#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qov s TYR 2 N 0.00 2.36 -0.39 2.03 1.51 -1.26 -4.11 117.35 117.49 2qov s TYR 2 Ca 0.00 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2qov s TYR 2 Cb 0.00 -1.21 0.18 0.00 -0.11 0.00 0.00 41.96 40.82 2qov s TYR 2 CO 0.00 0.44 0.75 0.00 -1.11 0.00 0.00 175.55 175.63 2qov s ALA 3 N -1.42 -2.95 -1.03 3.71 0.00 -0.76 -3.54 121.76 115.77 2qov s ALA 3 Ca 0.19 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 2qov s ALA 3 Cb -0.09 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.32 2qov s ALA 3 CO 0.09 -2.30 1.33 0.14 0.00 0.00 0.00 175.76 175.02 2qov s VAL 4 N 1.82 4.46 0.36 0.00 -7.23 -1.19 -3.39 120.40 115.23 2qov s VAL 4 Ca 0.16 -1.50 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 2qov s VAL 4 Cb -0.02 -4.92 -0.03 0.00 0.56 0.00 0.00 36.38 31.97 2qov s VAL 4 CO -0.09 -1.71 0.28 0.72 -0.31 0.00 0.00 175.10 174.00 2qov s PHE 5 N 3.39 2.81 -0.56 2.82 -0.71 -1.25 -0.58 117.98 123.90 2qov s PHE 5 Ca 0.40 -0.37 -0.20 0.00 -1.04 0.00 0.00 56.93 55.72 2qov s PHE 5 Cb -0.02 -1.87 0.07 0.00 -1.21 0.00 0.00 43.02 39.99 2qov s PHE 5 CO -0.07 0.14 0.73 -1.14 -1.34 0.00 0.00 175.22 173.54 2qov s GLN 6 N -4.00 3.12 0.00 1.99 2.00 -1.26 -3.68 119.66 117.84 2qov s GLN 6 Ca 0.42 -0.92 0.00 0.00 -2.00 0.00 0.00 55.36 52.86 2qov s GLN 6 Cb -0.04 -4.16 0.00 0.00 0.80 0.00 0.00 33.01 29.61 2qov s GLN 6 CO 0.26 -1.43 0.00 -1.13 -0.50 0.00 0.00 175.29 172.49 2qov n SER 7 N 6.59 0.00 0.31 6.67 3.41 0.12 -4.90 113.62 125.82 2qov n SER 7 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2qov n SER 7 Cb 0.45 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2qov n SER 7 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qov h GLY 8 N 0.00 -0.84 -0.19 5.00 0.00 -1.92 -3.41 103.07 101.71 2qov h GLY 8 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2qov h GLY 8 CO 0.00 -0.30 -0.09 0.61 0.00 0.00 0.00 176.54 176.76 2qov n GLY 9 N -0.71 -2.02 3.56 4.60 0.00 -1.26 -5.01 105.19 104.34 2qov n GLY 9 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2qov n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qov s LYS 10 N 0.00 1.98 0.02 1.61 3.01 -1.26 -5.16 119.74 119.94 2qov s LYS 10 Ca 0.00 -2.22 0.03 0.00 -1.01 0.00 0.00 55.97 52.78 2qov s LYS 10 Cb 0.00 -0.76 -0.02 0.00 -1.01 0.00 0.00 37.83 36.05 2qov s LYS 10 CO 0.00 -0.46 -0.11 -0.65 0.51 0.00 0.00 175.35 174.64 2qov s GLN 11 N -3.73 0.77 0.03 1.68 -0.21 -1.26 0.15 119.66 117.09 2qov s GLN 11 Ca 0.21 -0.56 -0.03 0.00 0.02 0.00 0.00 55.36 54.99 2qov s GLN 11 Cb 0.02 -0.73 -0.02 0.00 1.00 0.00 0.00 33.01 33.29 2qov s GLN 11 CO 0.13 0.19 0.05 -1.01 -2.12 0.00 0.00 175.29 172.52 2qov s HIS 12 N -0.64 0.23 -0.91 0.91 3.76 -1.24 -5.00 115.29 112.40 2qov s HIS 12 Ca 0.01 -0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 2qov s HIS 12 Cb -0.06 -0.17 0.16 0.00 1.11 0.00 0.00 32.58 33.61 2qov s HIS 12 CO 0.00 -0.30 1.04 0.50 -0.85 0.00 0.00 174.74 175.13 2qov s ARG 13 N -2.20 3.62 0.33 1.40 3.52 -1.26 -3.89 118.95 120.47 2qov s ARG 13 Ca -0.09 -1.99 0.08 0.00 -0.13 0.00 0.00 55.73 53.60 2qov s ARG 13 Cb -0.04 -4.78 -0.04 0.00 -1.56 0.00 0.00 34.95 28.53 2qov s ARG 13 CO -0.03 -1.63 0.15 0.54 -0.81 0.00 0.00 175.30 173.51 2qov s VAL 14 N 1.92 3.22 0.04 7.11 0.11 -1.22 -4.87 120.40 126.71 2qov s VAL 14 Ca 0.29 -1.66 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 2qov s VAL 14 Cb -0.06 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2qov s VAL 14 CO -0.09 -0.21 -0.05 -0.94 -3.33 0.00 0.00 175.10 170.48 2qov s SER 15 N -3.85 0.53 -0.80 3.54 1.04 -1.26 -1.82 113.70 111.09 2qov s SER 15 Ca 0.37 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 2qov s SER 15 Cb -0.04 0.09 -0.17 0.00 0.10 0.00 0.00 66.02 66.00 2qov s SER 15 CO 0.23 -0.32 2.38 -1.84 0.98 0.00 0.00 173.24 174.68 2qov n GLU 16 N 1.27 0.50 0.00 4.02 0.28 -1.26 -1.84 120.64 123.61 2qov n GLU 16 Ca -0.22 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.23 2qov n GLU 16 Cb 0.56 -3.10 0.00 0.00 1.43 0.00 0.00 31.44 30.33 2qov n GLU 16 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qov n GLY 17 N 6.46 2.18 3.55 -1.84 0.00 -1.23 -4.89 105.19 109.43 2qov n GLY 17 Ca 0.50 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 2qov n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qov s GLN 18 N 0.00 2.67 0.14 1.61 -2.07 -0.76 -4.89 119.66 116.35 2qov s GLN 18 Ca 0.00 0.11 -0.31 0.00 -1.82 0.00 0.00 55.36 53.34 2qov s GLN 18 Cb 0.00 -4.70 -0.10 0.00 -1.09 0.00 0.00 33.01 27.12 2qov s GLN 18 CO 0.00 -2.95 1.59 -0.08 -1.32 0.00 0.00 175.29 172.53 2qov s THR 19 N 9.13 2.75 0.41 3.63 -1.32 -1.26 -4.62 115.64 124.35 2qov s THR 19 Ca 0.66 0.47 0.04 0.00 -1.21 0.00 0.00 61.69 61.64 2qov s THR 19 Cb -0.09 -3.30 -0.04 0.00 -1.51 0.00 0.00 72.50 67.55 2qov s THR 19 CO 0.10 0.03 0.06 -0.69 -2.21 0.00 0.00 174.62 171.90 2qov s VAL 20 N 1.53 1.16 0.21 5.08 1.01 -0.46 -4.95 120.40 123.98 2qov s VAL 20 Ca 0.71 -2.00 0.10 0.00 0.00 0.00 0.00 61.98 60.79 2qov s VAL 20 Cb -0.43 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2qov s VAL 20 CO 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 175.10 175.23 2qov s ARG 21 N -3.81 1.43 0.26 2.72 1.70 -1.26 -1.41 118.95 118.60 2qov s ARG 21 Ca 0.26 -1.57 -0.13 0.00 -0.47 0.00 0.00 55.73 53.81 2qov s ARG 21 Cb 0.06 -1.46 0.00 0.00 -0.57 0.00 0.00 34.95 32.98 2qov s ARG 21 CO 0.13 0.28 0.52 -0.48 -1.08 0.00 0.00 175.30 174.67 2qov s LEU 22 N -3.08 0.28 -0.59 -1.89 2.34 -0.93 -5.01 118.68 109.81 2qov s LEU 22 Ca 0.22 -0.94 -0.29 0.00 0.06 0.00 0.00 54.13 53.18 2qov s LEU 22 Cb -0.04 1.91 -0.12 0.00 -0.56 0.00 0.00 46.19 47.38 2qov s LEU 22 CO 0.09 -1.20 2.44 -0.62 -1.06 0.00 0.00 176.35 176.01 2qov n GLU 23 N -0.41 0.82 -0.18 1.48 -0.58 -1.26 -1.68 120.64 118.83 2qov n GLU 23 Ca -0.02 0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 2qov n GLU 23 Cb 0.61 -2.76 -0.02 0.00 -0.57 0.00 0.00 31.44 28.71 2qov n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qov n LYS 24 N 8.72 0.00 -3.90 3.49 0.00 -1.26 -4.58 118.16 120.63 2qov n LYS 24 Ca 0.45 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 58.42 2qov n LYS 24 Cb 0.35 -0.19 -0.05 0.00 0.00 0.00 0.00 35.03 35.14 2qov n LYS 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2qov s LEU 25 N 0.97 4.37 -0.15 3.14 2.01 -1.26 -4.89 118.68 122.87 2qov s LEU 25 Ca 0.17 0.36 -0.29 0.00 0.01 0.00 0.00 54.13 54.37 2qov s LEU 25 Cb -0.18 -2.59 -0.04 0.00 0.01 0.00 0.00 46.19 43.40 2qov s LEU 25 CO 0.07 0.27 1.65 -0.62 1.01 0.00 0.00 176.35 178.73 2qov s ASP 26 N -1.88 6.48 -0.23 2.29 -1.08 -1.26 -4.95 116.67 116.05 2qov s ASP 26 Ca 0.27 1.90 -0.28 0.00 -0.52 0.00 0.00 52.55 53.91 2qov s ASP 26 Cb -0.13 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 38.95 2qov s ASP 26 CO 0.18 -1.13 1.14 -0.63 0.52 0.00 0.00 175.17 175.24 2qov s ILE 27 N 4.79 0.00 0.98 4.11 -1.09 -1.26 -5.16 121.20 123.56 2qov s ILE 27 Ca 0.73 0.00 -0.15 0.00 -2.23 0.00 0.00 60.65 59.00 2qov s ILE 27 Cb -0.29 -1.00 -0.02 0.00 -1.58 0.00 0.00 42.46 39.57 2qov s ILE 27 CO 0.29 0.00 -0.04 0.00 -1.23 0.00 0.00 174.94 173.96 2qov n ALA 28 N 1.02 -3.66 0.11 9.38 0.00 -1.26 -4.87 120.51 121.22 2qov n ALA 28 Ca -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 2qov n ALA 28 Cb 0.58 -1.56 0.28 0.00 0.00 0.00 0.00 19.45 18.75 2qov n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qov h THR 29 N -1.42 1.27 -2.16 0.00 2.02 -2.00 -3.33 112.91 107.28 2qov h THR 29 Ca -0.44 -1.28 -0.57 0.00 0.77 0.00 0.00 66.41 64.90 2qov h THR 29 Cb 1.30 1.54 -0.41 0.00 -1.74 0.00 0.00 68.15 68.83 2qov h THR 29 CO 0.31 0.38 -0.81 0.61 0.37 0.00 0.00 175.52 176.38 2qov n GLY 30 N -0.42 4.61 3.28 2.16 0.00 -1.26 -3.71 105.19 109.85 2qov n GLY 30 Ca -0.01 -2.39 -0.17 0.00 0.00 0.00 0.00 46.02 43.45 2qov n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qov s GLU 31 N -2.68 1.14 -0.02 1.61 2.02 -1.25 -4.96 118.70 114.56 2qov s GLU 31 Ca 0.43 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2qov s GLU 31 Cb 0.24 -0.87 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 2qov s GLU 31 CO -0.09 0.14 0.03 0.99 0.02 0.00 0.00 175.26 176.35 2qov s THR 32 N -2.87 4.40 0.06 3.63 2.01 -1.26 -1.43 115.64 120.18 2qov s THR 32 Ca 0.16 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.74 2qov s THR 32 Cb -0.01 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 2qov s THR 32 CO 0.03 0.42 -0.10 0.68 -0.69 0.00 0.00 174.62 174.96 2qov s VAL 33 N -1.08 0.79 -0.03 3.82 -7.23 0.22 -4.93 120.40 111.96 2qov s VAL 33 Ca 0.19 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 2qov s VAL 33 Cb -0.12 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 2qov s VAL 33 CO 0.10 -0.37 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.69 2qov s GLU 34 N -1.88 2.30 -0.17 4.82 2.02 -1.26 -0.44 118.70 124.09 2qov s GLU 34 Ca -0.04 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2qov s GLU 34 Cb -0.08 -2.17 0.04 0.00 0.10 0.00 0.00 34.13 32.01 2qov s GLU 34 CO 0.01 0.56 -0.09 -0.06 0.02 0.00 0.00 175.26 175.70 2qov s PHE 35 N -0.59 2.04 -0.79 1.61 0.08 -0.31 -4.79 117.98 115.24 2qov s PHE 35 Ca 0.09 -1.29 0.13 0.00 0.12 0.00 0.00 56.93 55.98 2qov s PHE 35 Cb -0.11 -1.48 0.42 0.00 -0.57 0.00 0.00 43.02 41.28 2qov s PHE 35 CO 0.00 -0.67 1.34 0.00 -0.10 0.00 0.00 175.22 175.79 2qov n ALA 36 N 4.79 2.48 0.56 5.36 0.00 -1.26 0.00 120.51 132.44 2qov n ALA 36 Ca -0.14 -1.50 0.01 0.00 0.00 0.00 0.00 53.44 51.82 2qov n ALA 36 Cb 0.48 -0.58 0.09 0.00 0.00 0.00 0.00 19.45 19.44 2qov n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qov n GLU 37 N 0.35 1.89 -2.15 0.00 4.71 -1.26 -4.38 120.64 119.80 2qov n GLU 37 Ca 0.16 -0.73 -0.43 0.00 -0.01 0.00 0.00 57.16 56.15 2qov n GLU 37 Cb 0.60 -1.67 -0.03 0.00 -1.01 0.00 0.00 31.44 29.34 2qov n GLU 37 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2qov s VAL 38 N -1.39 3.80 -1.57 2.62 0.11 -1.26 -4.25 120.40 118.45 2qov s VAL 38 Ca 0.13 0.95 0.08 0.00 -2.93 0.00 0.00 61.98 60.21 2qov s VAL 38 Cb 0.10 -3.67 0.30 0.00 -1.53 0.00 0.00 36.38 31.57 2qov s VAL 38 CO 0.04 -0.15 1.16 0.00 -3.33 0.00 0.00 175.10 172.82 2qov n LEU 39 N 7.38 2.10 0.00 2.54 -0.00 0.25 -1.03 117.00 128.25 2qov n LEU 39 Ca 0.17 -1.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.12 2qov n LEU 39 Cb 0.44 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2qov n LEU 39 CO 0.61 0.41 0.00 0.80 -0.00 0.00 0.00 177.39 179.22 2qov n MET 40 N 0.36 0.00 -4.29 1.47 0.00 -1.26 -2.94 117.12 110.46 2qov n MET 40 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.57 2qov n MET 40 Cb 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.49 2qov n MET 40 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 2qov s ILE 41 N -0.83 1.71 0.00 1.12 -0.00 -1.26 -3.17 121.20 118.76 2qov s ILE 41 Ca 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 60.65 59.07 2qov s ILE 41 Cb 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 42.46 40.88 2qov s ILE 41 CO 0.00 -0.09 0.30 0.00 -0.00 0.00 0.00 174.94 175.15 2qov n ALA 42 N 1.00 0.00 -0.15 2.27 0.00 -1.23 -3.19 120.51 119.20 2qov n ALA 42 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qov n ALA 42 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2qov n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qov n ASN 43 N -0.41 -0.21 0.06 0.00 6.94 -1.26 -3.67 115.26 116.71 2qov n ASN 43 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.54 2qov n ASN 43 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2qov n ASN 43 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2qov h GLY 44 N 0.00 -0.16 -7.15 4.83 0.00 -2.07 -3.44 103.07 95.08 2qov h GLY 44 Ca 0.00 0.06 -0.67 0.00 0.00 0.00 0.00 47.33 46.72 2qov h GLY 44 CO 0.00 -0.06 -0.68 -0.54 0.00 0.00 0.00 176.54 175.26 2qov s GLU 45 N -2.38 3.17 0.06 4.80 0.41 -1.26 -5.06 118.70 118.44 2qov s GLU 45 Ca -0.02 -0.78 -0.26 0.00 -0.41 0.00 0.00 54.97 53.49 2qov s GLU 45 Cb 0.00 -3.17 -0.14 0.00 -1.78 0.00 0.00 34.13 29.04 2qov s GLU 45 CO 0.07 -0.34 0.63 -0.85 -0.49 0.00 0.00 175.26 174.28 2qov n GLU 46 N 4.80 0.00 -1.06 1.61 0.28 -1.24 -4.84 120.64 120.19 2qov n GLU 46 Ca -0.16 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.68 2qov n GLU 46 Cb 0.49 -0.96 0.20 0.00 1.43 0.00 0.00 31.44 32.60 2qov n GLU 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2qov n VAL 47 N 0.66 2.95 -1.34 3.84 0.31 -1.19 -4.99 118.33 118.57 2qov n VAL 47 Ca 0.14 -2.17 -0.54 0.00 -0.01 0.00 0.00 64.34 61.75 2qov n VAL 47 Cb 0.11 -0.41 -0.11 0.00 -0.91 0.00 0.00 33.84 32.52 2qov n VAL 47 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2qov n LYS 48 N -1.05 0.27 -2.38 5.55 -0.00 -1.26 -4.66 118.16 114.62 2qov n LYS 48 Ca 0.49 0.07 -0.41 0.00 -0.00 0.00 0.00 58.31 58.46 2qov n LYS 48 Cb 1.43 -1.77 -0.04 0.00 -0.00 0.00 0.00 35.03 34.65 2qov n LYS 48 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2qov s ILE 49 N 6.90 3.37 -2.17 0.58 -5.25 -1.15 -4.92 121.20 118.56 2qov s ILE 49 Ca 1.19 1.31 0.18 0.00 -0.99 0.00 0.00 60.65 62.35 2qov s ILE 49 Cb -1.28 -3.84 0.42 0.00 2.95 0.00 0.00 42.46 40.71 2qov s ILE 49 CO 0.59 0.29 1.49 0.61 -1.79 0.00 0.00 174.94 176.13 2qov n GLY 50 N 1.40 0.11 3.11 6.27 0.00 -1.26 -4.83 105.19 109.99 2qov n GLY 50 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2qov n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qov s VAL 51 N -1.78 0.27 -0.56 1.61 -7.23 -1.26 -5.07 120.40 106.39 2qov s VAL 51 Ca 0.29 -1.85 -0.25 0.00 -1.81 0.00 0.00 61.98 58.36 2qov s VAL 51 Cb 0.15 -1.64 -0.14 0.00 0.56 0.00 0.00 36.38 35.30 2qov s VAL 51 CO 0.23 -0.88 1.72 -2.65 -0.31 0.00 0.00 175.10 173.21 2qov n PRO 52 N 0.05 0.00 0.00 4.82 -0.02 -1.26 -4.58 135.00 134.01 2qov n PRO 52 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2qov n PRO 52 Cb 0.61 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 2qov n PRO 52 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2qov n PHE 53 N 6.47 -0.35 -4.11 6.00 -1.74 -1.26 -4.61 117.46 117.85 2qov n PHE 53 Ca 0.43 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.98 2qov n PHE 53 Cb 0.00 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 40.90 2qov n PHE 53 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2qov s VAL 54 N 0.00 4.58 0.00 1.97 0.11 -0.20 -4.76 120.40 122.11 2qov s VAL 54 Ca 0.00 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 2qov s VAL 54 Cb 0.00 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 2qov s VAL 54 CO 0.00 0.48 0.44 -0.90 -3.33 0.00 0.00 175.10 171.79 2qov n ASP 55 N 3.38 0.00 -3.12 3.54 3.85 -1.26 -4.72 116.55 118.21 2qov n ASP 55 Ca -0.17 0.44 -0.17 0.00 -0.71 0.00 0.00 54.79 54.17 2qov n ASP 55 Cb 0.52 0.00 0.15 0.00 -1.35 0.00 0.00 41.12 40.44 2qov n ASP 55 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qov n GLY 56 N -0.73 -2.80 0.93 6.12 0.00 -1.26 -4.91 105.19 102.54 2qov n GLY 56 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2qov n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qov n GLY 57 N -1.97 -4.12 0.00 -0.02 0.00 0.11 -4.83 105.19 94.36 2qov n GLY 57 Ca 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2qov n GLY 57 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qov n VAL 58 N -0.27 0.00 -3.43 1.61 3.14 -1.25 -4.46 118.33 113.66 2qov n VAL 58 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 2qov n VAL 58 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 2qov n VAL 58 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qov s ILE 59 N -1.19 -0.31 0.51 1.55 1.01 0.10 -2.17 121.20 120.71 2qov s ILE 59 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2qov s ILE 59 Cb 0.00 -0.97 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 2qov s ILE 59 CO 0.00 -0.55 1.18 -0.54 0.00 0.00 0.00 174.94 175.03 2qov s LYS 60 N 2.23 3.45 -0.29 2.79 -0.14 -1.26 -1.16 119.74 125.37 2qov s LYS 60 Ca 0.10 1.78 -0.22 0.00 -1.36 0.00 0.00 55.97 56.27 2qov s LYS 60 Cb -0.15 -2.19 0.13 0.00 -1.68 0.00 0.00 37.83 33.94 2qov s LYS 60 CO -0.32 -0.81 1.04 0.00 -0.76 0.00 0.00 175.35 174.51 2qov s ALA 61 N -1.60 -2.09 0.01 5.17 0.00 0.41 -0.41 121.76 123.26 2qov s ALA 61 Ca 0.69 1.97 -0.02 0.00 0.00 0.00 0.00 51.96 54.61 2qov s ALA 61 Cb -0.29 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2qov s ALA 61 CO 0.33 -0.26 0.17 -2.00 0.00 0.00 0.00 175.76 174.00 2qov s GLU 62 N 0.59 3.35 -0.35 0.00 2.56 -1.26 0.72 118.70 124.31 2qov s GLU 62 Ca -0.01 -0.39 -0.29 0.00 0.00 0.00 0.00 54.97 54.29 2qov s GLU 62 Cb -0.05 -3.03 0.02 0.00 2.00 0.00 0.00 34.13 33.07 2qov s GLU 62 CO -0.10 0.65 1.12 0.14 -0.56 0.00 0.00 175.26 176.52 2qov s VAL 63 N -1.35 4.38 -0.33 3.70 -7.23 -0.52 -2.43 120.40 116.63 2qov s VAL 63 Ca 0.28 1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 61.96 2qov s VAL 63 Cb -0.13 -4.42 -0.09 0.00 0.56 0.00 0.00 36.38 32.30 2qov s VAL 63 CO 0.20 -0.60 3.16 0.52 -0.31 0.00 0.00 175.10 178.07 2qov n VAL 64 N 6.14 3.30 -0.75 1.32 0.31 -0.32 -4.42 118.33 123.90 2qov n VAL 64 Ca 0.12 -2.35 0.00 0.00 -0.01 0.00 0.00 64.34 62.11 2qov n VAL 64 Cb 0.47 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2qov n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qov n ALA 65 N 1.77 -1.71 -1.03 3.52 0.00 -1.24 -4.62 120.51 117.20 2qov n ALA 65 Ca 0.48 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 54.08 2qov n ALA 65 Cb 0.70 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 19.28 2qov n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qov n HIS 66 N -0.96 -3.27 0.00 0.00 8.25 -1.26 -3.48 115.22 114.50 2qov n HIS 66 Ca 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 2qov n HIS 66 Cb 0.00 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.81 2qov n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qov n GLY 67 N 0.67 1.49 3.08 -1.41 0.00 -0.13 -4.88 105.19 104.01 2qov n GLY 67 Ca 0.04 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2qov n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qov s ARG 68 N -2.00 2.63 1.09 1.61 0.52 -1.26 -0.97 118.95 120.56 2qov s ARG 68 Ca 0.00 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.35 2qov s ARG 68 Cb 0.00 -2.29 0.14 0.00 0.52 0.00 0.00 34.95 33.32 2qov s ARG 68 CO 0.00 -0.18 0.14 0.41 0.02 0.00 0.00 175.30 175.69 2qov n GLY 69 N 4.57 -2.60 0.00 -3.53 0.00 -1.11 -4.98 105.19 97.55 2qov n GLY 69 Ca -0.19 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2qov n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qov n GLU 70 N -1.98 0.77 -3.59 1.61 -0.00 -1.26 -4.71 120.64 111.48 2qov n GLU 70 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.90 2qov n GLU 70 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.90 2qov n GLU 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2qov s LYS 71 N -0.28 3.61 -0.32 3.44 2.47 -1.26 -4.33 119.74 123.07 2qov s LYS 71 Ca 0.00 -0.11 0.02 0.00 -1.56 0.00 0.00 55.97 54.32 2qov s LYS 71 Cb 0.00 -2.79 0.15 0.00 -1.46 0.00 0.00 37.83 33.73 2qov s LYS 71 CO 0.00 0.39 0.36 0.14 0.16 0.00 0.00 175.35 176.40 2qov s VAL 72 N -1.81 -0.47 0.23 4.02 -7.23 -0.73 -4.99 120.40 109.44 2qov s VAL 72 Ca 0.41 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 2qov s VAL 72 Cb -0.11 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 2qov s VAL 72 CO 0.26 -0.43 1.38 -0.54 -0.31 0.00 0.00 175.10 175.46 2qov s LYS 73 N 2.11 4.32 -0.13 4.82 -0.14 -1.26 -2.21 119.74 127.26 2qov s LYS 73 Ca 0.12 2.20 0.02 0.00 -1.36 0.00 0.00 55.97 56.94 2qov s LYS 73 Cb -0.14 -3.14 -0.00 0.00 -1.68 0.00 0.00 37.83 32.87 2qov s LYS 73 CO -0.22 -0.33 -0.18 0.42 -0.76 0.00 0.00 175.35 174.27 2qov s ILE 74 N -0.04 2.52 0.27 2.17 1.01 0.25 -4.97 121.20 122.40 2qov s ILE 74 Ca 0.57 -0.84 0.11 0.00 0.00 0.00 0.00 60.65 60.50 2qov s ILE 74 Cb -0.40 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2qov s ILE 74 CO 0.42 0.54 -0.16 -0.69 0.00 0.00 0.00 174.94 175.04 2qov s VAL 75 N 0.52 2.68 -0.29 2.92 1.01 -1.26 -1.01 120.40 124.97 2qov s VAL 75 Ca -0.12 -2.26 0.03 0.00 0.00 0.00 0.00 61.98 59.63 2qov s VAL 75 Cb -0.16 -2.40 0.18 0.00 0.00 0.00 0.00 36.38 34.00 2qov s VAL 75 CO 0.04 -0.37 0.54 -0.54 0.00 0.00 0.00 175.10 174.78 2qov s LYS 76 N -3.46 0.52 0.16 2.72 1.02 -0.53 -4.96 119.74 115.21 2qov s LYS 76 Ca 0.29 0.60 0.09 0.00 0.02 0.00 0.00 55.97 56.97 2qov s LYS 76 Cb -0.06 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 2qov s LYS 76 CO 0.16 -0.89 -0.12 0.12 -0.92 0.00 0.00 175.35 173.69 2qov s PHE 77 N 2.76 2.60 -0.44 3.18 2.19 -1.26 -1.33 117.98 125.68 2qov s PHE 77 Ca 0.13 -0.23 0.07 0.00 0.33 0.00 0.00 56.93 57.23 2qov s PHE 77 Cb -0.12 -1.30 0.23 0.00 -1.31 0.00 0.00 43.02 40.52 2qov s PHE 77 CO -0.24 0.49 0.65 -2.13 1.83 0.00 0.00 175.22 175.81 2qov n ARG 78 N 0.23 0.67 -0.74 10.12 0.63 -1.13 -5.02 116.66 121.42 2qov n ARG 78 Ca -0.12 -2.59 -0.23 0.00 -0.92 0.00 0.00 57.85 53.98 2qov n ARG 78 Cb 0.55 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.09 2qov n ARG 78 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2qov n ARG 79 N 1.76 0.00 -0.52 -0.14 1.85 -1.26 -1.83 116.66 116.52 2qov n ARG 79 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 2qov n ARG 79 Cb 0.56 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 31.39 2qov n ARG 79 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2qov n ARG 80 N 0.82 0.00 -1.04 2.89 1.74 -1.26 -4.91 116.66 114.91 2qov n ARG 80 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2qov n ARG 80 Cb 0.25 -3.39 0.00 0.00 -1.02 0.00 0.00 32.46 28.30 2qov n ARG 80 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qov n LYS 81 N -2.00 2.54 -0.13 5.56 4.76 -0.76 -5.10 118.16 123.03 2qov n LYS 81 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 2qov n LYS 81 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2qov n LYS 81 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qov n HIS 82 N 0.00 0.14 -0.19 2.13 8.25 -1.26 -4.94 115.22 119.35 2qov n HIS 82 Ca 0.00 0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.45 2qov n HIS 82 Cb 0.00 -1.01 -0.02 0.00 1.12 0.00 0.00 29.99 30.08 2qov n HIS 82 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2qov n TYR 83 N -4.14 0.10 -3.55 4.41 -0.00 -1.26 -4.86 117.16 107.86 2qov n TYR 83 Ca -0.51 0.07 -0.21 0.00 -0.00 0.00 0.00 57.90 57.25 2qov n TYR 83 Cb 0.88 -0.32 -0.15 0.00 -0.00 0.00 0.00 39.34 39.75 2qov n TYR 83 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2qov s ARG 84 N 1.09 0.13 0.01 2.98 3.52 -1.25 -2.84 118.95 122.58 2qov s ARG 84 Ca 0.18 0.10 0.07 0.00 -0.13 0.00 0.00 55.73 55.95 2qov s ARG 84 Cb -0.18 -1.43 -0.02 0.00 -1.56 0.00 0.00 34.95 31.76 2qov s ARG 84 CO 0.07 -0.65 -0.22 0.15 -0.81 0.00 0.00 175.30 173.85 2qov s LYS 85 N 2.25 1.66 -0.45 5.12 1.02 -0.44 -4.99 119.74 123.89 2qov s LYS 85 Ca 0.05 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.25 2qov s LYS 85 Cb -0.16 -1.67 0.22 0.00 -0.52 0.00 0.00 37.83 35.70 2qov s LYS 85 CO -0.11 0.45 0.48 1.04 -0.92 0.00 0.00 175.35 176.29 2qov n GLN 86 N 2.29 0.82 -3.31 1.68 6.02 -1.25 -1.46 117.38 122.17 2qov n GLN 86 Ca -0.16 -3.47 -0.35 0.00 -0.01 0.00 0.00 57.00 53.00 2qov n GLN 86 Cb 0.53 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 2qov n GLN 86 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2qov s GLN 87 N -0.92 4.02 0.20 -1.09 0.74 -0.18 -4.85 119.66 117.59 2qov s GLN 87 Ca 0.34 0.55 0.08 0.00 0.05 0.00 0.00 55.36 56.38 2qov s GLN 87 Cb 0.10 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 2qov s GLN 87 CO -0.14 0.46 0.02 0.20 -0.55 0.00 0.00 175.29 175.28 2qov s GLY 88 N -1.71 1.68 0.07 2.59 0.00 -1.26 0.86 107.32 109.55 2qov s GLY 88 Ca 0.39 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 2qov s GLY 88 CO 0.19 -1.46 0.03 -1.58 0.00 0.00 0.00 173.10 170.29 2qov s HIS 89 N -1.89 0.49 0.00 1.90 2.46 -0.94 -4.94 115.29 112.36 2qov s HIS 89 Ca 0.29 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 54.83 2qov s HIS 89 Cb -0.09 -0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.04 2qov s HIS 89 CO 0.19 -0.44 0.00 -2.13 -2.47 0.00 0.00 174.74 169.89 2qov n ARG 90 N 0.04 0.39 -0.63 2.88 0.63 -1.26 -1.77 116.66 116.94 2qov n ARG 90 Ca -0.13 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 56.88 2qov n ARG 90 Cb 0.62 -0.56 -0.04 0.00 0.45 0.00 0.00 32.46 32.93 2qov n ARG 90 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2qov n GLN 91 N -0.88 -1.41 -4.45 -0.14 -0.06 -1.26 -3.24 117.38 105.94 2qov n GLN 91 Ca 0.00 1.12 -0.23 0.00 -2.00 0.00 0.00 57.00 55.89 2qov n GLN 91 Cb 0.06 -1.67 -0.10 0.00 -4.06 0.00 0.00 30.24 24.47 2qov n GLN 91 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2qov s TRP 92 N -3.11 2.16 -0.23 3.69 0.52 -1.26 -2.74 118.94 117.96 2qov s TRP 92 Ca 0.00 -0.43 -0.28 0.00 0.02 0.00 0.00 56.10 55.40 2qov s TRP 92 Cb 0.00 -1.02 0.15 0.00 -1.15 0.00 0.00 33.47 31.45 2qov s TRP 92 CO 0.00 0.59 1.14 -0.59 0.02 0.00 0.00 176.95 178.11 2qov s PHE 93 N -2.66 -0.28 0.44 -1.98 -0.12 -0.14 -4.35 117.98 108.89 2qov s PHE 93 Ca 0.29 0.54 0.04 0.00 -0.05 0.00 0.00 56.93 57.75 2qov s PHE 93 Cb -0.02 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2qov s PHE 93 CO 0.13 -0.21 0.02 0.95 -0.05 0.00 0.00 175.22 176.06 2qov s THR 94 N -0.69 1.50 0.14 -4.49 -4.23 -0.68 -0.96 115.64 106.24 2qov s THR 94 Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2qov s THR 94 Cb -0.02 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2qov s THR 94 CO -0.04 0.00 -0.06 -1.81 -0.54 0.00 0.00 174.62 172.17 2qov s ASP 95 N -3.74 1.49 0.10 3.99 1.01 -1.23 -2.19 116.67 116.10 2qov s ASP 95 Ca 0.23 -1.06 -0.16 0.00 0.71 0.00 0.00 52.55 52.28 2qov s ASP 95 Cb 0.06 0.05 0.03 0.00 1.01 0.00 0.00 42.92 44.07 2qov s ASP 95 CO 0.12 -0.43 0.38 0.68 0.21 0.00 0.00 175.17 176.12 2qov s VAL 96 N -3.49 0.08 0.00 -1.27 -7.23 -0.50 -1.18 120.40 106.82 2qov s VAL 96 Ca 0.18 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2qov s VAL 96 Cb 0.04 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.85 2qov s VAL 96 CO 0.00 -0.34 0.00 1.17 -0.31 0.00 0.00 175.10 175.62 2qov n LYS 97 N -0.03 0.27 -1.14 4.82 4.81 -1.02 -1.36 118.16 124.52 2qov n LYS 97 Ca -0.17 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.33 2qov n LYS 97 Cb 0.63 -0.98 -0.03 0.00 0.02 0.00 0.00 35.03 34.66 2qov n LYS 97 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2qov n ILE 98 N -1.45 -1.52 -1.31 3.15 -0.00 -1.26 -3.48 119.36 113.48 2qov n ILE 98 Ca 0.00 0.93 -0.00 0.00 -0.00 0.00 0.00 62.75 63.67 2qov n ILE 98 Cb 0.00 -1.49 -0.00 0.00 -0.00 0.00 0.00 39.64 38.15 2qov n ILE 98 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2qov n THR 99 N -2.99 0.00 0.00 1.39 -2.24 0.46 -4.08 114.28 106.82 2qov n THR 99 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2qov n THR 99 Cb 0.43 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2qov n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qov n GLY 100 N 0.00 0.84 2.66 3.38 0.00 -1.14 -4.72 105.19 106.21 2qov n GLY 100 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2qov n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qov n ILE 101 N 0.00-12.54 -3.94 -0.61 2.08 -0.97 -4.80 119.36 98.58 2qov n ILE 101 Ca 0.00 2.32 -0.05 0.00 0.56 0.00 0.00 62.75 65.57 2qov n ILE 101 Cb 0.00 -6.78 -0.02 0.00 -0.75 0.00 0.00 39.64 32.09 2qov n ILE 101 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2qov n SER 102 N 1.18 -0.29 0.00 4.38 3.41 -0.92 -4.96 113.62 116.41 2qov n SER 102 Ca -0.20 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 2qov n SER 102 Cb 0.32 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2qov n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88