#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s SER 2 N 0.00 5.37 0.09 8.00 1.04 -1.26 -5.00 113.70 121.95 1qvg s SER 2 Ca 0.00 0.41 -0.28 0.00 0.48 0.00 0.00 55.95 56.56 1qvg s SER 2 Cb 0.00 -1.35 -0.14 0.00 0.10 0.00 0.00 66.02 64.63 1qvg s SER 2 CO 0.00 -1.15 1.66 0.50 0.98 0.00 0.00 173.24 175.23 1qvg h LYS 3 N -0.12 -0.50 -0.91 4.02 3.64 -2.07 -2.44 116.57 118.18 1qvg h LYS 3 Ca -0.45 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1qvg h LYS 3 Cb 1.28 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.09 1qvg h LYS 3 CO 0.58 -0.33 0.43 0.87 -2.27 0.00 0.00 179.45 178.73 1qvg h LYS 4 N -0.52 0.44 0.00 1.90 1.57 -2.02 0.27 116.57 118.21 1qvg h LYS 4 Ca -0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1qvg h LYS 4 Cb 0.45 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1qvg h LYS 4 CO 0.01 0.29 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.94 1qvg h LYS 5 N 0.45 0.00 -0.15 3.15 1.63 -1.83 -1.63 116.57 118.18 1qvg h LYS 5 Ca 0.57 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 1qvg h LYS 5 Cb 1.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1qvg h LYS 5 CO -0.51 0.02 0.00 0.54 -3.45 0.00 0.00 179.45 176.05 1qvg n ARG 6 N -3.19 2.04 0.20 1.90 1.74 0.93 -4.39 116.66 115.90 1qvg n ARG 6 Ca -0.02 -1.54 0.09 0.00 -0.77 0.00 0.00 57.85 55.61 1qvg n ARG 6 Cb 0.18 -1.46 0.27 0.00 -1.02 0.00 0.00 32.46 30.44 1qvg n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1qvg h GLN 7 N 3.36 0.00 -6.54 5.56 1.08 -1.15 -3.44 115.11 113.97 1qvg h GLN 7 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1qvg h GLN 7 Cb 0.73 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.19 1qvg h GLN 7 CO 0.00 0.22 1.00 1.03 -0.95 0.00 0.00 178.83 180.13 1qvg s ARG 8 N -3.32 4.18 0.00 1.46 1.81 -1.26 -1.83 118.95 119.98 1qvg s ARG 8 Ca 0.03 2.45 0.00 0.00 -1.72 0.00 0.00 55.73 56.50 1qvg s ARG 8 Cb 0.08 -3.38 0.00 0.00 -0.45 0.00 0.00 34.95 31.19 1qvg s ARG 8 CO 0.67 -0.73 0.00 0.41 -0.68 0.00 0.00 175.30 174.97 1qvg n GLY 9 N 3.98 0.69 0.15 -3.53 0.00 -1.26 -4.90 105.19 100.33 1qvg n GLY 9 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1qvg n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qvg n SER 10 N 0.00 1.00 0.00 1.61 3.41 -0.76 -4.97 113.62 113.91 1qvg n SER 10 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1qvg n SER 10 Cb 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1qvg n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1qvg n ARG 11 N -1.03 0.00 0.00 4.33 0.63 -1.26 -4.15 116.66 115.18 1qvg n ARG 11 Ca 0.08 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.15 1qvg n ARG 11 Cb 0.36 0.00 0.61 0.00 0.45 0.00 0.00 32.46 33.88 1qvg n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1qvg n THR 12 N 0.00 0.00 -4.32 5.15 -2.24 -1.26 -4.95 114.28 106.65 1qvg n THR 12 Ca 0.00 -0.16 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1qvg n THR 12 Cb 0.00 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1qvg n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1qvg n HIS 13 N -0.30 -1.58 -1.03 4.78 8.25 -1.26 -1.04 115.22 123.04 1qvg n HIS 13 Ca 0.19 0.77 -0.01 0.00 -0.26 0.00 0.00 57.72 58.41 1qvg n HIS 13 Cb 0.29 -2.63 -0.00 0.00 1.12 0.00 0.00 29.99 28.77 1qvg n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qvg n GLY 14 N -1.30 0.49 0.24 -1.41 0.00 -1.26 -4.93 105.19 97.02 1qvg n GLY 14 Ca 0.09 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1qvg n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvg n GLY 15 N -2.67 -0.59 3.61 -0.02 0.00 -0.21 -5.06 105.19 100.25 1qvg n GLY 15 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1qvg n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvg n GLY 16 N 1.41 0.68 3.69 -0.02 0.00 -1.26 -4.78 105.19 104.91 1qvg n GLY 16 Ca 0.09 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.49 1qvg n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qvg n SER 17 N 2.67 3.49 0.00 1.61 2.88 -1.26 -4.75 113.62 118.25 1qvg n SER 17 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1qvg n SER 17 Cb 0.00 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 1qvg n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qvg n HIS 18 N 3.66 0.00 0.84 0.66 -0.00 -1.26 0.03 115.22 119.15 1qvg n HIS 18 Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.01 1qvg n HIS 18 Cb 0.31 -0.16 0.28 0.00 -0.00 0.00 0.00 29.99 30.43 1qvg n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1qvg n LYS 19 N -1.10 0.11 0.04 -1.40 5.02 -1.26 -4.51 118.16 115.05 1qvg n LYS 19 Ca 0.00 0.04 -0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1qvg n LYS 19 Cb 0.03 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1qvg n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1qvg h ASN 20 N 0.00 -0.11 -0.15 4.39 2.35 -0.70 -3.42 115.58 117.94 1qvg h ASN 20 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1qvg h ASN 20 Cb 0.59 0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.00 1qvg h ASN 20 CO 0.00 0.06 0.44 0.54 -1.65 0.00 0.00 177.43 176.82 1qvg n ARG 21 N -3.13 0.45 0.00 0.81 1.74 -1.26 -4.69 116.66 110.58 1qvg n ARG 21 Ca -0.02 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 1qvg n ARG 21 Cb 0.05 -3.73 0.00 0.00 -1.02 0.00 0.00 32.46 27.76 1qvg n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1qvg n ARG 22 N 8.12 0.00 -0.41 5.56 1.74 -1.26 -5.15 116.66 125.25 1qvg n ARG 22 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1qvg n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1qvg n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvg n GLY 23 N 5.00 3.57 0.27 -0.13 0.00 -1.26 -4.95 105.19 107.69 1qvg n GLY 23 Ca 0.00 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 44.04 1qvg n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg h ALA 24 N -0.02 1.43 -0.48 4.61 0.00 -1.99 -0.72 119.26 122.09 1qvg h ALA 24 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1qvg h ALA 24 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qvg h ALA 24 CO 0.00 -0.43 0.17 0.78 0.00 0.00 0.00 179.25 179.77 1qvg h GLY 25 N 0.00 0.75 2.00 0.00 0.00 -1.93 0.95 103.07 104.85 1qvg h GLY 25 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1qvg h GLY 25 CO 0.00 0.36 0.00 1.57 0.00 0.00 0.00 176.54 178.47 1qvg n HIS 26 N -4.34 0.59 0.66 5.60 -0.00 -0.27 -1.81 115.22 115.65 1qvg n HIS 26 Ca 0.04 0.25 0.07 0.00 -0.00 0.00 0.00 57.72 58.08 1qvg n HIS 26 Cb 0.17 -0.90 -0.02 0.00 -0.00 0.00 0.00 29.99 29.24 1qvg n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1qvg n ARG 27 N -2.05 1.86 -1.53 1.57 1.74 0.11 -4.97 116.66 113.38 1qvg n ARG 27 Ca 0.02 -0.63 -0.03 0.00 -0.77 0.00 0.00 57.85 56.44 1qvg n ARG 27 Cb 0.17 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1qvg n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvg n GLY 28 N 1.14 0.43 0.00 -0.13 0.00 -0.42 -4.86 105.19 101.36 1qvg n GLY 28 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1qvg n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvg n GLY 29 N -1.89 2.90 3.73 -0.02 0.00 0.07 -4.66 105.19 105.31 1qvg n GLY 29 Ca -0.03 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1qvg n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qvg s ARG 30 N -3.07 4.37 6.71 1.61 6.06 -1.26 -4.62 118.95 128.76 1qvg s ARG 30 Ca 0.00 2.03 0.00 0.00 -2.50 0.00 0.00 55.73 55.26 1qvg s ARG 30 Cb 0.00 -3.23 0.00 0.00 0.06 0.00 0.00 34.95 31.78 1qvg s ARG 30 CO 0.00 -0.31 0.00 0.41 -2.50 0.00 0.00 175.30 172.90 1qvg n GLY 31 N 2.83 3.62 1.22 8.12 0.00 -1.26 -2.29 105.19 117.42 1qvg n GLY 31 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1qvg n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qvg n ASP 32 N 5.39 3.12 -4.68 1.61 8.00 -1.26 -4.96 116.55 123.77 1qvg n ASP 32 Ca 0.00 -2.48 -0.45 0.00 0.71 0.00 0.00 54.79 52.57 1qvg n ASP 32 Cb 0.00 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1qvg n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qvg n ALA 33 N 0.14 1.63 -0.96 2.24 0.00 -0.97 -1.59 120.51 121.00 1qvg n ALA 33 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1qvg n ALA 33 Cb 0.75 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1qvg n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 34 N 3.09 0.46 0.12 0.00 0.00 -1.26 -4.77 105.19 102.83 1qvg n GLY 34 Ca 0.15 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1qvg n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qvg n ARG 35 N -2.96 0.10 0.00 1.61 -4.01 -0.62 -0.82 116.66 109.96 1qvg n ARG 35 Ca 0.00 0.58 0.03 0.00 -1.04 0.00 0.00 57.85 57.42 1qvg n ARG 35 Cb 0.00 -1.89 -0.03 0.00 -3.04 0.00 0.00 32.46 27.50 1qvg n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1qvg n ASP 36 N -2.02 0.30 0.00 2.89 5.75 -1.26 -3.55 116.55 118.66 1qvg n ASP 36 Ca -0.01 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1qvg n ASP 36 Cb 0.09 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 1qvg n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1qvg n LYS 37 N -1.13 0.00 0.24 0.11 4.76 0.00 -4.76 118.16 117.39 1qvg n LYS 37 Ca 0.01 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1qvg n LYS 37 Cb 0.10 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 33.91 1qvg n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1qvg h HIS 38 N 0.00 0.00 -0.39 2.13 2.07 -1.93 -3.09 115.15 113.94 1qvg h HIS 38 Ca 0.00 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.29 1qvg h HIS 38 Cb 0.00 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 29.84 1qvg h HIS 38 CO 0.00 0.16 -0.18 0.39 -3.07 0.00 0.00 177.93 175.23 1qvg n GLU 39 N -3.94 2.04 0.10 5.12 1.02 -0.58 -4.72 120.64 119.69 1qvg n GLU 39 Ca -0.02 -3.33 0.06 0.00 -0.02 0.00 0.00 57.16 53.84 1qvg n GLU 39 Cb 0.25 -1.87 0.52 0.00 -0.02 0.00 0.00 31.44 30.31 1qvg n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1qvg h PHE 40 N 1.19 0.30 -1.08 -0.32 -5.15 -1.49 -3.41 116.94 106.98 1qvg h PHE 40 Ca 0.23 0.01 -0.80 0.00 -0.20 0.00 0.00 57.97 57.21 1qvg h PHE 40 Cb 1.52 -0.10 0.04 0.00 0.22 0.00 0.00 35.95 37.63 1qvg h PHE 40 CO 1.01 0.19 0.29 0.72 -2.00 0.00 0.00 178.31 178.52 1qvg n HIS 41 N -4.50 1.06 -3.50 6.09 -0.00 -1.26 -2.69 115.22 110.42 1qvg n HIS 41 Ca 0.01 1.03 -0.20 0.00 -0.00 0.00 0.00 57.72 58.55 1qvg n HIS 41 Cb 0.08 -2.16 0.08 0.00 -0.00 0.00 0.00 29.99 28.00 1qvg n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1qvg n ASN 42 N 2.39 -4.24 -3.95 0.41 5.03 -1.26 -5.02 115.26 108.62 1qvg n ASN 42 Ca 0.23 -0.57 -0.22 0.00 0.87 0.00 0.00 54.58 54.89 1qvg n ASN 42 Cb 0.06 -5.03 -0.16 0.00 -1.02 0.00 0.00 39.78 33.62 1qvg n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1qvg s HIS 43 N -3.34 1.03 0.49 3.10 3.76 -1.10 -5.11 115.29 114.13 1qvg s HIS 43 Ca 0.30 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.64 1qvg s HIS 43 Cb -0.13 -0.82 -0.07 0.00 1.11 0.00 0.00 32.58 32.67 1qvg s HIS 43 CO 0.72 -0.21 1.33 0.39 -0.85 0.00 0.00 174.74 176.12 1qvg n GLU 44 N 3.87 1.86 -1.07 1.40 1.02 -1.26 -4.90 120.64 121.56 1qvg n GLU 44 Ca -0.24 0.67 -0.34 0.00 -0.02 0.00 0.00 57.16 57.24 1qvg n GLU 44 Cb 0.51 -2.51 0.13 0.00 -0.02 0.00 0.00 31.44 29.55 1qvg n GLU 44 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1qvg n PRO 45 N -0.51 0.12 -1.09 3.49 -0.04 -1.26 -4.99 135.00 130.71 1qvg n PRO 45 Ca 0.08 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 1qvg n PRO 45 Cb 0.43 -2.34 0.11 0.00 -0.04 0.00 0.00 33.50 31.66 1qvg n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qvg s LEU 46 N -4.91 2.98 0.00 1.53 1.43 -1.26 -4.99 118.68 113.47 1qvg s LEU 46 Ca 0.71 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 1qvg s LEU 46 Cb -0.29 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.40 1qvg s LEU 46 CO 0.53 -2.37 0.00 0.61 0.23 0.00 0.00 176.35 175.35 1qvg n GLY 47 N -0.75 3.68 3.89 -3.19 0.00 -1.26 -5.08 105.19 102.48 1qvg n GLY 47 Ca 0.10 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1qvg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvg s LYS 48 N -3.11 3.68 -0.21 1.61 1.02 -1.26 -5.09 119.74 116.38 1qvg s LYS 48 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 1qvg s LYS 48 Cb 0.00 -2.81 0.11 0.00 -0.52 0.00 0.00 37.83 34.60 1qvg s LYS 48 CO 0.00 0.44 0.32 0.45 -0.92 0.00 0.00 175.35 175.64 1qvg s SER 49 N -2.33 0.55 0.24 2.83 0.15 -1.26 -5.13 113.70 108.74 1qvg s SER 49 Ca 0.42 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.29 1qvg s SER 49 Cb -0.12 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1qvg s SER 49 CO 0.23 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1qvg n GLY 50 N 5.35 -0.80 3.51 9.45 0.00 -1.26 -5.00 105.19 116.44 1qvg n GLY 50 Ca -0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1qvg n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qvg s PHE 51 N 0.00 0.50 0.04 1.61 -0.12 -1.26 -5.17 117.98 113.58 1qvg s PHE 51 Ca 0.00 -0.84 0.06 0.00 -0.05 0.00 0.00 56.93 56.10 1qvg s PHE 51 Cb 0.00 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1qvg s PHE 51 CO 0.00 -0.92 -0.17 0.15 -0.05 0.00 0.00 175.22 174.24 1qvg s LYS 52 N -4.04 1.11 -0.01 1.99 1.02 -1.26 -5.12 119.74 113.43 1qvg s LYS 52 Ca 0.25 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 1qvg s LYS 52 Cb 0.01 -1.16 -0.05 0.00 -0.52 0.00 0.00 37.83 36.10 1qvg s LYS 52 CO 0.09 0.29 0.53 1.03 -0.92 0.00 0.00 175.35 176.37 1qvg s ARG 53 N -1.14 4.22 0.00 1.68 0.52 -1.26 -5.00 118.95 117.97 1qvg s ARG 53 Ca 0.04 0.62 -0.39 0.00 -0.52 0.00 0.00 55.73 55.48 1qvg s ARG 53 Cb -0.08 -3.31 -0.18 0.00 0.52 0.00 0.00 34.95 31.89 1qvg s ARG 53 CO 0.01 0.45 1.26 -0.35 0.02 0.00 0.00 175.30 176.70 1qvg n PRO 54 N 2.50 0.62 -0.31 3.54 -0.04 -1.26 -4.81 135.00 135.24 1qvg n PRO 54 Ca -0.09 0.22 0.21 0.00 -0.04 0.00 0.00 63.50 63.81 1qvg n PRO 54 Cb 0.51 -1.80 0.40 0.00 -0.04 0.00 0.00 33.50 32.57 1qvg n PRO 54 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1qvg n GLN 55 N 2.33 -0.07 -0.16 0.54 6.02 -1.26 -0.43 117.38 124.35 1qvg n GLN 55 Ca 0.20 1.35 0.00 0.00 -0.01 0.00 0.00 57.00 58.54 1qvg n GLN 55 Cb 0.13 -2.26 0.06 0.00 1.02 0.00 0.00 30.24 29.19 1qvg n GLN 55 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1qvg n LYS 56 N -5.25 1.58 -0.05 -1.09 2.85 -1.26 -2.43 118.16 112.50 1qvg n LYS 56 Ca 0.28 -0.52 0.02 0.00 -1.05 0.00 0.00 58.31 57.05 1qvg n LYS 56 Cb 0.94 -1.56 0.03 0.00 -0.65 0.00 0.00 35.03 33.79 1qvg n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1qvg n VAL 57 N 0.12 0.93 -4.26 0.58 0.31 0.42 -5.02 118.33 111.41 1qvg n VAL 57 Ca 0.05 -1.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.02 1qvg n VAL 57 Cb 0.45 0.43 -0.09 0.00 -0.91 0.00 0.00 33.84 33.72 1qvg n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1qvg s GLN 58 N -1.15 3.22 -0.13 5.55 -0.21 -1.02 -4.98 119.66 120.93 1qvg s GLN 58 Ca 0.07 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 55.06 1qvg s GLN 58 Cb 0.06 -2.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 1qvg s GLN 58 CO 0.01 0.63 -0.07 -1.21 -2.12 0.00 0.00 175.29 172.53 1qvg s GLU 59 N -0.66 3.42 -0.32 2.91 2.02 -1.26 -5.07 118.70 119.73 1qvg s GLU 59 Ca 0.11 -0.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 1qvg s GLU 59 Cb -0.12 -2.78 0.05 0.00 0.10 0.00 0.00 34.13 31.38 1qvg s GLU 59 CO 0.02 0.32 0.05 -2.00 0.02 0.00 0.00 175.26 173.68 1qvg s GLU 60 N 0.11 2.45 -0.12 1.61 2.12 -1.26 -5.01 118.70 118.61 1qvg s GLU 60 Ca -0.02 -1.29 -0.26 0.00 0.36 0.00 0.00 54.97 53.75 1qvg s GLU 60 Cb -0.14 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1qvg s GLU 60 CO 0.03 -0.68 0.85 0.00 -0.54 0.00 0.00 175.26 174.92 1qvg s ALA 61 N 1.29 3.41 -0.39 6.30 0.00 -1.26 -1.16 121.76 129.95 1qvg s ALA 61 Ca -0.03 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.83 1qvg s ALA 61 Cb -0.20 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1qvg s ALA 61 CO -0.00 -0.47 1.01 0.00 0.00 0.00 0.00 175.76 176.30 1qvg s ALA 62 N 1.70 3.35 0.17 0.00 0.00 -0.04 -4.91 121.76 122.03 1qvg s ALA 62 Ca 0.41 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1qvg s ALA 62 Cb -0.18 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1qvg s ALA 62 CO 0.16 -1.78 0.17 0.95 0.00 0.00 0.00 175.76 175.27 1qvg s THR 63 N 3.78 4.65 -0.17 0.00 -4.23 -1.26 -0.62 115.64 117.79 1qvg s THR 63 Ca 0.42 -1.03 -0.20 0.00 -1.18 0.00 0.00 61.69 59.69 1qvg s THR 63 Cb -0.11 -3.39 0.05 0.00 1.34 0.00 0.00 72.50 70.40 1qvg s THR 63 CO 0.22 -0.13 0.55 -0.51 -0.54 0.00 0.00 174.62 174.21 1qvg s ILE 64 N -1.78 0.01 0.00 2.99 2.07 -0.83 -4.96 121.20 118.69 1qvg s ILE 64 Ca 0.32 -0.05 -0.09 0.00 -1.41 0.00 0.00 60.65 59.42 1qvg s ILE 64 Cb -0.10 -0.79 -0.05 0.00 0.13 0.00 0.00 42.46 41.65 1qvg s ILE 64 CO 0.25 -0.03 0.30 -1.81 -1.91 0.00 0.00 174.94 171.74 1qvg s ASP 65 N -0.06 6.57 0.29 4.50 1.01 -1.26 0.99 116.67 128.72 1qvg s ASP 65 Ca -0.03 0.67 0.03 0.00 0.71 0.00 0.00 52.55 53.94 1qvg s ASP 65 Cb -0.04 -2.14 0.73 0.00 1.01 0.00 0.00 42.92 42.49 1qvg s ASP 65 CO 0.02 0.27 1.68 -0.37 0.21 0.00 0.00 175.17 176.98 1qvg h VAL 66 N 3.27 0.41 -1.06 -1.27 -1.51 -1.29 0.76 116.25 115.56 1qvg h VAL 66 Ca -0.51 -0.11 0.29 0.00 -1.23 0.00 0.00 66.70 65.15 1qvg h VAL 66 Cb 1.21 0.06 -0.12 0.00 -2.13 0.00 0.00 31.29 30.31 1qvg h VAL 66 CO 0.64 0.06 0.65 -0.09 -1.23 0.00 0.00 177.57 177.60 1qvg h ARG 67 N 0.32 0.38 0.09 5.19 2.43 -1.61 1.00 114.38 122.19 1qvg h ARG 67 Ca 0.56 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1qvg h ARG 67 Cb 1.10 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1qvg h ARG 67 CO -0.58 0.25 -0.04 1.49 -1.51 0.00 0.00 179.97 179.58 1qvg h GLU 68 N 0.40 -0.12 0.06 0.20 4.81 -1.14 -0.60 114.58 118.18 1qvg h GLU 68 Ca 0.67 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.91 1qvg h GLU 68 Cb 1.59 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 1qvg h GLU 68 CO -0.42 0.37 -0.24 0.82 -0.73 0.00 0.00 179.01 178.80 1qvg h ILE 69 N -0.69 0.00 -1.00 2.32 2.04 -1.27 -2.64 117.51 116.27 1qvg h ILE 69 Ca -0.01 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.05 1qvg h ILE 69 Cb 0.54 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.51 1qvg h ILE 69 CO 0.02 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 178.00 1qvg h ASP 70 N -0.34 0.73 0.67 1.72 3.58 -0.93 -0.72 116.42 121.13 1qvg h ASP 70 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1qvg h ASP 70 Cb 0.34 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1qvg h ASP 70 CO -0.13 0.22 0.00 -0.33 -2.88 0.00 0.00 179.24 176.13 1qvg h GLU 71 N 0.69 0.00 -0.28 0.28 5.08 -0.75 -3.16 114.58 116.45 1qvg h GLU 71 Ca 0.59 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.72 1qvg h GLU 71 Cb 1.02 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.96 1qvg h GLU 71 CO -0.39 0.00 -0.87 0.09 -1.00 0.00 0.00 179.01 176.84 1qvg n ASN 72 N -2.37 2.25 -0.04 1.42 3.02 -0.30 -4.82 115.26 114.42 1qvg n ASN 72 Ca 0.01 -2.91 -0.12 0.00 -0.03 0.00 0.00 54.58 51.53 1qvg n ASN 72 Cb 0.21 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 1qvg n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1qvg h VAL 73 N 3.97 1.29 -0.21 2.41 -1.51 -1.46 -1.71 116.25 119.03 1qvg h VAL 73 Ca -0.01 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1qvg h VAL 73 Cb 1.43 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.27 1qvg h VAL 73 CO 0.25 0.28 0.14 0.71 -1.23 0.00 0.00 177.57 177.72 1qvg h THR 74 N -0.07 1.05 0.00 7.19 1.35 -1.87 -1.99 112.91 118.57 1qvg h THR 74 Ca 0.03 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1qvg h THR 74 Cb 0.46 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1qvg h THR 74 CO 0.01 0.05 0.00 -0.07 -0.25 0.00 0.00 175.52 175.27 1qvg h LEU 75 N 0.28 0.00 -4.96 3.87 3.38 -1.88 -2.79 115.31 113.21 1qvg h LEU 75 Ca 0.08 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.44 1qvg h LEU 75 Cb -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.54 1qvg h LEU 75 CO -0.02 0.00 0.98 0.18 0.09 0.00 0.00 178.44 179.67 1qvg n LEU 76 N -2.84 7.03 -0.02 1.67 4.77 -0.65 -4.68 117.00 122.29 1qvg n LEU 76 Ca -0.02 -4.45 0.20 0.00 -0.03 0.00 0.00 56.01 51.71 1qvg n LEU 76 Cb 0.12 -1.23 0.67 0.00 -2.33 0.00 0.00 43.42 40.64 1qvg n LEU 76 CO 0.19 1.83 1.19 0.00 -1.33 0.00 0.00 177.39 179.27 1qvg h ALA 77 N 3.43 2.46 -0.05 -1.18 0.00 -1.66 -2.07 119.26 120.19 1qvg h ALA 77 Ca 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1qvg h ALA 77 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1qvg h ALA 77 CO 1.11 -0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.78 1qvg n ALA 78 N -2.63 3.72 -3.68 0.00 0.00 -1.26 -4.75 120.51 111.91 1qvg n ALA 78 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1qvg n ALA 78 Cb 0.60 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 1qvg n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qvg s ASP 79 N 1.56 -0.45 0.00 0.00 1.01 -0.78 -5.15 116.67 112.87 1qvg s ASP 79 Ca 0.03 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.23 1qvg s ASP 79 Cb 0.02 0.96 0.00 0.00 1.01 0.00 0.00 42.92 44.92 1qvg s ASP 79 CO 0.00 -0.21 0.00 0.47 0.21 0.00 0.00 175.17 175.64 1qvg n ASP 80 N 4.61 0.00 -4.28 0.27 9.92 -1.25 -4.83 116.55 121.00 1qvg n ASP 80 Ca -0.19 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.79 1qvg n ASP 80 Cb 0.54 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.86 1qvg n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1qvg s VAL 81 N 0.00 1.86 0.00 2.53 1.01 -1.26 -2.22 120.40 122.32 1qvg s VAL 81 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1qvg s VAL 81 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1qvg s VAL 81 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.51 1qvg n ALA 82 N 2.18 0.00 0.14 5.51 0.00 -1.26 -4.87 120.51 122.22 1qvg n ALA 82 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1qvg n ALA 82 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 1qvg n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1qvg n GLU 83 N 0.00 0.04 -3.49 0.00 0.28 -1.26 -5.03 120.64 111.18 1qvg n GLU 83 Ca 0.00 0.47 -0.26 0.00 -0.16 0.00 0.00 57.16 57.21 1qvg n GLU 83 Cb 0.00 -2.15 -0.02 0.00 1.43 0.00 0.00 31.44 30.69 1qvg n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1qvg s PHE 89 N -3.04 3.49 -0.15 -1.84 0.40 0.76 -5.07 117.98 112.52 1qvg s PHE 89 Ca -0.01 0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.74 1qvg s PHE 89 Cb 0.02 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.65 1qvg s PHE 89 CO 0.05 0.23 -0.05 0.50 0.70 0.00 0.00 175.22 176.65 1qvg s ARG 90 N -3.74 1.42 -0.04 0.44 3.52 -0.94 0.24 118.95 119.85 1qvg s ARG 90 Ca 0.40 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 1qvg s ARG 90 Cb -0.10 -1.89 0.02 0.00 -1.56 0.00 0.00 34.95 31.42 1qvg s ARG 90 CO 0.32 -0.40 -0.05 0.54 -0.81 0.00 0.00 175.30 174.90 1qvg s VAL 91 N 1.66 0.56 -0.45 7.11 0.11 -0.28 -3.74 120.40 125.37 1qvg s VAL 91 Ca 0.02 -0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 1qvg s VAL 91 Cb -0.15 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1qvg s VAL 91 CO -0.08 0.22 0.97 -0.62 -3.33 0.00 0.00 175.10 172.26 1qvg s ASP 92 N 0.73 6.55 0.27 3.54 -1.08 -1.26 -2.43 116.67 122.99 1qvg s ASP 92 Ca -0.10 0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 1qvg s ASP 92 Cb -0.13 -2.47 0.56 0.00 -1.46 0.00 0.00 42.92 39.42 1qvg s ASP 92 CO 0.00 -1.06 1.78 0.58 0.52 0.00 0.00 175.17 177.00 1qvg h VAL 93 N 6.07 0.78 -0.91 1.11 2.07 -1.36 -1.78 116.25 122.23 1qvg h VAL 93 Ca -0.24 -0.25 0.26 0.00 0.82 0.00 0.00 66.70 67.29 1qvg h VAL 93 Cb 1.07 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1qvg h VAL 93 CO 1.04 0.14 0.73 0.03 0.02 0.00 0.00 177.57 179.53 1qvg h ARG 94 N 0.74 0.00 0.00 1.57 3.08 -1.92 0.86 114.38 118.71 1qvg h ARG 94 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1qvg h ARG 94 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1qvg h ARG 94 CO -0.34 0.00 -0.49 -0.25 -1.07 0.00 0.00 179.97 177.83 1qvg n ASP 95 N -4.00 0.50 -0.10 7.04 8.00 -0.67 -4.36 116.55 122.96 1qvg n ASP 95 Ca 0.19 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.42 1qvg n ASP 95 Cb 1.05 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 42.24 1qvg n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1qvg n VAL 96 N -1.65 1.50 -1.70 2.53 0.31 0.29 -4.95 118.33 114.66 1qvg n VAL 96 Ca 0.05 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.91 1qvg n VAL 96 Cb 0.36 -2.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 1qvg n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1qvg n VAL 97 N -4.43 0.15 -1.95 2.52 0.31 -0.70 -5.00 118.33 109.24 1qvg n VAL 97 Ca -0.30 -0.03 -0.31 0.00 -0.01 0.00 0.00 64.34 63.69 1qvg n VAL 97 Cb 0.62 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1qvg n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1qvg s GLU 98 N 1.80 3.65 -0.30 5.55 2.02 -1.26 -3.41 118.70 126.75 1qvg s GLU 98 Ca 0.79 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1qvg s GLU 98 Cb -0.53 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1qvg s GLU 98 CO 0.36 -0.53 0.00 0.39 0.02 0.00 0.00 175.26 175.50 1qvg n GLU 99 N -2.57 -0.80 0.00 1.61 1.02 -1.26 -4.86 120.64 113.79 1qvg n GLU 99 Ca 0.06 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1qvg n GLU 99 Cb 0.54 -4.13 0.00 0.00 -0.02 0.00 0.00 31.44 27.83 1qvg n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qvg n ALA 100 N 1.05 2.31 -0.07 0.62 0.00 -1.22 -3.28 120.51 119.92 1qvg n ALA 100 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1qvg n ALA 100 Cb 0.24 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 1qvg n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qvg n ASP 101 N -0.44 1.45 0.00 0.00 8.00 -1.26 -4.44 116.55 119.85 1qvg n ASP 101 Ca 0.00 0.24 0.01 0.00 0.71 0.00 0.00 54.79 55.75 1qvg n ASP 101 Cb 0.02 -0.57 0.07 0.00 -0.02 0.00 0.00 41.12 40.62 1qvg n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1qvg n ASP 102 N -3.95 0.00 -4.89 -2.24 5.75 -1.24 -4.75 116.55 105.23 1qvg n ASP 102 Ca -0.25 -1.49 -0.35 0.00 -0.01 0.00 0.00 54.79 52.69 1qvg n ASP 102 Cb 0.58 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.62 1qvg n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qvg s ALA 103 N -2.00 3.92 -1.05 2.12 0.00 -1.20 -4.95 121.76 118.60 1qvg s ALA 103 Ca 0.03 -0.70 0.18 0.00 0.00 0.00 0.00 51.96 51.47 1qvg s ALA 103 Cb 0.02 -1.93 0.78 0.00 0.00 0.00 0.00 23.12 21.99 1qvg s ALA 103 CO 0.03 0.70 1.57 -3.47 0.00 0.00 0.00 175.76 174.58 1qvg n ASP 104 N 1.32 0.00 0.00 0.00 -0.08 -0.31 -4.88 116.55 112.60 1qvg n ASP 104 Ca -0.14 0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1qvg n ASP 104 Cb 0.53 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1qvg n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qvg n TYR 105 N -1.47 0.00 -3.62 -0.67 0.18 -1.26 -4.99 117.16 105.33 1qvg n TYR 105 Ca 0.05 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.46 1qvg n TYR 105 Cb 0.20 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.10 1qvg n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1qvg s VAL 106 N -2.00 5.29 -0.05 -3.48 1.01 -1.26 -0.86 120.40 119.05 1qvg s VAL 106 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1qvg s VAL 106 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1qvg s VAL 106 CO 0.00 0.50 -0.08 -0.75 0.00 0.00 0.00 175.10 174.77 1qvg s LYS 107 N -0.33 1.16 -0.10 2.72 2.20 0.21 -2.00 119.74 123.60 1qvg s LYS 107 Ca 0.18 -0.25 -0.13 0.00 -0.36 0.00 0.00 55.97 55.40 1qvg s LYS 107 Cb -0.14 -1.04 -0.05 0.00 -1.51 0.00 0.00 37.83 35.09 1qvg s LYS 107 CO 0.06 -0.00 0.32 0.08 -0.36 0.00 0.00 175.35 175.45 1qvg s VAL 108 N 0.66 5.24 0.16 4.02 1.01 0.31 -1.96 120.40 129.84 1qvg s VAL 108 Ca -0.11 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1qvg s VAL 108 Cb -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1qvg s VAL 108 CO 0.02 0.49 -0.02 -0.76 0.00 0.00 0.00 175.10 174.82 1qvg s LEU 109 N -0.29 3.28 -1.19 3.92 1.43 0.28 -2.80 118.68 123.31 1qvg s LEU 109 Ca 0.19 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1qvg s LEU 109 Cb -0.14 -1.96 0.21 0.00 0.03 0.00 0.00 46.19 44.33 1qvg s LEU 109 CO 0.07 0.11 2.10 0.61 0.23 0.00 0.00 176.35 179.48 1qvg n GLY 110 N 0.08 5.61 3.43 -3.19 0.00 -1.26 -1.19 105.19 108.67 1qvg n GLY 110 Ca -0.10 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.27 1qvg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg s ALA 111 N -2.54 3.02 0.00 4.61 0.00 -1.26 -4.68 121.76 120.90 1qvg s ALA 111 Ca 0.46 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1qvg s ALA 111 Cb 0.18 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1qvg s ALA 111 CO -0.10 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1qvg n GLY 112 N 4.33 -1.16 3.87 0.00 0.00 -1.26 -2.26 105.19 108.72 1qvg n GLY 112 Ca -0.17 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 1qvg n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qvg s GLN 113 N 0.00 2.35 -0.29 1.61 -0.21 -1.26 -4.88 119.66 116.99 1qvg s GLN 113 Ca 0.00 -1.80 -0.04 0.00 0.02 0.00 0.00 55.36 53.54 1qvg s GLN 113 Cb 0.00 -2.20 0.10 0.00 1.00 0.00 0.00 33.01 31.90 1qvg s GLN 113 CO 0.00 -0.40 0.12 0.08 -2.12 0.00 0.00 175.29 172.98 1qvg s VAL 114 N -2.63 0.05 -0.38 1.09 1.01 -1.26 -4.13 120.40 114.15 1qvg s VAL 114 Ca 0.41 -0.81 0.13 0.00 0.00 0.00 0.00 61.98 61.72 1qvg s VAL 114 Cb -0.02 -1.05 0.76 0.00 0.00 0.00 0.00 36.38 36.07 1qvg s VAL 114 CO 0.25 -0.70 1.65 0.54 0.00 0.00 0.00 175.10 176.84 1qvg n ARG 115 N 5.20 4.54 -3.89 2.72 1.74 -1.26 -4.76 116.66 120.95 1qvg n ARG 115 Ca -0.06 -2.91 -0.09 0.00 -0.77 0.00 0.00 57.85 54.03 1qvg n ARG 115 Cb 0.42 -2.19 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 1qvg n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1qvg s HIS 116 N -2.57 0.19 -0.26 -1.55 3.76 -1.26 -5.10 115.29 108.50 1qvg s HIS 116 Ca 0.50 -0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 54.54 1qvg s HIS 116 Cb 0.38 -0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.98 1qvg s HIS 116 CO 0.15 -0.50 0.99 -1.83 -0.85 0.00 0.00 174.74 172.70 1qvg s GLU 117 N -3.64 4.18 -0.03 1.40 -1.05 -1.23 -4.80 118.70 113.53 1qvg s GLU 117 Ca 0.03 1.16 0.05 0.00 -0.15 0.00 0.00 54.97 56.07 1qvg s GLU 117 Cb 0.04 -3.67 -0.01 0.00 -0.44 0.00 0.00 34.13 30.05 1qvg s GLU 117 CO -0.10 -0.67 -0.19 -0.51 0.95 0.00 0.00 175.26 174.75 1qvg s LEU 118 N 3.21 1.99 -0.43 1.83 1.43 -1.26 -0.17 118.68 125.28 1qvg s LEU 118 Ca 0.42 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 1qvg s LEU 118 Cb -0.14 -1.00 0.11 0.00 0.03 0.00 0.00 46.19 45.19 1qvg s LEU 118 CO 0.09 0.20 0.26 -0.89 0.23 0.00 0.00 176.35 176.24 1qvg s THR 119 N -0.25 3.71 -0.18 5.49 2.01 0.14 -0.18 115.64 126.38 1qvg s THR 119 Ca 0.03 -1.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.06 1qvg s THR 119 Cb -0.09 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1qvg s THR 119 CO 0.01 -0.70 0.10 -0.76 -0.69 0.00 0.00 174.62 172.58 1qvg s LEU 120 N 1.25 4.07 -0.24 4.42 1.43 -0.07 -1.12 118.68 128.42 1qvg s LEU 120 Ca 0.06 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1qvg s LEU 120 Cb -0.24 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1qvg s LEU 120 CO -0.02 0.21 -0.10 -0.63 0.23 0.00 0.00 176.35 176.04 1qvg s ILE 121 N 0.15 2.59 0.33 -0.59 1.01 -1.02 0.40 121.20 124.07 1qvg s ILE 121 Ca 0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1qvg s ILE 121 Cb -0.12 -2.31 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1qvg s ILE 121 CO -0.00 0.23 0.43 0.00 0.00 0.00 0.00 174.94 175.60 1qvg s ALA 122 N 1.28 0.93 -0.52 9.38 0.00 -1.10 -0.81 121.76 130.92 1qvg s ALA 122 Ca -0.00 -1.60 0.24 0.00 0.00 0.00 0.00 51.96 50.60 1qvg s ALA 122 Cb -0.16 1.21 0.33 0.00 0.00 0.00 0.00 23.12 24.50 1qvg s ALA 122 CO -0.06 -0.77 1.37 -0.44 0.00 0.00 0.00 175.76 175.86 1qvg h ASP 123 N 2.13 0.00 -3.93 0.00 3.32 -1.75 -0.46 116.42 115.73 1qvg h ASP 123 Ca -0.28 -0.09 0.12 0.00 0.02 0.00 0.00 57.03 56.80 1qvg h ASP 123 Cb 1.24 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.55 1qvg h ASP 123 CO 0.39 0.04 0.64 -0.62 -1.72 0.00 0.00 179.24 177.97 1qvg s ASP 124 N -4.90 -0.29 0.14 6.45 2.15 -0.85 -4.06 116.67 115.30 1qvg s ASP 124 Ca 0.05 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1qvg s ASP 124 Cb 0.11 0.24 -0.04 0.00 -0.30 0.00 0.00 42.92 42.93 1qvg s ASP 124 CO 0.71 -0.28 0.02 -0.36 -0.17 0.00 0.00 175.17 175.09 1qvg s PHE 125 N -1.20 0.96 0.27 -5.34 0.40 -1.26 -0.53 117.98 111.27 1qvg s PHE 125 Ca 0.01 -1.13 0.07 0.00 -0.60 0.00 0.00 56.93 55.29 1qvg s PHE 125 Cb -0.01 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.94 1qvg s PHE 125 CO -0.01 -0.38 0.20 -1.54 0.70 0.00 0.00 175.22 174.20 1qvg s SER 126 N -3.08 5.43 0.11 1.36 1.04 -1.12 -4.95 113.70 112.49 1qvg s SER 126 Ca 0.22 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 1qvg s SER 126 Cb 0.07 -1.29 -0.11 0.00 0.10 0.00 0.00 66.02 64.79 1qvg s SER 126 CO 0.01 -0.10 1.48 -0.33 0.98 0.00 0.00 173.24 175.29 1qvg h GLU 127 N 1.46 -0.43 -0.95 4.02 5.08 -2.00 -1.23 114.58 120.53 1qvg h GLU 127 Ca -0.48 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.18 1qvg h GLU 127 Cb 1.24 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 1qvg h GLU 127 CO 0.60 -0.29 0.10 0.78 -1.00 0.00 0.00 179.01 179.21 1qvg h GLY 128 N -0.45 1.32 0.98 -3.84 0.00 -1.95 0.81 103.07 99.93 1qvg h GLY 128 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1qvg h GLY 128 CO -0.44 -0.50 -0.10 0.00 0.00 0.00 0.00 176.54 175.50 1qvg h ALA 129 N 1.93 -0.28 0.73 3.60 0.00 -1.53 -1.84 119.26 121.88 1qvg h ALA 129 Ca 0.60 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 1qvg h ALA 129 Cb 1.25 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1qvg h ALA 129 CO -0.85 -0.65 -0.37 0.00 0.00 0.00 0.00 179.25 177.39 1qvg h ARG 130 N -0.31 -0.97 -0.98 0.00 3.08 -0.10 -1.62 114.38 113.50 1qvg h ARG 130 Ca -0.03 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1qvg h ARG 130 Cb 0.23 0.22 -0.12 0.00 0.08 0.00 0.00 29.97 30.38 1qvg h ARG 130 CO 0.05 -0.65 -0.58 0.93 -1.07 0.00 0.00 179.97 178.65 1qvg h GLU 131 N -1.01 -0.02 -0.51 0.04 5.08 -1.25 0.11 114.58 117.03 1qvg h GLU 131 Ca -0.10 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1qvg h GLU 131 Cb 0.78 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 1qvg h GLU 131 CO 0.15 -0.01 0.13 0.87 -1.00 0.00 0.00 179.01 179.15 1qvg h LYS 132 N -0.02 0.27 -0.12 2.33 1.57 -1.29 0.19 116.57 119.49 1qvg h LYS 132 Ca 0.17 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1qvg h LYS 132 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1qvg h LYS 132 CO -0.93 0.18 -0.18 0.28 -0.57 0.00 0.00 179.45 178.22 1qvg h VAL 133 N 0.27 1.19 0.10 0.50 2.07 -0.02 -2.81 116.25 117.55 1qvg h VAL 133 Ca 0.26 -0.89 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 1qvg h VAL 133 Cb 0.33 1.31 0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1qvg h VAL 133 CO -0.31 0.27 -0.65 -0.33 0.02 0.00 0.00 177.57 176.57 1qvg h GLU 134 N 0.19 0.27 0.00 1.57 5.08 -0.60 0.13 114.58 121.22 1qvg h GLU 134 Ca 0.04 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1qvg h GLU 134 Cb 0.44 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1qvg h GLU 134 CO 0.03 1.17 0.15 0.41 -1.00 0.00 0.00 179.01 179.78 1qvg n GLY 135 N 1.54 -0.66 1.21 -3.84 0.00 0.61 0.50 105.19 104.54 1qvg n GLY 135 Ca -0.13 0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qvg n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg n ALA 136 N -1.61 3.88 -2.99 4.61 0.00 -1.08 -4.92 120.51 118.41 1qvg n ALA 136 Ca -0.01 -2.70 -0.12 0.00 0.00 0.00 0.00 53.44 50.61 1qvg n ALA 136 Cb 0.17 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 18.85 1qvg n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 137 N -0.78 -0.19 3.43 0.00 0.00 0.18 -3.51 105.19 104.32 1qvg n GLY 137 Ca 0.31 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 1qvg n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qvg s GLY 138 N -3.88 2.24 0.06 -0.02 0.00 0.46 -4.19 107.32 101.99 1qvg s GLY 138 Ca 0.04 -1.65 0.02 0.00 0.00 0.00 0.00 44.72 43.14 1qvg s GLY 138 CO 0.52 -1.73 -0.07 -1.35 0.00 0.00 0.00 173.10 170.47 1qvg s SER 139 N -3.48 0.89 -0.19 1.64 1.04 0.75 -3.82 113.70 110.53 1qvg s SER 139 Ca 0.32 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1qvg s SER 139 Cb 0.05 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1qvg s SER 139 CO 0.16 -0.33 -0.12 -0.69 0.98 0.00 0.00 173.24 173.23 1qvg s VAL 140 N -2.38 1.74 -0.21 5.02 1.01 -1.26 -0.90 120.40 123.42 1qvg s VAL 140 Ca -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1qvg s VAL 140 Cb -0.03 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1qvg s VAL 140 CO -0.02 0.24 0.10 -1.61 0.00 0.00 0.00 175.10 173.81 1qvg s GLU 141 N 1.37 4.04 -0.07 2.72 2.02 0.16 -4.97 118.70 123.97 1qvg s GLU 141 Ca -0.00 -0.30 -0.22 0.00 0.02 0.00 0.00 54.97 54.47 1qvg s GLU 141 Cb -0.16 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1qvg s GLU 141 CO -0.09 0.20 0.63 -1.17 0.02 0.00 0.00 175.26 174.85 1qvg s LEU 142 N 0.61 4.32 1.04 1.80 2.96 -1.26 -2.70 118.68 125.45 1qvg s LEU 142 Ca 0.06 1.09 -0.12 0.00 -0.22 0.00 0.00 54.13 54.94 1qvg s LEU 142 Cb -0.12 -2.96 0.21 0.00 0.50 0.00 0.00 46.19 43.82 1qvg s LEU 142 CO 0.01 -0.05 1.07 -0.89 -1.32 0.00 0.00 176.35 175.17 1qvg s THR 143 N 0.59 2.19 0.40 3.68 2.01 -0.18 -4.78 115.64 119.55 1qvg s THR 143 Ca 0.33 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.48 1qvg s THR 143 Cb -0.17 -2.31 0.21 0.00 0.01 0.00 0.00 72.50 70.24 1qvg s THR 143 CO 0.16 -0.08 1.99 0.44 -0.69 0.00 0.00 174.62 176.44 1qvg h ASP 144 N -2.13 0.33 -0.34 3.53 3.32 -1.97 0.57 116.42 119.72 1qvg h ASP 144 Ca -0.55 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.33 1qvg h ASP 144 Cb 1.31 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1qvg h ASP 144 CO 0.52 0.35 -0.29 0.25 -1.72 0.00 0.00 179.24 178.34 1qvg h LEU 145 N 0.36 0.90 -0.83 1.55 6.46 -1.93 -1.42 115.31 120.39 1qvg h LEU 145 Ca 0.09 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1qvg h LEU 145 Cb 0.17 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1qvg h LEU 145 CO -0.00 1.13 0.09 0.61 -0.62 0.00 0.00 178.44 179.64 1qvg n GLY 146 N -0.06 -0.66 1.53 3.75 0.00 0.19 -2.87 105.19 107.07 1qvg n GLY 146 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qvg n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qvg n GLU 147 N -1.93 0.62 -2.62 1.61 1.02 -0.54 -3.92 120.64 114.87 1qvg n GLU 147 Ca -0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.89 1qvg n GLU 147 Cb 0.11 -1.19 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1qvg n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qvg n GLU 148 N 1.46 2.93 -3.58 3.49 1.02 -1.14 -4.93 120.64 119.89 1qvg n GLU 148 Ca 0.00 -4.33 -0.27 0.00 -0.02 0.00 0.00 57.16 52.54 1qvg n GLU 148 Cb 0.31 -2.07 -0.10 0.00 -0.02 0.00 0.00 31.44 29.56 1qvg n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qvg n ARG 149 N -0.34 2.03 0.00 3.49 1.74 -1.25 -5.21 116.66 117.12 1qvg n ARG 149 Ca 0.32 -4.43 0.00 0.00 -0.77 0.00 0.00 57.85 52.97 1qvg n ARG 149 Cb 0.63 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1qvg n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05