#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qov s GLU 2 N 0.00 4.17 0.45 2.12 2.56 -1.26 -0.17 118.70 126.57 2qov s GLU 2 Ca 0.00 2.44 0.06 0.00 0.00 0.00 0.00 54.97 57.47 2qov s GLU 2 Cb 0.00 -3.82 -0.03 0.00 2.00 0.00 0.00 34.13 32.29 2qov s GLU 2 CO 0.00 -0.84 0.22 -0.51 -0.56 0.00 0.00 175.26 173.57 2qov s LEU 3 N 3.39 2.94 0.00 2.70 2.01 -1.26 -4.61 118.68 123.85 2qov s LEU 3 Ca 0.79 -1.17 -0.00 0.00 0.01 0.00 0.00 54.13 53.76 2qov s LEU 3 Cb -0.41 -1.32 0.01 0.00 0.01 0.00 0.00 46.19 44.48 2qov s LEU 3 CO 0.35 -0.71 0.07 0.52 1.01 0.00 0.00 176.35 177.58 2qov n VAL 4 N -1.37 0.00 -1.53 -1.59 0.31 -1.26 -0.70 118.33 112.19 2qov n VAL 4 Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2qov n VAL 4 Cb 0.65 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2qov n VAL 4 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2qov n LEU 5 N 0.00 0.00 0.00 7.52 0.00 -1.24 -4.27 117.00 119.02 2qov n LEU 5 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 56.01 55.54 2qov n LEU 5 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.46 2qov n LEU 5 CO 0.02 0.21 0.00 1.17 0.00 0.00 0.00 177.39 178.80 2qov n LYS 6 N 0.00 0.00 0.00 1.96 0.00 -1.25 -3.76 118.16 115.11 2qov n LYS 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2qov n LYS 6 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 2qov n LYS 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qov n ASP 7 N 3.00 0.00 -0.18 3.14 9.92 -1.26 -3.85 116.55 127.31 2qov n ASP 7 Ca 0.00 0.00 0.29 0.00 -0.53 0.00 0.00 54.79 54.55 2qov n ASP 7 Cb 0.00 0.00 0.73 0.00 -0.64 0.00 0.00 41.12 41.21 2qov n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qov h ALA 8 N -2.09 2.84 -1.15 2.24 0.00 -1.96 -3.45 119.26 115.71 2qov h ALA 8 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2qov h ALA 8 Cb 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2qov h ALA 8 CO 0.00 -1.15 -0.30 1.04 0.00 0.00 0.00 179.25 178.84 2qov n GLN 9 N -4.19 -1.04 -0.62 0.00 6.02 -1.25 -4.86 117.38 111.43 2qov n GLN 9 Ca 0.19 0.90 -0.06 0.00 -0.01 0.00 0.00 57.00 58.02 2qov n GLN 9 Cb 1.00 -5.07 -0.08 0.00 1.02 0.00 0.00 30.24 27.11 2qov n GLN 9 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2qov n SER 10 N -0.45 3.92 0.00 1.08 7.64 -1.26 -4.67 113.62 119.88 2qov n SER 10 Ca -0.15 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2qov n SER 10 Cb 0.52 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2qov n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qov n ALA 11 N 2.30 0.00 -0.41 -0.43 0.00 -1.26 -4.88 120.51 115.83 2qov n ALA 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2qov n ALA 11 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qov n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qov n LEU 12 N 0.00 0.00 -1.03 0.00 -0.00 0.12 -3.60 117.00 112.50 2qov n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2qov n LEU 12 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2qov n LEU 12 CO 0.00 -0.02 -0.29 1.07 -0.00 0.00 0.00 177.39 178.15 2qov n THR 13 N -1.14 -3.79 0.00 1.96 5.66 -1.23 -4.68 114.28 111.05 2qov n THR 13 Ca 0.00 1.55 0.00 0.00 -3.05 0.00 0.00 64.05 62.55 2qov n THR 13 Cb 0.00 -2.16 0.00 0.00 -1.55 0.00 0.00 70.33 66.62 2qov n THR 13 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2qov n VAL 14 N -0.85 0.00 -4.43 1.08 0.24 0.77 -4.75 118.33 110.38 2qov n VAL 14 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2qov n VAL 14 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 2qov n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2qov s SER 15 N 1.69 1.41 0.00 -1.34 0.15 -1.26 -3.60 113.70 110.74 2qov s SER 15 Ca 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2qov s SER 15 Cb 0.00 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2qov s SER 15 CO 0.00 0.02 0.69 1.21 1.20 0.00 0.00 173.24 176.36 2qov n GLU 16 N 3.72 0.71 0.01 5.44 0.00 -1.26 -2.55 120.64 126.71 2qov n GLU 16 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 56.93 2qov n GLU 16 Cb 0.52 -1.03 -0.00 0.00 0.00 0.00 0.00 31.44 30.93 2qov n GLU 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2qov n THR 17 N -0.45 0.48 0.00 6.31 -1.04 -1.26 -2.89 114.28 115.43 2qov n THR 17 Ca 0.00 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2qov n THR 17 Cb 0.01 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2qov n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qov n THR 18 N -2.94 0.97 -1.44 12.58 -2.24 -1.24 -1.24 114.28 118.73 2qov n THR 18 Ca -0.01 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2qov n THR 18 Cb 0.04 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 2qov n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qov n PHE 19 N -1.21 0.00 -0.00 4.78 3.72 -1.06 -4.27 117.46 119.42 2qov n PHE 19 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 2qov n PHE 19 Cb 0.04 0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 2qov n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qov n GLY 20 N 0.00 -0.12 3.27 1.37 0.00 -0.39 -4.71 105.19 104.60 2qov n GLY 20 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2qov n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qov n ARG 21 N -1.66 0.10 -2.58 1.61 3.00 -0.37 -4.87 116.66 111.88 2qov n ARG 21 Ca -0.01 0.05 -0.24 0.00 -0.00 0.00 0.00 57.85 57.65 2qov n ARG 21 Cb 0.14 -1.33 0.04 0.00 0.00 0.00 0.00 32.46 31.31 2qov n ARG 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2qov s ASP 22 N -1.21 5.38 -0.20 6.15 1.47 -1.26 -4.46 116.67 122.54 2qov s ASP 22 Ca 0.55 0.30 -0.25 0.00 1.18 0.00 0.00 52.55 54.34 2qov s ASP 22 Cb -0.35 -1.25 -0.01 0.00 -0.34 0.00 0.00 42.92 40.97 2qov s ASP 22 CO 0.68 -1.11 0.85 0.12 0.68 0.00 0.00 175.17 176.38 2qov s PHE 23 N -2.86 3.37 -0.97 2.11 5.36 -1.26 -4.79 117.98 118.94 2qov s PHE 23 Ca 0.55 1.23 -0.06 0.00 -0.96 0.00 0.00 56.93 57.69 2qov s PHE 23 Cb -0.10 -3.05 0.24 0.00 -0.34 0.00 0.00 43.02 39.77 2qov s PHE 23 CO 0.41 -0.32 0.91 1.21 -1.46 0.00 0.00 175.22 175.97 2qov s ASN 24 N 1.23 6.63 0.33 6.13 3.04 -1.26 -4.92 114.94 126.12 2qov s ASN 24 Ca 0.37 -3.53 0.13 0.00 0.04 0.00 0.00 52.86 49.88 2qov s ASN 24 Cb -0.16 -2.07 1.03 0.00 -1.54 0.00 0.00 41.25 38.51 2qov s ASN 24 CO 0.10 -0.28 1.66 -0.08 -3.04 0.00 0.00 177.10 175.46 2qov h GLU 25 N 6.52 0.29 0.73 0.43 4.81 -2.01 -2.00 114.58 123.36 2qov h GLU 25 Ca 0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2qov h GLU 25 Cb 0.87 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.19 2qov h GLU 25 CO 0.91 0.19 -0.35 0.00 -0.73 0.00 0.00 179.01 179.03 2qov h ALA 26 N 1.84 -1.20 -2.91 2.92 0.00 -2.00 -2.89 119.26 115.02 2qov h ALA 26 Ca 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2qov h ALA 26 Cb 1.59 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2qov h ALA 26 CO -0.62 -1.13 0.00 -0.11 0.00 0.00 0.00 179.25 177.40 2qov n LEU 27 N -4.77 0.00 -0.30 0.00 7.94 -0.76 -2.27 117.00 116.83 2qov n LEU 27 Ca -0.12 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 2qov n LEU 27 Cb 0.39 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.39 2qov n LEU 27 CO 0.29 0.00 0.48 1.33 -1.11 0.00 0.00 177.39 178.38 2qov n VAL 28 N -0.61 -0.40 -0.33 1.96 0.24 -1.18 0.11 118.33 118.11 2qov n VAL 28 Ca 0.00 1.87 0.21 0.00 -2.04 0.00 0.00 64.34 64.38 2qov n VAL 28 Cb 0.00 -2.49 0.41 0.00 -1.47 0.00 0.00 33.84 30.29 2qov n VAL 28 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2qov h HIS 29 N 0.00 0.31 -0.01 6.34 -0.00 -1.23 1.15 115.15 121.72 2qov h HIS 29 Ca 0.30 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 2qov h HIS 29 Cb 0.50 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 2qov h HIS 29 CO -0.69 -0.45 -0.03 0.37 -0.00 0.00 0.00 177.93 177.14 2qov h GLN 30 N 0.01 0.04 0.03 5.26 4.15 0.12 -2.00 115.11 122.71 2qov h GLN 30 Ca 0.70 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 60.12 2qov h GLN 30 Cb 1.63 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.29 2qov h GLN 30 CO -0.86 0.66 -0.22 0.28 -1.93 0.00 0.00 178.83 176.77 2qov h VAL 31 N -0.58 0.49 -0.39 2.39 2.07 0.74 0.27 116.25 121.24 2qov h VAL 31 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2qov h VAL 31 Cb 0.67 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2qov h VAL 31 CO 0.01 0.00 0.14 -0.37 0.02 0.00 0.00 177.57 177.37 2qov h VAL 32 N -0.36 0.89 -0.62 2.57 -1.51 0.96 0.26 116.25 118.44 2qov h VAL 32 Ca 0.05 -0.10 0.08 0.00 -1.23 0.00 0.00 66.70 65.50 2qov h VAL 32 Cb 0.43 0.57 -0.06 0.00 -2.13 0.00 0.00 31.29 30.09 2qov h VAL 32 CO -0.18 0.05 0.29 0.58 -1.23 0.00 0.00 177.57 177.08 2qov h VAL 33 N 0.30 0.86 0.17 7.19 2.07 -0.76 1.54 116.25 127.62 2qov h VAL 33 Ca 0.18 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2qov h VAL 33 Cb 0.15 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2qov h VAL 33 CO -0.18 0.09 -0.37 0.00 0.02 0.00 0.00 177.57 177.14 2qov h ALA 34 N 1.38 -0.67 -0.14 1.67 0.00 0.73 0.53 119.26 122.75 2qov h ALA 34 Ca 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qov h ALA 34 Cb 0.29 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2qov h ALA 34 CO -0.24 -0.93 0.08 -0.92 0.00 0.00 0.00 179.25 177.23 2qov h TYR 35 N -0.63 0.18 0.03 0.00 5.03 0.07 0.06 116.97 121.72 2qov h TYR 35 Ca 0.02 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.34 2qov h TYR 35 Cb 0.64 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2qov h TYR 35 CO -0.30 0.12 -0.06 0.00 -1.32 0.00 0.00 178.16 176.60 2qov h ALA 36 N 1.90 -0.09 -3.00 1.82 0.00 0.47 -3.37 119.26 116.99 2qov h ALA 36 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qov h ALA 36 Cb -0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qov h ALA 36 CO -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 178.68 2qov n ALA 37 N -2.22 0.00 0.00 0.00 0.00 0.16 -3.97 120.51 114.48 2qov n ALA 37 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qov n ALA 37 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2qov n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qov n GLY 38 N 3.91 0.83 0.00 0.00 0.00 -1.25 -4.12 105.19 104.56 2qov n GLY 38 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2qov n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qov n ALA 39 N 0.00 1.48 -2.14 4.61 0.00 -1.25 -4.63 120.51 118.57 2qov n ALA 39 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2qov n ALA 39 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 2qov n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qov s ARG 40 N -3.00 4.23 -0.17 0.00 1.81 -1.26 -4.99 118.95 115.57 2qov s ARG 40 Ca 0.05 2.05 -0.16 0.00 -1.72 0.00 0.00 55.73 55.96 2qov s ARG 40 Cb 0.07 -3.74 -0.04 0.00 -0.45 0.00 0.00 34.95 30.78 2qov s ARG 40 CO 0.19 -0.71 0.38 -1.14 -0.68 0.00 0.00 175.30 173.34 2qov s GLN 41 N 3.14 4.23 0.00 3.54 0.74 -1.26 -4.77 119.66 125.28 2qov s GLN 41 Ca 0.67 0.21 0.00 0.00 0.05 0.00 0.00 55.36 56.29 2qov s GLN 41 Cb -0.32 -3.48 0.00 0.00 1.10 0.00 0.00 33.01 30.31 2qov s GLN 41 CO 0.27 0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.50 2qov n GLY 42 N 3.64 -2.64 2.91 2.59 0.00 -1.26 -4.96 105.19 105.47 2qov n GLY 42 Ca -0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2qov n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qov n THR 43 N 0.00 -9.53 -4.96 2.61 -2.24 -1.26 -4.89 114.28 94.01 2qov n THR 43 Ca 0.00 1.17 -0.27 0.00 -2.27 0.00 0.00 64.05 62.68 2qov n THR 43 Cb 0.00 -6.17 -0.16 0.00 -2.10 0.00 0.00 70.33 61.91 2qov n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qov s ARG 44 N -1.96 1.74 0.00 -0.78 1.81 -1.26 -4.95 118.95 113.55 2qov s ARG 44 Ca 0.12 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 2qov s ARG 44 Cb -0.03 -1.61 0.00 0.00 -0.45 0.00 0.00 34.95 32.86 2qov s ARG 44 CO 0.68 0.38 0.00 0.00 -0.68 0.00 0.00 175.30 175.68 2qov n ALA 45 N 2.77 0.00 -0.79 2.13 0.00 -1.26 -4.26 120.51 119.09 2qov n ALA 45 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qov n ALA 45 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2qov n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qov n GLN 46 N 0.00 -2.15 -3.59 0.00 1.13 -1.26 -4.57 117.38 106.94 2qov n GLN 46 Ca 0.00 1.65 -0.11 0.00 -1.94 0.00 0.00 57.00 56.60 2qov n GLN 46 Cb 0.00 -1.98 -0.11 0.00 0.11 0.00 0.00 30.24 28.26 2qov n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qov s LYS 47 N -4.75 0.26 1.14 -1.09 1.02 -1.26 -4.85 119.74 110.21 2qov s LYS 47 Ca 0.00 0.79 -0.14 0.00 0.02 0.00 0.00 55.97 56.64 2qov s LYS 47 Cb 0.00 -0.05 0.26 0.00 -0.52 0.00 0.00 37.83 37.53 2qov s LYS 47 CO 0.00 -0.36 1.05 0.95 -0.92 0.00 0.00 175.35 176.06 2qov s THR 48 N 2.52 1.92 -2.00 2.17 -4.23 -1.26 -4.28 115.64 110.48 2qov s THR 48 Ca 0.03 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2qov s THR 48 Cb -0.13 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.50 2qov s THR 48 CO -0.12 0.00 0.40 -2.11 -0.54 0.00 0.00 174.62 172.25 2qov n ARG 49 N -4.72 0.07 -0.02 3.99 1.85 -1.23 -0.53 116.66 116.06 2qov n ARG 49 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.88 2qov n ARG 49 Cb 0.56 -1.30 -0.04 0.00 -1.05 0.00 0.00 32.46 30.63 2qov n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qov n ALA 50 N -0.80 1.91 0.23 2.89 0.00 -1.26 -4.58 120.51 118.89 2qov n ALA 50 Ca 0.01 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.25 2qov n ALA 50 Cb 0.00 0.11 0.30 0.00 0.00 0.00 0.00 19.45 19.86 2qov n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qov h GLU 51 N 0.00 0.00 0.00 0.00 5.08 -1.10 -3.45 114.58 115.11 2qov h GLU 51 Ca -0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2qov h GLU 51 Cb 1.21 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.52 2qov h GLU 51 CO 0.01 0.07 -0.04 0.28 -1.00 0.00 0.00 179.01 178.32 2qov n VAL 52 N -3.13 0.00 -3.72 3.13 0.31 -0.95 -4.90 118.33 109.07 2qov n VAL 52 Ca 0.03 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 2qov n VAL 52 Cb 0.49 -0.27 -0.14 0.00 -0.91 0.00 0.00 33.84 33.00 2qov n VAL 52 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qov s THR 53 N -1.29 0.97 0.00 2.52 -4.23 -1.26 -5.05 115.64 107.30 2qov s THR 53 Ca 0.17 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2qov s THR 53 Cb -0.03 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2qov s THR 53 CO 0.14 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 2qov n GLY 54 N 4.53 3.97 3.63 3.99 0.00 -1.26 -5.09 105.19 114.96 2qov n GLY 54 Ca 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2qov n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qov s SER 55 N 1.09 -0.28 0.31 1.61 0.15 -1.26 -5.03 113.70 110.29 2qov s SER 55 Ca 0.00 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.20 2qov s SER 55 Cb 0.00 0.46 0.80 0.00 -1.71 0.00 0.00 66.02 65.57 2qov s SER 55 CO 0.00 -0.14 1.74 1.23 1.20 0.00 0.00 173.24 177.27 2qov h GLY 56 N 3.35 1.80 -3.03 9.45 0.00 -2.02 -3.42 103.07 109.19 2qov h GLY 56 Ca -0.24 -0.30 -0.58 0.00 0.00 0.00 0.00 47.33 46.21 2qov h GLY 56 CO 0.18 -0.18 -0.43 1.17 0.00 0.00 0.00 176.54 177.28 2qov n LYS 57 N -4.87 0.45 -3.69 4.80 4.81 -1.26 -4.93 118.16 113.47 2qov n LYS 57 Ca 0.25 0.18 -0.16 0.00 -0.87 0.00 0.00 58.31 57.70 2qov n LYS 57 Cb 0.66 -1.71 -0.16 0.00 0.02 0.00 0.00 35.03 33.85 2qov n LYS 57 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qov s LYS 58 N -2.21 0.03 -0.57 1.64 3.01 -1.26 -4.60 119.74 115.77 2qov s LYS 58 Ca 0.67 0.49 -0.26 0.00 -1.01 0.00 0.00 55.97 55.86 2qov s LYS 58 Cb -0.42 -0.28 -0.09 0.00 -1.01 0.00 0.00 37.83 36.03 2qov s LYS 58 CO 0.56 -0.28 2.44 -2.30 0.51 0.00 0.00 175.35 176.28 2qov n PRO 59 N 5.04 0.89 0.00 -1.68 -0.02 -1.26 -4.70 135.00 133.27 2qov n PRO 59 Ca -0.10 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2qov n PRO 59 Cb 0.50 -3.28 0.00 0.00 -0.02 0.00 0.00 33.50 30.70 2qov n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2qov n TRP 60 N 15.66 0.00 0.00 6.00 7.02 -1.26 -4.73 117.44 140.13 2qov n TRP 60 Ca 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.89 2qov n TRP 60 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 2qov n TRP 60 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2qov n ARG 61 N 0.00 0.00 0.00 -0.99 5.12 -1.26 -4.87 116.66 114.66 2qov n ARG 61 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qov n ARG 61 Cb 0.00 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 2qov n ARG 61 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2qov n GLN 62 N -2.00 0.00 -1.54 5.56 7.27 -1.26 -4.03 117.38 121.38 2qov n GLN 62 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 2qov n GLN 62 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 2qov n GLN 62 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2qov n LYS 63 N 14.00 0.42 0.00 3.69 4.76 -1.26 -3.80 118.16 135.97 2qov n LYS 63 Ca 0.00 -0.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 2qov n LYS 63 Cb 0.00 -2.90 0.00 0.00 -1.84 0.00 0.00 35.03 30.29 2qov n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qov n GLY 64 N 6.40 -2.04 3.71 0.72 0.00 -1.26 -5.15 105.19 107.58 2qov n GLY 64 Ca 0.53 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.99 2qov n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qov s THR 65 N 0.00 2.53 0.22 2.61 -1.32 -1.25 -4.92 115.64 113.52 2qov s THR 65 Ca 0.00 0.18 -0.07 0.00 -1.21 0.00 0.00 61.69 60.59 2qov s THR 65 Cb 0.00 -2.42 0.18 0.00 -1.51 0.00 0.00 72.50 68.75 2qov s THR 65 CO 0.00 -0.22 1.73 1.23 -2.21 0.00 0.00 174.62 175.16 2qov h GLY 66 N -1.44 0.96 -5.19 6.08 0.00 -1.99 -3.44 103.07 98.05 2qov h GLY 66 Ca -0.44 -0.12 -0.68 0.00 0.00 0.00 0.00 47.33 46.10 2qov h GLY 66 CO 0.46 -0.06 0.12 -2.13 0.00 0.00 0.00 176.54 174.93 2qov n ARG 67 N -5.01 0.00 -3.13 4.80 0.63 -1.26 -4.87 116.66 107.81 2qov n ARG 67 Ca 0.11 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 2qov n ARG 67 Cb 0.33 -1.27 -0.07 0.00 0.45 0.00 0.00 32.46 31.90 2qov n ARG 67 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qov s ALA 68 N 0.32 3.36 0.34 5.13 0.00 -1.26 -4.94 121.76 124.70 2qov s ALA 68 Ca 0.79 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2qov s ALA 68 Cb -1.10 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2qov s ALA 68 CO 0.51 -1.75 0.00 0.54 0.00 0.00 0.00 175.76 175.06 2qov n ARG 69 N 6.19 -2.62 0.00 0.00 5.12 -1.26 -5.01 116.66 119.07 2qov n ARG 69 Ca -0.02 1.81 0.00 0.00 -1.93 0.00 0.00 57.85 57.70 2qov n ARG 69 Cb 0.48 -3.20 0.00 0.00 -1.16 0.00 0.00 32.46 28.58 2qov n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2qov n SER 70 N -4.32 0.00 0.11 0.55 3.41 -1.26 -5.02 113.62 107.09 2qov n SER 70 Ca -0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 2qov n SER 70 Cb 0.65 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 65.04 2qov n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qov n GLY 71 N 0.00 -0.93 3.61 5.00 0.00 -1.26 -4.49 105.19 107.11 2qov n GLY 71 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2qov n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qov s SER 72 N -3.81 -0.08 0.00 1.61 0.15 -1.26 -4.82 113.70 105.48 2qov s SER 72 Ca 0.01 -0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.85 2qov s SER 72 Cb 0.06 0.13 0.65 0.00 -1.71 0.00 0.00 66.02 65.16 2qov s SER 72 CO 0.22 -0.24 1.52 0.00 1.20 0.00 0.00 173.24 175.94 2qov n ILE 73 N -0.32 0.00 0.85 6.45 3.06 -1.26 -3.58 119.36 124.56 2qov n ILE 73 Ca -0.05 -0.33 0.10 0.00 -2.50 0.00 0.00 62.75 59.97 2qov n ILE 73 Cb 0.61 0.90 0.02 0.00 0.54 0.00 0.00 39.64 41.71 2qov n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2qov n LYS 74 N 0.53 1.57 -1.64 9.51 5.02 -1.26 -4.84 118.16 127.05 2qov n LYS 74 Ca 0.16 -1.14 -0.54 0.00 -2.02 0.00 0.00 58.31 54.77 2qov n LYS 74 Cb 0.45 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 34.02 2qov n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qov n SER 75 N 0.28 1.89 -0.14 4.39 2.88 -1.23 -4.29 113.62 117.40 2qov n SER 75 Ca 0.09 1.10 -0.08 0.00 -1.33 0.00 0.00 58.87 58.65 2qov n SER 75 Cb 0.43 -1.16 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 2qov n SER 75 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2qov h PRO 76 N 5.55 -0.25 -0.60 -1.46 0.11 -1.88 0.22 132.00 133.70 2qov h PRO 76 Ca -0.47 0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.83 2qov h PRO 76 Cb 1.33 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 2qov h PRO 76 CO 0.85 -0.17 0.51 -0.84 -0.21 0.00 0.00 178.00 178.14 2qov h ILE 77 N -0.26 0.49 -3.02 4.15 3.07 -1.91 -3.43 117.51 116.61 2qov h ILE 77 Ca 0.17 0.00 -0.40 0.00 1.55 0.00 0.00 64.86 66.18 2qov h ILE 77 Cb 0.56 0.62 0.22 0.00 -0.27 0.00 0.00 36.82 37.95 2qov h ILE 77 CO -0.58 0.00 -0.11 0.79 -1.05 0.00 0.00 178.15 177.20 2qov n TRP 78 N -4.00 -2.44 0.00 0.16 5.03 0.76 -5.03 117.44 111.92 2qov n TRP 78 Ca 0.12 -0.45 0.00 0.00 3.03 0.00 0.00 57.50 60.19 2qov n TRP 78 Cb 0.74 -1.53 0.00 0.00 -1.03 0.00 0.00 31.31 29.49 2qov n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qov n ARG 79 N -5.33 0.00 -1.88 -0.99 0.63 -1.26 -4.87 116.66 102.96 2qov n ARG 79 Ca 0.07 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.60 2qov n ARG 79 Cb 0.57 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.49 2qov n ARG 79 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2qov s SER 80 N -1.56 5.92 0.23 6.15 1.04 -1.26 -4.67 113.70 119.56 2qov s SER 80 Ca 0.00 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.23 2qov s SER 80 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2qov s SER 80 CO 0.00 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2qov n GLY 81 N 0.62 -4.74 0.00 7.32 0.00 -1.26 -4.80 105.19 102.33 2qov n GLY 81 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qov n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qov n GLY 82 N 0.70 -1.61 2.69 -0.02 0.00 -1.26 -4.57 105.19 101.13 2qov n GLY 82 Ca 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 46.02 46.74 2qov n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qov n VAL 83 N 0.00-11.12 0.00 1.61 0.31 -1.26 -3.58 118.33 104.29 2qov n VAL 83 Ca 0.00 2.30 0.00 0.00 -0.01 0.00 0.00 64.34 66.63 2qov n VAL 83 Cb 0.00 -6.02 0.00 0.00 -0.91 0.00 0.00 33.84 26.91 2qov n VAL 83 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2qov n THR 84 N 1.70 0.00 -3.49 2.52 -1.04 -1.26 -3.84 114.28 108.88 2qov n THR 84 Ca -0.32 1.23 -0.42 0.00 -2.04 0.00 0.00 64.05 62.51 2qov n THR 84 Cb 0.50 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 67.06 2qov n THR 84 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2qov s PHE 85 N -1.92 3.86 -0.85 -1.42 0.08 -1.26 -4.76 117.98 111.71 2qov s PHE 85 Ca 0.00 -2.59 -0.21 0.00 0.12 0.00 0.00 56.93 54.26 2qov s PHE 85 Cb 0.00 -3.56 -0.20 0.00 -0.57 0.00 0.00 43.02 38.69 2qov s PHE 85 CO 0.00 -0.89 2.32 0.00 -0.10 0.00 0.00 175.22 176.56 2qov n ALA 86 N 3.12 0.57 -1.64 5.36 0.00 -1.25 -4.85 120.51 121.82 2qov n ALA 86 Ca 0.17 -1.24 -0.48 0.00 0.00 0.00 0.00 53.44 51.90 2qov n ALA 86 Cb 0.41 -3.00 -0.04 0.00 0.00 0.00 0.00 19.45 16.81 2qov n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qov n ALA 87 N 14.72 0.45 -2.53 0.00 0.00 -1.26 -4.77 120.51 127.11 2qov n ALA 87 Ca 0.53 0.46 -0.25 0.00 0.00 0.00 0.00 53.44 54.19 2qov n ALA 87 Cb 0.34 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 2qov n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qov s ARG 88 N 0.42 2.11 -0.42 0.00 0.52 -1.26 -4.26 118.95 116.05 2qov s ARG 88 Ca 0.78 -1.74 -0.43 0.00 -0.52 0.00 0.00 55.73 53.82 2qov s ARG 88 Cb -0.77 -1.95 -0.17 0.00 0.52 0.00 0.00 34.95 32.58 2qov s ARG 88 CO 0.44 0.11 1.89 -2.30 0.02 0.00 0.00 175.30 175.46 2qov n PRO 89 N -0.99 0.44 -3.14 3.54 -0.02 -1.26 -4.75 135.00 128.82 2qov n PRO 89 Ca -0.04 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.40 2qov n PRO 89 Cb 0.62 -1.79 0.01 0.00 -0.02 0.00 0.00 33.50 32.32 2qov n PRO 89 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qov n GLN 90 N 6.04 0.83 -3.66 -0.52 6.02 -1.26 -4.92 117.38 119.91 2qov n GLN 90 Ca 0.39 -2.60 -0.20 0.00 -0.01 0.00 0.00 57.00 54.58 2qov n GLN 90 Cb 0.03 0.19 -0.17 0.00 1.02 0.00 0.00 30.24 31.31 2qov n GLN 90 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qov s ASP 91 N -3.54 1.17 0.00 1.08 2.15 -1.26 -4.34 116.67 111.92 2qov s ASP 91 Ca 0.29 0.07 0.24 0.00 0.43 0.00 0.00 52.55 53.58 2qov s ASP 91 Cb -0.02 -0.02 0.34 0.00 -0.30 0.00 0.00 42.92 42.92 2qov s ASP 91 CO 0.18 -0.26 1.32 1.41 -0.17 0.00 0.00 175.17 177.65 2qov n HIS 92 N 5.31 0.00 -1.52 -5.34 8.25 -1.26 -4.92 115.22 115.73 2qov n HIS 92 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 2qov n HIS 92 Cb 0.50 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 2qov n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2qov n SER 93 N 0.38 1.94 -4.61 0.41 7.64 -1.26 -4.18 113.62 113.94 2qov n SER 93 Ca 0.13 -0.08 -0.28 0.00 1.01 0.00 0.00 58.87 59.65 2qov n SER 93 Cb 0.48 -1.37 0.12 0.00 -1.01 0.00 0.00 64.21 62.43 2qov n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2qov s GLN 94 N 7.77 1.52 -0.06 1.43 -0.21 -1.26 -4.99 119.66 123.85 2qov s GLN 94 Ca 1.09 -0.34 -0.04 0.00 0.02 0.00 0.00 55.36 56.09 2qov s GLN 94 Cb -0.58 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.39 2qov s GLN 94 CO 0.37 -1.76 -0.07 -0.22 -2.12 0.00 0.00 175.29 171.49 2qov h LYS 95 N -1.06 0.00 -5.94 2.91 3.64 -1.99 -3.50 116.57 110.62 2qov h LYS 95 Ca -0.44 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.76 2qov h LYS 95 Cb 1.28 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2qov h LYS 95 CO 0.51 0.00 -0.90 0.28 -2.27 0.00 0.00 179.45 177.07 2qov n VAL 96 N -3.35 -7.20 -0.88 2.00 0.31 -1.26 -4.88 118.33 103.06 2qov n VAL 96 Ca -0.03 0.56 -0.35 0.00 -0.01 0.00 0.00 64.34 64.51 2qov n VAL 96 Cb 0.10 -5.24 0.09 0.00 -0.91 0.00 0.00 33.84 27.88 2qov n VAL 96 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2qov n ASN 97 N -0.06 -3.70 0.08 4.52 6.94 -1.26 -4.72 115.26 117.07 2qov n ASN 97 Ca 0.01 0.14 -0.13 0.00 -0.02 0.00 0.00 54.58 54.58 2qov n ASN 97 Cb 0.54 -0.89 -0.08 0.00 -2.36 0.00 0.00 39.78 36.99 2qov n ASN 97 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qov h LYS 98 N -1.35 -0.19 -1.05 -3.83 3.64 -1.98 -2.82 116.57 109.00 2qov h LYS 98 Ca -0.45 0.01 0.39 0.00 -1.27 0.00 0.00 60.65 59.33 2qov h LYS 98 Cb 1.32 0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 2qov h LYS 98 CO 0.29 0.09 0.60 0.87 -2.27 0.00 0.00 179.45 179.02 2qov h LYS 99 N -0.46 0.13 0.07 1.90 1.57 -1.99 0.92 116.57 118.71 2qov h LYS 99 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2qov h LYS 99 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qov h LYS 99 CO 0.03 0.09 -0.03 0.52 -0.57 0.00 0.00 179.45 179.49 2qov h MET 100 N 0.13 -0.09 -1.44 3.15 2.86 -1.92 -3.18 114.93 114.45 2qov h MET 100 Ca 0.80 0.01 0.43 0.00 -2.06 0.00 0.00 59.70 58.88 2qov h MET 100 Cb 2.08 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 33.67 2qov h MET 100 CO -0.66 -0.06 0.99 -0.92 1.06 0.00 0.00 176.91 177.33 2qov h TYR 101 N -0.92 0.24 0.00 -0.22 3.20 -0.97 0.24 116.97 118.54 2qov h TYR 101 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qov h TYR 101 Cb 0.07 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2qov h TYR 101 CO 0.00 -0.06 0.00 0.54 -1.64 0.00 0.00 178.16 177.00 2qov n ARG 102 N -4.33 0.00 0.18 1.82 5.12 0.31 -2.49 116.66 117.27 2qov n ARG 102 Ca 0.35 0.36 0.19 0.00 -1.93 0.00 0.00 57.85 56.81 2qov n ARG 102 Cb 1.48 -1.31 0.78 0.00 -1.16 0.00 0.00 32.46 32.25 2qov n ARG 102 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2qov h GLY 103 N 0.00 0.00 0.61 -0.13 0.00 -1.27 -1.24 103.07 101.03 2qov h GLY 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qov h GLY 103 CO 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.19 2qov h ALA 104 N 1.48 -0.73 -0.03 3.60 0.00 -0.37 0.15 119.26 123.36 2qov h ALA 104 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qov h ALA 104 Cb 0.89 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qov h ALA 104 CO -0.00 -0.95 0.00 1.28 0.00 0.00 0.00 179.25 179.58 2qov n LEU 105 N -5.45 0.43 0.00 0.00 4.77 -0.56 -0.42 117.00 115.77 2qov n LEU 105 Ca -0.09 -0.17 0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2qov n LEU 105 Cb 0.36 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2qov n LEU 105 CO 0.28 0.08 0.08 1.17 -1.33 0.00 0.00 177.39 177.66 2qov n LYS 106 N -0.56 0.05 -0.01 3.23 4.81 -0.15 -3.52 118.16 122.00 2qov n LYS 106 Ca 0.17 -0.01 -0.03 0.00 -0.87 0.00 0.00 58.31 57.58 2qov n LYS 106 Cb 0.15 -1.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.68 2qov n LYS 106 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2qov n SER 107 N -1.57 0.39 0.17 3.14 3.41 0.33 -3.57 113.62 115.92 2qov n SER 107 Ca 0.04 0.03 0.19 0.00 -0.26 0.00 0.00 58.87 58.87 2qov n SER 107 Cb 0.35 -0.08 0.79 0.00 -0.26 0.00 0.00 64.21 65.01 2qov n SER 107 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2qov h ILE 108 N -0.09 0.32 0.08 -1.33 -0.00 -0.95 1.09 117.51 116.62 2qov h ILE 108 Ca -0.07 0.00 -0.36 0.00 -0.00 0.00 0.00 64.86 64.43 2qov h ILE 108 Cb 1.06 0.71 -0.03 0.00 -0.00 0.00 0.00 36.82 38.56 2qov h ILE 108 CO -0.04 0.00 -2.06 -0.11 -0.00 0.00 0.00 178.15 175.94 2qov n LEU 109 N -3.56 2.62 0.05 2.19 7.94 -1.23 -2.75 117.00 122.26 2qov n LEU 109 Ca 0.04 0.16 -0.11 0.00 -1.11 0.00 0.00 56.01 54.98 2qov n LEU 109 Cb 0.49 -1.05 -0.05 0.00 0.53 0.00 0.00 43.42 43.33 2qov n LEU 109 CO 0.24 0.81 0.80 -1.28 -1.11 0.00 0.00 177.39 176.86 2qov h SER 110 N -0.08 -0.26 -0.01 1.96 0.87 -0.71 -0.36 113.55 114.95 2qov h SER 110 Ca -0.46 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.10 2qov h SER 110 Cb 1.92 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2qov h SER 110 CO 0.00 -0.13 -0.08 -0.08 -0.53 0.00 0.00 176.83 176.00 2qov h GLU 111 N -0.16 0.22 -0.16 2.24 4.22 0.87 -0.71 114.58 121.10 2qov h GLU 111 Ca 0.03 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.48 2qov h GLU 111 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2qov h GLU 111 CO -0.09 0.32 0.23 -0.07 -2.18 0.00 0.00 179.01 177.23 2qov h LEU 112 N 0.21 0.00 0.00 1.64 3.38 -0.88 0.30 115.31 119.96 2qov h LEU 112 Ca 0.05 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 2qov h LEU 112 Cb 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2qov h LEU 112 CO 0.01 0.00 -1.90 0.52 0.09 0.00 0.00 178.44 177.17 2qov n VAL 113 N -3.56 1.53 0.68 1.22 0.31 -0.32 -1.55 118.33 116.65 2qov n VAL 113 Ca 0.01 -0.81 0.01 0.00 -0.01 0.00 0.00 64.34 63.54 2qov n VAL 113 Cb 0.34 -0.86 0.04 0.00 -0.91 0.00 0.00 33.84 32.45 2qov n VAL 113 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qov n ARG 114 N -2.95 0.34 -0.19 5.55 5.12 0.10 -0.97 116.66 123.66 2qov n ARG 114 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 2qov n ARG 114 Cb 1.08 -1.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.31 2qov n ARG 114 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2qov n GLN 115 N -0.57 0.00 0.00 5.56 6.02 -1.12 -4.99 117.38 122.27 2qov n GLN 115 Ca 0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 2qov n GLN 115 Cb 0.01 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 30.85 2qov n GLN 115 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2qov n ASP 116 N 0.00 0.00 -0.51 1.08 2.03 -0.15 -4.76 116.55 114.25 2qov n ASP 116 Ca 0.00 0.00 0.41 0.00 0.52 0.00 0.00 54.79 55.72 2qov n ASP 116 Cb 0.56 -0.83 0.71 0.00 -0.72 0.00 0.00 41.12 40.84 2qov n ASP 116 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2qov h ARG 117 N 0.48 0.05 -5.44 -0.67 3.08 -1.73 -3.31 114.38 106.85 2qov h ARG 117 Ca 0.00 -0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.42 2qov h ARG 117 Cb 0.00 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 29.91 2qov h ARG 117 CO 0.00 0.03 0.10 -1.17 -1.07 0.00 0.00 179.97 177.86 2qov s LEU 118 N -8.94 4.17 -0.36 3.04 0.20 -0.60 -0.95 118.68 115.24 2qov s LEU 118 Ca -0.07 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.12 2qov s LEU 118 Cb 0.28 -2.76 0.11 0.00 -0.43 0.00 0.00 46.19 43.39 2qov s LEU 118 CO 0.84 -0.46 0.11 -0.63 -0.29 0.00 0.00 176.35 175.91 2qov s ILE 119 N 2.55 1.83 0.20 6.68 -1.09 0.08 -4.87 121.20 126.58 2qov s ILE 119 Ca 0.24 -2.22 -0.29 0.00 -2.23 0.00 0.00 60.65 56.15 2qov s ILE 119 Cb -0.15 -2.34 -0.08 0.00 -1.58 0.00 0.00 42.46 38.30 2qov s ILE 119 CO 0.12 -0.67 0.90 0.54 -1.23 0.00 0.00 174.94 174.60 2qov s VAL 120 N 0.91 4.22 0.12 2.92 0.11 -1.18 -4.09 120.40 123.40 2qov s VAL 120 Ca 0.12 1.99 0.05 0.00 -2.93 0.00 0.00 61.98 61.21 2qov s VAL 120 Cb -0.20 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.33 2qov s VAL 120 CO -0.11 0.47 -0.13 0.68 -3.33 0.00 0.00 175.10 172.68 2qov s VAL 121 N -0.96 1.25 -0.99 2.04 -7.23 -1.23 -3.85 120.40 109.43 2qov s VAL 121 Ca 0.41 -1.74 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 2qov s VAL 121 Cb -0.25 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2qov s VAL 121 CO 0.30 -0.47 1.80 -1.83 -0.31 0.00 0.00 175.10 174.59 2qov s GLU 122 N -2.80 2.90 0.18 4.82 4.04 -1.25 -3.17 118.70 123.42 2qov s GLU 122 Ca 0.09 -0.70 0.00 0.00 0.04 0.00 0.00 54.97 54.40 2qov s GLU 122 Cb -0.04 -5.19 0.00 0.00 0.02 0.00 0.00 34.13 28.92 2qov s GLU 122 CO 0.02 -3.08 0.00 1.63 -1.84 0.00 0.00 175.26 171.99 2qov n LYS 123 N 8.77 -4.33 -4.69 -4.83 4.01 -1.26 -4.99 118.16 110.84 2qov n LYS 123 Ca 0.39 3.17 -0.24 0.00 -0.51 0.00 0.00 58.31 61.13 2qov n LYS 123 Cb 0.48 -3.31 -0.16 0.00 -0.51 0.00 0.00 35.03 31.53 2qov n LYS 123 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2qov s PHE 124 N -0.56 1.41 0.08 2.13 2.19 -1.26 -5.04 117.98 116.92 2qov s PHE 124 Ca 0.00 -0.34 -0.10 0.00 0.33 0.00 0.00 56.93 56.82 2qov s PHE 124 Cb 0.00 -0.94 0.03 0.00 -1.31 0.00 0.00 43.02 40.80 2qov s PHE 124 CO 0.00 -0.10 0.47 0.45 1.83 0.00 0.00 175.22 177.88 2qov n SER 125 N 3.01 -0.77 -0.56 6.13 2.88 -1.26 -5.01 113.62 118.05 2qov n SER 125 Ca -0.17 -1.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 2qov n SER 125 Cb 0.54 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 2qov n SER 125 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2qov n VAL 126 N -0.33 0.00 0.03 2.46 3.14 -1.26 -5.05 118.33 117.31 2qov n VAL 126 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2qov n VAL 126 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 2qov n VAL 126 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2qov n GLU 127 N 0.00 0.00 -4.85 1.45 0.00 -1.26 -4.99 120.64 110.99 2qov n GLU 127 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2qov n GLU 127 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 2qov n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qov s ALA 128 N -2.00 2.34 -0.15 -1.84 0.00 -1.26 -5.01 121.76 113.84 2qov s ALA 128 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 2qov s ALA 128 Cb 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2qov s ALA 128 CO 0.00 0.54 1.15 -2.30 0.00 0.00 0.00 175.76 175.16 2qov n PRO 129 N 1.73 0.38 -3.84 0.00 -0.02 -1.26 -4.73 135.00 127.27 2qov n PRO 129 Ca -0.17 -0.59 -0.28 0.00 -2.02 0.00 0.00 63.50 60.44 2qov n PRO 129 Cb 0.52 -1.99 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 2qov n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qov s LYS 130 N 4.34 1.15 0.35 -0.52 -0.14 -1.26 -4.86 119.74 118.79 2qov s LYS 130 Ca 0.08 -0.59 0.10 0.00 -1.36 0.00 0.00 55.97 54.20 2qov s LYS 130 Cb 0.02 -2.17 0.85 0.00 -1.68 0.00 0.00 37.83 34.85 2qov s LYS 130 CO -0.01 -0.55 1.83 1.79 -0.76 0.00 0.00 175.35 177.65 2qov h THR 131 N 6.51 0.76 -0.94 2.17 1.35 -1.84 0.34 112.91 121.26 2qov h THR 131 Ca -0.19 -0.23 0.24 0.00 -0.55 0.00 0.00 66.41 65.68 2qov h THR 131 Cb 1.10 0.04 -0.17 0.00 -1.73 0.00 0.00 68.15 67.39 2qov h THR 131 CO 0.37 0.12 0.00 0.50 -0.25 0.00 0.00 175.52 176.26 2qov h LYS 132 N 0.66 0.04 0.00 4.72 3.11 -1.95 1.19 116.57 124.34 2qov h LYS 132 Ca 0.50 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.34 2qov h LYS 132 Cb 0.89 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 2qov h LYS 132 CO -0.26 0.02 0.00 1.28 -2.81 0.00 0.00 179.45 177.69 2qov n LEU 133 N -5.46 0.00 0.00 5.20 4.77 0.11 -1.20 117.00 120.41 2qov n LEU 133 Ca 0.20 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 2qov n LEU 133 Cb 0.67 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2qov n LEU 133 CO -0.04 -0.25 0.46 -0.11 -1.33 0.00 0.00 177.39 176.11 2qov n LEU 134 N -1.44 0.00 0.05 2.23 7.94 -0.70 0.99 117.00 126.07 2qov n LEU 134 Ca 0.00 0.34 -0.03 0.00 -1.11 0.00 0.00 56.01 55.21 2qov n LEU 134 Cb 0.00 -0.34 -0.01 0.00 0.53 0.00 0.00 43.42 43.60 2qov n LEU 134 CO 0.00 -0.34 0.11 0.00 -1.11 0.00 0.00 177.39 176.06 2qov h ALA 135 N 1.55 -0.27 0.00 1.96 0.00 0.25 -3.13 119.26 119.62 2qov h ALA 135 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2qov h ALA 135 Cb 0.19 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qov h ALA 135 CO 0.00 -0.26 -0.54 -0.56 0.00 0.00 0.00 179.25 177.89 2qov h GLN 136 N -0.71 0.00 -1.03 0.00 -0.00 -0.09 -2.77 115.11 110.52 2qov h GLN 136 Ca -0.02 0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.88 2qov h GLN 136 Cb 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.52 2qov h GLN 136 CO 0.03 0.54 0.64 -0.22 -0.00 0.00 0.00 178.83 179.82 2qov h LYS 137 N 0.00 0.48 -0.03 0.06 1.63 0.52 0.15 116.57 119.37 2qov h LYS 137 Ca -0.01 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2qov h LYS 137 Cb 1.05 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2qov h LYS 137 CO 0.07 0.31 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.30 2qov h LEU 138 N 0.49 0.07 -1.89 5.20 3.38 -1.43 -2.88 115.31 118.24 2qov h LEU 138 Ca 0.62 -0.39 0.23 0.00 0.09 0.00 0.00 57.88 58.43 2qov h LEU 138 Cb 1.36 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 2qov h LEU 138 CO -0.38 0.44 0.60 0.07 0.09 0.00 0.00 178.44 179.26 2qov h LYS 139 N -0.31 0.08 -0.10 1.13 2.10 -0.79 1.40 116.57 120.09 2qov h LYS 139 Ca 0.01 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 2qov h LYS 139 Cb 0.41 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 2qov h LYS 139 CO 0.00 0.06 -0.48 -0.44 -2.00 0.00 0.00 179.45 176.59 2qov h ASP 140 N 0.09 0.27 -0.50 7.07 3.45 -1.09 -2.87 116.42 122.83 2qov h ASP 140 Ca 0.41 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.75 2qov h ASP 140 Cb 1.50 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.20 2qov h ASP 140 CO -0.04 0.71 0.00 0.23 -1.57 0.00 0.00 179.24 178.57 2qov n MET 141 N -3.97 2.90 -4.09 3.56 2.81 0.29 -4.97 117.12 113.65 2qov n MET 141 Ca -0.02 -2.37 -0.29 0.00 -1.81 0.00 0.00 57.70 53.21 2qov n MET 141 Cb 0.53 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 2qov n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qov n ALA 142 N 0.92 -2.08 -2.73 3.04 0.00 0.41 -4.94 120.51 115.12 2qov n ALA 142 Ca 0.18 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 2qov n ALA 142 Cb 0.55 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 2qov n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qov s LEU 143 N -7.13 2.50 -0.09 0.00 1.43 -0.77 -4.99 118.68 109.63 2qov s LEU 143 Ca 0.06 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 2qov s LEU 143 Cb -0.03 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2qov s LEU 143 CO 0.94 0.26 0.26 -1.83 0.23 0.00 0.00 176.35 176.21 2qov s GLU 144 N -0.23 0.34 -0.97 1.70 -1.05 -1.26 -4.59 118.70 112.64 2qov s GLU 144 Ca 0.00 0.30 -0.06 0.00 -0.15 0.00 0.00 54.97 55.06 2qov s GLU 144 Cb -0.13 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 2qov s GLU 144 CO 0.03 -0.05 0.83 -0.25 0.95 0.00 0.00 175.26 176.77 2qov n ASP 145 N 2.77 -6.75 -4.48 0.83 8.00 -0.65 -4.44 116.55 111.84 2qov n ASP 145 Ca -0.14 -0.58 -0.25 0.00 0.71 0.00 0.00 54.79 54.54 2qov n ASP 145 Cb 0.58 -4.87 -0.10 0.00 -0.02 0.00 0.00 41.12 36.71 2qov n ASP 145 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qov s VAL 146 N -3.27 2.55 -0.09 2.53 1.01 0.11 -0.43 120.40 122.81 2qov s VAL 146 Ca 0.31 -2.24 -0.17 0.00 0.00 0.00 0.00 61.98 59.88 2qov s VAL 146 Cb -0.06 -2.31 -0.28 0.00 0.00 0.00 0.00 36.38 33.73 2qov s VAL 146 CO 0.77 -0.31 0.63 0.25 0.00 0.00 0.00 175.10 176.43 2qov h LEU 147 N 2.51 0.39 0.79 3.92 7.12 -1.53 -3.22 115.31 125.29 2qov h LEU 147 Ca -0.42 -0.87 -0.27 0.00 0.13 0.00 0.00 57.88 56.45 2qov h LEU 147 Cb 1.24 -0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 41.15 2qov h LEU 147 CO 0.57 1.56 -0.26 -0.38 -0.13 0.00 0.00 178.44 179.80 2qov n ILE 148 N -3.99 -0.09 -1.66 4.05 2.08 -1.26 -3.34 119.36 115.16 2qov n ILE 148 Ca -0.22 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 62.69 2qov n ILE 148 Cb 0.87 -1.52 0.03 0.00 -0.75 0.00 0.00 39.64 38.27 2qov n ILE 148 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qov n ILE 149 N -2.81 3.09 -4.45 1.39 3.06 -1.26 -4.34 119.36 114.03 2qov n ILE 149 Ca -0.13 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.38 2qov n ILE 149 Cb 0.46 -1.35 -0.07 0.00 0.54 0.00 0.00 39.64 39.21 2qov n ILE 149 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2qov n THR 150 N -0.88 0.00 1.12 9.51 -2.24 -0.56 -1.40 114.28 119.83 2qov n THR 150 Ca 0.10 -2.38 0.12 0.00 -2.27 0.00 0.00 64.05 59.63 2qov n THR 150 Cb 0.43 0.92 0.22 0.00 -2.10 0.00 0.00 70.33 69.80 2qov n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qov n GLY 151 N -0.76 -0.67 2.05 3.38 0.00 -1.26 -1.15 105.19 106.77 2qov n GLY 151 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qov n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qov n GLU 152 N -0.81 0.00 -1.39 1.61 4.07 -1.26 -4.75 120.64 118.11 2qov n GLU 152 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2qov n GLU 152 Cb 0.37 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 2qov n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2qov n LEU 153 N -3.06 -2.93 -4.20 4.31 7.94 -1.26 -4.85 117.00 112.94 2qov n LEU 153 Ca 0.00 2.61 -0.21 0.00 -1.11 0.00 0.00 56.01 57.30 2qov n LEU 153 Cb 0.00 -2.38 -0.13 0.00 0.53 0.00 0.00 43.42 41.44 2qov n LEU 153 CO 0.00 0.16 -0.48 1.51 -1.11 0.00 0.00 177.39 177.46 2qov s ASP 154 N -2.87 2.01 0.55 1.96 1.47 -1.26 -5.02 116.67 113.51 2qov s ASP 154 Ca 0.00 -0.56 0.30 0.00 1.18 0.00 0.00 52.55 53.47 2qov s ASP 154 Cb 0.00 -0.12 1.47 0.00 -0.34 0.00 0.00 42.92 43.93 2qov s ASP 154 CO 0.00 0.03 1.89 -0.33 0.68 0.00 0.00 175.17 177.45 2qov h GLU 155 N 4.56 0.00 -0.73 2.11 4.39 -1.96 0.34 114.58 123.29 2qov h GLU 155 Ca -0.41 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.25 2qov h GLU 155 Cb 1.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2qov h GLU 155 CO 0.42 0.00 0.33 -0.97 -1.16 0.00 0.00 179.01 177.62 2qov h ASN 156 N 0.00 0.97 0.77 1.42 -1.24 -1.97 0.95 115.58 116.48 2qov h ASN 156 Ca 0.36 -0.15 -0.24 0.00 0.71 0.00 0.00 56.30 56.98 2qov h ASN 156 Cb 1.53 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2qov h ASN 156 CO -0.00 0.85 -1.09 0.25 -1.29 0.00 0.00 177.43 176.15 2qov h LEU 157 N 1.03 0.23 -0.20 0.34 5.85 -0.85 -2.99 115.31 118.72 2qov h LEU 157 Ca 0.25 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2qov h LEU 157 Cb 0.16 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2qov h LEU 157 CO -0.03 1.16 0.07 0.15 -0.34 0.00 0.00 178.44 179.45 2qov h PHE 158 N 0.05 0.31 -0.56 1.25 -0.00 0.11 -1.48 116.94 116.62 2qov h PHE 158 Ca -0.07 -0.03 0.09 0.00 -0.00 0.00 0.00 57.97 57.96 2qov h PHE 158 Cb 1.82 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 37.65 2qov h PHE 158 CO 0.03 0.38 0.38 -0.07 -0.00 0.00 0.00 178.31 179.03 2qov h LEU 159 N 0.15 0.32 -9.82 0.59 4.07 0.87 -3.13 115.31 108.36 2qov h LEU 159 Ca 0.06 0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.54 2qov h LEU 159 Cb 0.21 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 2qov h LEU 159 CO -0.00 0.20 0.39 0.00 -1.08 0.00 0.00 178.44 177.95 2qov s ALA 160 N -5.35 3.30 0.00 1.53 0.00 -0.56 -2.62 121.76 118.06 2qov s ALA 160 Ca -0.07 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2qov s ALA 160 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2qov s ALA 160 CO 0.74 0.05 0.00 0.00 0.00 0.00 0.00 175.76 176.55 2qov n ALA 161 N 1.01 0.00 0.23 0.00 0.00 -1.26 -4.77 120.51 115.72 2qov n ALA 161 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2qov n ALA 161 Cb 0.47 -1.06 0.35 0.00 0.00 0.00 0.00 19.45 19.21 2qov n ALA 161 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qov h ARG 162 N 0.34 0.00 0.00 0.00 1.12 -1.44 -3.05 114.38 111.36 2qov h ARG 162 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.66 2qov h ARG 162 Cb 0.56 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.49 2qov h ARG 162 CO 0.00 0.09 -2.06 -1.71 -3.11 0.00 0.00 179.97 173.18 2qov n ASN 163 N -3.15 0.79 -4.66 -3.80 2.85 -1.26 -4.97 115.26 101.06 2qov n ASN 163 Ca 0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.20 2qov n ASN 163 Cb 0.47 1.23 0.17 0.00 1.24 0.00 0.00 39.78 42.90 2qov n ASN 163 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qov s LEU 164 N -4.93 1.97 -0.09 1.20 1.43 -1.15 -5.01 118.68 112.10 2qov s LEU 164 Ca -0.08 1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 54.54 2qov s LEU 164 Cb 0.07 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2qov s LEU 164 CO 0.72 -3.11 -0.14 1.57 0.23 0.00 0.00 176.35 175.63 2qov n HIS 165 N -4.20 0.00 0.15 0.29 -0.00 -1.26 -4.66 115.22 105.54 2qov n HIS 165 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2qov n HIS 165 Cb 0.55 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 2qov n HIS 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qov n LYS 166 N -3.55 0.19 -3.62 1.57 4.76 -1.26 -4.56 118.16 111.69 2qov n LYS 166 Ca -0.18 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.17 2qov n LYS 166 Cb 0.57 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.29 2qov n LYS 166 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qov s VAL 167 N 0.91 0.00 -0.37 -0.18 0.11 -1.24 0.08 120.40 119.72 2qov s VAL 167 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2qov s VAL 167 Cb 0.00 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 2qov s VAL 167 CO 0.00 0.00 0.44 -0.62 -3.33 0.00 0.00 175.10 171.59 2qov s ASP 168 N -0.18 0.39 -0.03 3.54 3.68 -1.21 -4.86 116.67 118.00 2qov s ASP 168 Ca 0.02 -1.26 -0.30 0.00 2.13 0.00 0.00 52.55 53.15 2qov s ASP 168 Cb -0.04 0.98 -0.08 0.00 -1.45 0.00 0.00 42.92 42.33 2qov s ASP 168 CO -0.05 -0.25 1.95 0.68 0.13 0.00 0.00 175.17 177.63 2qov s VAL 169 N 1.64 3.12 0.30 1.11 -7.23 -1.22 -4.59 120.40 113.53 2qov s VAL 169 Ca 0.16 0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.50 2qov s VAL 169 Cb -0.12 -3.10 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 2qov s VAL 169 CO -0.07 -0.02 0.07 -0.13 -0.31 0.00 0.00 175.10 174.64 2qov s ARG 170 N 4.72 1.55 0.37 4.82 0.52 -1.26 -4.94 118.95 124.72 2qov s ARG 170 Ca 0.88 -1.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.22 2qov s ARG 170 Cb -0.39 -0.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.43 2qov s ARG 170 CO 0.38 -0.23 0.62 0.34 0.02 0.00 0.00 175.30 176.43 2qov s ASP 171 N -3.41 6.31 0.06 0.23 2.15 -1.26 -1.49 116.67 119.25 2qov s ASP 171 Ca 0.37 0.63 -0.28 0.00 0.43 0.00 0.00 52.55 53.71 2qov s ASP 171 Cb 0.08 -2.11 -0.17 0.00 -0.30 0.00 0.00 42.92 40.42 2qov s ASP 171 CO 0.15 -0.36 1.53 0.00 -0.17 0.00 0.00 175.17 176.32 2qov h ALA 172 N 0.78 -0.52 -0.32 3.66 0.00 -1.43 -3.06 119.26 118.36 2qov h ALA 172 Ca -0.49 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.35 2qov h ALA 172 Cb 1.21 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 2qov h ALA 172 CO 0.62 -0.74 -0.13 1.79 0.00 0.00 0.00 179.25 180.80 2qov h THR 173 N -0.63 0.58 0.00 0.00 1.35 -1.94 -1.17 112.91 111.10 2qov h THR 173 Ca -0.05 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.72 2qov h THR 173 Cb 0.46 0.58 -0.03 0.00 -1.73 0.00 0.00 68.15 67.43 2qov h THR 173 CO 0.09 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 175.81 2qov n GLY 174 N -1.31 2.59 3.76 5.82 0.00 -1.16 -4.90 105.19 109.99 2qov n GLY 174 Ca 0.01 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2qov n GLY 174 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qov s ILE 175 N 0.64 3.21 -0.23 -0.61 2.07 -0.44 -4.53 121.20 121.30 2qov s ILE 175 Ca 0.30 1.18 -0.07 0.00 -1.41 0.00 0.00 60.65 60.66 2qov s ILE 175 Cb 0.15 -3.74 -0.03 0.00 0.13 0.00 0.00 42.46 38.97 2qov s ILE 175 CO 0.00 0.26 0.05 -0.62 -1.91 0.00 0.00 174.94 172.72 2qov s ASP 176 N -0.80 5.14 0.03 4.50 -1.08 -1.26 -5.04 116.67 118.16 2qov s ASP 176 Ca 0.48 -0.16 -0.14 0.00 -0.52 0.00 0.00 52.55 52.21 2qov s ASP 176 Cb -0.34 -1.91 -0.07 0.00 -1.46 0.00 0.00 42.92 39.14 2qov s ASP 176 CO 0.44 0.03 1.22 -0.65 0.52 0.00 0.00 175.17 176.72 2qov h PRO 177 N 7.79 -0.42 -0.34 4.34 0.11 -2.01 -2.80 132.00 138.66 2qov h PRO 177 Ca -0.37 0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.79 2qov h PRO 177 Cb 1.18 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2qov h PRO 177 CO 0.60 -0.28 0.23 -0.24 -0.21 0.00 0.00 178.00 178.10 2qov h VAL 178 N -0.44 1.04 -0.08 3.15 3.04 -1.95 -1.81 116.25 119.20 2qov h VAL 178 Ca -0.03 -0.13 -0.02 0.00 -1.01 0.00 0.00 66.70 65.50 2qov h VAL 178 Cb 0.36 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.25 2qov h VAL 178 CO 0.01 0.07 -0.05 0.28 -1.01 0.00 0.00 177.57 176.87 2qov h SER 179 N 0.39 0.10 0.39 3.17 0.02 -1.89 -1.73 113.55 114.01 2qov h SER 179 Ca 0.13 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2qov h SER 179 Cb 0.06 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2qov h SER 179 CO -0.03 0.18 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.58 2qov h LEU 180 N 0.11 -0.44 -2.19 5.07 3.38 -1.05 -1.94 115.31 118.25 2qov h LEU 180 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qov h LEU 180 Cb 0.17 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qov h LEU 180 CO 0.01 -0.24 -0.05 -0.29 0.09 0.00 0.00 178.44 177.95 2qov h ILE 181 N -0.62 0.65 -4.33 1.22 2.10 -1.58 -3.42 117.51 111.53 2qov h ILE 181 Ca -0.05 -0.21 -0.47 0.00 1.08 0.00 0.00 64.86 65.22 2qov h ILE 181 Cb 0.46 1.13 0.09 0.00 -1.09 0.00 0.00 36.82 37.41 2qov h ILE 181 CO 0.09 0.05 0.35 0.00 -1.08 0.00 0.00 178.15 177.56 2qov s ALA 182 N -4.57 2.81 0.38 0.18 0.00 -0.67 -4.92 121.76 114.98 2qov s ALA 182 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2qov s ALA 182 Cb 0.15 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2qov s ALA 182 CO 0.59 -1.57 0.00 1.19 0.00 0.00 0.00 175.76 175.97 2qov n PHE 183 N -3.20 -3.18 0.12 0.00 3.01 -1.26 -4.76 117.46 108.19 2qov n PHE 183 Ca 0.08 1.70 -0.15 0.00 1.01 0.00 0.00 57.45 60.09 2qov n PHE 183 Cb 0.61 -2.82 -0.08 0.00 -0.01 0.00 0.00 39.48 37.18 2qov n PHE 183 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2qov h ASP 184 N 1.13 -1.26 -4.56 4.37 3.32 -0.98 -3.46 116.42 114.97 2qov h ASP 184 Ca 0.00 0.14 -0.43 0.00 0.02 0.00 0.00 57.03 56.76 2qov h ASP 184 Cb 0.04 0.47 -0.11 0.00 0.22 0.00 0.00 39.33 39.95 2qov h ASP 184 CO 0.00 -0.50 -0.42 0.29 -1.72 0.00 0.00 179.24 176.89 2qov n LYS 185 N -5.47 0.38 -4.00 3.56 5.02 -0.32 -4.78 118.16 112.54 2qov n LYS 185 Ca -0.07 -2.99 -0.09 0.00 -2.02 0.00 0.00 58.31 53.14 2qov n LYS 185 Cb 0.38 2.42 -0.11 0.00 -0.02 0.00 0.00 35.03 37.70 2qov n LYS 185 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qov s VAL 186 N -3.20 0.14 0.00 -0.18 0.11 -0.13 -1.40 120.40 115.74 2qov s VAL 186 Ca 0.35 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2qov s VAL 186 Cb 0.02 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2qov s VAL 186 CO 0.25 -0.63 0.00 0.52 -3.33 0.00 0.00 175.10 171.91 2qov n VAL 187 N 1.17 0.00 -2.25 2.04 0.31 -1.26 -0.74 118.33 117.61 2qov n VAL 187 Ca -0.21 0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2qov n VAL 187 Cb 0.57 -0.79 -0.00 0.00 -0.91 0.00 0.00 33.84 32.71 2qov n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qov n MET 188 N -1.34 -4.77 -0.10 5.55 0.00 -0.49 -3.08 117.12 112.89 2qov n MET 188 Ca 0.00 3.51 -0.06 0.00 0.00 0.00 0.00 57.70 61.15 2qov n MET 188 Cb 0.00 -4.40 0.06 0.00 0.00 0.00 0.00 33.22 28.88 2qov n MET 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2qov n THR 189 N 1.68 0.00 0.13 1.12 -2.24 -1.22 -3.56 114.28 110.19 2qov n THR 189 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2qov n THR 189 Cb 0.02 -0.49 0.06 0.00 -2.10 0.00 0.00 70.33 67.82 2qov n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qov h ALA 190 N -2.27 0.67 0.08 6.98 0.00 -1.93 -3.20 119.26 119.60 2qov h ALA 190 Ca -0.08 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.13 2qov h ALA 190 Cb 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qov h ALA 190 CO 0.05 0.78 -0.66 0.22 0.00 0.00 0.00 179.25 179.64 2qov h ASP 191 N 0.00 0.26 -0.77 0.00 1.82 -1.91 -3.14 116.42 112.67 2qov h ASP 191 Ca -0.01 -0.92 0.18 0.00 -0.39 0.00 0.00 57.03 55.89 2qov h ASP 191 Cb 1.37 -0.08 -0.12 0.00 0.68 0.00 0.00 39.33 41.18 2qov h ASP 191 CO 0.08 1.30 0.18 0.00 -1.61 0.00 0.00 179.24 179.19 2qov h ALA 192 N -0.01 1.01 -0.87 -0.78 0.00 -1.84 0.61 119.26 117.39 2qov h ALA 192 Ca -0.13 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qov h ALA 192 Cb 1.41 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2qov h ALA 192 CO 0.06 -0.36 0.48 0.28 0.00 0.00 0.00 179.25 179.71 2qov h VAL 193 N 0.26 1.25 -0.93 0.00 2.07 -1.66 0.15 116.25 117.38 2qov h VAL 193 Ca 0.44 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2qov h VAL 193 Cb 0.79 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2qov h VAL 193 CO -0.55 0.28 0.62 0.50 0.02 0.00 0.00 177.57 178.43 2qov h LYS 194 N 1.20 1.17 -0.11 1.57 3.64 0.14 -0.85 116.57 123.33 2qov h LYS 194 Ca 0.31 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2qov h LYS 194 Cb 0.01 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2qov h LYS 194 CO -0.05 0.78 -0.39 1.96 -2.27 0.00 0.00 179.45 179.47 2qov h GLN 195 N 1.21 0.47 -0.22 1.90 4.20 0.10 -2.96 115.11 119.80 2qov h GLN 195 Ca 0.36 -0.35 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2qov h GLN 195 Cb -0.05 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2qov h GLN 195 CO -0.10 0.97 0.17 0.28 -0.67 0.00 0.00 178.83 179.48 2qov h VAL 196 N 0.06 0.81 -0.28 -0.54 2.07 -0.34 0.24 116.25 118.26 2qov h VAL 196 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2qov h VAL 196 Cb 1.02 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2qov h VAL 196 CO 0.08 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 177.70 2qov h GLU 197 N 0.00 0.23 -0.34 1.57 4.57 -0.99 -1.77 114.58 117.85 2qov h GLU 197 Ca 0.11 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 2qov h GLU 197 Cb 0.44 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2qov h GLU 197 CO -0.00 0.15 -0.17 0.93 -1.18 0.00 0.00 179.01 178.74 2qov h GLU 198 N 0.24 0.72 -1.46 1.92 4.39 -0.84 -2.94 114.58 116.60 2qov h GLU 198 Ca 0.12 -0.32 0.42 0.00 0.34 0.00 0.00 59.36 59.93 2qov h GLU 198 Cb 0.08 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 2qov h GLU 198 CO -0.12 0.92 1.08 1.98 -1.16 0.00 0.00 179.01 181.71 2qov h MET 199 N 0.50 0.00 -6.03 2.33 4.05 0.20 -3.40 114.93 112.58 2qov h MET 199 Ca 0.08 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.93 2qov h MET 199 Cb 0.71 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.42 2qov h MET 199 CO 0.05 0.00 -0.56 -0.51 0.23 0.00 0.00 176.91 176.12 2qov s LEU 200 N -8.05 3.14 0.00 3.39 2.01 -0.88 -5.07 118.68 113.22 2qov s LEU 200 Ca -0.05 -0.90 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2qov s LEU 200 Cb 0.24 -1.56 0.00 0.00 0.01 0.00 0.00 46.19 44.88 2qov s LEU 200 CO 0.82 -0.32 0.00 0.00 1.01 0.00 0.00 176.35 177.86