#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 5.95 -0.17 7.83 0.01 -1.26 -4.72 113.70 121.34 2h5m s SER 2 Ca 0.00 -1.38 -0.22 0.00 1.31 0.00 0.00 55.95 55.66 2h5m s SER 2 Cb 0.00 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.71 2h5m s SER 2 CO 0.00 -2.04 0.57 0.21 0.41 0.00 0.00 173.24 172.39 2h5m s ASN 3 N 6.01 -0.57 0.00 2.44 2.47 -1.26 -5.09 114.94 118.94 2h5m s ASN 3 Ca 0.57 0.97 0.00 0.00 0.42 0.00 0.00 52.86 54.83 2h5m s ASN 3 Cb -0.02 0.97 0.00 0.00 -1.45 0.00 0.00 41.25 40.76 2h5m s ASN 3 CO -0.02 -0.30 0.00 0.00 -3.72 0.00 0.00 177.10 173.06 2h5m n LEU 4 N 2.26 0.00 -0.97 3.21 -0.00 -1.26 -2.35 117.00 117.89 2h5m n LEU 4 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2h5m n LEU 4 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2h5m n LEU 4 CO 0.12 0.00 -0.27 -0.62 -0.00 0.00 0.00 177.39 176.62 2h5m n GLU 5 N 0.00 -2.78 -2.61 1.47 1.02 -1.26 -2.43 120.64 114.05 2h5m n GLU 5 Ca 0.00 2.05 -0.42 0.00 -0.02 0.00 0.00 57.16 58.77 2h5m n GLU 5 Cb 0.00 -2.30 -0.01 0.00 -0.02 0.00 0.00 31.44 29.11 2h5m n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2h5m s ILE 6 N -2.53 4.13 0.00 -3.67 1.01 -1.26 -3.01 121.20 115.87 2h5m s ILE 6 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 2h5m s ILE 6 Cb 0.00 -5.11 -0.05 0.00 0.01 0.00 0.00 42.46 37.31 2h5m s ILE 6 CO 0.00 -1.95 1.29 -0.54 0.00 0.00 0.00 174.94 173.74 2h5m s LYS 7 N 4.27 4.34 -0.18 2.79 -0.14 0.15 -4.82 119.74 126.16 2h5m s LYS 7 Ca 0.49 1.84 -0.04 0.00 -1.36 0.00 0.00 55.97 56.90 2h5m s LYS 7 Cb 0.02 -3.49 -0.02 0.00 -1.68 0.00 0.00 37.83 32.65 2h5m s LYS 7 CO -0.00 -0.45 -0.03 1.14 -0.76 0.00 0.00 175.35 175.25 2h5m s GLN 8 N 1.94 3.58 -0.10 1.68 -2.07 -1.26 -0.30 119.66 123.12 2h5m s GLN 8 Ca 0.60 -0.55 -0.30 0.00 -1.82 0.00 0.00 55.36 53.29 2h5m s GLN 8 Cb -0.29 -2.98 0.09 0.00 -1.09 0.00 0.00 33.01 28.74 2h5m s GLN 8 CO 0.26 0.07 0.79 0.20 -1.32 0.00 0.00 175.29 175.29 2h5m s GLY 9 N 0.81 -0.47 -1.69 2.60 0.00 -0.20 -4.97 107.32 103.41 2h5m s GLY 9 Ca -0.01 1.61 -0.15 0.00 0.00 0.00 0.00 44.72 46.16 2h5m s GLY 9 CO 0.02 1.02 0.61 -1.84 0.00 0.00 0.00 173.10 172.91 2h5m n GLU 10 N 0.93 -2.39 -3.43 2.90 0.28 -1.26 -0.07 120.64 117.60 2h5m n GLU 10 Ca -0.16 0.29 -0.23 0.00 -0.16 0.00 0.00 57.16 56.90 2h5m n GLU 10 Cb 0.57 -4.78 0.07 0.00 1.43 0.00 0.00 31.44 28.73 2h5m n GLU 10 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2h5m n ASN 11 N -2.68 -6.33 -3.79 -1.84 3.02 -1.26 -4.95 115.26 97.44 2h5m n ASN 11 Ca -0.01 -0.47 -0.13 0.00 -0.03 0.00 0.00 54.58 53.94 2h5m n ASN 11 Cb 0.53 -5.01 -0.14 0.00 -0.61 0.00 0.00 39.78 34.55 2h5m n ASN 11 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2h5m s LYS 12 N -6.14 0.09 -0.34 3.52 2.20 0.90 -2.87 119.74 117.09 2h5m s LYS 12 Ca 0.51 0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 56.24 2h5m s LYS 12 Cb -0.22 -0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 35.99 2h5m s LYS 12 CO 0.63 -0.10 0.23 -0.06 -0.36 0.00 0.00 175.35 175.69 2h5m s PHE 13 N 0.70 3.22 -0.05 4.03 0.08 -0.77 -1.03 117.98 124.17 2h5m s PHE 13 Ca -0.05 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2h5m s PHE 13 Cb -0.07 -2.47 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 2h5m s PHE 13 CO -0.03 -0.39 -0.05 1.52 -0.10 0.00 0.00 175.22 176.18 2h5m s TYR 14 N 1.71 0.78 -0.26 0.36 1.13 0.59 -0.95 117.35 120.70 2h5m s TYR 14 Ca 0.06 -0.23 -0.19 0.00 -1.41 0.00 0.00 57.07 55.30 2h5m s TYR 14 Cb -0.17 -0.70 -0.02 0.00 -1.10 0.00 0.00 41.96 39.96 2h5m s TYR 14 CO 0.10 -0.21 0.56 0.42 -2.51 0.00 0.00 175.55 173.91 2h5m s ILE 15 N 1.00 5.03 0.00 -3.49 1.01 0.12 -0.67 121.20 124.20 2h5m s ILE 15 Ca -0.10 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2h5m s ILE 15 Cb -0.14 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2h5m s ILE 15 CO -0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2h5m n GLY 16 N 4.33 1.33 0.04 6.18 0.00 -1.02 0.32 105.19 116.37 2h5m n GLY 16 Ca -0.03 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.28 -3.53 1.61 2.03 -0.99 -4.61 116.55 111.33 2h5m n ASP 17 Ca 0.00 0.53 -0.13 0.00 0.52 0.00 0.00 54.79 55.71 2h5m n ASP 17 Cb 0.00 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.76 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 -3.52 -0.46 0.23 1.67 2.15 -1.26 -4.90 116.67 110.58 2h5m s ASP 18 Ca 0.13 0.07 -0.06 0.00 0.43 0.00 0.00 52.55 53.12 2h5m s ASP 18 Cb 0.16 0.53 0.36 0.00 -0.30 0.00 0.00 42.92 43.67 2h5m s ASP 18 CO 0.54 -0.81 1.80 -0.33 -0.17 0.00 0.00 175.17 176.20 2h5m h GLU 19 N 2.48 0.70 -0.13 4.34 3.07 -1.99 0.59 114.58 123.64 2h5m h GLU 19 Ca -0.32 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 2h5m h GLU 19 Cb 1.25 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2h5m h GLU 19 CO 0.41 0.46 0.00 0.09 -1.40 0.00 0.00 179.01 178.57 2h5m n ASN 20 N -4.79 1.29 -0.53 1.42 4.13 -1.26 -3.30 115.26 112.23 2h5m n ASN 20 Ca 0.12 -1.66 0.09 0.00 1.68 0.00 0.00 54.58 54.82 2h5m n ASN 20 Cb 0.26 -0.08 0.21 0.00 -1.54 0.00 0.00 39.78 38.62 2h5m n ASN 20 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2h5m n ASN 21 N 0.07 3.19 -4.60 6.41 3.02 0.16 -5.00 115.26 118.52 2h5m n ASN 21 Ca 0.15 -3.06 -0.43 0.00 -0.03 0.00 0.00 54.58 51.22 2h5m n ASN 21 Cb 0.27 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 -2.86 2.70 0.14 5.41 0.00 -0.97 -4.22 121.76 121.96 2h5m s ALA 22 Ca 0.38 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 2h5m s ALA 22 Cb 0.31 -4.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 2h5m s ALA 22 CO 0.06 -2.85 1.38 -0.07 0.00 0.00 0.00 175.76 174.28 2h5m h LEU 23 N 15.00 0.80 -7.33 0.00 3.38 -0.47 -3.44 115.31 123.25 2h5m h LEU 23 Ca -0.38 -0.49 -0.22 0.00 0.09 0.00 0.00 57.88 56.87 2h5m h LEU 23 Cb 1.22 -0.23 -0.31 0.00 0.09 0.00 0.00 40.66 41.43 2h5m h LEU 23 CO 0.99 1.27 -0.53 0.00 0.09 0.00 0.00 178.44 180.25 2h5m s ALA 24 N -3.82 -0.45 0.02 1.53 0.00 -1.13 -1.98 121.76 115.93 2h5m s ALA 24 Ca -0.09 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2h5m s ALA 24 Cb 0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2h5m s ALA 24 CO 0.88 -0.32 -0.03 -1.83 0.00 0.00 0.00 175.76 174.46 2h5m s GLU 25 N 1.59 0.26 -0.04 0.00 -1.05 0.63 0.12 118.70 120.21 2h5m s GLU 25 Ca -0.06 -0.49 0.02 0.00 -0.15 0.00 0.00 54.97 54.30 2h5m s GLU 25 Cb -0.11 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.64 2h5m s GLU 25 CO -0.08 -0.03 -0.09 -1.50 0.95 0.00 0.00 175.26 174.51 2h5m s ILE 26 N -1.13 0.87 -0.08 1.83 2.07 -0.13 -0.34 121.20 124.29 2h5m s ILE 26 Ca -0.12 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 58.78 2h5m s ILE 26 Cb -0.08 -0.80 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 2h5m s ILE 26 CO -0.01 0.28 -0.12 0.42 -1.91 0.00 0.00 174.94 173.61 2h5m s THR 27 N 0.51 3.22 -0.01 4.00 -4.23 -0.90 -1.84 115.64 116.39 2h5m s THR 27 Ca -0.09 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2h5m s THR 27 Cb -0.12 -2.31 -0.00 0.00 1.34 0.00 0.00 72.50 71.41 2h5m s THR 27 CO 0.02 0.57 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.90 2h5m s TYR 28 N -0.35 0.46 0.00 3.99 1.13 -1.14 -1.11 117.35 120.34 2h5m s TYR 28 Ca 0.04 -0.09 0.06 0.00 -1.41 0.00 0.00 57.07 55.67 2h5m s TYR 28 Cb -0.12 -0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 40.40 2h5m s TYR 28 CO 0.02 -0.03 -0.19 1.03 -2.51 0.00 0.00 175.55 173.88 2h5m s ARG 29 N 0.01 1.46 -0.85 -3.49 0.52 -0.65 -4.77 118.95 111.19 2h5m s ARG 29 Ca 0.00 -0.76 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 2h5m s ARG 29 Cb -0.03 -1.46 0.03 0.00 0.52 0.00 0.00 34.95 34.01 2h5m s ARG 29 CO -0.00 0.39 1.41 -0.06 0.02 0.00 0.00 175.30 177.06 2h5m s PHE 30 N -0.57 2.32 0.02 -0.53 0.40 -1.26 -1.04 117.98 117.32 2h5m s PHE 30 Ca 0.07 -0.27 0.10 0.00 -0.60 0.00 0.00 56.93 56.23 2h5m s PHE 30 Cb -0.08 -4.60 -0.14 0.00 0.51 0.00 0.00 43.02 38.71 2h5m s PHE 30 CO 0.00 -2.03 1.23 -0.39 0.70 0.00 0.00 175.22 174.73 2h5m h VAL 31 N 6.43 1.34 -0.10 -0.44 -1.51 -1.62 -3.38 116.25 116.97 2h5m h VAL 31 Ca -0.08 -2.97 -0.19 0.00 -1.23 0.00 0.00 66.70 62.23 2h5m h VAL 31 Cb 1.04 2.65 -0.34 0.00 -2.13 0.00 0.00 31.29 32.51 2h5m h VAL 31 CO 1.33 0.77 -0.90 -0.67 -1.23 0.00 0.00 177.57 176.87 2h5m n ASP 32 N -3.26 0.68 0.00 4.19 2.03 -1.15 -5.00 116.55 114.03 2h5m n ASP 32 Ca -0.02 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.27 2h5m n ASP 32 Cb 0.90 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 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 0.03 0.00 -1.17 1.67 2.85 -1.26 -3.70 115.26 113.67 2h5m n ASN 33 Ca -0.00 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.51 2h5m n ASN 33 Cb 0.98 0.00 0.21 0.00 1.24 0.00 0.00 39.78 42.21 2h5m n ASN 33 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2h5m n ASN 34 N 1.57 3.33 -3.68 1.20 4.13 -1.26 -4.70 115.26 115.86 2h5m n ASN 34 Ca 0.00 -2.43 -0.23 0.00 1.68 0.00 0.00 54.58 53.59 2h5m n ASN 34 Cb 0.00 -0.56 -0.17 0.00 -1.54 0.00 0.00 39.78 37.51 2h5m n ASN 34 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2h5m s GLU 35 N -1.88 0.18 -0.18 3.52 2.12 -1.24 -0.10 118.70 121.12 2h5m s GLU 35 Ca 0.28 0.08 -0.03 0.00 0.36 0.00 0.00 54.97 55.67 2h5m s GLU 35 Cb 0.21 -1.24 -0.01 0.00 0.26 0.00 0.00 34.13 33.35 2h5m s GLU 35 CO 0.09 -0.48 -0.07 0.96 -0.54 0.00 0.00 175.26 175.22 2h5m s ILE 36 N 2.09 3.33 -0.27 -3.70 -4.36 -0.12 -1.41 121.20 116.75 2h5m s ILE 36 Ca 0.03 -0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 59.81 2h5m s ILE 36 Cb -0.14 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 2h5m s ILE 36 CO -0.06 0.47 0.09 0.21 0.24 0.00 0.00 174.94 175.89 2h5m s ASN 37 N 0.91 5.25 -0.24 4.36 2.47 -0.21 -1.82 114.94 125.67 2h5m s ASN 37 Ca -0.01 -0.33 -0.29 0.00 0.42 0.00 0.00 52.86 52.65 2h5m s ASN 37 Cb -0.15 -1.94 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 2h5m s ASN 37 CO 0.00 -0.09 1.32 -0.63 -3.72 0.00 0.00 177.10 173.99 2h5m s ILE 38 N 1.61 4.14 -0.09 -5.21 1.01 0.11 -1.64 121.20 121.13 2h5m s ILE 38 Ca 0.06 1.33 -0.04 0.00 0.00 0.00 0.00 60.65 61.99 2h5m s ILE 38 Cb -0.16 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2h5m s ILE 38 CO 0.04 -0.33 0.15 -0.78 0.00 0.00 0.00 174.94 174.02 2h5m h ASP 39 N 9.03 -0.07 -5.48 3.58 1.82 -1.44 -1.21 116.42 122.65 2h5m h ASP 39 Ca -0.27 -0.06 -0.20 0.00 -0.39 0.00 0.00 57.03 56.11 2h5m h ASP 39 Cb 1.11 0.02 -0.14 0.00 0.68 0.00 0.00 39.33 40.99 2h5m h ASP 39 CO 1.01 0.45 -0.58 -1.38 -1.61 0.00 0.00 179.24 177.13 2h5m s HIS 40 N -1.87 0.95 -0.20 0.28 -3.43 -1.26 -3.73 115.29 106.02 2h5m s HIS 40 Ca -0.02 -1.24 -0.04 0.00 -0.80 0.00 0.00 55.06 52.95 2h5m s HIS 40 Cb -0.00 -0.45 0.09 0.00 -1.43 0.00 0.00 32.58 30.79 2h5m s HIS 40 CO 0.08 -0.62 0.21 0.99 -2.00 0.00 0.00 174.74 173.40 2h5m s THR 41 N -4.10 -0.29 -0.55 -5.38 2.01 -1.26 -2.11 115.64 103.96 2h5m s THR 41 Ca 0.31 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2h5m s THR 41 Cb 0.06 -0.68 0.14 0.00 0.01 0.00 0.00 72.50 72.03 2h5m s THR 41 CO 0.07 -0.24 0.35 -0.83 -0.69 0.00 0.00 174.62 173.28 2h5m s GLY 42 N 2.30 2.34 0.08 4.40 0.00 0.54 -4.98 107.32 112.00 2h5m s GLY 42 Ca 0.06 -3.04 0.00 0.00 0.00 0.00 0.00 44.72 41.75 2h5m s GLY 42 CO -0.13 1.07 0.23 0.14 0.00 0.00 0.00 173.10 174.41 2h5m s VAL 43 N 0.29 5.37 0.37 1.40 1.01 -1.26 -0.27 120.40 127.31 2h5m s VAL 43 Ca 0.14 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 2h5m s VAL 43 Cb -0.21 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2h5m s VAL 43 CO -0.03 0.10 1.31 -0.44 0.00 0.00 0.00 175.10 176.04 2h5m s SER 44 N -2.62 6.55 -0.14 3.32 0.01 -0.84 -4.90 113.70 115.08 2h5m s SER 44 Ca 0.35 2.68 -0.04 0.00 1.31 0.00 0.00 55.95 60.25 2h5m s SER 44 Cb -0.13 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.53 2h5m s SER 44 CO 0.28 -0.69 0.18 -0.62 0.41 0.00 0.00 173.24 172.80 2h5m s ASP 45 N -0.59 1.19 0.00 2.44 2.15 -1.26 -4.79 116.67 115.80 2h5m s ASP 45 Ca 0.53 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.51 2h5m s ASP 45 Cb -0.39 0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 2h5m s ASP 45 CO 0.51 -0.29 0.00 -0.62 -0.17 0.00 0.00 175.17 174.60 2h5m n GLU 46 N 5.32 0.00 -0.13 4.34 1.02 -1.26 -4.87 120.64 125.06 2h5m n GLU 46 Ca -0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.90 2h5m n GLU 46 Cb 0.50 -0.75 -0.12 0.00 -0.02 0.00 0.00 31.44 31.05 2h5m n GLU 46 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2h5m n LEU 47 N -2.64 2.94 0.00 -4.62 7.94 -1.26 -5.01 117.00 114.35 2h5m n LEU 47 Ca 0.00 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2h5m n LEU 47 Cb 0.45 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.49 2h5m n LEU 47 CO 0.00 0.93 0.00 0.61 -1.11 0.00 0.00 177.39 177.82 2h5m n GLY 48 N 2.22 1.03 2.29 -3.96 0.00 -1.26 -5.03 105.19 100.48 2h5m n GLY 48 Ca -0.46 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.15 3.74 3.60 -0.02 0.00 -1.26 -5.09 105.19 106.02 2h5m n GLY 49 Ca 0.00 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2h5m n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h5m s GLN 50 N -2.27 3.90 -0.07 1.61 1.11 -1.26 -4.98 119.66 117.70 2h5m s GLN 50 Ca 0.40 -0.39 0.12 0.00 0.01 0.00 0.00 55.36 55.50 2h5m s GLN 50 Cb 0.29 -3.14 0.47 0.00 -1.01 0.00 0.00 33.01 29.62 2h5m s GLN 50 CO -0.09 0.27 1.33 0.41 0.01 0.00 0.00 175.29 177.21 2h5m n GLY 51 N 3.53 1.79 0.31 3.09 0.00 -1.26 -4.27 105.19 108.38 2h5m n GLY 51 Ca -0.17 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 2.68 1.12 0.00 1.61 2.07 -1.93 -1.41 116.25 120.39 2h5m h VAL 52 Ca 0.00 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2h5m h VAL 52 Cb 1.01 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2h5m h VAL 52 CO 0.15 0.12 -0.22 1.23 0.02 0.00 0.00 177.57 178.87 2h5m h GLY 53 N 0.65 0.00 1.13 2.17 0.00 -1.94 -2.29 103.07 102.79 2h5m h GLY 53 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 2h5m h GLY 53 CO -0.04 0.00 -0.20 0.50 0.00 0.00 0.00 176.54 176.80 2h5m h LYS 54 N 0.00 0.99 -0.60 4.80 1.57 -1.57 -0.74 116.57 121.03 2h5m h LYS 54 Ca -0.00 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 2h5m h LYS 54 Cb 0.40 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2h5m h LYS 54 CO 0.03 1.09 0.25 0.87 -0.57 0.00 0.00 179.45 181.12 2h5m h LYS 55 N 0.86 0.89 -0.26 3.15 6.56 -1.33 0.27 116.57 126.71 2h5m h LYS 55 Ca 0.11 -0.16 -0.05 0.00 -1.06 0.00 0.00 60.65 59.50 2h5m h LYS 55 Cb 0.78 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 2h5m h LYS 55 CO 0.06 0.75 -0.04 -0.07 -2.06 0.00 0.00 179.45 178.09 2h5m h LEU 56 N 0.83 0.49 -0.74 2.94 3.38 -1.33 -2.23 115.31 118.65 2h5m h LEU 56 Ca 0.20 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2h5m h LEU 56 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2h5m h LEU 56 CO -0.02 0.72 0.06 0.25 0.09 0.00 0.00 178.44 179.55 2h5m h LEU 57 N 0.25 0.98 -1.12 1.67 5.85 -0.95 -2.60 115.31 119.39 2h5m h LEU 57 Ca 0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2h5m h LEU 57 Cb 0.50 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2h5m h LEU 57 CO 0.02 1.00 0.48 0.50 -0.34 0.00 0.00 178.44 180.10 2h5m h LYS 58 N 0.95 1.08 -0.52 1.25 3.11 -0.36 -0.29 116.57 121.79 2h5m h LYS 58 Ca 0.18 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 2h5m h LYS 58 Cb 0.46 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 2h5m h LYS 58 CO 0.02 0.76 0.30 0.00 -2.81 0.00 0.00 179.45 177.71 2h5m h ALA 59 N 1.43 0.67 -0.19 5.00 0.00 -1.03 0.22 119.26 125.36 2h5m h ALA 59 Ca 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2h5m h ALA 59 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2h5m h ALA 59 CO -0.05 0.18 0.02 0.28 0.00 0.00 0.00 179.25 179.67 2h5m h VAL 60 N 0.70 1.24 -0.78 0.00 2.07 -1.17 -1.78 116.25 116.53 2h5m h VAL 60 Ca 0.19 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2h5m h VAL 60 Cb 0.03 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2h5m h VAL 60 CO -0.03 0.24 0.49 0.58 0.02 0.00 0.00 177.57 178.87 2h5m h VAL 61 N 0.11 1.21 0.36 2.57 2.07 -0.84 0.16 116.25 121.90 2h5m h VAL 61 Ca 0.06 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2h5m h VAL 61 Cb 0.35 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2h5m h VAL 61 CO 0.01 0.22 -0.17 -0.08 0.02 0.00 0.00 177.57 177.56 2h5m h GLU 62 N 1.07 -0.47 -0.17 1.57 4.57 -0.44 -1.54 114.58 119.17 2h5m h GLU 62 Ca 0.28 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.42 2h5m h GLU 62 Cb -0.07 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2h5m h GLU 62 CO -0.06 -0.30 -0.22 1.25 -1.18 0.00 0.00 179.01 178.50 2h5m h HIS 63 N -0.50 0.32 -0.18 0.92 2.76 -1.15 -2.77 115.15 114.54 2h5m h HIS 63 Ca -0.05 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 2h5m h HIS 63 Cb 0.38 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2h5m h HIS 63 CO -0.05 0.50 0.07 0.00 -1.30 0.00 0.00 177.93 177.16 2h5m h ALA 64 N 1.51 0.24 -0.51 5.26 0.00 -0.43 -2.82 119.26 122.51 2h5m h ALA 64 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2h5m h ALA 64 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2h5m h ALA 64 CO 0.04 -0.17 0.18 -0.09 0.00 0.00 0.00 179.25 179.21 2h5m h ARG 65 N 0.14 0.74 -0.96 0.00 2.43 -1.12 0.38 114.38 115.99 2h5m h ARG 65 Ca 0.06 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2h5m h ARG 65 Cb 0.18 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 2h5m h ARG 65 CO -0.00 0.62 0.62 0.93 -1.51 0.00 0.00 179.97 180.63 2h5m h GLU 66 N 0.73 1.15 -0.47 0.20 5.08 -1.25 -2.41 114.58 117.60 2h5m h GLU 66 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2h5m h GLU 66 Cb 0.18 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2h5m h GLU 66 CO -0.01 0.76 0.00 0.09 -1.00 0.00 0.00 179.01 178.85 2h5m n ASN 67 N -4.49 3.31 -3.51 1.42 3.02 -0.98 -4.98 115.26 109.05 2h5m n ASN 67 Ca 0.13 -1.97 -0.20 0.00 -0.03 0.00 0.00 54.58 52.51 2h5m n ASN 67 Cb 0.12 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 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 1.05 -3.53 -4.85 6.41 2.85 0.53 -4.98 115.26 112.74 2h5m n ASN 68 Ca 0.17 -0.78 -0.37 0.00 -0.11 0.00 0.00 54.58 53.49 2h5m n ASN 68 Cb 0.51 -4.51 -0.06 0.00 1.24 0.00 0.00 39.78 36.96 2h5m n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2h5m s LEU 69 N -6.22 4.37 0.02 1.20 1.43 0.10 -4.92 118.68 114.67 2h5m s LEU 69 Ca 0.20 0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 53.52 2h5m s LEU 69 Cb -0.04 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2h5m s LEU 69 CO 0.78 0.37 0.85 -0.54 0.23 0.00 0.00 176.35 178.04 2h5m s LYS 70 N -0.82 4.54 -0.18 1.70 1.02 0.86 -4.63 119.74 122.22 2h5m s LYS 70 Ca 0.15 1.20 -0.06 0.00 0.02 0.00 0.00 55.97 57.28 2h5m s LYS 70 Cb -0.12 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2h5m s LYS 70 CO 0.04 0.13 0.03 0.42 -0.92 0.00 0.00 175.35 175.05 2h5m s ILE 71 N 0.45 4.43 -0.00 2.17 1.01 -0.85 -0.94 121.20 127.46 2h5m s ILE 71 Ca 0.44 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.94 2h5m s ILE 71 Cb -0.21 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 2h5m s ILE 71 CO 0.25 0.45 -0.05 0.27 0.00 0.00 0.00 174.94 175.86 2h5m s ILE 72 N 0.55 0.37 -0.02 2.92 -4.36 -0.75 -3.23 121.20 116.67 2h5m s ILE 72 Ca 0.01 -0.20 0.05 0.00 -0.26 0.00 0.00 60.65 60.25 2h5m s ILE 72 Cb -0.13 -0.32 -0.01 0.00 1.25 0.00 0.00 42.46 43.25 2h5m s ILE 72 CO 0.02 0.11 -0.17 0.00 0.24 0.00 0.00 174.94 175.13 2h5m s ALA 73 N -0.10 1.42 -0.12 2.27 0.00 -1.26 0.08 121.76 124.04 2h5m s ALA 73 Ca 0.02 -0.71 0.16 0.00 0.00 0.00 0.00 51.96 51.43 2h5m s ALA 73 Cb -0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 23.12 22.48 2h5m s ALA 73 CO -0.00 0.33 0.43 0.43 0.00 0.00 0.00 175.76 176.94 2h5m n SER 74 N 2.77 0.46 -4.73 0.00 7.64 -0.46 -4.72 113.62 114.59 2h5m n SER 74 Ca -0.15 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 2h5m n SER 74 Cb 0.54 0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 64.24 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 6.07 0.73 0.53 0.00 0.02 -1.93 -0.16 113.55 118.80 2h5m h SER 76 Ca -0.43 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 2h5m h SER 76 Cb 1.21 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.58 2h5m h SER 76 CO 0.81 0.52 -0.25 0.15 -1.14 0.00 0.00 176.83 176.91 2h5m h PHE 77 N 0.85 -0.65 -0.82 3.45 3.57 -1.97 -0.44 116.94 120.92 2h5m h PHE 77 Ca 0.25 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2h5m h PHE 77 Cb -0.05 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 2h5m h PHE 77 CO -0.00 -0.33 0.54 0.00 -2.23 0.00 0.00 178.31 176.29 2h5m h ALA 78 N -0.74 1.07 -0.79 2.41 0.00 -1.92 -0.18 119.26 119.11 2h5m h ALA 78 Ca -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2h5m h ALA 78 Cb 0.62 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2h5m h ALA 78 CO 0.12 0.40 0.39 -0.22 0.00 0.00 0.00 179.25 179.93 2h5m h LYS 79 N 1.07 1.14 -0.45 0.00 3.64 -1.03 -0.26 116.57 120.68 2h5m h LYS 79 Ca 0.32 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 2h5m h LYS 79 Cb -0.05 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 2h5m h LYS 79 CO -0.09 0.88 -0.06 1.25 -2.27 0.00 0.00 179.45 179.15 2h5m h HIS 80 N 1.12 0.84 -0.32 1.91 2.76 -0.25 -1.55 115.15 119.66 2h5m h HIS 80 Ca 0.27 -0.14 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 2h5m h HIS 80 Cb 0.11 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2h5m h HIS 80 CO 0.01 0.81 -0.17 0.52 -1.30 0.00 0.00 177.93 177.80 2h5m h MET 81 N 0.71 0.68 -0.40 5.26 2.86 -0.49 -0.34 114.93 123.21 2h5m h MET 81 Ca 0.13 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 2h5m h MET 81 Cb 0.53 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2h5m h MET 81 CO 0.03 0.90 0.04 -0.07 1.06 0.00 0.00 176.91 178.87 2h5m h LEU 82 N 0.44 0.58 -0.17 1.22 3.38 -0.90 -0.71 115.31 119.16 2h5m h LEU 82 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2h5m h LEU 82 Cb 0.71 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2h5m h LEU 82 CO 0.05 0.63 -0.09 -0.33 0.09 0.00 0.00 178.44 178.79 2h5m h GLU 83 N 0.60 0.00 0.00 1.13 5.08 -1.14 -2.91 114.58 117.33 2h5m h GLU 83 Ca 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2h5m h GLU 83 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2h5m h GLU 83 CO 0.01 0.09 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.58 2h5m h LYS 84 N 0.00 0.00 -5.88 2.33 3.11 -0.24 -3.44 116.57 112.45 2h5m h LYS 84 Ca -0.00 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.24 2h5m h LYS 84 Cb 1.01 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 32.14 2h5m h LYS 84 CO 0.01 0.95 0.46 -2.00 -2.81 0.00 0.00 179.45 176.06 2h5m s GLU 85 N -2.23 3.85 0.47 1.90 2.56 -0.35 -4.92 118.70 119.98 2h5m s GLU 85 Ca -0.21 0.49 0.14 0.00 0.00 0.00 0.00 54.97 55.39 2h5m s GLU 85 Cb -0.01 -3.78 1.10 0.00 2.00 0.00 0.00 34.13 33.44 2h5m s GLU 85 CO 0.63 -0.83 2.07 0.38 -0.56 0.00 0.00 175.26 176.95 2h5m h ASP 86 N 8.36 0.23 -0.29 -1.70 2.03 -1.86 0.70 116.42 123.90 2h5m h ASP 86 Ca -0.24 -0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.02 2h5m h ASP 86 Cb 1.09 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 39.52 2h5m h ASP 86 CO 0.93 0.16 0.07 0.28 -1.03 0.00 0.00 179.24 179.65 2h5m h SER 87 N 0.27 0.51 0.62 4.15 0.02 -1.91 -2.50 113.55 114.71 2h5m h SER 87 Ca 0.14 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.76 2h5m h SER 87 Cb 0.21 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 2h5m h SER 87 CO -0.03 0.53 -1.53 1.88 -1.14 0.00 0.00 176.83 176.54 2h5m h TYR 88 N 0.54 0.00 0.00 3.45 0.05 -1.49 -3.32 116.97 116.20 2h5m h TYR 88 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2h5m h TYR 88 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2h5m h TYR 88 CO 0.01 0.89 0.00 0.37 -1.05 0.00 0.00 178.16 178.38 2h5m h GLN 89 N 0.00 0.00 -0.06 4.88 4.15 -0.48 -2.01 115.11 121.59 2h5m h GLN 89 Ca -0.22 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 2h5m h GLN 89 Cb 1.88 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.56 2h5m h GLN 89 CO 0.08 0.00 0.01 0.22 -1.93 0.00 0.00 178.83 177.21 2h5m h ASP 90 N 0.00 0.10 0.77 -0.69 3.58 -1.59 -3.07 116.42 115.51 2h5m h ASP 90 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2h5m h ASP 90 Cb 0.12 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2h5m h ASP 90 CO 0.00 0.30 -0.47 1.33 -2.88 0.00 0.00 179.24 177.52 2h5m n VAL 91 N -4.91 0.19 -2.75 2.25 0.24 -1.04 -4.66 118.33 107.64 2h5m n VAL 91 Ca -0.07 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.68 2h5m n VAL 91 Cb 0.15 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.08 2.69 0.10 6.34 5.04 -0.78 -2.00 117.35 125.66 2h5m s TYR 92 Ca 0.09 -0.76 0.09 0.00 -2.44 0.00 0.00 57.07 54.05 2h5m s TYR 92 Cb 0.16 -4.45 -0.06 0.00 0.35 0.00 0.00 41.96 37.96 2h5m s TYR 92 CO 0.68 -1.75 1.37 1.37 -1.34 0.00 0.00 175.55 175.88 2h5m h LEU 93 N 11.75 0.00 0.00 6.97 -0.00 -1.79 -3.46 115.31 128.78 2h5m h LEU 93 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2h5m h LEU 93 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2h5m h LEU 93 CO 1.24 0.85 0.00 0.61 -0.00 0.00 0.00 178.44 181.14 2h5m n GLY 94 N 1.14 1.63 2.99 0.17 0.00 -1.26 -4.43 105.19 105.43 2h5m n GLY 94 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2h5m n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h5m s LEU 95 N 0.00 1.67 0.47 0.99 2.96 -1.26 -4.95 118.68 118.56 2h5m s LEU 95 Ca 0.00 -0.52 0.26 0.00 -0.22 0.00 0.00 54.13 53.65 2h5m s LEU 95 Cb 0.00 -1.11 1.07 0.00 0.50 0.00 0.00 46.19 46.65 2h5m s LEU 95 CO 0.00 -0.09 1.89 -0.33 -1.32 0.00 0.00 176.35 176.50 2h5m h GLU 96 N 8.07 0.00 -3.72 1.98 5.08 -2.03 -3.43 114.58 120.52 2h5m h GLU 96 Ca -0.35 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.79 2h5m h GLU 96 Cb 1.13 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.10 2h5m h GLU 96 CO 0.49 0.17 -0.71 -1.58 -1.00 0.00 0.00 179.01 176.39 2h5m s HIS 97 N -3.72 0.00 -0.44 4.33 5.04 -1.26 -5.09 115.29 114.15 2h5m s HIS 97 Ca 0.00 -0.00 -0.27 0.00 -1.54 0.00 0.00 55.06 53.25 2h5m s HIS 97 Cb 0.10 -0.01 -0.05 0.00 0.04 0.00 0.00 32.58 32.67 2h5m s HIS 97 CO 0.61 -0.01 2.16 -1.58 -2.34 0.00 0.00 174.74 173.58 2h5m s HIS 98 N -0.06 1.33 -0.03 3.88 2.46 -1.26 -4.95 115.29 116.66 2h5m s HIS 98 Ca -0.01 1.06 -0.14 0.00 0.47 0.00 0.00 55.06 56.44 2h5m s HIS 98 Cb -0.01 -3.84 -0.05 0.00 -0.13 0.00 0.00 32.58 28.55 2h5m s HIS 98 CO -0.00 -2.84 0.36 -1.58 -2.47 0.00 0.00 174.74 168.21 2h5m s HIS 99 N 9.99 3.69 -0.26 3.88 5.04 -1.26 -5.06 115.29 131.30 2h5m s HIS 99 Ca 0.89 0.90 -0.19 0.00 -1.54 0.00 0.00 55.06 55.11 2h5m s HIS 99 Cb -0.20 -2.24 -0.02 0.00 0.04 0.00 0.00 32.58 30.15 2h5m s HIS 99 CO 0.28 0.62 0.58 -1.58 -2.34 0.00 0.00 174.74 172.30 2h5m s HIS 100 N -0.93 3.27 0.71 3.88 2.46 -1.26 -5.04 115.29 118.38 2h5m s HIS 100 Ca 0.22 0.72 -0.16 0.00 0.47 0.00 0.00 55.06 56.31 2h5m s HIS 100 Cb -0.16 -2.79 0.02 0.00 -0.13 0.00 0.00 32.58 29.52 2h5m s HIS 100 CO 0.11 -0.31 1.20 -2.39 -2.47 0.00 0.00 174.74 170.88 2h5m n HIS 101 N 5.64 1.46 1.82 3.88 1.44 -1.26 -5.32 115.22 122.88 2h5m n HIS 101 Ca -0.02 0.41 0.15 0.00 -2.01 0.00 0.00 57.72 56.25 2h5m n HIS 101 Cb 0.49 -2.18 0.87 0.00 0.12 0.00 0.00 29.99 29.29 2h5m n HIS 101 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25