#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg n SER 2 N 0.00 0.61 -3.68 2.55 3.41 -1.26 -4.88 113.62 110.36 1qvg n SER 2 Ca 0.00 0.57 -0.09 0.00 -0.26 0.00 0.00 58.87 59.09 1qvg n SER 2 Cb 0.00 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 1qvg n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qvg s SER 3 N -4.14 -0.36 -0.35 4.04 1.04 -1.26 -5.11 113.70 107.55 1qvg s SER 3 Ca 0.10 -0.37 0.09 0.00 0.48 0.00 0.00 55.95 56.25 1qvg s SER 3 Cb 0.13 0.64 0.45 0.00 0.10 0.00 0.00 66.02 67.34 1qvg s SER 3 CO 0.55 -1.14 1.12 -3.20 0.98 0.00 0.00 173.24 171.55 1qvg n ASN 4 N -0.40 4.08 -4.91 7.02 5.15 -1.26 -4.92 115.26 120.01 1qvg n ASN 4 Ca -0.10 -3.44 -0.27 0.00 -0.60 0.00 0.00 54.58 50.17 1qvg n ASN 4 Cb 0.62 -0.43 0.04 0.00 -0.53 0.00 0.00 39.78 39.48 1qvg n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1qvg s GLY 5 N -3.54 1.62 0.58 8.20 0.00 -1.26 -4.97 107.32 107.96 1qvg s GLY 5 Ca 0.44 -0.65 0.31 0.00 0.00 0.00 0.00 44.72 44.82 1qvg s GLY 5 CO -0.07 -0.33 2.23 -2.55 0.00 0.00 0.00 173.10 172.39 1qvg h PRO 6 N -0.35 0.00 -0.07 2.90 0.11 -2.05 -2.33 132.00 130.22 1qvg h PRO 6 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qvg h PRO 6 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qvg h PRO 6 CO 0.61 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.71 1qvg n LEU 7 N -3.74 2.40 -4.67 2.35 4.77 -1.26 -4.61 117.00 112.23 1qvg n LEU 7 Ca -0.03 -0.84 -0.49 0.00 -0.03 0.00 0.00 56.01 54.62 1qvg n LEU 7 Cb 0.11 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1qvg n LEU 7 CO 0.27 0.42 1.32 1.21 -1.33 0.00 0.00 177.39 179.29 1qvg n GLU 8 N 0.86 1.96 -2.79 3.23 0.00 -0.88 -1.35 120.64 121.68 1qvg n GLU 8 Ca 0.16 0.72 -0.14 0.00 0.00 0.00 0.00 57.16 57.90 1qvg n GLU 8 Cb 0.49 -2.50 0.03 0.00 0.00 0.00 0.00 31.44 29.46 1qvg n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1qvg n GLY 9 N 3.90 -0.05 0.01 8.31 0.00 -1.26 -4.91 105.19 111.17 1qvg n GLY 9 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1qvg n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qvg n THR 10 N -4.04 0.88 -0.26 2.61 -2.24 -0.46 -4.73 114.28 106.05 1qvg n THR 10 Ca -0.06 -0.94 0.07 0.00 -2.27 0.00 0.00 64.05 60.85 1qvg n THR 10 Cb 0.57 0.56 0.20 0.00 -2.10 0.00 0.00 70.33 69.56 1qvg n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1qvg h ARG 11 N 0.02 0.25 0.23 -0.78 2.43 -1.91 -1.37 114.38 113.24 1qvg h ARG 11 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1qvg h ARG 11 Cb 0.44 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1qvg h ARG 11 CO 0.00 0.17 -0.11 0.78 -1.51 0.00 0.00 179.97 179.30 1qvg h GLY 12 N 0.26 -0.32 1.94 2.80 0.00 -1.96 -3.29 103.07 102.51 1qvg h GLY 12 Ca 0.45 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1qvg h GLY 12 CO -0.54 -0.12 0.03 0.07 0.00 0.00 0.00 176.54 175.98 1qvg h LYS 13 N -0.40 0.00 -0.73 4.80 2.10 -1.87 -2.80 116.57 117.66 1qvg h LYS 13 Ca -0.03 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.22 1qvg h LYS 13 Cb 0.24 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.33 1qvg h LYS 13 CO 0.05 0.00 0.32 1.28 -2.00 0.00 0.00 179.45 179.10 1qvg n LEU 14 N -3.57 5.72 -4.24 7.07 4.77 -0.53 -4.83 117.00 121.39 1qvg n LEU 14 Ca -0.03 -3.80 -0.16 0.00 -0.03 0.00 0.00 56.01 52.00 1qvg n LEU 14 Cb 0.11 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 1qvg n LEU 14 CO 0.25 1.23 -0.43 -0.75 -1.33 0.00 0.00 177.39 176.36 1qvg s LYS 15 N -3.35 1.04 0.05 3.23 2.20 -1.06 -4.79 119.74 117.06 1qvg s LYS 15 Ca 0.53 -1.35 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1qvg s LYS 15 Cb 0.45 -0.74 -0.04 0.00 -1.51 0.00 0.00 37.83 36.00 1qvg s LYS 15 CO 0.05 0.12 0.06 -0.80 -0.36 0.00 0.00 175.35 174.41 1qvg s ASN 16 N -2.84 5.43 0.30 1.43 0.02 -1.26 -4.86 114.94 113.17 1qvg s ASN 16 Ca 0.13 -0.00 -0.29 0.00 -1.02 0.00 0.00 52.86 51.68 1qvg s ASN 16 Cb -0.01 -1.45 -0.10 0.00 0.02 0.00 0.00 41.25 39.71 1qvg s ASN 16 CO 0.02 0.21 1.25 -0.54 0.02 0.00 0.00 177.10 178.05 1qvg s LYS 17 N -2.13 4.44 0.28 -0.60 3.01 -1.26 -4.86 119.74 118.61 1qvg s LYS 17 Ca 0.26 2.08 0.16 0.00 -1.01 0.00 0.00 55.97 57.46 1qvg s LYS 17 Cb -0.12 -3.12 1.01 0.00 -1.01 0.00 0.00 37.83 34.60 1qvg s LYS 17 CO 0.18 -0.08 1.19 -2.30 0.51 0.00 0.00 175.35 174.85 1qvg n PRO 18 N 1.12 -0.05 0.22 -1.68 -0.02 -1.26 -0.32 135.00 133.01 1qvg n PRO 18 Ca 0.00 1.04 0.13 0.00 -2.02 0.00 0.00 63.50 62.65 1qvg n PRO 18 Cb 0.43 -1.87 0.29 0.00 -0.02 0.00 0.00 33.50 32.33 1qvg n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qvg h ARG 19 N 0.00 0.00 -0.53 -0.52 3.08 -2.05 -3.01 114.38 111.35 1qvg h ARG 19 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.69 1qvg h ARG 19 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1qvg h ARG 19 CO -0.58 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.07 1qvg n ASP 20 N -2.99 3.08 -4.56 7.04 8.00 0.56 -4.94 116.55 122.73 1qvg n ASP 20 Ca 0.04 -1.98 -0.31 0.00 0.71 0.00 0.00 54.79 53.25 1qvg n ASP 20 Cb 0.48 -0.35 0.17 0.00 -0.02 0.00 0.00 41.12 41.40 1qvg n ASP 20 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1qvg n ARG 21 N 1.19 -0.80 -0.38 -1.24 0.63 -1.14 -4.87 116.66 110.06 1qvg n ARG 21 Ca 0.19 -0.18 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1qvg n ARG 21 Cb 0.50 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.21 1qvg n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qvg n GLY 22 N 0.75 -3.12 0.47 5.14 0.00 -1.26 -4.95 105.19 102.22 1qvg n GLY 22 Ca 0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1qvg n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qvg n THR 23 N -1.72 0.02 -2.51 2.61 -1.04 -1.26 -4.91 114.28 105.46 1qvg n THR 23 Ca 0.00 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 1qvg n THR 23 Cb 0.11 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1qvg n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1qvg s SER 24 N -0.01 6.29 0.31 8.00 0.01 -1.26 -5.02 113.70 122.02 1qvg s SER 24 Ca 0.12 1.05 -0.30 0.00 1.31 0.00 0.00 55.95 58.14 1qvg s SER 24 Cb -0.17 -2.30 -0.11 0.00 0.21 0.00 0.00 66.02 63.65 1qvg s SER 24 CO 0.08 -0.61 1.57 -2.84 0.41 0.00 0.00 173.24 171.85 1qvg s PRO 25 N -4.71 4.12 0.31 12.44 0.02 -1.26 -4.93 135.00 140.99 1qvg s PRO 25 Ca 0.49 2.58 0.12 0.00 0.02 0.00 0.00 61.00 64.21 1qvg s PRO 25 Cb -0.10 -3.01 0.51 0.00 0.02 0.00 0.00 34.50 31.91 1qvg s PRO 25 CO 0.45 -0.61 1.70 -1.35 -0.33 0.00 0.00 177.00 176.86 1qvg h PRO 26 N 4.44 0.00 -0.96 5.54 0.11 -1.99 -3.31 132.00 135.83 1qvg h PRO 26 Ca -0.48 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.81 1qvg h PRO 26 Cb 1.22 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 1qvg h PRO 26 CO 0.76 0.52 -0.29 0.37 -0.21 0.00 0.00 178.00 179.15 1qvg h GLN 27 N 0.00 -0.01 0.00 1.05 5.75 -1.99 0.25 115.11 120.16 1qvg h GLN 27 Ca -0.01 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 1qvg h GLN 27 Cb 0.92 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1qvg h GLN 27 CO 0.07 -0.00 -0.57 0.07 -2.65 0.00 0.00 178.83 175.74 1qvg h ARG 28 N -0.01 0.00 0.00 1.69 0.11 -1.97 -2.71 114.38 111.50 1qvg h ARG 28 Ca 0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.50 1qvg h ARG 28 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1qvg h ARG 28 CO -0.98 0.57 0.00 0.00 0.10 0.00 0.00 179.97 179.66 1qvg n ALA 29 N -2.29 2.12 0.06 0.08 0.00 0.04 -2.55 120.51 117.97 1qvg n ALA 29 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1qvg n ALA 29 Cb 0.69 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1qvg n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qvg n VAL 30 N -1.12 0.00 -1.48 0.00 0.31 -0.99 -4.32 118.33 110.72 1qvg n VAL 30 Ca 0.12 -0.49 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 1qvg n VAL 30 Cb 0.10 1.02 0.01 0.00 -0.91 0.00 0.00 33.84 34.05 1qvg n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1qvg n GLU 31 N -0.41 0.70 -4.00 5.55 4.07 -1.06 -4.96 120.64 120.53 1qvg n GLU 31 Ca 0.01 0.25 -0.35 0.00 -0.06 0.00 0.00 57.16 57.01 1qvg n GLU 31 Cb 0.03 -1.59 -0.14 0.00 -0.06 0.00 0.00 31.44 29.68 1qvg n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1qvg s GLU 32 N -1.64 3.41 0.21 5.31 0.41 -1.26 -4.84 118.70 120.31 1qvg s GLU 32 Ca 0.63 -0.62 0.07 0.00 -0.41 0.00 0.00 54.97 54.65 1qvg s GLU 32 Cb -0.61 -2.99 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 1qvg s GLU 32 CO 0.58 -0.13 0.07 -0.06 -0.49 0.00 0.00 175.26 175.23 1qvg s PHE 33 N 1.31 2.93 0.07 1.61 0.40 -1.26 -5.12 117.98 117.92 1qvg s PHE 33 Ca 0.04 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 1qvg s PHE 33 Cb -0.14 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1qvg s PHE 33 CO -0.02 0.54 -0.05 -0.51 0.70 0.00 0.00 175.22 175.88 1qvg s ASP 34 N -3.36 4.71 0.29 1.36 1.01 -1.26 -5.06 116.67 114.35 1qvg s ASP 34 Ca 0.30 -0.23 -0.29 0.00 0.71 0.00 0.00 52.55 53.04 1qvg s ASP 34 Cb -0.08 -1.05 -0.13 0.00 1.01 0.00 0.00 42.92 42.66 1qvg s ASP 34 CO 0.21 0.21 1.21 0.47 0.21 0.00 0.00 175.17 177.49 1qvg n ASP 35 N 0.93 2.16 0.00 0.27 9.92 -1.26 -1.35 116.55 127.22 1qvg n ASP 35 Ca -0.13 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 1qvg n ASP 35 Cb 0.52 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 1qvg n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qvg n GLY 36 N 1.30 3.06 3.76 0.44 0.00 0.15 -4.98 105.19 108.93 1qvg n GLY 36 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1qvg n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvg s GLU 37 N -0.35 4.35 -0.01 1.61 2.02 -0.46 -4.68 118.70 121.17 1qvg s GLU 37 Ca 0.00 2.22 -0.25 0.00 0.02 0.00 0.00 54.97 56.96 1qvg s GLU 37 Cb 0.00 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1qvg s GLU 37 CO 0.00 -0.22 0.75 0.15 0.02 0.00 0.00 175.26 175.96 1qvg s LYS 38 N -1.52 4.47 0.01 1.61 -0.14 -1.26 -0.71 119.74 122.20 1qvg s LYS 38 Ca 0.51 1.00 0.02 0.00 -1.36 0.00 0.00 55.97 56.13 1qvg s LYS 38 Cb -0.40 -3.41 -0.01 0.00 -1.68 0.00 0.00 37.83 32.33 1qvg s LYS 38 CO 0.51 0.15 -0.06 0.14 -0.76 0.00 0.00 175.35 175.33 1qvg s VAL 39 N 0.45 0.43 -0.13 3.17 -7.23 -0.89 -2.03 120.40 114.17 1qvg s VAL 39 Ca 0.39 -0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 59.86 1qvg s VAL 39 Cb -0.19 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1qvg s VAL 39 CO 0.21 -0.08 0.42 -1.00 -0.31 0.00 0.00 175.10 174.33 1qvg s HIS 40 N -0.59 3.50 -0.28 2.82 3.76 -0.36 -1.69 115.29 122.45 1qvg s HIS 40 Ca -0.03 0.80 -0.18 0.00 -0.15 0.00 0.00 55.06 55.51 1qvg s HIS 40 Cb -0.05 -2.48 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 1qvg s HIS 40 CO -0.00 0.21 0.50 -0.51 -0.85 0.00 0.00 174.74 174.09 1qvg s LEU 41 N 0.51 4.09 -0.17 0.89 1.02 -0.58 -2.10 118.68 122.34 1qvg s LEU 41 Ca 0.23 0.42 -0.05 0.00 0.02 0.00 0.00 54.13 54.74 1qvg s LEU 41 Cb -0.14 -2.63 0.08 0.00 0.02 0.00 0.00 46.19 43.51 1qvg s LEU 41 CO 0.08 -0.31 0.33 -0.75 0.02 0.00 0.00 176.35 175.73 1qvg s LYS 42 N 2.31 0.23 0.35 1.70 2.47 -0.89 -1.49 119.74 124.42 1qvg s LYS 42 Ca 0.20 0.82 -0.28 0.00 -1.56 0.00 0.00 55.97 55.16 1qvg s LYS 42 Cb -0.16 0.02 -0.10 0.00 -1.46 0.00 0.00 37.83 36.14 1qvg s LYS 42 CO 0.10 -0.32 1.25 0.42 0.16 0.00 0.00 175.35 176.96 1qvg s ILE 43 N 2.50 2.88 -0.43 5.43 1.01 -1.26 -4.50 121.20 126.84 1qvg s ILE 43 Ca 0.01 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.34 1qvg s ILE 43 Cb -0.12 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.86 1qvg s ILE 43 CO -0.11 0.17 0.38 -0.62 0.00 0.00 0.00 174.94 174.75 1qvg s ASP 44 N -0.71 6.15 0.57 3.58 -1.08 -1.26 -4.93 116.67 118.99 1qvg s ASP 44 Ca 0.51 -0.89 0.33 0.00 -0.52 0.00 0.00 52.55 51.98 1qvg s ASP 44 Cb -0.37 -2.19 1.43 0.00 -1.46 0.00 0.00 42.92 40.33 1qvg s ASP 44 CO 0.48 -0.55 1.74 -0.65 0.52 0.00 0.00 175.17 176.71 1qvg h PRO 45 N 8.70 0.00 0.00 4.34 0.11 -1.88 0.12 132.00 143.39 1qvg h PRO 45 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 1qvg h PRO 45 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1qvg h PRO 45 CO 0.79 0.00 -0.48 0.77 -0.21 0.00 0.00 178.00 178.87 1qvg h SER 46 N 0.00 0.00 -3.31 -2.05 0.02 -1.91 -3.43 113.55 102.87 1qvg h SER 46 Ca 0.45 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.66 1qvg h SER 46 Cb 2.08 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 64.39 1qvg h SER 46 CO -0.00 0.48 -0.34 -0.69 -1.14 0.00 0.00 176.83 175.13 1qvg s VAL 47 N -3.12 5.07 0.15 2.27 1.01 0.03 -4.78 120.40 121.04 1qvg s VAL 47 Ca 0.03 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 1qvg s VAL 47 Cb 0.08 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1qvg s VAL 47 CO 0.73 -0.60 1.77 -0.65 0.00 0.00 0.00 175.10 176.36 1qvg h PRO 48 N 8.71 0.59 -7.21 2.72 0.11 -1.83 -3.43 132.00 131.66 1qvg h PRO 48 Ca -0.28 -0.06 -0.46 0.00 0.11 0.00 0.00 66.00 65.31 1qvg h PRO 48 Cb 1.11 -0.12 0.09 0.00 0.11 0.00 0.00 31.00 32.19 1qvg h PRO 48 CO 0.88 0.45 0.15 -0.80 -0.21 0.00 0.00 178.00 178.46 1qvg s ASN 49 N -5.68 4.19 0.00 -2.05 0.01 -1.26 -4.44 114.94 105.71 1qvg s ASN 49 Ca -0.13 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1qvg s ASN 49 Cb 0.11 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.71 1qvg s ASN 49 CO 0.74 -1.97 0.00 0.61 -1.51 0.00 0.00 177.10 174.96 1qvg n GLY 50 N -2.96 0.25 3.68 0.66 0.00 -1.26 -4.90 105.19 100.67 1qvg n GLY 50 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1qvg n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qvg s ARG 51 N -1.03 0.28 0.35 1.61 0.52 -1.26 -2.05 118.95 117.37 1qvg s ARG 51 Ca 0.00 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 1qvg s ARG 51 Cb 0.00 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 1qvg s ARG 51 CO 0.00 -2.80 0.12 -0.59 0.02 0.00 0.00 175.30 172.05 1qvg s PHE 52 N -3.02 1.76 0.00 -0.53 -0.12 -1.26 -4.74 117.98 110.08 1qvg s PHE 52 Ca 0.66 -1.24 -0.30 0.00 -0.05 0.00 0.00 56.93 56.00 1qvg s PHE 52 Cb -0.17 -1.08 -0.06 0.00 -0.63 0.00 0.00 43.02 41.08 1qvg s PHE 52 CO 0.57 -0.30 1.44 -1.58 -0.05 0.00 0.00 175.22 175.30 1qvg s HIS 53 N -3.37 2.76 0.30 3.49 5.65 -1.26 -4.85 115.29 118.00 1qvg s HIS 53 Ca 0.31 0.73 0.14 0.00 0.25 0.00 0.00 55.06 56.49 1qvg s HIS 53 Cb 0.05 -3.71 1.02 0.00 -1.18 0.00 0.00 32.58 28.76 1qvg s HIS 53 CO 0.16 -2.69 1.30 -2.30 -0.65 0.00 0.00 174.74 170.56 1qvg n PRO 54 N 5.50 -0.05 -0.46 2.88 -0.02 -1.26 -1.02 135.00 140.57 1qvg n PRO 54 Ca 0.14 1.16 0.40 0.00 -2.02 0.00 0.00 63.50 63.17 1qvg n PRO 54 Cb 0.43 -2.03 0.73 0.00 -0.02 0.00 0.00 33.50 32.61 1qvg n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qvg h ARG 55 N 0.00 0.06 -0.29 -0.52 3.08 -1.88 0.28 114.38 115.10 1qvg h ARG 55 Ca 0.66 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1qvg h ARG 55 Cb 1.70 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1qvg h ARG 55 CO -0.66 0.04 0.00 1.19 -1.07 0.00 0.00 179.97 179.46 1qvg n PHE 56 N -4.24 0.39 -1.97 3.04 3.72 -0.19 -4.85 117.46 113.35 1qvg n PHE 56 Ca 0.33 -0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 1qvg n PHE 56 Cb 1.47 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.98 1qvg n PHE 56 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qvg s ASP 57 N -1.21 6.64 0.00 4.37 2.15 0.99 -2.08 116.67 127.53 1qvg s ASP 57 Ca 0.27 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.75 1qvg s ASP 57 Cb 0.14 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1qvg s ASP 57 CO 0.20 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 1qvg n GLY 58 N 3.83 1.57 3.71 2.66 0.00 -0.56 -5.04 105.19 111.36 1qvg n GLY 58 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1qvg n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qvg s GLN 59 N -0.07 1.92 -0.29 1.61 -1.52 -0.88 -4.78 119.66 115.66 1qvg s GLN 59 Ca 0.00 1.86 -0.01 0.00 -1.95 0.00 0.00 55.36 55.26 1qvg s GLN 59 Cb 0.00 -1.80 0.09 0.00 -0.22 0.00 0.00 33.01 31.08 1qvg s GLN 59 CO 0.00 -2.02 0.07 0.99 -0.25 0.00 0.00 175.29 174.08 1qvg s THR 60 N -1.91 0.95 0.00 -0.19 2.01 -1.26 -1.53 115.64 113.72 1qvg s THR 60 Ca 0.76 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1qvg s THR 60 Cb -0.31 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1qvg s THR 60 CO 0.47 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 1qvg n GLY 61 N 4.83 2.85 2.92 4.40 0.00 -0.68 -4.86 105.19 114.65 1qvg n GLY 61 Ca -0.04 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 1qvg n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qvg s THR 62 N 1.49 1.20 0.15 2.61 2.01 -0.40 -2.08 115.64 120.61 1qvg s THR 62 Ca 0.00 -0.57 -0.33 0.00 0.31 0.00 0.00 61.69 61.10 1qvg s THR 62 Cb 0.00 -1.28 -0.13 0.00 0.01 0.00 0.00 72.50 71.09 1qvg s THR 62 CO 0.00 0.24 1.64 0.52 -0.69 0.00 0.00 174.62 176.33 1qvg n VAL 63 N 4.86 0.07 -3.46 3.82 0.31 0.11 -1.93 118.33 122.11 1qvg n VAL 63 Ca -0.13 -0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 63.92 1qvg n VAL 63 Cb 0.49 -1.66 -0.12 0.00 -0.91 0.00 0.00 33.84 31.63 1qvg n VAL 63 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1qvg s GLU 64 N 1.30 0.47 0.20 5.55 0.41 -0.05 0.35 118.70 126.93 1qvg s GLU 64 Ca 0.79 -1.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 1qvg s GLU 64 Cb -0.64 -1.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1qvg s GLU 64 CO 0.38 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 1qvg n GLY 65 N 4.36 -1.98 3.30 -1.39 0.00 -1.26 -4.48 105.19 103.74 1qvg n GLY 65 Ca 0.08 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 1qvg n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qvg s LYS 66 N -2.17 1.60 -0.29 1.61 -2.85 -1.26 -2.28 119.74 114.09 1qvg s LYS 66 Ca 0.00 -1.92 -0.03 0.00 -1.00 0.00 0.00 55.97 53.02 1qvg s LYS 66 Cb 0.00 0.12 0.11 0.00 -2.06 0.00 0.00 37.83 35.99 1qvg s LYS 66 CO 0.00 -0.52 0.15 -1.14 0.10 0.00 0.00 175.35 173.94 1qvg s GLN 67 N -3.73 0.22 3.94 1.78 0.74 0.64 -4.82 119.66 118.43 1qvg s GLN 67 Ca 0.38 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1qvg s GLN 67 Cb 0.04 -1.12 0.00 0.00 1.10 0.00 0.00 33.01 33.03 1qvg s GLN 67 CO 0.20 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.32 1qvg n GLY 68 N 5.19 0.43 0.10 2.59 0.00 -1.26 -2.88 105.19 109.36 1qvg n GLY 68 Ca -0.05 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1qvg n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qvg h ASP 69 N 8.85 0.34 -4.00 1.61 3.32 -2.00 -3.46 116.42 121.08 1qvg h ASP 69 Ca 0.00 -0.35 -0.54 0.00 0.02 0.00 0.00 57.03 56.17 1qvg h ASP 69 Cb 0.00 -0.11 0.19 0.00 0.22 0.00 0.00 39.33 39.63 1qvg h ASP 69 CO 0.00 1.24 0.14 0.00 -1.72 0.00 0.00 179.24 178.90 1qvg n ALA 70 N -2.49 -0.54 -2.69 3.45 0.00 -1.14 -4.84 120.51 112.26 1qvg n ALA 70 Ca -0.06 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1qvg n ALA 70 Cb 0.97 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1qvg n ALA 70 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1qvg s TYR 71 N -2.17 3.05 -0.33 0.00 1.51 0.63 -0.26 117.35 119.78 1qvg s TYR 71 Ca 0.70 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 1qvg s TYR 71 Cb -0.29 -1.59 0.08 0.00 -0.11 0.00 0.00 41.96 40.05 1qvg s TYR 71 CO 0.54 0.36 0.04 0.15 -1.11 0.00 0.00 175.55 175.53 1qvg s LYS 72 N -3.93 2.06 -0.19 -0.62 1.02 -0.97 -0.78 119.74 116.34 1qvg s LYS 72 Ca 0.37 -1.56 -0.07 0.00 0.02 0.00 0.00 55.97 54.73 1qvg s LYS 72 Cb -0.07 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1qvg s LYS 72 CO 0.26 -0.79 0.04 0.08 -0.92 0.00 0.00 175.35 174.02 1qvg s VAL 73 N 1.11 4.50 0.07 3.17 1.01 0.15 -0.87 120.40 129.54 1qvg s VAL 73 Ca 0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1qvg s VAL 73 Cb -0.20 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1qvg s VAL 73 CO -0.04 0.44 0.78 -1.81 0.00 0.00 0.00 175.10 174.47 1qvg s ASP 74 N 0.61 7.27 0.23 3.32 1.01 -0.81 0.57 116.67 128.87 1qvg s ASP 74 Ca 0.02 1.51 0.00 0.00 0.71 0.00 0.00 52.55 54.79 1qvg s ASP 74 Cb -0.13 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1qvg s ASP 74 CO 0.02 0.05 0.13 0.27 0.21 0.00 0.00 175.17 175.84 1qvg s ILE 75 N -0.29 0.20 -0.21 0.77 -4.36 0.25 -1.27 121.20 116.30 1qvg s ILE 75 Ca 0.38 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.78 1qvg s ILE 75 Cb -0.21 -2.55 0.05 0.00 1.25 0.00 0.00 42.46 41.00 1qvg s ILE 75 CO 0.24 0.00 -0.08 -0.69 0.24 0.00 0.00 174.94 174.65 1qvg s VAL 76 N -3.97 1.53 -0.62 8.37 1.01 -1.26 -0.12 120.40 125.33 1qvg s VAL 76 Ca 0.38 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1qvg s VAL 76 Cb 0.07 -1.68 0.07 0.00 0.00 0.00 0.00 36.38 34.84 1qvg s VAL 76 CO 0.13 0.08 0.90 -0.62 0.00 0.00 0.00 175.10 175.59 1qvg s ASP 77 N 1.43 6.20 1.58 3.32 -1.08 0.43 -4.79 116.67 123.76 1qvg s ASP 77 Ca -0.02 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.05 1qvg s ASP 77 Cb -0.17 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1qvg s ASP 77 CO -0.07 -1.33 0.00 0.61 0.52 0.00 0.00 175.17 174.90 1qvg n GLY 78 N 5.28 1.46 0.59 2.66 0.00 -1.26 -0.69 105.19 113.23 1qvg n GLY 78 Ca -0.04 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1qvg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvg n GLY 79 N 0.00 0.79 3.81 -0.02 0.00 -1.26 -4.98 105.19 103.52 1qvg n GLY 79 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1qvg n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qvg s LYS 80 N -1.05 3.54 0.05 1.61 2.20 0.13 -5.07 119.74 121.14 1qvg s LYS 80 Ca 0.19 -0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.34 1qvg s LYS 80 Cb 0.12 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1qvg s LYS 80 CO 0.17 0.65 0.80 -2.00 -0.36 0.00 0.00 175.35 174.61 1qvg s GLU 81 N -0.68 4.53 0.04 4.03 2.12 -1.26 0.16 118.70 127.64 1qvg s GLU 81 Ca 0.13 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.59 1qvg s GLU 81 Cb -0.12 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1qvg s GLU 81 CO 0.03 0.25 -0.04 0.15 -0.54 0.00 0.00 175.26 175.10 1qvg s LYS 82 N 0.05 0.48 -0.18 4.30 1.02 0.83 -4.88 119.74 121.36 1qvg s LYS 82 Ca 0.40 -0.90 -0.03 0.00 0.02 0.00 0.00 55.97 55.47 1qvg s LYS 82 Cb -0.21 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1qvg s LYS 82 CO 0.24 -0.05 -0.07 0.99 -0.92 0.00 0.00 175.35 175.53 1qvg s THR 83 N -2.46 3.36 -0.15 2.17 2.01 -1.26 -0.59 115.64 118.72 1qvg s THR 83 Ca -0.05 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1qvg s THR 83 Cb -0.03 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 1qvg s THR 83 CO -0.04 0.47 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.57 1qvg s ILE 84 N 0.89 2.68 -0.61 1.82 1.01 0.19 -4.92 121.20 122.26 1qvg s ILE 84 Ca -0.02 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 1qvg s ILE 84 Cb -0.15 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.26 1qvg s ILE 84 CO 0.01 0.52 0.93 -0.63 0.00 0.00 0.00 174.94 175.76 1qvg s ILE 85 N 0.69 4.39 0.02 2.92 -1.09 -1.26 0.29 121.20 127.16 1qvg s ILE 85 Ca -0.08 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1qvg s ILE 85 Cb -0.16 -4.61 -0.01 0.00 -1.58 0.00 0.00 42.46 36.10 1qvg s ILE 85 CO 0.02 -1.30 -0.05 0.54 -1.23 0.00 0.00 174.94 172.91 1qvg s VAL 86 N 3.90 0.39 0.46 2.92 0.11 0.04 -4.65 120.40 123.56 1qvg s VAL 86 Ca 0.24 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.66 1qvg s VAL 86 Cb -0.16 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1qvg s VAL 86 CO 0.13 -0.13 0.77 0.42 -3.33 0.00 0.00 175.10 172.96 1qvg s THR 87 N -0.68 4.89 0.39 5.04 -4.23 -0.87 -0.27 115.64 119.92 1qvg s THR 87 Ca -0.04 0.26 0.13 0.00 -1.18 0.00 0.00 61.69 60.86 1qvg s THR 87 Cb -0.05 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.29 1qvg s THR 87 CO -0.00 -0.77 1.88 0.00 -0.54 0.00 0.00 174.62 175.18 1qvg h ALA 88 N 0.46 1.99 -1.61 3.99 0.00 -1.86 -1.58 119.26 120.66 1qvg h ALA 88 Ca -0.47 0.01 0.48 0.00 0.00 0.00 0.00 54.91 54.93 1qvg h ALA 88 Cb 1.20 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1qvg h ALA 88 CO 0.62 -0.24 1.13 0.00 0.00 0.00 0.00 179.25 180.77 1qvg h ALA 89 N 1.62 3.39 -0.44 0.00 0.00 -1.75 0.66 119.26 122.73 1qvg h ALA 89 Ca 0.44 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 1qvg h ALA 89 Cb 0.87 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1qvg h ALA 89 CO -0.18 -1.91 0.07 0.72 0.00 0.00 0.00 179.25 177.95 1qvg n HIS 90 N -4.18 1.46 -4.22 0.00 -0.00 -0.59 -4.66 115.22 103.02 1qvg n HIS 90 Ca 0.38 -1.22 -0.17 0.00 -0.00 0.00 0.00 57.72 56.71 1qvg n HIS 90 Cb 1.66 -0.49 -0.11 0.00 -0.00 0.00 0.00 29.99 31.05 1qvg n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1qvg s LEU 91 N -3.02 2.40 0.02 2.41 1.43 0.23 -2.10 118.68 120.05 1qvg s LEU 91 Ca 0.47 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1qvg s LEU 91 Cb 0.39 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 1qvg s LEU 91 CO 0.07 -0.18 -0.03 -0.13 0.23 0.00 0.00 176.35 176.32 1qvg s ARG 92 N -2.67 0.27 0.19 1.70 1.81 -0.89 -4.95 118.95 114.41 1qvg s ARG 92 Ca 0.07 -0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 1qvg s ARG 92 Cb -0.04 0.09 -0.08 0.00 -0.45 0.00 0.00 34.95 34.47 1qvg s ARG 92 CO 0.02 -0.04 1.04 1.03 -0.68 0.00 0.00 175.30 176.67 1qvg s ARG 93 N -1.27 4.68 0.32 3.54 0.52 -1.26 -1.23 118.95 124.25 1qvg s ARG 93 Ca -0.14 1.63 -0.27 0.00 -0.52 0.00 0.00 55.73 56.43 1qvg s ARG 93 Cb -0.09 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 1qvg s ARG 93 CO -0.01 0.22 1.03 -1.14 0.02 0.00 0.00 175.30 175.42 1qvg s GLN 94 N -0.62 4.49 0.00 3.54 0.74 -0.86 -4.83 119.66 122.12 1qvg s GLN 94 Ca 0.46 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.44 1qvg s GLN 94 Cb -0.28 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1qvg s GLN 94 CO 0.34 0.14 0.00 0.39 -0.55 0.00 0.00 175.29 175.62