#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg n GLU 5 N 0.00 -4.10 -3.60 0.00 1.02 -1.26 -5.02 120.64 107.69 1qvg n GLU 5 Ca 0.00 2.96 -0.28 0.00 -0.02 0.00 0.00 57.16 59.82 1qvg n GLU 5 Cb 0.00 -3.82 -0.16 0.00 -0.02 0.00 0.00 31.44 27.44 1qvg n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1qvg s PHE 6 N -0.47 0.48 -0.31 -0.32 5.36 -1.26 -5.05 117.98 116.42 1qvg s PHE 6 Ca 0.00 -0.80 -0.17 0.00 -0.96 0.00 0.00 56.93 54.99 1qvg s PHE 6 Cb 0.00 -0.93 -0.19 0.00 -0.34 0.00 0.00 43.02 41.56 1qvg s PHE 6 CO 0.00 -0.72 1.59 -0.25 -1.46 0.00 0.00 175.22 174.38 1qvg n ASP 7 N 5.20 1.65 -4.70 6.13 8.00 -1.26 -4.88 116.55 126.70 1qvg n ASP 7 Ca -0.06 -2.39 -0.42 0.00 0.71 0.00 0.00 54.79 52.63 1qvg n ASP 7 Cb 0.44 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 1qvg n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qvg s ALA 8 N 5.52 3.58 0.02 2.24 0.00 -1.26 -4.81 121.76 127.05 1qvg s ALA 8 Ca 0.45 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.63 1qvg s ALA 8 Cb 0.10 -3.57 0.72 0.00 0.00 0.00 0.00 23.12 20.38 1qvg s ALA 8 CO 0.15 -0.76 1.74 -0.44 0.00 0.00 0.00 175.76 176.45 1qvg h ASP 9 N 7.35 0.00 -3.73 0.00 3.32 -0.74 -3.44 116.42 119.18 1qvg h ASP 9 Ca -0.40 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.36 1qvg h ASP 9 Cb 1.20 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1qvg h ASP 9 CO 0.88 0.24 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.22 1qvg s VAL 10 N -3.47 0.16 -0.25 -1.35 1.01 -0.95 -4.99 120.40 110.56 1qvg s VAL 10 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1qvg s VAL 10 Cb 0.09 -0.17 0.06 0.00 0.00 0.00 0.00 36.38 36.36 1qvg s VAL 10 CO 0.66 0.07 -0.10 -0.63 0.00 0.00 0.00 175.10 175.09 1qvg s ILE 11 N 0.20 2.00 -0.13 2.22 1.01 -1.26 -2.48 121.20 122.74 1qvg s ILE 11 Ca -0.02 -1.49 -0.08 0.00 0.00 0.00 0.00 60.65 59.06 1qvg s ILE 11 Cb -0.04 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1qvg s ILE 11 CO -0.01 -0.02 0.14 -0.69 0.00 0.00 0.00 174.94 174.37 1qvg s VAL 12 N 1.19 5.48 -0.31 2.92 1.01 -0.39 0.54 120.40 130.83 1qvg s VAL 12 Ca -0.07 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1qvg s VAL 12 Cb -0.19 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1qvg s VAL 12 CO -0.06 0.58 0.19 -0.62 0.00 0.00 0.00 175.10 175.20 1qvg s ASP 13 N -0.74 5.86 0.17 3.32 -1.08 0.60 -0.32 116.67 124.48 1qvg s ASP 13 Ca 0.14 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 1qvg s ASP 13 Cb -0.12 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 39.94 1qvg s ASP 13 CO 0.03 -0.17 1.64 0.00 0.52 0.00 0.00 175.17 177.19 1qvg n ALA 14 N 5.05 2.49 -1.69 3.66 0.00 0.05 -4.64 120.51 125.44 1qvg n ALA 14 Ca -0.13 -0.10 -0.59 0.00 0.00 0.00 0.00 53.44 52.61 1qvg n ALA 14 Cb 0.50 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1qvg n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1qvg n ARG 15 N -2.18 0.82 -3.38 0.00 0.63 -1.26 -0.07 116.66 111.21 1qvg n ARG 15 Ca 0.05 0.30 -0.24 0.00 -0.92 0.00 0.00 57.85 57.03 1qvg n ARG 15 Cb 0.43 -1.92 0.03 0.00 0.45 0.00 0.00 32.46 31.45 1qvg n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1qvg n ASP 16 N 4.45 -5.38 -4.29 6.15 9.92 -0.74 -4.92 116.55 121.74 1qvg n ASP 16 Ca 0.26 -0.45 -0.27 0.00 -0.53 0.00 0.00 54.79 53.79 1qvg n ASP 16 Cb 0.09 -4.33 -0.14 0.00 -0.64 0.00 0.00 41.12 36.10 1qvg n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qvg s ILE 18 N -0.82 3.47 0.11 0.00 1.01 0.88 -1.45 121.20 124.40 1qvg s ILE 18 Ca 0.09 0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.85 1qvg s ILE 18 Cb -0.09 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1qvg s ILE 18 CO 0.02 -1.01 1.07 0.80 0.00 0.00 0.00 174.94 175.82 1qvg n MET 19 N 9.07 -0.30 0.04 2.79 0.00 -0.77 -1.12 117.12 126.82 1qvg n MET 19 Ca 0.17 1.05 -0.12 0.00 -0.00 0.00 0.00 57.70 58.81 1qvg n MET 19 Cb 0.51 -1.55 -0.05 0.00 0.00 0.00 0.00 33.22 32.13 1qvg n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1qvg h GLY 20 N 0.00 -0.60 0.62 -5.12 0.00 -1.90 0.48 103.07 96.55 1qvg h GLY 20 Ca 0.11 0.44 0.08 0.00 0.00 0.00 0.00 47.33 47.96 1qvg h GLY 20 CO -0.64 -0.23 0.51 3.21 0.00 0.00 0.00 176.54 179.39 1qvg h ARG 21 N -0.49 0.87 0.74 4.80 3.08 -1.51 0.31 114.38 122.18 1qvg h ARG 21 Ca 0.07 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1qvg h ARG 21 Cb 0.59 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1qvg h ARG 21 CO -0.32 0.57 -0.36 0.28 -1.07 0.00 0.00 179.97 179.08 1qvg h VAL 22 N 0.89 0.06 -0.95 2.04 2.07 -0.57 -2.79 116.25 117.00 1qvg h VAL 22 Ca 0.39 -0.25 0.28 0.00 0.82 0.00 0.00 66.70 67.94 1qvg h VAL 22 Cb 0.28 0.08 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 1qvg h VAL 22 CO -0.21 0.01 0.44 0.00 0.02 0.00 0.00 177.57 177.82 1qvg h ALA 23 N -1.17 1.67 -0.43 1.67 0.00 0.56 0.17 119.26 121.73 1qvg h ALA 23 Ca -0.10 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qvg h ALA 23 Cb 0.77 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1qvg h ALA 23 CO 0.17 -0.50 0.26 1.03 0.00 0.00 0.00 179.25 180.20 1qvg h SER 24 N 0.30 0.51 0.03 0.00 0.87 -0.33 -1.61 113.55 113.32 1qvg h SER 24 Ca 0.65 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 61.02 1qvg h SER 24 Cb 1.41 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1qvg h SER 24 CO -0.61 0.42 -0.46 1.56 -0.53 0.00 0.00 176.83 177.21 1qvg h GLN 25 N 0.56 0.51 -0.53 2.24 4.20 -0.49 -2.60 115.11 119.00 1qvg h GLN 25 Ca 0.15 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1qvg h GLN 25 Cb -0.00 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1qvg h GLN 25 CO -0.03 0.86 0.02 0.28 -0.67 0.00 0.00 178.83 179.30 1qvg h VAL 26 N 0.41 1.26 -0.20 -0.54 2.07 -0.76 -2.31 116.25 116.18 1qvg h VAL 26 Ca 0.03 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1qvg h VAL 26 Cb 0.96 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1qvg h VAL 26 CO 0.08 0.38 0.10 0.00 0.02 0.00 0.00 177.57 178.16 1qvg h ALA 27 N 0.96 0.26 -0.60 1.67 0.00 -1.24 -0.09 119.26 120.23 1qvg h ALA 27 Ca 0.15 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1qvg h ALA 27 Cb 0.50 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1qvg h ALA 27 CO 0.02 -0.20 0.03 1.49 0.00 0.00 0.00 179.25 180.60 1qvg h GLU 28 N 0.21 0.14 -0.17 0.00 4.57 -1.34 -0.56 114.58 117.43 1qvg h GLU 28 Ca 0.07 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1qvg h GLU 28 Cb 0.09 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1qvg h GLU 28 CO -0.01 0.10 -0.14 1.96 -1.18 0.00 0.00 179.01 179.73 1qvg h GLN 29 N 0.15 0.39 -0.11 1.92 4.20 -1.15 -2.72 115.11 117.80 1qvg h GLN 29 Ca 0.31 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1qvg h GLN 29 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1qvg h GLN 29 CO -0.48 0.75 0.11 0.00 -0.67 0.00 0.00 178.83 178.53 1qvg h ALA 30 N 0.64 1.79 0.00 3.87 0.00 -0.35 0.38 119.26 125.58 1qvg h ALA 30 Ca 0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1qvg h ALA 30 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1qvg h ALA 30 CO 0.04 -0.16 -0.32 -0.07 0.00 0.00 0.00 179.25 178.74 1qvg h LEU 31 N 0.00 0.00 -0.88 0.00 3.38 -0.97 -2.77 115.31 114.07 1qvg h LEU 31 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1qvg h LEU 31 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1qvg h LEU 31 CO -0.00 0.32 0.00 0.47 0.09 0.00 0.00 178.44 179.32 1qvg n ASP 32 N -3.19 1.30 0.00 -0.43 8.00 0.13 -4.89 116.55 117.46 1qvg n ASP 32 Ca 0.03 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1qvg n ASP 32 Cb 0.65 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1qvg n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qvg n GLY 33 N 0.97 0.68 3.77 0.44 0.00 -0.89 -5.06 105.19 105.10 1qvg n GLY 33 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1qvg n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvg s GLU 34 N -0.96 4.31 -0.32 1.61 0.41 -0.85 -4.95 118.70 117.95 1qvg s GLU 34 Ca 0.00 2.28 -0.16 0.00 -0.41 0.00 0.00 54.97 56.67 1qvg s GLU 34 Cb 0.00 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.28 1qvg s GLU 34 CO 0.00 -0.26 0.43 0.99 -0.49 0.00 0.00 175.26 175.93 1qvg s THR 35 N -1.04 5.11 0.08 3.63 2.01 -1.26 -4.10 115.64 120.07 1qvg s THR 35 Ca 0.50 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.87 1qvg s THR 35 Cb -0.41 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1qvg s THR 35 CO 0.54 -0.07 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.66 1qvg s VAL 36 N 2.18 3.76 -0.04 3.82 1.01 -0.74 0.03 120.40 130.43 1qvg s VAL 36 Ca 0.15 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1qvg s VAL 36 Cb -0.16 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.49 1qvg s VAL 36 CO 0.12 0.16 0.01 0.00 0.00 0.00 0.00 175.10 175.39 1qvg s ALA 37 N -1.23 0.34 -0.16 5.51 0.00 -1.04 -1.69 121.76 123.49 1qvg s ALA 37 Ca 0.23 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 1qvg s ALA 37 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1qvg s ALA 37 CO 0.15 -0.17 0.06 0.08 0.00 0.00 0.00 175.76 175.88 1qvg s VAL 38 N 1.26 4.75 0.05 0.00 1.01 0.12 -1.26 120.40 126.33 1qvg s VAL 38 Ca -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1qvg s VAL 38 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1qvg s VAL 38 CO -0.02 0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 1qvg s VAL 39 N 0.11 3.43 -1.14 2.92 1.01 0.56 0.11 120.40 127.39 1qvg s VAL 39 Ca 0.05 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1qvg s VAL 39 Cb -0.12 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1qvg s VAL 39 CO 0.01 0.28 0.97 0.59 0.00 0.00 0.00 175.10 176.95 1qvg n ASN 40 N 1.24 -3.34 -0.22 3.32 3.02 0.11 -0.77 115.26 118.61 1qvg n ASN 40 Ca -0.15 -0.54 -0.03 0.00 -0.03 0.00 0.00 54.58 53.83 1qvg n ASN 40 Cb 0.52 -4.69 0.08 0.00 -0.61 0.00 0.00 39.78 35.09 1qvg n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qvg h ALA 41 N 0.86 0.85 -0.41 5.41 0.00 -1.59 0.21 119.26 124.58 1qvg h ALA 41 Ca -0.53 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.50 1qvg h ALA 41 Cb 1.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1qvg h ALA 41 CO 0.47 0.08 0.48 1.05 0.00 0.00 0.00 179.25 181.34 1qvg h GLU 42 N 0.71 0.00 -0.54 0.00 9.09 -1.85 0.10 114.58 122.10 1qvg h GLU 42 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 1qvg h GLU 42 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1qvg h GLU 42 CO -0.14 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.46 1qvg n ARG 43 N -3.63 2.59 -1.53 1.06 1.74 0.70 -2.05 116.66 115.55 1qvg n ARG 43 Ca 0.07 -2.42 -0.30 0.00 -0.77 0.00 0.00 57.85 54.43 1qvg n ARG 43 Cb 0.65 -1.51 0.08 0.00 -1.02 0.00 0.00 32.46 30.66 1qvg n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qvg s ALA 44 N -1.21 2.32 0.17 7.54 0.00 0.35 -1.79 121.76 129.14 1qvg s ALA 44 Ca 0.42 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1qvg s ALA 44 Cb 0.23 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1qvg s ALA 44 CO 0.31 -1.64 -0.06 0.54 0.00 0.00 0.00 175.76 174.91 1qvg s VAL 45 N -3.11 1.07 -0.05 0.00 0.11 -0.53 -1.42 120.40 116.49 1qvg s VAL 45 Ca 0.60 -2.04 -0.02 0.00 -2.93 0.00 0.00 61.98 57.59 1qvg s VAL 45 Cb -0.15 -2.01 0.04 0.00 -1.53 0.00 0.00 36.38 32.73 1qvg s VAL 45 CO 0.55 -0.60 0.09 -0.51 -3.33 0.00 0.00 175.10 171.30 1qvg s ILE 46 N -3.39 -0.11 0.85 7.04 2.07 -0.45 -1.86 121.20 125.36 1qvg s ILE 46 Ca 0.21 0.28 -0.11 0.00 -1.41 0.00 0.00 60.65 59.61 1qvg s ILE 46 Cb 0.04 -0.18 0.10 0.00 0.13 0.00 0.00 42.46 42.55 1qvg s ILE 46 CO 0.03 0.12 1.09 -0.89 -1.91 0.00 0.00 174.94 173.38 1qvg s THR 47 N 1.57 2.90 -1.46 4.00 2.01 -1.26 -0.97 115.64 122.42 1qvg s THR 47 Ca -0.04 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1qvg s THR 47 Cb -0.12 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1qvg s THR 47 CO -0.04 -0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.12 1qvg n GLY 48 N -1.45 0.50 3.40 4.40 0.00 -0.86 -4.86 105.19 106.32 1qvg n GLY 48 Ca 0.07 -2.19 -0.44 0.00 0.00 0.00 0.00 46.02 43.46 1qvg n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qvg s ARG 49 N -0.59 3.06 0.14 1.61 3.52 -1.26 -3.38 118.95 122.05 1qvg s ARG 49 Ca 0.00 -1.19 -0.04 0.00 -0.13 0.00 0.00 55.73 54.37 1qvg s ARG 49 Cb 0.00 -4.17 0.25 0.00 -1.56 0.00 0.00 34.95 29.46 1qvg s ARG 49 CO 0.00 -1.28 0.80 -1.91 -0.81 0.00 0.00 175.30 172.10 1qvg n GLU 50 N 5.91 -0.05 -0.11 5.12 2.13 -1.26 -0.16 120.64 132.22 1qvg n GLU 50 Ca -0.09 0.80 -0.05 0.00 0.66 0.00 0.00 57.16 58.48 1qvg n GLU 50 Cb 0.44 -1.20 0.01 0.00 0.27 0.00 0.00 31.44 30.96 1qvg n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1qvg h GLU 51 N 0.00 0.01 -0.08 5.31 3.07 -1.99 0.11 114.58 121.01 1qvg h GLU 51 Ca 0.25 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1qvg h GLU 51 Cb 0.39 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1qvg h GLU 51 CO -0.53 0.01 -0.09 -0.56 -1.40 0.00 0.00 179.01 176.43 1qvg h GLN 52 N 0.01 0.20 -0.38 2.33 -0.00 -0.97 -2.26 115.11 114.04 1qvg h GLN 52 Ca 0.19 -0.11 0.08 0.00 -0.00 0.00 0.00 58.65 58.80 1qvg h GLN 52 Cb 0.28 0.01 -0.09 0.00 -0.00 0.00 0.00 27.48 27.68 1qvg h GLN 52 CO -0.39 0.66 -0.30 0.82 -0.00 0.00 0.00 178.83 179.62 1qvg h ILE 53 N -0.23 0.27 -0.90 1.86 2.04 -1.12 0.11 117.51 119.54 1qvg h ILE 53 Ca 0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.95 1qvg h ILE 53 Cb 0.63 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1qvg h ILE 53 CO 0.02 0.00 0.56 0.58 0.00 0.00 0.00 178.15 179.31 1qvg h VAL 54 N -0.24 1.01 -0.41 1.67 2.07 -0.76 -1.66 116.25 117.93 1qvg h VAL 54 Ca 0.17 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1qvg h VAL 54 Cb 0.52 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1qvg h VAL 54 CO -0.51 0.18 0.15 -0.33 0.02 0.00 0.00 177.57 177.08 1qvg h GLU 55 N 0.98 0.31 -0.17 1.57 5.08 -0.23 0.46 114.58 122.59 1qvg h GLU 55 Ca 0.40 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1qvg h GLU 55 Cb 0.24 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1qvg h GLU 55 CO -0.20 0.21 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.59 1qvg h LYS 56 N 0.32 -0.24 -0.49 2.33 3.64 -0.21 -0.44 116.57 121.48 1qvg h LYS 56 Ca 0.19 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1qvg h LYS 56 Cb 0.17 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1qvg h LYS 56 CO -0.19 -0.16 -0.16 1.88 -2.27 0.00 0.00 179.45 178.55 1qvg h TYR 57 N -0.25 1.09 -0.64 1.91 -1.99 -1.08 -2.28 116.97 113.73 1qvg h TYR 57 Ca 0.11 -0.24 -0.02 0.00 2.00 0.00 0.00 58.73 60.59 1qvg h TYR 57 Cb 0.42 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 1qvg h TYR 57 CO -0.34 1.05 0.33 0.93 -0.00 0.00 0.00 178.16 180.13 1qvg h GLU 58 N 0.85 0.89 -0.14 4.88 5.08 0.31 -1.12 114.58 125.33 1qvg h GLU 58 Ca 0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qvg h GLU 58 Cb 0.72 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1qvg h GLU 58 CO 0.06 0.66 0.09 -0.22 -1.00 0.00 0.00 179.01 178.60 1qvg h LYS 59 N 0.89 0.19 -0.92 2.33 1.63 -0.74 -1.29 116.57 118.66 1qvg h LYS 59 Ca 0.23 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.13 1qvg h LYS 59 Cb 0.05 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.57 1qvg h LYS 59 CO -0.03 0.16 0.59 0.00 -3.45 0.00 0.00 179.45 176.72 1qvg h ARG 60 N 0.16 0.81 -0.60 1.90 3.08 -0.82 0.19 114.38 119.10 1qvg h ARG 60 Ca 0.05 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1qvg h ARG 60 Cb 0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1qvg h ARG 60 CO -0.01 0.53 -0.00 0.28 -1.07 0.00 0.00 179.97 179.70 1qvg h VAL 61 N 0.83 1.26 0.00 2.04 2.07 -0.45 -3.16 116.25 118.85 1qvg h VAL 61 Ca 0.45 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1qvg h VAL 61 Cb 0.55 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1qvg h VAL 61 CO -0.21 0.42 -0.44 0.44 0.02 0.00 0.00 177.57 177.80 1qvg h ASP 62 N 0.96 0.00 -3.79 0.57 3.32 0.24 -3.45 116.42 114.26 1qvg h ASP 62 Ca 0.17 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.69 1qvg h ASP 62 Cb 0.56 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.19 1qvg h ASP 62 CO 0.03 0.44 0.73 -0.63 -1.72 0.00 0.00 179.24 178.08 1qvg s ILE 63 N -3.38 2.42 -4.34 0.35 1.01 0.41 -4.93 121.20 112.74 1qvg s ILE 63 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1qvg s ILE 63 Cb 0.10 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1qvg s ILE 63 CO 0.71 0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.35 1qvg n GLY 64 N 0.97 -2.37 0.00 6.18 0.00 -1.26 -4.60 105.19 104.11 1qvg n GLY 64 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1qvg n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qvg n ASN 65 N 2.60 0.00 -0.28 1.61 0.23 -1.26 -4.92 115.26 113.24 1qvg n ASN 65 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.11 1qvg n ASN 65 Cb 0.00 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 37.91 1qvg n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qvg h ASP 66 N 0.00 0.47 0.34 0.53 3.32 -2.05 0.27 116.42 119.30 1qvg h ASP 66 Ca 0.00 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1qvg h ASP 66 Cb 0.00 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1qvg h ASP 66 CO 0.00 0.20 -0.34 -1.13 -1.72 0.00 0.00 179.24 176.25 1qvg h ASN 67 N 0.58 0.00 -4.40 6.45 -0.73 -2.05 -3.48 115.58 111.95 1qvg h ASN 67 Ca 0.44 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.61 1qvg h ASN 67 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1qvg h ASN 67 CO -0.36 0.34 0.00 0.61 -0.37 0.00 0.00 177.43 177.65 1qvg n GLY 68 N -0.55 -0.71 2.60 1.57 0.00 0.96 -4.98 105.19 104.08 1qvg n GLY 68 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1qvg n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qvg n TYR 69 N -0.26 -2.66 -2.07 1.61 9.36 -1.26 -4.77 117.16 117.11 1qvg n TYR 69 Ca 0.00 -2.16 -0.43 0.00 3.32 0.00 0.00 57.90 58.64 1qvg n TYR 69 Cb 0.00 1.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.69 1qvg n TYR 69 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1qvg s PHE 70 N 0.41 1.91 -0.11 2.98 5.36 -1.26 -4.83 117.98 122.45 1qvg s PHE 70 Ca 0.32 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 56.95 1qvg s PHE 70 Cb 0.07 -4.16 -0.01 0.00 -0.34 0.00 0.00 43.02 38.58 1qvg s PHE 70 CO -0.13 -2.72 -0.17 -0.47 -1.46 0.00 0.00 175.22 170.27 1qvg s TYR 71 N 6.74 2.70 0.53 10.12 5.04 -1.26 -5.10 117.35 136.12 1qvg s TYR 71 Ca 0.75 -0.73 -0.20 0.00 -2.44 0.00 0.00 57.07 54.45 1qvg s TYR 71 Cb -0.20 -1.77 -0.06 0.00 0.35 0.00 0.00 41.96 40.28 1qvg s TYR 71 CO 0.33 -0.24 1.15 -1.25 -1.34 0.00 0.00 175.55 174.19 1qvg s PRO 72 N 0.22 3.38 -0.03 4.97 0.04 -1.26 -4.91 135.00 137.41 1qvg s PRO 72 Ca -0.11 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1qvg s PRO 72 Cb -0.16 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1qvg s PRO 72 CO 0.06 -0.84 0.13 1.63 0.04 0.00 0.00 177.00 178.02 1qvg n LYS 73 N -1.18 0.98 -2.56 4.56 5.02 -1.26 -4.49 118.16 119.23 1qvg n LYS 73 Ca 0.11 -0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 55.99 1qvg n LYS 73 Cb 0.50 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 1qvg n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qvg s ARG 74 N -2.43 4.10 0.27 1.97 1.81 -1.26 -4.27 118.95 119.13 1qvg s ARG 74 Ca -0.03 1.46 0.22 0.00 -1.72 0.00 0.00 55.73 55.66 1qvg s ARG 74 Cb 0.04 -2.44 1.02 0.00 -0.45 0.00 0.00 34.95 33.12 1qvg s ARG 74 CO 0.31 -0.19 1.66 -0.35 -0.68 0.00 0.00 175.30 176.06 1qvg n PRO 75 N -0.27 0.16 0.00 3.54 -0.04 -1.26 -1.66 135.00 135.47 1qvg n PRO 75 Ca 0.06 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1qvg n PRO 75 Cb 0.50 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1qvg n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1qvg n ASP 76 N -2.20 0.00 0.11 3.54 -0.08 -1.26 -2.57 116.55 114.08 1qvg n ASP 76 Ca 0.01 0.79 -0.12 0.00 -1.51 0.00 0.00 54.79 53.96 1qvg n ASP 76 Cb 0.14 -0.29 -0.07 0.00 2.34 0.00 0.00 41.12 43.24 1qvg n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1qvg h GLY 77 N 0.00 -1.16 -0.42 0.27 0.00 -1.86 -2.74 103.07 97.15 1qvg h GLY 77 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.95 1qvg h GLY 77 CO 0.00 -0.33 -0.25 1.39 0.00 0.00 0.00 176.54 177.35 1qvg n ILE 78 N -4.54 -0.29 -0.24 2.60 2.08 -0.67 0.14 119.36 118.45 1qvg n ILE 78 Ca -0.06 1.03 -0.04 0.00 0.56 0.00 0.00 62.75 64.24 1qvg n ILE 78 Cb 0.29 -1.27 0.07 0.00 -0.75 0.00 0.00 39.64 37.98 1qvg n ILE 78 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1qvg h PHE 79 N 0.00 0.80 -0.33 1.39 -0.00 -1.28 -1.65 116.94 115.86 1qvg h PHE 79 Ca 0.07 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 58.01 1qvg h PHE 79 Cb 0.17 -0.26 -0.01 0.00 -0.00 0.00 0.00 35.95 35.85 1qvg h PHE 79 CO -0.44 0.46 -0.00 -0.22 -0.00 0.00 0.00 178.31 178.11 1qvg h LYS 80 N 0.84 0.58 -0.06 1.11 3.64 0.15 -2.33 116.57 120.49 1qvg h LYS 80 Ca 0.27 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1qvg h LYS 80 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1qvg h LYS 80 CO -0.10 0.71 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.66 1qvg h ARG 81 N 0.39 0.09 -0.63 1.90 9.65 -0.75 0.87 114.38 125.89 1qvg h ARG 81 Ca 0.09 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1qvg h ARG 81 Cb 0.45 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1qvg h ARG 81 CO 0.02 0.14 0.22 1.15 2.80 0.00 0.00 179.97 184.30 1qvg h THR 82 N 0.09 1.24 -0.13 0.20 2.02 -0.98 -1.97 112.91 113.38 1qvg h THR 82 Ca 0.02 -0.80 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1qvg h THR 82 Cb 0.14 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1qvg h THR 82 CO 0.01 0.31 -0.46 0.40 0.37 0.00 0.00 175.52 176.14 1qvg h ILE 83 N 0.89 1.33 0.00 3.11 2.04 -0.38 -2.45 117.51 122.06 1qvg h ILE 83 Ca 0.21 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 1qvg h ILE 83 Cb 0.26 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1qvg h ILE 83 CO -0.01 0.50 -0.08 -0.09 0.00 0.00 0.00 178.15 178.47 1qvg h ARG 84 N 0.25 0.00 0.00 2.37 2.43 -0.44 0.82 114.38 119.82 1qvg h ARG 84 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1qvg h ARG 84 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1qvg h ARG 84 CO 0.08 0.08 0.00 0.78 -1.51 0.00 0.00 179.97 179.39 1qvg h GLY 85 N 0.31 0.00 -2.81 2.80 0.00 -0.87 -2.76 103.07 99.74 1qvg h GLY 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qvg h GLY 85 CO 0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.58 1qvg n MET 86 N -2.43 3.52 -3.99 4.80 2.81 0.28 -4.93 117.12 117.18 1qvg n MET 86 Ca 0.04 -2.81 -0.10 0.00 -1.81 0.00 0.00 57.70 53.02 1qvg n MET 86 Cb 0.35 -1.81 -0.11 0.00 -0.71 0.00 0.00 33.22 30.94 1qvg n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qvg s LEU 87 N -1.74 2.21 -1.26 4.03 1.43 -1.04 -4.89 118.68 117.42 1qvg s LEU 87 Ca 0.48 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1qvg s LEU 87 Cb 0.31 0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.52 1qvg s LEU 87 CO 0.24 -0.24 2.25 -0.81 0.23 0.00 0.00 176.35 178.02 1qvg n PRO 88 N 1.77 2.56 0.00 1.29 -0.04 -1.26 -4.70 135.00 134.62 1qvg n PRO 88 Ca -0.22 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 1qvg n PRO 88 Cb 0.56 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 1qvg n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1qvg n HIS 89 N 5.91 0.00 0.51 0.54 1.44 -1.26 -1.10 115.22 121.27 1qvg n HIS 89 Ca 0.55 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.31 1qvg n HIS 89 Cb 0.35 -0.07 -0.05 0.00 0.12 0.00 0.00 29.99 30.33 1qvg n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1qvg n LYS 90 N -1.03 3.24 -3.36 -1.40 5.02 -1.26 -4.16 118.16 115.21 1qvg n LYS 90 Ca 0.00 -0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 1qvg n LYS 90 Cb 0.01 -1.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 1qvg n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qvg s LYS 91 N -1.97 3.88 0.17 1.97 1.02 -0.25 -4.93 119.74 119.63 1qvg s LYS 91 Ca 0.05 0.39 -0.19 0.00 0.02 0.00 0.00 55.97 56.24 1qvg s LYS 91 Cb 0.08 -2.71 0.11 0.00 -0.52 0.00 0.00 37.83 34.80 1qvg s LYS 91 CO 0.43 0.35 1.63 0.37 -0.92 0.00 0.00 175.35 177.20 1qvg h GLN 92 N 2.82 -0.12 -0.80 1.68 4.15 -1.93 -0.59 115.11 120.32 1qvg h GLN 92 Ca -0.47 0.01 0.04 0.00 0.77 0.00 0.00 58.65 58.99 1qvg h GLN 92 Cb 1.18 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 1qvg h GLN 92 CO 0.68 -0.08 0.50 -0.09 -1.93 0.00 0.00 178.83 177.91 1qvg h ARG 93 N -0.13 0.94 -0.01 1.69 2.43 -1.94 -2.36 114.38 115.00 1qvg h ARG 93 Ca 0.21 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1qvg h ARG 93 Cb 0.45 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1qvg h ARG 93 CO -0.51 0.62 -0.54 0.78 -1.51 0.00 0.00 179.97 178.80 1qvg h GLY 94 N 0.97 0.02 1.77 2.80 0.00 -1.35 -1.61 103.07 105.65 1qvg h GLY 94 Ca 0.33 -0.02 -0.19 0.00 0.00 0.00 0.00 47.33 47.45 1qvg h GLY 94 CO -0.13 0.02 -0.84 -0.09 0.00 0.00 0.00 176.54 175.50 1qvg h ARG 95 N 0.01 0.21 0.55 4.80 2.43 -0.87 -1.26 114.38 120.25 1qvg h ARG 95 Ca -0.00 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1qvg h ARG 95 Cb 0.96 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1qvg h ARG 95 CO 0.07 0.93 -0.26 0.93 -1.51 0.00 0.00 179.97 180.13 1qvg h GLU 96 N 0.13 -0.71 -0.12 0.20 5.08 -1.13 0.20 114.58 118.24 1qvg h GLU 96 Ca -0.04 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1qvg h GLU 96 Cb 1.45 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.83 1qvg h GLU 96 CO 0.13 -0.43 -0.07 0.00 -1.00 0.00 0.00 179.01 177.64 1qvg h ALA 97 N -0.42 0.03 -0.57 3.43 0.00 -1.30 -0.96 119.26 119.47 1qvg h ALA 97 Ca -0.07 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1qvg h ALA 97 Cb 0.60 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1qvg h ALA 97 CO 0.12 -0.53 0.26 0.35 0.00 0.00 0.00 179.25 179.46 1qvg h PHE 98 N -0.07 0.47 0.00 0.00 3.57 -1.19 -1.40 116.94 118.32 1qvg h PHE 98 Ca 0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1qvg h PHE 98 Cb 0.18 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1qvg h PHE 98 CO -0.20 0.19 -0.16 0.93 -2.23 0.00 0.00 178.31 176.84 1qvg h GLU 99 N 0.49 0.00 -0.85 1.11 5.08 -0.54 -1.27 114.58 118.60 1qvg h GLU 99 Ca 0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1qvg h GLU 99 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1qvg h GLU 99 CO -0.22 0.16 0.13 -1.13 -1.00 0.00 0.00 179.01 176.96 1qvg n SER 100 N -3.77 3.57 -4.04 1.42 3.41 -0.40 -4.77 113.62 109.04 1qvg n SER 100 Ca -0.02 -2.66 -0.23 0.00 -0.26 0.00 0.00 58.87 55.70 1qvg n SER 100 Cb 0.27 -0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 1qvg n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qvg s VAL 101 N -1.93 1.06 -0.01 -3.33 1.01 -0.48 -1.79 120.40 114.93 1qvg s VAL 101 Ca 0.31 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1qvg s VAL 101 Cb 0.24 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1qvg s VAL 101 CO 0.08 0.33 0.02 -0.13 0.00 0.00 0.00 175.10 175.39 1qvg s ARG 102 N 0.37 0.00 0.06 2.72 0.52 -0.68 -4.97 118.95 116.97 1qvg s ARG 102 Ca -0.08 0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1qvg s ARG 102 Cb -0.12 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.27 1qvg s ARG 102 CO 0.02 -0.03 0.07 0.08 0.02 0.00 0.00 175.30 175.45 1qvg s VAL 103 N 0.21 4.48 0.07 3.52 1.01 -1.26 0.13 120.40 128.56 1qvg s VAL 103 Ca -0.02 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1qvg s VAL 103 Cb -0.03 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1qvg s VAL 103 CO -0.01 0.17 -0.07 -0.31 0.00 0.00 0.00 175.10 174.89 1qvg s TYR 104 N -1.33 0.76 -0.11 5.22 1.51 0.30 -4.87 117.35 118.82 1qvg s TYR 104 Ca 0.27 -0.72 -0.25 0.00 -1.01 0.00 0.00 57.07 55.36 1qvg s TYR 104 Cb -0.12 -0.45 -0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1qvg s TYR 104 CO 0.20 -0.13 0.79 -0.51 -1.11 0.00 0.00 175.55 174.79 1qvg s LEU 105 N -2.32 4.25 0.00 -1.29 1.43 -1.26 -1.79 118.68 117.70 1qvg s LEU 105 Ca 0.01 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 1qvg s LEU 105 Cb -0.02 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1qvg s LEU 105 CO -0.03 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1qvg n GLY 106 N 3.28 -0.01 2.79 -3.19 0.00 -1.26 -4.63 105.19 102.17 1qvg n GLY 106 Ca 0.02 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 1qvg n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qvg s ASN 107 N -4.00 3.94 -0.00 1.61 3.04 -1.26 0.05 114.94 118.32 1qvg s ASN 107 Ca 0.00 -1.53 0.02 0.00 0.04 0.00 0.00 52.86 51.39 1qvg s ASN 107 Cb 0.00 -0.95 0.06 0.00 -1.54 0.00 0.00 41.25 38.81 1qvg s ASN 107 CO 0.00 -0.37 0.98 -0.81 -3.04 0.00 0.00 177.10 173.86 1qvg n PRO 108 N 4.79 1.17 -2.54 0.43 -0.04 -1.26 -4.85 135.00 132.69 1qvg n PRO 108 Ca -0.04 -0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.06 1qvg n PRO 108 Cb 0.43 -1.13 0.01 0.00 -0.04 0.00 0.00 33.50 32.77 1qvg n PRO 108 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qvg n TYR 109 N -0.26 -1.45 -0.13 0.54 4.02 -1.26 -5.05 117.16 113.57 1qvg n TYR 109 Ca 0.02 -1.20 -0.28 0.00 -0.01 0.00 0.00 57.90 56.44 1qvg n TYR 109 Cb 0.09 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.06 1qvg n TYR 109 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1qvg n ASP 110 N -2.11 1.96 -4.76 7.72 8.00 -1.26 -4.93 116.55 121.16 1qvg n ASP 110 Ca 0.01 0.28 -0.39 0.00 0.71 0.00 0.00 54.79 55.40 1qvg n ASP 110 Cb 0.33 -0.78 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1qvg n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1qvg s GLU 111 N -2.50 3.73 0.02 -1.24 2.02 -1.26 -4.96 118.70 114.51 1qvg s GLU 111 Ca -0.37 2.22 -0.28 0.00 0.02 0.00 0.00 54.97 56.55 1qvg s GLU 111 Cb 0.13 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1qvg s GLU 111 CO 0.52 -0.71 0.88 -0.51 0.02 0.00 0.00 175.26 175.46 1qvg s ASP 112 N -0.76 7.29 1.22 -0.19 1.11 -1.26 -5.02 116.67 119.06 1qvg s ASP 112 Ca 0.61 1.55 -0.17 0.00 0.18 0.00 0.00 52.55 54.72 1qvg s ASP 112 Cb -0.39 -2.52 0.29 0.00 1.07 0.00 0.00 42.92 41.36 1qvg s ASP 112 CO 0.50 -0.14 1.04 -0.83 1.18 0.00 0.00 175.17 176.91 1qvg s GLY 113 N 0.56 1.52 0.17 0.21 0.00 -1.26 -5.01 107.32 103.51 1qvg s GLY 113 Ca 0.46 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.62 1qvg s GLY 113 CO 0.25 0.23 0.26 -1.83 0.00 0.00 0.00 173.10 172.02 1qvg s GLU 114 N -4.97 3.30 -0.31 2.90 -1.05 0.19 -4.53 118.70 114.22 1qvg s GLU 114 Ca 0.69 -0.71 -0.10 0.00 -0.15 0.00 0.00 54.97 54.70 1qvg s GLU 114 Cb -0.17 -2.86 -0.01 0.00 -0.44 0.00 0.00 34.13 30.65 1qvg s GLU 114 CO 0.59 0.49 0.16 0.08 0.95 0.00 0.00 175.26 177.53 1qvg s VAL 115 N -1.81 4.70 0.44 1.83 1.01 -1.26 -0.29 120.40 125.02 1qvg s VAL 115 Ca 0.34 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 1qvg s VAL 115 Cb -0.10 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 1qvg s VAL 115 CO 0.27 0.08 1.20 -0.76 0.00 0.00 0.00 175.10 175.89 1qvg s LEU 116 N 1.63 4.08 0.29 3.92 1.43 -1.26 -4.96 118.68 123.81 1qvg s LEU 116 Ca 0.05 2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 1qvg s LEU 116 Cb -0.17 -4.13 -0.13 0.00 0.03 0.00 0.00 46.19 41.79 1qvg s LEU 116 CO 0.07 -0.89 1.38 0.47 0.23 0.00 0.00 176.35 177.61 1qvg n ASP 117 N -0.28 2.91 -2.00 2.29 8.00 -1.26 -3.00 116.55 123.21 1qvg n ASP 117 Ca 0.06 1.17 -0.17 0.00 0.71 0.00 0.00 54.79 56.56 1qvg n ASP 117 Cb 0.47 -1.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1qvg n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qvg n GLY 118 N 1.52 -0.33 0.00 0.44 0.00 -1.26 -4.85 105.19 100.71 1qvg n GLY 118 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1qvg n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qvg n THR 119 N -4.05 0.01 -3.24 2.61 -2.24 -1.16 -4.95 114.28 101.26 1qvg n THR 119 Ca -0.19 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 60.87 1qvg n THR 119 Cb 0.65 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 70.14 1qvg n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1qvg s SER 120 N -0.01 7.03 -0.10 3.42 0.15 -1.26 -0.08 113.70 122.84 1qvg s SER 120 Ca 0.00 1.22 -0.02 0.00 0.70 0.00 0.00 55.95 57.85 1qvg s SER 120 Cb 0.00 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1qvg s SER 120 CO 0.00 0.19 -0.02 -0.22 1.20 0.00 0.00 173.24 174.39 1qvg s LEU 121 N -0.67 3.40 -0.74 3.45 2.96 0.52 -4.86 118.68 122.74 1qvg s LEU 121 Ca 0.30 0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 54.03 1qvg s LEU 121 Cb -0.19 -1.78 0.09 0.00 0.50 0.00 0.00 46.19 44.81 1qvg s LEU 121 CO 0.18 0.31 0.99 -0.62 -1.32 0.00 0.00 176.35 175.90 1qvg s ASP 122 N -0.50 6.32 0.57 3.68 -1.08 -1.26 -4.88 116.67 119.52 1qvg s ASP 122 Ca 0.08 -1.39 0.29 0.00 -0.52 0.00 0.00 52.55 51.02 1qvg s ASP 122 Cb -0.12 -2.40 1.46 0.00 -1.46 0.00 0.00 42.92 40.39 1qvg s ASP 122 CO 0.02 -1.29 1.87 0.03 0.52 0.00 0.00 175.17 176.33 1qvg h ARG 123 N 9.29 0.00 -0.09 4.34 3.08 -1.96 0.12 114.38 129.16 1qvg h ARG 123 Ca -0.14 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1qvg h ARG 123 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1qvg h ARG 123 CO 1.15 0.00 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.52 1qvg h LEU 124 N 0.00 0.24 -3.26 3.04 3.38 -2.05 -3.14 115.31 113.52 1qvg h LEU 124 Ca 0.28 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 1qvg h LEU 124 Cb 1.39 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.97 1qvg h LEU 124 CO -0.00 0.67 -0.33 -1.54 0.09 0.00 0.00 178.44 177.33 1qvg n SER 125 N -3.99 2.53 -3.42 -0.43 3.41 0.34 -4.93 113.62 107.13 1qvg n SER 125 Ca -0.02 -3.84 -0.03 0.00 -0.26 0.00 0.00 58.87 54.72 1qvg n SER 125 Cb 0.51 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 1qvg n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qvg s ASN 126 N -2.95 -0.63 -0.07 4.04 0.01 -0.72 -4.95 114.94 109.66 1qvg s ASN 126 Ca 0.43 0.87 0.11 0.00 -0.71 0.00 0.00 52.86 53.55 1qvg s ASN 126 Cb 0.39 1.72 -0.15 0.00 0.41 0.00 0.00 41.25 43.62 1qvg s ASN 126 CO -0.03 -0.26 0.12 0.00 -1.51 0.00 0.00 177.10 175.43 1qvg n ILE 127 N 5.41 0.45 -3.06 0.60 3.06 -1.26 -4.57 119.36 119.98 1qvg n ILE 127 Ca -0.06 -0.39 -0.45 0.00 -2.50 0.00 0.00 62.75 59.36 1qvg n ILE 127 Cb 0.50 -0.34 -0.01 0.00 0.54 0.00 0.00 39.64 40.32 1qvg n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1qvg s LYS 128 N -2.48 3.81 0.29 9.51 1.02 -1.26 -4.94 119.74 125.69 1qvg s LYS 128 Ca -0.05 -2.31 -0.20 0.00 0.02 0.00 0.00 55.97 53.43 1qvg s LYS 128 Cb 0.05 -4.82 0.04 0.00 -0.52 0.00 0.00 37.83 32.58 1qvg s LYS 128 CO 0.46 -1.61 0.78 -0.59 -0.92 0.00 0.00 175.35 173.48 1qvg s PHE 129 N 1.37 -0.08 0.05 3.18 -0.12 -1.22 -2.03 117.98 119.13 1qvg s PHE 129 Ca 0.32 -0.42 -0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1qvg s PHE 129 Cb -0.06 0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 43.04 1qvg s PHE 129 CO -0.07 -1.28 -0.04 0.08 -0.05 0.00 0.00 175.22 173.87 1qvg s VAL 130 N -3.31 0.30 -0.17 -2.49 1.01 -0.14 -4.80 120.40 110.80 1qvg s VAL 130 Ca 0.13 -1.54 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 1qvg s VAL 130 Cb -0.05 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1qvg s VAL 130 CO 0.08 -0.80 0.13 -0.89 0.00 0.00 0.00 175.10 173.62 1qvg s THR 131 N -3.02 5.40 0.31 3.92 2.01 -1.26 -1.33 115.64 121.66 1qvg s THR 131 Ca 0.00 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.27 1qvg s THR 131 Cb 0.01 -3.41 0.31 0.00 0.01 0.00 0.00 72.50 69.42 1qvg s THR 131 CO -0.06 0.52 1.72 -0.07 -0.69 0.00 0.00 174.62 176.03 1qvg h LEU 132 N 5.97 0.59 -1.02 4.42 3.38 -1.34 0.38 115.31 127.68 1qvg h LEU 132 Ca -0.47 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1qvg h LEU 132 Cb 1.18 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1qvg h LEU 132 CO 0.68 0.07 0.30 1.23 0.09 0.00 0.00 178.44 180.81 1qvg h GLY 133 N 0.52 1.08 0.91 0.83 0.00 -1.67 0.09 103.07 104.83 1qvg h GLY 133 Ca 0.63 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1qvg h GLY 133 CO -0.50 0.51 0.09 0.83 0.00 0.00 0.00 176.54 177.48 1qvg h GLU 134 N 0.99 0.28 -0.07 4.80 5.08 -0.60 0.23 114.58 125.29 1qvg h GLU 134 Ca 0.24 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1qvg h GLU 134 Cb 0.15 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1qvg h GLU 134 CO -0.03 0.32 -0.39 0.82 -1.00 0.00 0.00 179.01 178.73 1qvg h ILE 135 N 0.18 0.19 -0.48 3.13 2.04 -0.74 -1.32 117.51 120.51 1qvg h ILE 135 Ca 0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1qvg h ILE 135 Cb 0.13 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1qvg h ILE 135 CO -0.01 0.00 0.33 0.28 0.00 0.00 0.00 178.15 178.75 1qvg h SER 136 N -0.50 0.29 -0.24 1.72 0.02 -0.68 0.19 113.55 114.36 1qvg h SER 136 Ca 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1qvg h SER 136 Cb 0.61 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1qvg h SER 136 CO -0.35 0.19 -0.34 -0.33 -1.14 0.00 0.00 176.83 174.86 1qvg h GLU 137 N 0.33 0.76 -0.13 3.45 5.08 -0.13 0.14 114.58 124.09 1qvg h GLU 137 Ca 0.22 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1qvg h GLU 137 Cb 0.43 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1qvg h GLU 137 CO -0.05 0.99 -0.41 1.15 -1.00 0.00 0.00 179.01 179.69 1qvg h THR 138 N 0.64 1.31 0.00 1.13 2.02 0.22 -2.36 112.91 115.86 1qvg h THR 138 Ca 0.06 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1qvg h THR 138 Cb 0.88 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1qvg h THR 138 CO 0.08 0.46 0.00 -0.07 0.37 0.00 0.00 175.52 176.36 1qvg h LEU 139 N 0.24 0.00 0.00 2.58 3.38 -0.47 -3.46 115.31 117.58 1qvg h LEU 139 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1qvg h LEU 139 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1qvg h LEU 139 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1qvg n GLY 140 N -0.03 0.82 3.54 0.83 0.00 -0.89 -5.08 105.19 104.38 1qvg n GLY 140 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1qvg n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg n ALA 141 N -1.27 -1.84 -2.57 4.61 0.00 0.45 -4.95 120.51 114.96 1qvg n ALA 141 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 1qvg n ALA 141 Cb 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 1qvg n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qvg s ASN 142 N -2.35 6.31 -0.88 0.00 3.84 -1.26 -4.67 114.94 115.92 1qvg s ASN 142 Ca 0.63 0.04 -0.25 0.00 0.21 0.00 0.00 52.86 53.49 1qvg s ASN 142 Cb -0.22 -2.26 -0.09 0.00 -0.55 0.00 0.00 41.25 38.13 1qvg s ASN 142 CO 0.63 -0.42 2.14 -0.75 -2.79 0.00 0.00 177.10 175.90 1qvg s LYS 143 N 2.33 2.10 -0.54 0.43 2.20 -1.26 -4.73 119.74 120.27 1qvg s LYS 143 Ca 0.18 -0.04 -0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1qvg s LYS 143 Cb -0.16 -4.96 0.46 0.00 -1.51 0.00 0.00 37.83 31.66 1qvg s LYS 143 CO 0.12 -3.95 1.97 -2.37 -0.36 0.00 0.00 175.35 170.77 1qvg n THR 144 N 8.29 3.33 -1.64 3.43 5.66 -1.26 -5.22 114.28 126.87 1qvg n THR 144 Ca 0.43 -2.40 0.00 0.00 -3.05 0.00 0.00 64.05 59.03 1qvg n THR 144 Cb 0.45 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 1qvg n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35