE 38 Ca 0.12 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.21 2h5m s ILE 38 Cb -0.11 -4.47 0.00 0.00 -1.06 0.00 0.00 42.46 36.83 2h5m s ILE 38 CO 0.01 -0.64 0.46 0.47 -0.10 0.00 0.00 174.94 175.14 2h5m n ASP 39 N 7.15 0.00 -4.10 3.58 8.00 0.20 -3.00 116.55 128.38 2h5m n ASP 39 Ca 0.12 0.58 -0.10 0.00 0.71 0.00 0.00 54.79 56.10 2h5m n ASP 39 Cb 0.48 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 2h5m n ASP 39 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2h5m s HIS 40 N -1.49 0.65 -0.32 1.24 -3.43 -1.25 -4.01 115.29 106.68 2h5m s HIS 40 Ca 0.00 -0.83 -0.02 0.00 -0.80 0.00 0.00 55.06 53.41 2h5m s HIS 40 Cb 0.00 -0.41 0.11 0.00 -1.43 0.00 0.00 32.58 30.85 2h5m s HIS 40 CO 0.00 -0.21 0.15 0.99 -2.00 0.00 0.00 174.74 173.67 2h5m s THR 41 N -3.00 0.33 -0.26 -5.38 2.01 -1.26 -1.53 115.64 106.55 2h5m s THR 41 Ca 0.03 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 60.57 2h5m s THR 41 Cb 0.01 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2h5m s THR 41 CO -0.05 -0.79 0.54 -0.83 -0.69 0.00 0.00 174.62 172.80 2h5m s GLY 42 N 1.61 1.83 -0.02 4.40 0.00 -0.62 -4.94 107.32 109.58 2h5m s GLY 42 Ca 0.12 -0.57 0.04 0.00 0.00 0.00 0.00 44.72 44.30 2h5m s GLY 42 CO -0.23 1.29 -0.14 0.14 0.00 0.00 0.00 173.10 174.16 2h5m s VAL 43 N 2.36 1.12 0.39 1.40 1.01 -1.26 -0.44 120.40 124.98 2h5m s VAL 43 Ca 0.22 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2h5m s VAL 43 Cb -0.16 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 2h5m s VAL 43 CO 0.09 0.33 0.79 -0.44 0.00 0.00 0.00 175.10 175.87 2h5m s SER 44 N -0.13 6.64 0.17 3.32 0.01 0.89 -4.93 113.70 119.66 2h5m s SER 44 Ca 0.01 1.26 0.10 0.00 1.31 0.00 0.00 55.95 58.63 2h5m s SER 44 Cb -0.08 -2.37 -0.11 0.00 0.21 0.00 0.00 66.02 63.67 2h5m s SER 44 CO 0.00 -0.35 1.34 -0.78 0.41 0.00 0.00 173.24 173.86 2h5m h ASP 45 N 1.59 0.00 -0.61 2.44 3.58 -1.97 -2.86 116.42 118.59 2h5m h ASP 45 Ca -0.47 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.60 2h5m h ASP 45 Cb 1.18 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 2h5m h ASP 45 CO 0.64 0.84 1.13 -1.61 -2.88 0.00 0.00 179.24 177.36 2h5m s GLU 46 N -2.81 2.74 -1.45 0.28 8.01 -1.26 -3.83 118.70 120.37 2h5m s GLU 46 Ca 0.02 -1.02 -0.10 0.00 0.01 0.00 0.00 54.97 53.88 2h5m s GLU 46 Cb 0.09 -5.23 0.04 0.00 -4.31 0.00 0.00 34.13 24.71 2h5m s GLU 46 CO 0.80 -3.53 0.95 1.28 0.01 0.00 0.00 175.26 174.76 2h5m n LEU 47 N 13.31 -2.86 -0.09 1.80 4.77 -1.26 -4.91 117.00 127.76 2h5m n LEU 47 Ca 0.43 -0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 2h5m n LEU 47 Cb 0.47 -2.82 -0.05 0.00 -2.33 0.00 0.00 43.42 38.69 2h5m n LEU 47 CO 0.66 0.47 -0.86 0.61 -1.33 0.00 0.00 177.39 176.95 2h5m n GLY 48 N -1.75 -0.46 0.11 -0.72 0.00 -1.09 -4.53 105.19 96.74 2h5m n GLY 48 Ca -0.01 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 1.60 -1.37 0.28 -0.02 0.00 -1.16 -1.04 105.19 103.48 2h5m n GLY 49 Ca -0.25 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.52 0.00 1.61 7.50 -1.89 -3.40 115.11 118.40 2h5m h GLN 50 Ca 0.00 0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.19 2h5m h GLN 50 Cb 0.46 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.11 2h5m h GLN 50 CO 0.00 -0.35 -0.12 0.41 -1.50 0.00 0.00 178.83 177.27 2h5m n GLY 51 N -1.37 0.00 0.21 3.46 0.00 -1.23 -4.84 105.19 101.42 2h5m n GLY 51 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 1.03 -0.78 1.61 2.07 -1.59 -1.22 116.25 117.37 2h5m h VAL 52 Ca 0.00 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.40 2h5m h VAL 52 Cb 0.12 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 2h5m h VAL 52 CO 0.00 0.11 0.45 1.23 0.02 0.00 0.00 177.57 179.37 2h5m h GLY 53 N 0.58 1.18 1.56 2.17 0.00 -1.30 -0.79 103.07 106.46 2h5m h GLY 53 Ca 0.21 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 2h5m h GLY 53 CO -0.11 0.16 -0.43 0.50 0.00 0.00 0.00 176.54 176.67 2h5m h LYS 54 N 0.79 0.48 -0.35 4.80 6.56 -1.70 -2.88 116.57 124.27 2h5m h LYS 54 Ca 0.36 -0.25 -0.07 0.00 -1.06 0.00 0.00 60.65 59.63 2h5m h LYS 54 Cb 0.27 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.92 2h5m h LYS 54 CO -0.21 0.82 -0.07 -0.22 -2.06 0.00 0.00 179.45 177.71 2h5m h LYS 55 N 0.40 0.58 0.28 3.15 3.64 -0.19 -0.18 116.57 124.24 2h5m h LYS 55 Ca 0.03 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2h5m h LYS 55 Cb 0.91 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2h5m h LYS 55 CO 0.08 0.65 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.71 2h5m h LEU 56 N 0.54 -0.32 -1.50 5.20 3.38 -0.98 -2.34 115.31 119.29 2h5m h LEU 56 Ca 0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2h5m h LEU 56 Cb 0.46 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2h5m h LEU 56 CO 0.02 -0.10 -0.19 -0.07 0.09 0.00 0.00 178.44 178.19 2h5m h LEU 57 N -0.54 0.07 -0.29 1.67 4.07 -1.40 -2.58 115.31 116.31 2h5m h LEU 57 Ca -0.04 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.92 2h5m h LEU 57 Cb 0.40 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2h5m h LEU 57 CO 0.06 0.27 0.15 0.50 -1.08 0.00 0.00 178.44 178.35 2h5m h LYS 58 N 0.07 0.31 -0.77 1.13 3.64 -0.75 0.12 116.57 120.32 2h5m h LYS 58 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2h5m h LYS 58 Cb 0.39 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2h5m h LYS 58 CO 0.03 0.21 0.44 0.00 -2.27 0.00 0.00 179.45 177.85 2h5m h ALA 59 N 1.14 0.99 -0.22 5.00 0.00 -1.04 0.21 119.26 125.35 2h5m h ALA 59 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2h5m h ALA 59 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2h5m h ALA 59 CO -0.07 0.48 0.07 0.28 0.00 0.00 0.00 179.25 180.00 2h5m h VAL 60 N 1.06 1.19 -0.70 0.00 2.07 -1.22 -1.06 116.25 117.59 2h5m h VAL 60 Ca 0.27 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2h5m h VAL 60 Cb 0.00 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2h5m h VAL 60 CO -0.05 0.19 0.27 0.58 0.02 0.00 0.00 177.57 178.59 2h5m h VAL 61 N 0.18 1.25 0.16 2.57 2.07 -0.44 -0.26 116.25 121.78 2h5m h VAL 61 Ca 0.07 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2h5m h VAL 61 Cb 0.23 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2h5m h VAL 61 CO -0.00 0.32 -0.14 -0.33 0.02 0.00 0.00 177.57 177.43 2h5m h GLU 62 N 1.01 -0.31 -0.15 1.57 5.08 -0.39 0.07 114.58 121.47 2h5m h GLU 62 Ca 0.23 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2h5m h GLU 62 Cb 0.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2h5m h GLU 62 CO -0.02 -0.21 -0.04 1.25 -1.00 0.00 0.00 179.01 178.99 2h5m h HIS 63 N -0.32 0.22 -0.11 4.33 2.76 -1.02 -0.78 115.15 120.22 2h5m h HIS 63 Ca -0.00 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 2h5m h HIS 63 Cb 0.30 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2h5m h HIS 63 CO -0.12 0.27 -0.36 0.00 -1.30 0.00 0.00 177.93 176.42 2h5m h ALA 64 N 1.75 1.18 -0.03 5.26 0.00 -0.34 -0.78 119.26 126.30 2h5m h ALA 64 Ca 0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2h5m h ALA 64 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2h5m h ALA 64 CO 0.01 0.55 -0.81 0.00 0.00 0.00 0.00 179.25 179.00 2h5m h ARG 65 N 0.20 0.30 0.03 0.00 2.47 0.35 0.24 114.38 117.98 2h5m h ARG 65 Ca 0.02 -0.29 -0.00 0.00 -1.26 0.00 0.00 59.98 58.46 2h5m h ARG 65 Cb 0.74 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 2h5m h ARG 65 CO 0.06 0.96 -0.01 0.93 0.56 0.00 0.00 179.97 182.46 2h5m h GLU 66 N 0.19 -0.04 -0.01 0.04 5.08 -0.87 -3.29 114.58 115.68 2h5m h GLU 66 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2h5m h GLU 66 Cb 1.41 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2h5m h GLU 66 CO 0.13 0.44 -0.30 0.09 -1.00 0.00 0.00 179.01 178.38 2h5m n ASN 67 N -4.87 1.44 -3.12 1.42 5.03 -0.33 -4.96 115.26 109.87 2h5m n ASN 67 Ca -0.08 -1.17 -0.18 0.00 0.87 0.00 0.00 54.58 54.02 2h5m n ASN 67 Cb 0.26 0.23 0.07 0.00 -1.02 0.00 0.00 39.78 39.31 2h5m n ASN 67 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2h5m n ASN 68 N -0.33 -4.18 -4.88 6.41 3.02 0.68 -5.00 115.26 110.99 2h5m n ASN 68 Ca 0.12 -0.49 -0.31 0.00 -0.03 0.00 0.00 54.58 53.87 2h5m n ASN 68 Cb 0.39 -4.41 -0.04 0.00 -0.61 0.00 0.00 39.78 35.11 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h5m s LEU 69 N -6.11 3.96 0.06 3.41 1.43 -0.28 -5.01 118.68 116.15 2h5m s LEU 69 Ca 0.29 1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 54.23 2h5m s LEU 69 Cb -0.13 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 2h5m s LEU 69 CO 0.62 -0.28 0.58 -0.54 0.23 0.00 0.00 176.35 176.97 2h5m s LYS 70 N -3.49 4.24 -0.25 1.70 1.02 0.40 -4.80 119.74 118.55 2h5m s LYS 70 Ca 0.50 0.76 -0.09 0.00 0.02 0.00 0.00 55.97 57.16 2h5m s LYS 70 Cb -0.10 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2h5m s LYS 70 CO 0.27 0.59 0.11 0.42 -0.92 0.00 0.00 175.35 175.82 2h5m s ILE 71 N -0.94 4.66 -0.04 2.17 -1.09 -0.79 -1.81 121.20 123.37 2h5m s ILE 71 Ca 0.30 -0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.71 2h5m s ILE 71 Cb -0.19 -3.19 -0.00 0.00 -1.58 0.00 0.00 42.46 37.49 2h5m s ILE 71 CO 0.19 0.32 -0.17 0.27 -1.23 0.00 0.00 174.94 174.32 2h5m s ILE 72 N 1.58 1.42 -0.18 2.92 -4.36 -0.90 -1.41 121.20 120.27 2h5m s ILE 72 Ca 0.06 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 2h5m s ILE 72 Cb -0.15 -1.22 0.01 0.00 1.25 0.00 0.00 42.46 42.35 2h5m s ILE 72 CO 0.06 0.41 -0.17 0.00 0.24 0.00 0.00 174.94 175.48 2h5m s ALA 73 N -0.01 2.42 -0.13 2.27 0.00 -1.26 -1.51 121.76 123.53 2h5m s ALA 73 Ca -0.03 -1.19 0.11 0.00 0.00 0.00 0.00 51.96 50.85 2h5m s ALA 73 Cb -0.11 -1.26 -0.23 0.00 0.00 0.00 0.00 23.12 21.51 2h5m s ALA 73 CO 0.02 -0.33 0.31 0.43 0.00 0.00 0.00 175.76 176.19 2h5m n SER 74 N 4.58 0.82 -4.70 0.00 7.64 -1.17 -4.76 113.62 116.04 2h5m n SER 74 Ca -0.20 0.18 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 2h5m n SER 74 Cb 0.50 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 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 7.42 0.58 0.52 0.00 0.02 -1.92 0.39 113.55 120.56 2h5m h SER 76 Ca -0.38 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 2h5m h SER 76 Cb 1.18 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.67 2h5m h SER 76 CO 0.87 0.33 -0.25 0.15 -1.14 0.00 0.00 176.83 176.80 2h5m h PHE 77 N 0.71 -0.65 -0.80 3.45 3.57 -1.93 -0.40 116.94 120.89 2h5m h PHE 77 Ca 0.37 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 2h5m h PHE 77 Cb 0.36 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2h5m h PHE 77 CO -0.08 -0.39 0.41 0.00 -2.23 0.00 0.00 178.31 176.02 2h5m h ALA 78 N -0.24 1.03 -0.88 2.41 0.00 -1.88 -2.34 119.26 117.36 2h5m h ALA 78 Ca -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2h5m h ALA 78 Cb 0.54 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2h5m h ALA 78 CO 0.12 0.57 0.58 -0.22 0.00 0.00 0.00 179.25 180.29 2h5m h LYS 79 N 1.12 1.17 -0.37 0.00 3.11 -0.78 0.54 116.57 121.37 2h5m h LYS 79 Ca 0.28 -0.08 -0.07 0.00 -2.81 0.00 0.00 60.65 57.98 2h5m h LYS 79 Cb 0.07 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 31.03 2h5m h LYS 79 CO -0.04 0.78 -0.06 1.25 -2.81 0.00 0.00 179.45 178.57 2h5m h HIS 80 N 1.20 0.64 0.09 1.91 2.76 -0.60 -0.91 115.15 120.23 2h5m h HIS 80 Ca 0.32 -0.09 -0.20 0.00 -2.20 0.00 0.00 60.37 58.20 2h5m h HIS 80 Cb -0.13 -0.18 0.02 0.00 1.55 0.00 0.00 27.41 28.68 2h5m h HIS 80 CO -0.01 0.65 -0.84 0.52 -1.30 0.00 0.00 177.93 176.95 2h5m h MET 81 N 0.57 0.42 0.00 5.26 2.86 -0.90 -2.60 114.93 120.54 2h5m h MET 81 Ca 0.11 -0.57 -0.06 0.00 -2.06 0.00 0.00 59.70 57.13 2h5m h MET 81 Cb 0.44 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2h5m h MET 81 CO 0.02 1.23 -0.28 -0.07 1.06 0.00 0.00 176.91 178.87 2h5m h LEU 82 N -0.11 0.00 0.00 1.22 3.38 -0.83 -0.95 115.31 118.02 2h5m h LEU 82 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2h5m h LEU 82 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2h5m h LEU 82 CO 0.16 0.28 -0.46 -0.08 0.09 0.00 0.00 178.44 178.43 2h5m h GLU 83 N 0.00 0.00 0.00 1.13 4.81 -1.22 -2.93 114.58 116.38 2h5m h GLU 83 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2h5m h GLU 83 Cb 0.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2h5m h GLU 83 CO 0.04 0.00 -0.82 -0.22 -0.73 0.00 0.00 179.01 177.28 2h5m h LYS 84 N 0.00 0.00 -6.51 1.92 3.64 -0.97 -3.47 116.57 111.19 2h5m h LYS 84 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 2h5m h LYS 84 Cb 0.87 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2h5m h LYS 84 CO 0.00 0.64 0.73 -2.00 -2.27 0.00 0.00 179.45 176.55 2h5m s GLU 85 N -2.25 4.32 0.15 1.90 2.56 -0.43 -4.93 118.70 120.02 2h5m s GLU 85 Ca -0.22 2.04 -0.14 0.00 0.00 0.00 0.00 54.97 56.65 2h5m s GLU 85 Cb 0.03 -3.32 0.02 0.00 2.00 0.00 0.00 34.13 32.87 2h5m s GLU 85 CO 0.45 -0.45 1.70 0.22 -0.56 0.00 0.00 175.26 176.62 2h5m h ASP 86 N 7.00 0.65 0.20 -1.70 3.58 -1.89 -0.62 116.42 123.64 2h5m h ASP 86 Ca -0.41 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 56.83 2h5m h ASP 86 Cb 1.20 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2h5m h ASP 86 CO 0.87 0.64 -0.18 0.28 -2.88 0.00 0.00 179.24 177.97 2h5m h SER 87 N 0.62 0.00 1.01 2.28 0.02 -1.93 -2.12 113.55 113.43 2h5m h SER 87 Ca 0.16 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 2h5m h SER 87 Cb 0.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2h5m h SER 87 CO -0.01 0.18 -1.02 1.88 -1.14 0.00 0.00 176.83 176.71 2h5m h TYR 88 N 0.00 0.00 0.00 3.45 -1.99 -1.70 -3.21 116.97 113.52 2h5m h TYR 88 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2h5m h TYR 88 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 2h5m h TYR 88 CO 0.00 0.88 0.00 0.94 -0.00 0.00 0.00 178.16 179.98 2h5m n GLN 89 N -3.26 0.17 0.09 4.88 -0.06 -0.28 -0.71 117.38 118.22 2h5m n GLN 89 Ca -0.02 0.43 -0.14 0.00 -2.00 0.00 0.00 57.00 55.26 2h5m n GLN 89 Cb 0.91 -1.85 -0.09 0.00 -4.06 0.00 0.00 30.24 25.15 2h5m n GLN 89 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2h5m h ASP 90 N 0.00 0.44 0.17 1.69 3.58 -1.53 -3.35 116.42 117.42 2h5m h ASP 90 Ca 0.00 -0.42 -0.35 0.00 0.42 0.00 0.00 57.03 56.68 2h5m h ASP 90 Cb 0.32 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2h5m h ASP 90 CO 0.00 1.27 -2.09 1.33 -2.88 0.00 0.00 179.24 176.87 2h5m n VAL 91 N -3.61 1.62 -2.74 2.25 0.24 -0.98 -4.89 118.33 110.21 2h5m n VAL 91 Ca -0.07 -0.70 -0.41 0.00 -2.04 0.00 0.00 64.34 61.11 2h5m n VAL 91 Cb 0.94 -1.31 -0.04 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.55 3.72 -1.07 6.34 5.04 0.11 -1.89 117.35 127.05 2h5m s TYR 92 Ca -0.19 1.71 -0.19 0.00 -2.44 0.00 0.00 57.07 55.95 2h5m s TYR 92 Cb 0.07 -3.07 -0.07 0.00 0.35 0.00 0.00 41.96 39.24 2h5m s TYR 92 CO 0.75 0.09 2.00 1.28 -1.34 0.00 0.00 175.55 178.33 2h5m n LEU 93 N 3.42 4.84 -1.29 6.97 4.77 -0.50 -4.53 117.00 130.68 2h5m n LEU 93 Ca 0.04 -3.38 0.10 0.00 -0.03 0.00 0.00 56.01 52.73 2h5m n LEU 93 Cb 0.50 -1.41 0.30 0.00 -2.33 0.00 0.00 43.42 40.49 2h5m n LEU 93 CO 0.51 -0.08 0.76 0.61 -1.33 0.00 0.00 177.39 177.86 2h5m n GLY 94 N 4.64 2.73 0.14 -0.72 0.00 -1.26 -4.35 105.19 106.37 2h5m n GLY 94 Ca 0.50 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2h5m n GLY 94 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2h5m h LEU 95 N 3.69 0.00 -6.58 0.99 8.10 -1.88 -3.31 115.31 116.31 2h5m h LEU 95 Ca 0.00 0.00 -0.78 0.00 0.11 0.00 0.00 57.88 57.21 2h5m h LEU 95 Cb 1.15 0.00 -0.29 0.00 -0.44 0.00 0.00 40.66 41.07 2h5m h LEU 95 CO 0.10 0.00 0.69 -0.62 -4.11 0.00 0.00 178.44 174.50 2h5m n GLU 96 N -2.32 4.57 -1.52 0.17 -0.58 -1.26 -4.85 120.64 114.86 2h5m n GLU 96 Ca 0.03 -4.62 -0.28 0.00 -0.42 0.00 0.00 57.16 51.88 2h5m n GLU 96 Cb 0.29 -2.47 -0.06 0.00 -0.57 0.00 0.00 31.44 28.64 2h5m n GLU 96 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2h5m n HIS 97 N 0.78 1.62 -2.05 -0.32 1.44 -1.25 -4.95 115.22 110.49 2h5m n HIS 97 Ca 0.33 -2.02 -0.42 0.00 -2.01 0.00 0.00 57.72 53.60 2h5m n HIS 97 Cb 0.32 -1.45 -0.03 0.00 0.12 0.00 0.00 29.99 28.95 2h5m n HIS 97 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2h5m s HIS 98 N -1.47 2.39 -0.90 -1.40 5.04 -1.26 -3.36 115.29 114.33 2h5m s HIS 98 Ca 0.59 0.43 -0.04 0.00 -1.54 0.00 0.00 55.06 54.49 2h5m s HIS 98 Cb 0.36 -3.85 -0.03 0.00 0.04 0.00 0.00 32.58 29.10 2h5m s HIS 98 CO -0.20 -3.43 0.78 1.58 -2.34 0.00 0.00 174.74 171.14 2h5m n HIS 99 N 6.11 -2.64 -2.87 3.88 -0.00 -1.26 -4.90 115.22 113.53 2h5m n HIS 99 Ca 0.16 0.95 -0.44 0.00 -0.00 0.00 0.00 57.72 58.39 2h5m n HIS 99 Cb 0.42 -3.98 0.00 0.00 -0.00 0.00 0.00 29.99 26.44 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 -2.59 4.47 -3.70 1.57 -0.00 -1.21 -4.87 115.22 108.89 2h5m n HIS 100 Ca -0.05 -3.28 -0.29 0.00 0.46 0.00 0.00 57.72 54.56 2h5m n HIS 100 Cb 0.56 -2.04 -0.13 0.00 -0.12 0.00 0.00 29.99 28.27 2h5m n HIS 100 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2h5m s HIS 101 N 0.77 1.97 0.00 1.57 2.46 -1.26 -5.21 115.29 115.59 2h5m s HIS 101 Ca 0.40 -2.43 0.00 0.00 0.47 0.00 0.00 55.06 53.50 2h5m s HIS 101 Cb -0.01 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 2h5m s HIS 101 CO -0.00 -0.78 0.00 1.58 -2.47 0.00 0.00 174.74 173.07