#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s TRP 2 N 0.00 3.39 0.12 0.66 1.48 -1.26 -5.07 118.94 118.26 1qvg s TRP 2 Ca 0.00 1.40 -0.06 0.00 -1.06 0.00 0.00 56.10 56.38 1qvg s TRP 2 Cb 0.00 -2.67 -0.06 0.00 -1.16 0.00 0.00 33.47 29.58 1qvg s TRP 2 CO 0.00 0.05 0.38 -0.51 -4.06 0.00 0.00 176.95 172.81 1qvg s ASP 3 N -2.16 6.53 -0.02 -2.66 1.01 -1.26 -5.04 116.67 113.08 1qvg s ASP 3 Ca 0.56 0.65 -0.24 0.00 0.71 0.00 0.00 52.55 54.23 1qvg s ASP 3 Cb -0.11 -2.12 -0.18 0.00 1.01 0.00 0.00 42.92 41.53 1qvg s ASP 3 CO 0.16 0.09 1.16 0.58 0.21 0.00 0.00 175.17 177.37 1qvg h VAL 4 N 2.31 1.02 -3.34 -1.27 2.07 -1.97 -3.40 116.25 111.68 1qvg h VAL 4 Ca -0.47 -0.95 -0.57 0.00 0.82 0.00 0.00 66.70 65.53 1qvg h VAL 4 Cb 1.17 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1qvg h VAL 4 CO 0.70 0.22 0.00 -0.63 0.02 0.00 0.00 177.57 177.88 1qvg s ILE 5 N -4.19 5.03 -0.23 4.57 1.01 -1.26 -1.89 121.20 124.23 1qvg s ILE 5 Ca -0.14 1.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.62 1qvg s ILE 5 Cb 0.02 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 1qvg s ILE 5 CO 0.58 0.33 -0.24 0.29 0.00 0.00 0.00 174.94 175.90 1qvg n LYS 6 N 3.38 0.56 -3.62 2.79 5.02 0.05 -4.93 118.16 121.41 1qvg n LYS 6 Ca -0.04 0.33 -0.03 0.00 -2.02 0.00 0.00 58.31 56.54 1qvg n LYS 6 Cb 0.51 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 1qvg n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1qvg s HIS 7 N -2.55 -0.08 0.09 2.13 -3.43 -1.10 -5.00 115.29 105.35 1qvg s HIS 7 Ca -0.33 0.05 -0.31 0.00 -0.80 0.00 0.00 55.06 53.67 1qvg s HIS 7 Cb 0.10 0.51 -0.07 0.00 -1.43 0.00 0.00 32.58 31.68 1qvg s HIS 7 CO 0.47 -0.12 1.31 -2.14 -2.00 0.00 0.00 174.74 172.26 1qvg s PRO 8 N -2.25 4.37 -0.73 -0.38 0.02 -1.26 -0.59 135.00 134.18 1qvg s PRO 8 Ca 0.10 1.95 -0.23 0.00 0.02 0.00 0.00 61.00 62.84 1qvg s PRO 8 Cb -0.01 -3.29 0.06 0.00 0.02 0.00 0.00 34.50 31.29 1qvg s PRO 8 CO -0.04 -0.36 1.10 -1.58 -0.33 0.00 0.00 177.00 175.79 1qvg s HIS 9 N 1.09 2.59 -0.42 6.54 2.46 0.56 -4.81 115.29 123.30 1qvg s HIS 9 Ca 0.62 -0.51 -0.14 0.00 0.47 0.00 0.00 55.06 55.51 1qvg s HIS 9 Cb -0.34 -4.41 0.04 0.00 -0.13 0.00 0.00 32.58 27.74 1qvg s HIS 9 CO 0.30 -1.78 0.30 0.54 -2.47 0.00 0.00 174.74 171.63 1qvg s VAL 10 N 4.47 4.98 0.18 0.89 0.11 -1.26 -4.60 120.40 125.17 1qvg s VAL 10 Ca 0.28 -0.88 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 1qvg s VAL 10 Cb -0.12 -3.85 -0.02 0.00 -1.53 0.00 0.00 36.38 30.86 1qvg s VAL 10 CO 0.08 -0.38 0.26 0.42 -3.33 0.00 0.00 175.10 172.15 1qvg s THR 11 N 1.61 0.04 0.21 5.04 -4.23 -1.26 -5.00 115.64 112.06 1qvg s THR 11 Ca 0.04 -1.59 -0.10 0.00 -1.18 0.00 0.00 61.69 58.86 1qvg s THR 11 Cb -0.21 -2.08 0.16 0.00 1.34 0.00 0.00 72.50 71.72 1qvg s THR 11 CO 0.08 -0.20 1.71 -0.33 -0.54 0.00 0.00 174.62 175.33 1qvg h GLU 12 N 2.55 0.26 -0.39 3.99 3.07 -1.99 0.13 114.58 122.20 1qvg h GLU 12 Ca -0.32 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.45 1qvg h GLU 12 Cb 1.23 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 1qvg h GLU 12 CO 0.48 0.17 -0.06 -0.22 -1.40 0.00 0.00 179.01 177.99 1qvg h LYS 13 N 0.26 0.65 -0.59 2.33 3.64 -1.99 -1.60 116.57 119.27 1qvg h LYS 13 Ca 0.32 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1qvg h LYS 13 Cb 0.47 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1qvg h LYS 13 CO -0.40 0.70 0.18 0.00 -2.27 0.00 0.00 179.45 177.66 1qvg h ALA 14 N 1.34 0.78 0.10 5.00 0.00 -1.33 -2.57 119.26 122.58 1qvg h ALA 14 Ca 0.12 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1qvg h ALA 14 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1qvg h ALA 14 CO 0.02 0.45 -0.20 0.52 0.00 0.00 0.00 179.25 180.04 1qvg h MET 15 N 0.84 -0.36 -0.89 0.00 2.86 -0.16 -1.94 114.93 115.29 1qvg h MET 15 Ca 0.19 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 58.03 1qvg h MET 15 Cb 0.29 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 1qvg h MET 15 CO -0.01 -0.24 0.58 -0.91 1.06 0.00 0.00 176.91 177.40 1qvg h ASN 16 N -0.37 0.54 0.03 1.22 2.35 -1.09 0.23 115.58 118.49 1qvg h ASN 16 Ca 0.03 0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1qvg h ASN 16 Cb 0.39 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1qvg h ASN 16 CO -0.11 0.24 -0.55 0.44 -1.65 0.00 0.00 177.43 175.80 1qvg h ASP 17 N 0.55 0.62 -0.09 5.81 5.19 -1.04 -0.06 116.42 127.39 1qvg h ASP 17 Ca 0.46 -0.33 -0.10 0.00 -0.62 0.00 0.00 57.03 56.44 1qvg h ASP 17 Cb 0.94 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1qvg h ASP 17 CO -0.20 1.05 -0.34 -0.03 -3.12 0.00 0.00 179.24 176.59 1qvg h MET 18 N 0.43 0.40 -0.09 3.56 4.05 -0.14 0.18 114.93 123.31 1qvg h MET 18 Ca 0.01 -0.30 -0.09 0.00 -0.28 0.00 0.00 59.70 59.03 1qvg h MET 18 Cb 1.10 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1qvg h MET 18 CO 0.10 0.93 -0.30 -0.44 0.23 0.00 0.00 176.91 177.44 1qvg h ASP 19 N -0.06 0.41 0.60 1.39 3.32 -0.69 -3.07 116.42 118.33 1qvg h ASP 19 Ca -0.02 -0.61 -0.16 0.00 0.02 0.00 0.00 57.03 56.26 1qvg h ASP 19 Cb 0.98 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1qvg h ASP 19 CO 0.07 0.96 -1.52 0.49 -1.72 0.00 0.00 179.24 177.52 1qvg n PHE 20 N -4.44 0.82 -0.11 4.55 0.99 -0.04 -4.56 117.46 114.68 1qvg n PHE 20 Ca -0.08 0.27 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 1qvg n PHE 20 Cb 0.48 -1.03 0.00 0.00 -1.00 0.00 0.00 39.48 37.93 1qvg n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1qvg n GLN 21 N -2.81 -0.81 -3.16 -1.08 6.02 0.48 -5.01 117.38 111.01 1qvg n GLN 21 Ca -0.11 -0.46 -0.14 0.00 -0.01 0.00 0.00 57.00 56.28 1qvg n GLN 21 Cb 0.83 -0.94 0.07 0.00 1.02 0.00 0.00 30.24 31.22 1qvg n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1qvg n ASN 22 N -0.01 -2.80 -4.18 1.08 5.15 -0.31 -4.81 115.26 109.37 1qvg n ASN 22 Ca 0.00 -0.54 -0.25 0.00 -0.60 0.00 0.00 54.58 53.19 1qvg n ASN 22 Cb 0.03 -4.41 -0.15 0.00 -0.53 0.00 0.00 39.78 34.72 1qvg n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1qvg s LYS 23 N -4.95 1.48 -0.11 1.20 1.02 -0.72 -1.36 119.74 116.31 1qvg s LYS 23 Ca 0.08 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.43 1qvg s LYS 23 Cb -0.01 -1.43 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1qvg s LYS 23 CO 0.62 0.39 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.76 1qvg s LEU 24 N -0.44 2.53 -0.16 3.17 1.43 0.23 -2.61 118.68 122.83 1qvg s LEU 24 Ca 0.07 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1qvg s LEU 24 Cb -0.07 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1qvg s LEU 24 CO -0.01 0.20 0.00 -1.10 0.23 0.00 0.00 176.35 175.67 1qvg s GLN 25 N 0.16 3.71 0.15 1.70 -0.21 -1.26 -0.07 119.66 123.84 1qvg s GLN 25 Ca -0.09 -0.44 0.06 0.00 0.02 0.00 0.00 55.36 54.91 1qvg s GLN 25 Cb -0.15 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 1qvg s GLN 25 CO 0.06 0.31 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.33 1qvg s PHE 26 N 0.22 1.50 -0.35 0.91 0.40 0.34 -0.32 117.98 120.68 1qvg s PHE 26 Ca 0.00 -0.58 -0.15 0.00 -0.60 0.00 0.00 56.93 55.60 1qvg s PHE 26 Cb -0.13 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 1qvg s PHE 26 CO 0.02 0.20 0.35 0.00 0.70 0.00 0.00 175.22 176.49 1qvg s ALA 27 N -2.51 3.49 0.25 5.36 0.00 0.25 -0.91 121.76 127.69 1qvg s ALA 27 Ca 0.14 -1.26 0.12 0.00 0.00 0.00 0.00 51.96 50.95 1qvg s ALA 27 Cb -0.03 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1qvg s ALA 27 CO 0.04 -1.09 -0.21 0.14 0.00 0.00 0.00 175.76 174.64 1qvg s VAL 28 N 1.97 2.39 0.29 0.00 -7.23 -0.00 -0.77 120.40 117.04 1qvg s VAL 28 Ca 0.11 -2.27 -0.30 0.00 -1.81 0.00 0.00 61.98 57.71 1qvg s VAL 28 Cb -0.17 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.44 1qvg s VAL 28 CO 0.12 -0.32 1.50 -0.62 -0.31 0.00 0.00 175.10 175.46 1qvg s ASP 29 N -3.22 6.51 0.00 4.85 -1.08 -0.79 -3.02 116.67 119.91 1qvg s ASP 29 Ca 0.26 2.83 0.06 0.00 -0.52 0.00 0.00 52.55 55.18 1qvg s ASP 29 Cb -0.06 -2.63 0.28 0.00 -1.46 0.00 0.00 42.92 39.05 1qvg s ASP 29 CO 0.13 -0.80 1.10 -0.90 0.52 0.00 0.00 175.17 175.22 1qvg n ASP 30 N 1.97 0.00 -0.48 -0.34 5.75 -1.26 -1.54 116.55 120.65 1qvg n ASP 30 Ca 0.06 0.32 0.12 0.00 -0.01 0.00 0.00 54.79 55.29 1qvg n ASP 30 Cb 0.39 -0.37 0.25 0.00 -1.03 0.00 0.00 41.12 40.36 1qvg n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qvg n ARG 31 N -1.37 1.36 -2.96 0.11 1.74 -1.26 -4.90 116.66 109.38 1qvg n ARG 31 Ca 0.02 -0.97 -0.40 0.00 -0.77 0.00 0.00 57.85 55.73 1qvg n ARG 31 Cb 0.06 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 1qvg n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qvg s ALA 32 N -2.31 3.32 0.80 7.54 0.00 -0.59 -5.07 121.76 125.44 1qvg s ALA 32 Ca 0.26 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.39 1qvg s ALA 32 Cb 0.19 -3.04 0.11 0.00 0.00 0.00 0.00 23.12 20.38 1qvg s ALA 32 CO 0.46 -0.06 1.13 -1.54 0.00 0.00 0.00 175.76 175.75 1qvg s SER 33 N 0.50 4.23 0.19 0.00 1.04 -1.26 -4.86 113.70 113.54 1qvg s SER 33 Ca 0.41 0.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.10 1qvg s SER 33 Cb -0.19 -0.79 0.12 0.00 0.10 0.00 0.00 66.02 65.25 1qvg s SER 33 CO 0.22 -2.01 1.80 0.11 0.98 0.00 0.00 173.24 174.35 1qvg h LYS 34 N -0.97 0.95 -0.79 4.02 1.57 -1.97 -1.24 116.57 118.14 1qvg h LYS 34 Ca -0.44 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1qvg h LYS 34 Cb 1.29 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1qvg h LYS 34 CO 0.53 0.72 0.50 0.78 -0.57 0.00 0.00 179.45 181.40 1qvg h GLY 35 N 0.93 1.13 0.99 3.86 0.00 -1.96 0.16 103.07 108.17 1qvg h GLY 35 Ca 0.24 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1qvg h GLY 35 CO -0.04 0.44 0.05 0.83 0.00 0.00 0.00 176.54 177.82 1qvg h GLU 36 N 1.07 0.82 -0.96 4.80 5.08 -1.86 -1.09 114.58 122.44 1qvg h GLU 36 Ca 0.28 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1qvg h GLU 36 Cb -0.08 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 1qvg h GLU 36 CO -0.06 0.84 0.63 0.28 -1.00 0.00 0.00 179.01 179.71 1qvg h VAL 37 N 0.69 1.21 0.53 3.13 2.07 -0.73 -1.23 116.25 121.92 1qvg h VAL 37 Ca 0.14 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1qvg h VAL 37 Cb 0.44 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1qvg h VAL 37 CO 0.02 0.23 -0.26 0.00 0.02 0.00 0.00 177.57 177.58 1qvg h ALA 38 N 1.37 -0.72 0.68 1.67 0.00 -0.14 -2.40 119.26 119.72 1qvg h ALA 38 Ca 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1qvg h ALA 38 Cb -0.08 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qvg h ALA 38 CO -0.10 -0.85 -0.50 -0.44 0.00 0.00 0.00 179.25 177.36 1qvg h ASP 39 N -0.81 -1.31 -0.94 0.00 3.32 -1.03 -1.73 116.42 113.91 1qvg h ASP 39 Ca -0.07 0.09 0.28 0.00 0.02 0.00 0.00 57.03 57.35 1qvg h ASP 39 Cb 0.59 0.40 -0.16 0.00 0.22 0.00 0.00 39.33 40.38 1qvg h ASP 39 CO 0.12 -0.73 0.26 0.00 -1.72 0.00 0.00 179.24 177.17 1qvg h ALA 40 N -1.04 1.45 -0.19 3.45 0.00 -1.28 0.45 119.26 122.10 1qvg h ALA 40 Ca -0.09 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1qvg h ALA 40 Cb 0.94 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1qvg h ALA 40 CO 0.04 -0.59 0.02 0.28 0.00 0.00 0.00 179.25 179.00 1qvg h VAL 41 N 0.13 1.23 -0.64 0.00 2.07 -1.05 -0.63 116.25 117.36 1qvg h VAL 41 Ca 0.63 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1qvg h VAL 41 Cb 1.39 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1qvg h VAL 41 CO -0.75 0.23 0.38 -0.33 0.02 0.00 0.00 177.57 177.12 1qvg h GLU 42 N 0.10 0.87 -0.36 1.57 5.08 -0.07 -1.82 114.58 119.94 1qvg h GLU 42 Ca 0.06 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1qvg h GLU 42 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1qvg h GLU 42 CO 0.01 0.64 -0.26 0.93 -1.00 0.00 0.00 179.01 179.33 1qvg h GLU 43 N 0.87 0.74 0.00 2.33 5.08 -1.06 0.59 114.58 123.13 1qvg h GLU 43 Ca 0.23 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 1qvg h GLU 43 Cb -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1qvg h GLU 43 CO -0.04 0.92 -0.64 1.96 -1.00 0.00 0.00 179.01 180.21 1qvg h GLN 44 N 0.64 0.00 0.00 2.33 1.08 -0.90 -3.35 115.11 114.91 1qvg h GLN 44 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1qvg h GLN 44 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1qvg h GLN 44 CO 0.06 0.64 0.00 0.66 -0.95 0.00 0.00 178.83 179.24 1qvg n TYR 45 N -3.49 0.00 -3.22 2.96 4.02 -0.70 -5.05 117.16 111.67 1qvg n TYR 45 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 1qvg n TYR 45 Cb 0.70 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.03 1qvg n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1qvg n ASP 46 N -0.06 -7.11 -1.50 7.72 -0.08 0.21 -5.03 116.55 110.69 1qvg n ASP 46 Ca 0.00 -0.32 -0.04 0.00 -1.51 0.00 0.00 54.79 52.92 1qvg n ASP 46 Cb 0.03 -4.64 -0.02 0.00 2.34 0.00 0.00 41.12 38.83 1qvg n ASP 46 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1qvg n VAL 47 N -2.16 0.00 -4.06 5.18 0.24 -1.16 -5.06 118.33 111.31 1qvg n VAL 47 Ca -0.06 -0.54 -0.32 0.00 -2.04 0.00 0.00 64.34 61.38 1qvg n VAL 47 Cb 0.55 0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 33.04 1qvg n VAL 47 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1qvg s THR 48 N -2.32 2.23 -0.17 3.34 2.01 -1.26 -4.71 115.64 114.75 1qvg s THR 48 Ca 0.09 -1.67 -0.26 0.00 0.31 0.00 0.00 61.69 60.16 1qvg s THR 48 Cb 0.00 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1qvg s THR 48 CO 0.06 -0.07 0.89 -0.69 -0.69 0.00 0.00 174.62 174.12 1qvg s VAL 49 N 1.10 4.83 -0.18 3.82 1.01 -1.26 -0.88 120.40 128.83 1qvg s VAL 49 Ca -0.07 1.75 -0.19 0.00 0.00 0.00 0.00 61.98 63.47 1qvg s VAL 49 Cb -0.20 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 1qvg s VAL 49 CO -0.05 -0.02 0.31 -0.33 0.00 0.00 0.00 175.10 175.02 1qvg h GLU 50 N 7.35 0.07 -3.25 2.72 4.39 -0.79 -3.46 114.58 121.60 1qvg h GLU 50 Ca -0.27 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 1qvg h GLU 50 Cb 1.12 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 29.65 1qvg h GLU 50 CO 0.87 1.06 -0.22 -1.14 -1.16 0.00 0.00 179.01 178.41 1qvg s GLN 51 N -2.40 0.83 -0.04 2.33 0.74 -1.12 -5.00 119.66 115.01 1qvg s GLN 51 Ca -0.26 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 54.68 1qvg s GLN 51 Cb 0.05 0.36 0.03 0.00 1.10 0.00 0.00 33.01 34.55 1qvg s GLN 51 CO 0.65 -0.27 -0.01 0.08 -0.55 0.00 0.00 175.29 175.19 1qvg s VAL 52 N -2.53 0.27 -0.04 1.34 1.01 -1.26 -0.57 120.40 118.62 1qvg s VAL 52 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1qvg s VAL 52 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1qvg s VAL 52 CO -0.03 0.17 -0.20 0.20 0.00 0.00 0.00 175.10 175.24 1qvg s ASN 53 N 1.07 3.50 0.32 3.32 0.01 0.11 -4.95 114.94 118.33 1qvg s ASN 53 Ca -0.09 -0.35 0.10 0.00 -0.71 0.00 0.00 52.86 51.81 1qvg s ASN 53 Cb -0.14 -0.66 -0.06 0.00 0.41 0.00 0.00 41.25 40.80 1qvg s ASN 53 CO -0.01 0.32 -0.12 0.42 -1.51 0.00 0.00 177.10 176.19 1qvg s THR 54 N -0.57 2.36 -0.30 1.60 -4.23 -1.26 -0.04 115.64 113.21 1qvg s THR 54 Ca 0.08 -2.26 -0.12 0.00 -1.18 0.00 0.00 61.69 58.21 1qvg s THR 54 Cb -0.11 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.31 1qvg s THR 54 CO 0.00 -0.27 0.71 -1.58 -0.54 0.00 0.00 174.62 172.94 1qvg s GLN 55 N -3.58 0.57 -0.38 3.99 0.74 -0.43 -5.00 119.66 115.57 1qvg s GLN 55 Ca 0.32 1.30 -0.27 0.00 0.05 0.00 0.00 55.36 56.76 1qvg s GLN 55 Cb -0.00 0.64 0.02 0.00 1.10 0.00 0.00 33.01 34.76 1qvg s GLN 55 CO 0.16 -0.17 0.97 -0.80 -0.55 0.00 0.00 175.29 174.90 1qvg s ASN 56 N 2.51 6.69 0.42 6.67 0.01 -1.26 -0.44 114.94 129.54 1qvg s ASN 56 Ca -0.07 0.59 -0.19 0.00 -0.71 0.00 0.00 52.86 52.48 1qvg s ASN 56 Cb -0.09 -2.49 -0.10 0.00 0.41 0.00 0.00 41.25 38.98 1qvg s ASN 56 CO -0.19 -0.93 0.90 -0.89 -1.51 0.00 0.00 177.10 174.48 1qvg s THR 57 N 3.65 4.49 -1.14 1.60 2.01 0.42 -4.93 115.64 121.73 1qvg s THR 57 Ca 0.40 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1qvg s THR 57 Cb -0.11 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1qvg s THR 57 CO 0.21 -0.35 0.27 0.23 -0.69 0.00 0.00 174.62 174.29 1qvg n MET 58 N -0.74 0.48 0.00 4.92 2.81 -1.26 -1.31 117.12 122.02 1qvg n MET 58 Ca 0.06 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.00 1qvg n MET 58 Cb 0.54 -1.20 0.01 0.00 -0.71 0.00 0.00 33.22 31.85 1qvg n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1qvg n ASP 59 N 0.15 1.44 0.00 7.83 10.43 -1.26 -4.97 116.55 130.16 1qvg n ASP 59 Ca 0.00 -1.22 0.00 0.00 2.57 0.00 0.00 54.79 56.14 1qvg n ASP 59 Cb 0.10 0.36 0.00 0.00 1.84 0.00 0.00 41.12 43.42 1qvg n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qvg n GLY 60 N 0.86 0.75 3.73 0.44 0.00 -0.43 -5.06 105.19 105.49 1qvg n GLY 60 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1qvg n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvg s GLU 61 N -0.71 2.26 -0.12 1.61 2.02 -1.25 -4.93 118.70 117.57 1qvg s GLU 61 Ca 0.00 -1.74 -0.05 0.00 0.02 0.00 0.00 54.97 53.20 1qvg s GLU 61 Cb 0.00 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1qvg s GLU 61 CO 0.00 -0.03 0.06 0.21 0.02 0.00 0.00 175.26 175.52 1qvg s LYS 62 N -3.88 3.36 -0.06 1.61 2.20 -1.17 -0.44 119.74 121.37 1qvg s LYS 62 Ca 0.40 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1qvg s LYS 62 Cb 0.01 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1qvg s LYS 62 CO 0.22 0.64 -0.13 0.21 -0.36 0.00 0.00 175.35 175.93 1qvg s LYS 63 N -0.66 2.62 -0.10 4.03 2.20 0.41 -0.82 119.74 127.42 1qvg s LYS 63 Ca 0.12 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1qvg s LYS 63 Cb -0.12 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 1qvg s LYS 63 CO 0.02 0.60 -0.16 0.00 -0.36 0.00 0.00 175.35 175.45 1qvg s ALA 64 N -0.65 1.67 -0.41 3.13 0.00 -0.09 -1.31 121.76 124.09 1qvg s ALA 64 Ca 0.10 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1qvg s ALA 64 Cb -0.11 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.29 1qvg s ALA 64 CO 0.01 0.02 0.27 0.08 0.00 0.00 0.00 175.76 176.15 1qvg s VAL 65 N 0.81 4.74 -0.20 0.00 1.01 0.95 -0.51 120.40 127.20 1qvg s VAL 65 Ca -0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1qvg s VAL 65 Cb -0.16 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1qvg s VAL 65 CO 0.01 -0.38 0.03 -0.69 0.00 0.00 0.00 175.10 174.07 1qvg s VAL 66 N 1.56 4.22 -0.19 2.92 1.01 0.90 -0.71 120.40 130.11 1qvg s VAL 66 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1qvg s VAL 66 Cb -0.21 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1qvg s VAL 66 CO 0.06 0.42 0.13 -0.60 0.00 0.00 0.00 175.10 175.11 1qvg s ARG 67 N 0.96 4.14 0.16 2.72 3.52 0.27 0.78 118.95 131.49 1qvg s ARG 67 Ca 0.02 -0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.37 1qvg s ARG 67 Cb -0.14 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1qvg s ARG 67 CO 0.02 0.33 0.38 -0.51 -0.81 0.00 0.00 175.30 174.71 1qvg s LEU 68 N 0.28 4.25 0.71 -0.88 1.43 -0.47 -0.09 118.68 123.91 1qvg s LEU 68 Ca 0.08 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 1qvg s LEU 68 Cb -0.11 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1qvg s LEU 68 CO -0.02 0.02 1.16 -0.94 0.23 0.00 0.00 176.35 176.80 1qvg s SER 69 N -2.70 4.52 0.61 2.29 1.04 -0.06 -4.74 113.70 114.66 1qvg s SER 69 Ca 0.40 2.18 0.28 0.00 0.48 0.00 0.00 55.95 59.29 1qvg s SER 69 Cb -0.12 -2.57 1.38 0.00 0.10 0.00 0.00 66.02 64.82 1qvg s SER 69 CO 0.26 -2.03 1.79 -0.33 0.98 0.00 0.00 173.24 173.91 1qvg h GLU 70 N -0.26 0.00 -0.58 4.02 5.08 -1.97 0.28 114.58 121.15 1qvg h GLU 70 Ca -0.47 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1qvg h GLU 70 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1qvg h GLU 70 CO 0.51 0.00 0.38 0.22 -1.00 0.00 0.00 179.01 179.12 1qvg h ASP 71 N 0.00 0.65 -2.77 1.42 1.82 -1.96 -3.43 116.42 112.15 1qvg h ASP 71 Ca 0.21 -0.01 -0.48 0.00 -0.39 0.00 0.00 57.03 56.35 1qvg h ASP 71 Cb 1.35 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1qvg h ASP 71 CO -0.00 0.46 -0.22 -1.81 -1.61 0.00 0.00 179.24 176.06 1qvg s ASP 72 N -5.71 6.31 -0.25 2.28 1.01 0.99 -5.10 116.67 116.21 1qvg s ASP 72 Ca -0.13 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.57 1qvg s ASP 72 Cb 0.13 -2.02 0.07 0.00 1.01 0.00 0.00 42.92 42.11 1qvg s ASP 72 CO 0.75 -0.25 -0.05 -0.62 0.21 0.00 0.00 175.17 175.21 1qvg s ASP 73 N -3.91 4.06 0.17 0.27 -1.08 -1.26 -4.71 116.67 110.21 1qvg s ASP 73 Ca 0.39 -1.33 -0.16 0.00 -0.52 0.00 0.00 52.55 50.94 1qvg s ASP 73 Cb -0.10 -1.28 0.12 0.00 -1.46 0.00 0.00 42.92 40.21 1qvg s ASP 73 CO 0.34 -0.25 1.67 0.00 0.52 0.00 0.00 175.17 177.45 1qvg h ALA 74 N 7.89 0.31 -0.89 3.66 0.00 -1.86 -1.38 119.26 127.00 1qvg h ALA 74 Ca -0.17 0.16 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1qvg h ALA 74 Cb 1.06 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1qvg h ALA 74 CO 0.43 -0.44 0.33 1.96 0.00 0.00 0.00 179.25 181.53 1qvg h GLN 75 N 0.02 0.29 -0.04 0.00 4.20 -1.94 0.12 115.11 117.76 1qvg h GLN 75 Ca 0.21 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.71 1qvg h GLN 75 Cb 0.32 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1qvg h GLN 75 CO -0.43 0.19 -0.72 0.93 -0.67 0.00 0.00 178.83 178.13 1qvg h GLU 76 N 0.30 0.55 -0.79 1.46 5.08 -1.70 -2.39 114.58 117.09 1qvg h GLU 76 Ca 0.56 -0.54 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1qvg h GLU 76 Cb 1.12 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1qvg h GLU 76 CO -0.59 1.17 0.52 0.28 -1.00 0.00 0.00 179.01 179.38 1qvg h VAL 77 N 0.14 1.17 0.00 3.13 2.07 -0.40 -2.53 116.25 119.84 1qvg h VAL 77 Ca -0.08 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1qvg h VAL 77 Cb 1.39 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1qvg h VAL 77 CO 0.14 0.19 -0.30 0.00 0.02 0.00 0.00 177.57 177.62 1qvg h ALA 78 N 1.31 0.90 0.00 1.67 0.00 -1.04 -3.23 119.26 118.87 1qvg h ALA 78 Ca 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qvg h ALA 78 Cb -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qvg h ALA 78 CO -0.08 0.38 -0.05 0.66 0.00 0.00 0.00 179.25 180.16 1qvg h SER 79 N 0.00 0.00 -0.04 0.00 4.64 -0.97 -3.04 113.55 114.14 1qvg h SER 79 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qvg h SER 79 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1qvg h SER 79 CO 0.04 0.05 0.00 -2.11 -0.87 0.00 0.00 176.83 173.94 1qvg n ARG 80 N -3.17 1.22 0.00 4.77 1.85 -1.22 -5.11 116.66 115.01 1qvg n ARG 80 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 57.85 56.52 1qvg n ARG 80 Cb 0.33 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1qvg n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06