#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vqb s ILE 2 N 0.00 5.03 -0.22 2.02 1.01 -1.26 -5.04 121.20 122.74 1vqb s ILE 2 Ca 0.00 1.42 -0.19 0.00 0.00 0.00 0.00 60.65 61.88 1vqb s ILE 2 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1vqb s ILE 2 CO 0.00 0.21 0.57 -0.75 0.00 0.00 0.00 174.94 174.97 1vqb s LYS 3 N 1.10 4.17 -0.02 2.79 2.20 -1.26 -4.04 119.74 124.67 1vqb s LYS 3 Ca 0.36 0.49 0.07 0.00 -0.36 0.00 0.00 55.97 56.53 1vqb s LYS 3 Cb -0.17 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1vqb s LYS 3 CO 0.16 -0.25 -0.23 0.08 -0.36 0.00 0.00 175.35 174.75 1vqb s VAL 4 N 1.96 1.81 -0.05 4.02 1.01 -0.45 -2.19 120.40 126.50 1vqb s VAL 4 Ca 0.26 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1vqb s VAL 4 Cb -0.16 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1vqb s VAL 4 CO 0.10 0.51 -0.16 -0.70 0.00 0.00 0.00 175.10 174.85 1vqb s GLU 5 N -0.44 1.86 -0.33 2.72 2.12 0.11 -0.82 118.70 123.90 1vqb s GLU 5 Ca 0.06 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.68 1vqb s GLU 5 Cb -0.10 -1.56 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 1vqb s GLU 5 CO -0.00 0.17 0.29 0.42 -0.54 0.00 0.00 175.26 175.60 1vqb s ILE 6 N 0.25 5.24 0.68 -3.70 -1.09 -0.44 -1.08 121.20 121.06 1vqb s ILE 6 Ca -0.08 -0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.17 1vqb s ILE 6 Cb -0.13 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1vqb s ILE 6 CO 0.03 -0.02 1.06 -0.54 -1.23 0.00 0.00 174.94 174.24 1vqb s LYS 7 N 1.85 3.06 0.51 2.79 -0.14 -1.26 -1.61 119.74 124.94 1vqb s LYS 7 Ca 0.09 0.77 0.26 0.00 -1.36 0.00 0.00 55.97 55.73 1vqb s LYS 7 Cb -0.17 -2.02 1.36 0.00 -1.68 0.00 0.00 37.83 35.32 1vqb s LYS 7 CO 0.11 -0.96 1.91 -1.35 -0.76 0.00 0.00 175.35 174.30 1vqb h PRO 8 N -0.61 0.10 0.00 -1.68 0.11 -1.98 -1.19 132.00 126.74 1vqb h PRO 8 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1vqb h PRO 8 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vqb h PRO 8 CO 0.60 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 1vqb n SER 9 N -4.36 0.00 -0.69 -2.05 3.41 -1.26 -3.61 113.62 105.06 1vqb n SER 9 Ca 0.16 -0.25 0.08 0.00 -0.26 0.00 0.00 58.87 58.60 1vqb n SER 9 Cb 0.79 -0.24 0.22 0.00 -0.26 0.00 0.00 64.21 64.73 1vqb n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vqb n GLN 10 N -1.24 2.61 0.00 4.33 6.02 -0.45 -4.74 117.38 123.92 1vqb n GLN 10 Ca 0.15 -2.69 0.12 0.00 -0.01 0.00 0.00 57.00 54.57 1vqb n GLN 10 Cb 0.20 -1.71 0.68 0.00 1.02 0.00 0.00 30.24 30.43 1vqb n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vqb n ALA 11 N -0.59 2.34 -2.53 -1.58 0.00 -1.24 -4.60 120.51 112.31 1vqb n ALA 11 Ca 0.19 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1vqb n ALA 11 Cb 0.79 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1vqb n ALA 11 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1vqb s GLN 12 N -2.12 1.85 0.29 0.00 -1.52 -1.26 -4.86 119.66 112.04 1vqb s GLN 12 Ca 0.33 -1.82 0.10 0.00 -1.95 0.00 0.00 55.36 52.02 1vqb s GLN 12 Cb 0.16 -1.79 -0.05 0.00 -0.22 0.00 0.00 33.01 31.11 1vqb s GLN 12 CO 0.29 0.21 -0.06 -0.59 -0.25 0.00 0.00 175.29 174.89 1vqb s PHE 13 N -2.54 2.52 0.32 0.91 -0.12 -1.26 -4.64 117.98 113.16 1vqb s PHE 13 Ca 0.32 -0.32 0.09 0.00 -0.05 0.00 0.00 56.93 56.97 1vqb s PHE 13 Cb -0.01 -1.21 -0.05 0.00 -0.63 0.00 0.00 43.02 41.12 1vqb s PHE 13 CO 0.17 0.61 0.01 0.95 -0.05 0.00 0.00 175.22 176.91 1vqb s THR 14 N -2.44 2.83 -0.08 -4.49 -4.23 -0.45 -4.92 115.64 101.86 1vqb s THR 14 Ca 0.32 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1vqb s THR 14 Cb -0.04 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1vqb s THR 14 CO 0.18 -0.25 -0.17 -0.89 -0.54 0.00 0.00 174.62 172.95 1vqb s THR 15 N -2.47 1.54 0.12 3.99 2.01 -1.26 -0.65 115.64 118.92 1vqb s THR 15 Ca 0.34 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.69 1vqb s THR 15 Cb -0.02 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1vqb s THR 15 CO 0.20 0.44 -0.02 0.00 -0.69 0.00 0.00 174.62 174.54 1vqb s ARG 16 N 0.53 2.40 0.17 4.92 1.70 -0.25 -4.95 118.95 123.47 1vqb s ARG 16 Ca -0.16 -0.96 -0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1vqb s ARG 16 Cb -0.17 -2.43 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 1vqb s ARG 16 CO 0.06 0.51 0.07 -1.12 -1.08 0.00 0.00 175.30 173.73 1vqb s SER 17 N -2.48 0.59 0.00 -2.89 0.01 -1.26 -0.61 113.70 107.06 1vqb s SER 17 Ca 0.25 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1vqb s SER 17 Cb -0.11 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1vqb s SER 17 CO 0.17 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1vqb n GLY 18 N -0.21 -1.11 2.99 3.44 0.00 -1.07 -5.02 105.19 104.20 1vqb n GLY 18 Ca -0.03 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 1vqb n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vqb s VAL 19 N -3.00 1.00 1.10 1.61 1.01 -1.26 -1.42 120.40 119.44 1vqb s VAL 19 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1vqb s VAL 19 Cb 0.00 -0.94 0.25 0.00 0.00 0.00 0.00 36.38 35.69 1vqb s VAL 19 CO 0.00 0.33 1.05 -0.94 0.00 0.00 0.00 175.10 175.54 1vqb s SER 20 N 0.77 1.55 0.35 3.32 1.04 0.25 -4.88 113.70 116.10 1vqb s SER 20 Ca -0.13 1.52 0.11 0.00 0.48 0.00 0.00 55.95 57.93 1vqb s SER 20 Cb -0.15 -2.24 0.90 0.00 0.10 0.00 0.00 66.02 64.62 1vqb s SER 20 CO 0.02 -3.85 1.80 0.08 0.98 0.00 0.00 173.24 172.27 1vqb h ARG 21 N -2.38 0.59 -0.54 4.02 -0.00 -2.01 -2.02 114.38 112.03 1vqb h ARG 21 Ca -0.58 -0.04 -0.31 0.00 -0.00 0.00 0.00 59.98 59.05 1vqb h ARG 21 Cb 1.32 -0.13 -0.19 0.00 -0.00 0.00 0.00 29.97 30.98 1vqb h ARG 21 CO 0.51 0.39 0.03 0.00 -0.00 0.00 0.00 179.97 180.90 1vqb n GLN 22 N -4.68 2.14 0.00 0.08 10.64 -1.26 -4.98 117.38 119.32 1vqb n GLN 22 Ca 0.23 -3.28 0.00 0.00 -1.83 0.00 0.00 57.00 52.12 1vqb n GLN 22 Cb 0.66 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 1vqb n GLN 22 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1vqb n GLY 23 N -1.07 2.65 3.74 2.61 0.00 -0.76 -5.08 105.19 107.28 1vqb n GLY 23 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1vqb n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vqb s LYS 24 N -0.97 4.35 0.48 1.61 2.20 -1.26 -4.67 119.74 121.48 1vqb s LYS 24 Ca 0.00 2.13 -0.23 0.00 -0.36 0.00 0.00 55.97 57.52 1vqb s LYS 24 Cb 0.00 -3.17 -0.07 0.00 -1.51 0.00 0.00 37.83 33.08 1vqb s LYS 24 CO 0.00 -0.31 1.23 -2.14 -0.36 0.00 0.00 175.35 173.76 1vqb s PRO 25 N -0.13 3.59 0.08 4.03 0.02 -1.26 -0.58 135.00 140.75 1vqb s PRO 25 Ca 0.58 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.54 1vqb s PRO 25 Cb -0.38 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 1vqb s PRO 25 CO 0.39 -0.73 -0.06 1.52 -0.33 0.00 0.00 177.00 177.79 1vqb s TYR 26 N -1.46 0.74 -0.01 6.54 -0.85 -0.51 -4.88 117.35 116.92 1vqb s TYR 26 Ca 0.66 -0.89 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1vqb s TYR 26 Cb -0.32 -0.46 0.02 0.00 0.38 0.00 0.00 41.96 41.58 1vqb s TYR 26 CO 0.39 -0.20 0.00 -1.12 -1.52 0.00 0.00 175.55 173.11 1vqb s SER 27 N -2.76 0.19 -0.12 -0.18 0.01 -1.26 -2.61 113.70 106.97 1vqb s SER 27 Ca 0.07 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.35 1vqb s SER 27 Cb 0.03 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.19 1vqb s SER 27 CO -0.05 -0.06 -0.19 -0.76 0.41 0.00 0.00 173.24 172.58 1vqb s LEU 28 N 0.61 1.94 -0.13 2.44 1.43 0.22 -4.98 118.68 120.21 1vqb s LEU 28 Ca -0.05 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1vqb s LEU 28 Cb -0.08 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1vqb s LEU 28 CO -0.01 0.06 0.36 0.20 0.23 0.00 0.00 176.35 177.19 1vqb s ASN 29 N 0.86 6.55 -0.03 2.29 0.02 -1.26 -1.09 114.94 122.28 1vqb s ASN 29 Ca -0.08 0.65 0.06 0.00 -1.02 0.00 0.00 52.86 52.48 1vqb s ASN 29 Cb -0.15 -2.22 -0.01 0.00 0.02 0.00 0.00 41.25 38.88 1vqb s ASN 29 CO -0.01 0.09 -0.21 -1.61 0.02 0.00 0.00 177.10 175.38 1vqb s GLU 30 N 0.37 1.85 0.07 -0.60 2.02 0.18 -1.00 118.70 121.59 1vqb s GLU 30 Ca 0.20 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.49 1vqb s GLU 30 Cb -0.14 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1vqb s GLU 30 CO 0.07 0.40 -0.13 -1.14 0.02 0.00 0.00 175.26 174.47 1vqb s GLN 31 N -0.33 0.79 0.15 1.61 0.74 0.13 -1.34 119.66 121.41 1vqb s GLN 31 Ca 0.04 -0.91 0.02 0.00 0.05 0.00 0.00 55.36 54.55 1vqb s GLN 31 Cb -0.10 -0.77 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 1vqb s GLN 31 CO 0.00 0.17 0.30 -0.51 -0.55 0.00 0.00 175.29 174.70 1vqb s LEU 32 N -1.67 4.32 0.28 3.68 1.43 -1.26 -0.59 118.68 124.87 1vqb s LEU 32 Ca -0.03 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 1vqb s LEU 32 Cb -0.10 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1vqb s LEU 32 CO 0.02 0.04 0.53 0.00 0.23 0.00 0.00 176.35 177.17 1vqb s TYR 34 N -3.69 2.80 -0.09 0.00 2.02 -0.24 -1.43 117.35 116.72 1vqb s TYR 34 Ca 0.22 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1vqb s TYR 34 Cb -0.02 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1vqb s TYR 34 CO 0.11 -0.10 -0.24 0.08 -1.57 0.00 0.00 175.55 173.83 1vqb s VAL 35 N 0.07 2.01 -0.46 0.71 1.01 -0.52 0.04 120.40 123.27 1vqb s VAL 35 Ca -0.05 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1vqb s VAL 35 Cb -0.15 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1vqb s VAL 35 CO 0.04 0.55 0.77 -0.62 0.00 0.00 0.00 175.10 175.85 1vqb s ASP 36 N 0.21 6.39 -0.21 3.32 -1.08 -0.93 -1.05 116.67 123.33 1vqb s ASP 36 Ca -0.14 -0.17 0.15 0.00 -0.52 0.00 0.00 52.55 51.87 1vqb s ASP 36 Cb -0.17 -2.38 0.71 0.00 -1.46 0.00 0.00 42.92 39.62 1vqb s ASP 36 CO 0.07 -0.92 1.62 0.18 0.52 0.00 0.00 175.17 176.65 1vqb n LEU 37 N 6.69 5.02 -0.18 -1.34 4.77 -1.26 -4.57 117.00 126.12 1vqb n LEU 37 Ca 0.02 -2.95 -0.02 0.00 -0.03 0.00 0.00 56.01 53.03 1vqb n LEU 37 Cb 0.48 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1vqb n LEU 37 CO 0.58 0.65 -0.02 0.61 -1.33 0.00 0.00 177.39 177.89 1vqb n GLY 38 N 0.22 0.57 0.25 -0.72 0.00 -1.26 -5.05 105.19 99.19 1vqb n GLY 38 Ca 0.25 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1vqb n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vqb n ASN 39 N 0.80 0.06 0.21 1.61 5.03 -1.26 -4.98 115.26 116.73 1vqb n ASN 39 Ca -0.02 -1.06 0.05 0.00 0.87 0.00 0.00 54.58 54.41 1vqb n ASN 39 Cb 0.11 -0.05 0.45 0.00 -1.02 0.00 0.00 39.78 39.28 1vqb n ASN 39 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1vqb h GLU 40 N 0.00 0.00 -4.64 3.52 5.08 -2.04 -3.43 114.58 113.08 1vqb h GLU 40 Ca -0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 1vqb h GLU 40 Cb 0.08 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.14 1vqb h GLU 40 CO 0.02 0.26 -0.72 0.71 -1.00 0.00 0.00 179.01 178.28 1vqb s TYR 41 N -4.41 0.79 0.65 4.33 2.02 -1.26 -5.15 117.35 114.32 1vqb s TYR 41 Ca -0.03 -0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 55.82 1vqb s TYR 41 Cb 0.15 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 41.22 1vqb s TYR 41 CO 0.70 -0.10 0.98 -2.30 -1.57 0.00 0.00 175.55 173.26 1vqb n PRO 42 N 0.83 0.76 -4.12 -1.71 -0.02 -1.26 -4.80 135.00 124.68 1vqb n PRO 42 Ca -0.18 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 1vqb n PRO 42 Cb 0.57 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 1vqb n PRO 42 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1vqb s VAL 43 N -1.61 4.06 0.06 -1.45 -7.23 -0.21 -4.86 120.40 109.16 1vqb s VAL 43 Ca 0.76 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 1vqb s VAL 43 Cb -0.39 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.56 1vqb s VAL 43 CO 0.47 0.10 1.15 -0.22 -0.31 0.00 0.00 175.10 176.30 1vqb s LEU 44 N -2.36 4.38 -0.03 1.32 2.96 -1.26 -1.44 118.68 122.24 1vqb s LEU 44 Ca 0.26 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 56.15 1vqb s LEU 44 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1vqb s LEU 44 CO 0.19 -0.42 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.01 1vqb s VAL 45 N 0.98 0.90 -0.02 1.68 1.01 -0.52 -4.98 120.40 119.46 1vqb s VAL 45 Ca 0.57 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1vqb s VAL 45 Cb -0.28 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1vqb s VAL 45 CO 0.29 0.28 0.61 -0.54 0.00 0.00 0.00 175.10 175.74 1vqb s LYS 46 N 0.20 4.34 -0.12 2.72 1.02 -1.26 -1.44 119.74 125.20 1vqb s LYS 46 Ca -0.04 0.75 -0.02 0.00 0.02 0.00 0.00 55.97 56.68 1vqb s LYS 46 Cb -0.09 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1vqb s LYS 46 CO 0.01 0.30 -0.06 0.42 -0.92 0.00 0.00 175.35 175.10 1vqb s ILE 47 N 0.04 3.73 -0.25 2.17 1.01 0.24 -4.99 121.20 123.15 1vqb s ILE 47 Ca 0.32 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1vqb s ILE 47 Cb -0.18 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1vqb s ILE 47 CO 0.17 0.54 0.10 -0.89 0.00 0.00 0.00 174.94 174.85 1vqb s THR 48 N -0.10 4.61 0.71 2.92 2.01 -1.26 -0.69 115.64 123.83 1vqb s THR 48 Ca 0.01 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 1vqb s THR 48 Cb -0.13 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.24 1vqb s THR 48 CO 0.03 0.34 1.07 -0.76 -0.69 0.00 0.00 174.62 174.60 1vqb s LEU 49 N 1.47 3.12 0.55 4.42 1.43 -0.17 -4.75 118.68 124.75 1vqb s LEU 49 Ca 0.06 1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 54.73 1vqb s LEU 49 Cb -0.15 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 1vqb s LEU 49 CO 0.05 -1.54 0.90 -1.81 0.23 0.00 0.00 176.35 174.19 1vqb s ASP 50 N -3.73 6.19 0.21 2.29 1.01 -1.26 -4.65 116.67 116.72 1vqb s ASP 50 Ca 0.58 1.13 -0.32 0.00 0.71 0.00 0.00 52.55 54.66 1vqb s ASP 50 Cb -0.14 -2.31 -0.14 0.00 1.01 0.00 0.00 42.92 41.34 1vqb s ASP 50 CO 0.55 -0.75 1.41 1.21 0.21 0.00 0.00 175.17 177.81 1vqb n GLU 51 N -2.51 1.91 -0.96 8.23 2.13 -1.26 -2.25 120.64 125.93 1vqb n GLU 51 Ca 0.03 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1vqb n GLU 51 Cb 0.55 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.91 1vqb n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vqb n GLY 52 N 2.44 0.44 3.75 8.31 0.00 -1.26 -5.01 105.19 113.87 1vqb n GLY 52 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1vqb n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vqb s GLN 53 N -0.51 4.08 0.90 1.61 0.74 -0.95 -5.09 119.66 120.44 1vqb s GLN 53 Ca 0.00 -0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.14 1vqb s GLN 53 Cb 0.00 -3.38 0.13 0.00 1.10 0.00 0.00 33.01 30.86 1vqb s GLN 53 CO 0.00 0.37 1.10 -1.25 -0.55 0.00 0.00 175.29 174.96 1vqb s PRO 54 N 0.14 1.17 0.40 1.67 0.04 -1.26 -4.85 135.00 132.31 1vqb s PRO 54 Ca 0.10 1.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 1vqb s PRO 54 Cb -0.11 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 1vqb s PRO 54 CO -0.00 -2.37 1.46 0.00 0.04 0.00 0.00 177.00 176.13 1vqb s ALA 55 N -2.81 3.44 0.30 8.56 0.00 -1.26 -4.96 121.76 125.03 1vqb s ALA 55 Ca 0.64 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.83 1vqb s ALA 55 Cb -0.20 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.22 1vqb s ALA 55 CO 0.58 -1.10 1.46 0.71 0.00 0.00 0.00 175.76 177.41 1vqb s TYR 56 N -1.15 2.89 0.74 0.00 2.02 -1.26 -5.02 117.35 115.56 1vqb s TYR 56 Ca 0.56 1.06 -0.12 0.00 -0.37 0.00 0.00 57.07 58.20 1vqb s TYR 56 Cb -0.45 -3.89 0.04 0.00 -0.40 0.00 0.00 41.96 37.26 1vqb s TYR 56 CO 0.60 -2.79 1.10 0.00 -1.57 0.00 0.00 175.55 172.89 1vqb s ALA 57 N -0.40 2.30 0.34 3.71 0.00 -1.26 -4.78 121.76 121.67 1vqb s ALA 57 Ca 0.57 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 1vqb s ALA 57 Cb -0.44 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.26 1vqb s ALA 57 CO 0.49 -1.63 1.18 -2.30 0.00 0.00 0.00 175.76 173.51 1vqb n PRO 58 N -3.15 1.83 -2.14 0.00 -0.02 -1.26 -4.76 135.00 125.49 1vqb n PRO 58 Ca 0.10 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1vqb n PRO 58 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1vqb n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vqb n GLY 59 N 0.93 -0.72 3.85 -1.23 0.00 -0.63 -4.95 105.19 102.44 1vqb n GLY 59 Ca 0.07 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1vqb n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vqb s LEU 60 N 0.00 4.36 0.08 0.99 1.43 -1.26 -1.33 118.68 122.96 1vqb s LEU 60 Ca 0.00 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1vqb s LEU 60 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1vqb s LEU 60 CO 0.00 0.37 0.02 -0.31 0.23 0.00 0.00 176.35 176.66 1vqb s TYR 61 N -0.80 0.63 0.41 0.29 2.02 -0.00 -2.15 117.35 117.75 1vqb s TYR 61 Ca 0.14 -1.11 0.03 0.00 -0.37 0.00 0.00 57.07 55.76 1vqb s TYR 61 Cb -0.12 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.00 1vqb s TYR 61 CO 0.03 -0.45 0.09 -0.08 -1.57 0.00 0.00 175.55 173.57 1vqb s THR 62 N -3.97 0.88 -0.13 -0.71 -1.32 -0.15 -1.34 115.64 108.90 1vqb s THR 62 Ca 0.14 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.44 1vqb s THR 62 Cb 0.08 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1vqb s THR 62 CO -0.05 0.00 0.47 -0.69 -2.21 0.00 0.00 174.62 172.14 1vqb s VAL 63 N -3.14 5.19 0.46 5.08 1.01 -1.26 -1.44 120.40 126.29 1vqb s VAL 63 Ca 0.23 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 1vqb s VAL 63 Cb 0.04 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1vqb s VAL 63 CO 0.13 0.31 0.99 -2.28 0.00 0.00 0.00 175.10 174.25 1vqb s HIS 64 N 0.72 3.17 0.47 5.22 2.46 0.50 -4.88 115.29 122.95 1vqb s HIS 64 Ca 0.25 1.59 0.18 0.00 0.47 0.00 0.00 55.06 57.56 1vqb s HIS 64 Cb -0.15 -2.94 1.18 0.00 -0.13 0.00 0.00 32.58 30.53 1vqb s HIS 64 CO 0.10 -0.45 1.98 -0.07 -2.47 0.00 0.00 174.74 173.83 1vqb h LEU 65 N 1.70 0.22 0.00 8.88 3.38 -1.98 -1.93 115.31 125.58 1vqb h LEU 65 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1vqb h LEU 65 Cb 1.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1vqb h LEU 65 CO 0.60 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 177.72 1vqb n SER 66 N -4.44 0.00 0.28 -0.43 3.41 -1.26 -2.36 113.62 108.81 1vqb n SER 66 Ca 0.10 0.19 0.17 0.00 -0.26 0.00 0.00 58.87 59.07 1vqb n SER 66 Cb 0.48 -0.28 0.68 0.00 -0.26 0.00 0.00 64.21 64.83 1vqb n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1vqb h SER 67 N 0.00 0.00 -3.15 4.04 0.02 -1.53 -3.45 113.55 109.48 1vqb h SER 67 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1vqb h SER 67 Cb 0.05 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.48 1vqb h SER 67 CO 0.00 0.01 -0.65 -0.36 -1.14 0.00 0.00 176.83 174.70 1vqb s PHE 68 N -3.67 2.99 0.11 3.45 0.08 -1.00 0.11 117.98 120.05 1vqb s PHE 68 Ca 0.01 -0.05 -0.13 0.00 0.12 0.00 0.00 56.93 56.88 1vqb s PHE 68 Cb 0.09 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1vqb s PHE 68 CO 0.55 0.50 0.33 -1.59 -0.10 0.00 0.00 175.22 174.90 1vqb s LYS 69 N -2.56 1.00 -0.09 0.44 -2.85 -0.72 -4.81 119.74 110.13 1vqb s LYS 69 Ca 0.27 -0.81 -0.23 0.00 -1.00 0.00 0.00 55.97 54.20 1vqb s LYS 69 Cb -0.11 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1vqb s LYS 69 CO 0.19 -0.37 0.70 0.08 0.10 0.00 0.00 175.35 176.05 1vqb s VAL 70 N -3.83 5.04 0.98 1.79 1.01 -1.26 -0.94 120.40 123.18 1vqb s VAL 70 Ca 0.04 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 1vqb s VAL 70 Cb 0.03 -4.03 0.22 0.00 0.00 0.00 0.00 36.38 32.59 1vqb s VAL 70 CO -0.11 0.22 1.34 -0.83 0.00 0.00 0.00 175.10 175.72 1vqb s GLY 71 N 0.86 1.81 0.08 4.51 0.00 -0.42 -4.93 107.32 109.23 1vqb s GLY 71 Ca 0.36 -1.28 0.19 0.00 0.00 0.00 0.00 44.72 43.99 1vqb s GLY 71 CO 0.17 -0.47 1.58 0.61 0.00 0.00 0.00 173.10 174.99 1vqb n GLN 72 N -3.83 0.07 -0.48 2.90 10.64 -1.26 -1.98 117.38 123.44 1vqb n GLN 72 Ca 0.16 0.28 0.10 0.00 -1.83 0.00 0.00 57.00 55.71 1vqb n GLN 72 Cb 0.59 -1.62 0.32 0.00 -0.86 0.00 0.00 30.24 28.67 1vqb n GLN 72 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1vqb n PHE 73 N -1.75 1.19 -0.82 2.61 3.72 -1.26 -4.96 117.46 116.18 1vqb n PHE 73 Ca 0.03 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1vqb n PHE 73 Cb 0.21 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1vqb n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vqb n GLY 74 N 1.12 0.83 3.96 1.37 0.00 -0.83 -5.06 105.19 106.58 1vqb n GLY 74 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1vqb n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vqb s SER 75 N -2.74 6.32 0.32 1.61 1.04 -1.26 -4.82 113.70 114.17 1vqb s SER 75 Ca 0.00 0.12 -0.27 0.00 0.48 0.00 0.00 55.95 56.28 1vqb s SER 75 Cb 0.00 -1.88 -0.09 0.00 0.10 0.00 0.00 66.02 64.14 1vqb s SER 75 CO 0.00 -0.08 1.05 -0.22 0.98 0.00 0.00 173.24 174.97 1vqb s LEU 76 N -3.93 4.40 0.17 2.42 2.96 -1.26 -1.30 118.68 122.14 1vqb s LEU 76 Ca 0.35 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.39 1vqb s LEU 76 Cb -0.09 -3.85 -0.05 0.00 0.50 0.00 0.00 46.19 42.70 1vqb s LEU 76 CO 0.30 -0.23 0.01 -0.04 -1.32 0.00 0.00 176.35 175.07 1vqb s MET 77 N -1.84 1.08 -0.11 1.98 -1.94 -0.12 -4.85 119.30 113.51 1vqb s MET 77 Ca 0.49 -1.52 -0.19 0.00 -1.71 0.00 0.00 55.69 52.76 1vqb s MET 77 Cb -0.27 -0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.36 1vqb s MET 77 CO 0.34 -0.16 0.52 0.42 -0.01 0.00 0.00 175.02 176.13 1vqb s ILE 78 N -3.73 5.16 -0.02 2.53 1.01 -1.26 -1.76 121.20 123.12 1vqb s ILE 78 Ca 0.24 1.05 -0.00 0.00 0.00 0.00 0.00 60.65 61.94 1vqb s ILE 78 Cb 0.06 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1vqb s ILE 78 CO 0.04 0.30 -0.01 -0.78 0.00 0.00 0.00 174.94 174.49 1vqb h ASP 79 N 6.77 0.00 -3.83 3.58 3.58 -0.64 -3.47 116.42 122.40 1vqb h ASP 79 Ca -0.41 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.84 1vqb h ASP 79 Cb 1.18 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.96 1vqb h ASP 79 CO 0.76 0.09 -0.60 -0.13 -2.88 0.00 0.00 179.24 176.48 1vqb s ARG 80 N -1.12 0.14 -0.36 0.28 1.81 -1.22 -5.08 118.95 113.39 1vqb s ARG 80 Ca -0.01 0.11 -0.29 0.00 -1.72 0.00 0.00 55.73 53.83 1vqb s ARG 80 Cb 0.00 0.06 -0.00 0.00 -0.45 0.00 0.00 34.95 34.56 1vqb s ARG 80 CO 0.01 -0.02 1.55 -1.17 -0.68 0.00 0.00 175.30 174.99 1vqb s LEU 81 N -0.02 3.60 -0.16 2.53 2.96 -1.26 -4.30 118.68 122.03 1vqb s LEU 81 Ca -0.01 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.95 1vqb s LEU 81 Cb -0.01 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1vqb s LEU 81 CO 0.00 -1.49 -0.06 -0.13 -1.32 0.00 0.00 176.35 173.35 1vqb s ARG 82 N 5.11 3.55 0.12 1.98 0.52 -1.26 -4.84 118.95 124.13 1vqb s ARG 82 Ca 0.68 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1vqb s ARG 82 Cb -0.18 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1vqb s ARG 82 CO 0.32 0.16 -0.01 -0.51 0.02 0.00 0.00 175.30 175.28 1vqb s LEU 83 N 0.56 3.35 0.05 2.53 1.43 -1.26 -0.37 118.68 124.96 1vqb s LEU 83 Ca -0.04 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1vqb s LEU 83 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1vqb s LEU 83 CO 0.03 0.15 -0.11 0.68 0.23 0.00 0.00 176.35 177.33 1vqb s VAL 84 N -1.43 0.79 0.34 -1.59 -7.23 -0.52 -4.80 120.40 105.95 1vqb s VAL 84 Ca 0.26 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 1vqb s VAL 84 Cb -0.11 -0.79 -0.11 0.00 0.56 0.00 0.00 36.38 35.93 1vqb s VAL 84 CO 0.18 -0.26 1.53 -2.16 -0.31 0.00 0.00 175.10 174.07 1vqb s PRO 85 N -1.51 4.12 0.00 4.82 0.04 -1.26 -0.98 135.00 140.22 1vqb s PRO 85 Ca -0.05 2.57 0.20 0.00 0.04 0.00 0.00 61.00 63.75 1vqb s PRO 85 Cb -0.09 -2.99 1.18 0.00 0.04 0.00 0.00 34.50 32.64 1vqb s PRO 85 CO 0.01 -0.57 1.57 0.00 0.04 0.00 0.00 177.00 178.05