#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd n SER 2 N 0.00 0.00 -3.11 6.43 2.88 -1.26 -5.10 113.62 113.46 1qnd n SER 2 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1qnd n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qnd s ALA 3 N -1.00 0.90 0.00 -1.46 0.00 -1.26 -4.97 121.76 113.97 1qnd s ALA 3 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1qnd s ALA 3 Cb 0.00 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.28 1qnd s ALA 3 CO 0.00 -0.79 0.00 0.43 0.00 0.00 0.00 175.76 175.40 1qnd n SER 4 N -1.60 0.00 -2.30 0.00 7.64 -1.15 -4.93 113.62 111.28 1qnd n SER 4 Ca 0.01 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.71 1qnd n SER 4 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1qnd n SER 4 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qnd n ASP 5 N -0.67 -5.33 0.00 6.43 8.00 -1.26 -4.86 116.55 118.85 1qnd n ASP 5 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1qnd n ASP 5 Cb 0.00 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qnd n GLY 6 N -1.21 -0.00 3.72 0.44 0.00 -1.26 -4.96 105.19 101.93 1qnd n GLY 6 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1qnd n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qnd s PHE 7 N -0.27 2.13 -1.28 1.61 0.08 -1.26 -4.86 117.98 114.13 1qnd s PHE 7 Ca 0.00 1.65 0.09 0.00 0.12 0.00 0.00 56.93 58.79 1qnd s PHE 7 Cb 0.00 -3.18 0.41 0.00 -0.57 0.00 0.00 43.02 39.68 1qnd s PHE 7 CO 0.00 -2.29 1.19 1.17 -0.10 0.00 0.00 175.22 175.20 1qnd n LYS 8 N -3.87 0.08 0.00 0.44 4.81 -1.26 -0.56 118.16 117.81 1qnd n LYS 8 Ca 0.10 0.25 0.09 0.00 -0.87 0.00 0.00 58.31 57.88 1qnd n LYS 8 Cb 0.53 -1.50 0.51 0.00 0.02 0.00 0.00 35.03 34.58 1qnd n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qnd n ALA 9 N -1.36 2.16 0.01 3.14 0.00 -1.26 -4.27 120.51 118.93 1qnd n ALA 9 Ca 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1qnd n ALA 9 Cb 0.08 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1qnd n ALA 9 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qnd h ASN 10 N 0.00 -0.75 -0.69 0.00 -0.73 -1.16 -0.30 115.58 111.94 1qnd h ASN 10 Ca 0.00 0.12 0.07 0.00 1.87 0.00 0.00 56.30 58.36 1qnd h ASN 10 Cb 0.00 0.33 -0.04 0.00 0.27 0.00 0.00 38.32 38.87 1qnd h ASN 10 CO 0.00 -0.30 0.46 0.17 -0.37 0.00 0.00 177.43 177.39 1qnd h LEU 11 N -0.33 0.60 -0.26 0.34 -0.00 -1.85 -1.79 115.31 112.02 1qnd h LEU 11 Ca 0.09 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1qnd h LEU 11 Cb 0.46 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 1qnd h LEU 11 CO -0.29 0.38 0.13 0.58 -0.00 0.00 0.00 178.44 179.25 1qnd h VAL 12 N 0.68 1.00 -0.07 0.15 2.07 -1.33 0.78 116.25 119.52 1qnd h VAL 12 Ca 0.30 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.56 1qnd h VAL 12 Cb 0.32 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1qnd h VAL 12 CO -0.10 0.05 -0.66 -0.26 0.02 0.00 0.00 177.57 176.62 1qnd h PHE 13 N 0.28 0.40 0.00 1.57 0.04 -1.08 -3.18 116.94 114.97 1qnd h PHE 13 Ca 0.11 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1qnd h PHE 13 Cb 0.03 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1qnd h PHE 13 CO -0.09 0.87 -0.26 -0.22 -0.60 0.00 0.00 178.31 178.01 1qnd h LYS 14 N 0.21 0.00 -0.30 1.51 3.64 -0.87 -1.49 116.57 119.28 1qnd h LYS 14 Ca -0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1qnd h LYS 14 Cb 1.20 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1qnd h LYS 14 CO 0.11 0.26 -0.01 0.93 -2.27 0.00 0.00 179.45 178.47 1qnd h GLU 15 N 0.00 0.08 -0.23 1.90 4.39 -0.84 0.38 114.58 120.26 1qnd h GLU 15 Ca -0.00 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1qnd h GLU 15 Cb 0.77 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1qnd h GLU 15 CO 0.03 0.05 0.05 0.82 -1.16 0.00 0.00 179.01 178.80 1qnd h ILE 16 N 0.08 0.90 0.31 3.13 2.04 -1.34 -1.63 117.51 121.00 1qnd h ILE 16 Ca 0.15 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1qnd h ILE 16 Cb 0.20 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1qnd h ILE 16 CO -0.25 0.03 -0.23 -0.08 0.00 0.00 0.00 178.15 177.61 1qnd h GLU 17 N 0.14 -0.53 -0.55 2.37 4.81 -1.25 -1.71 114.58 117.86 1qnd h GLU 17 Ca 0.10 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1qnd h GLU 17 Cb 0.10 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1qnd h GLU 17 CO -0.14 -0.35 0.23 -0.22 -0.73 0.00 0.00 179.01 177.81 1qnd h LYS 18 N -0.55 0.79 -0.53 1.92 3.64 0.16 0.28 116.57 122.28 1qnd h LYS 18 Ca -0.02 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1qnd h LYS 18 Cb 0.47 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1qnd h LYS 18 CO -0.00 0.63 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.46 1qnd h LYS 19 N 0.78 1.01 -0.08 1.90 1.63 -1.30 -3.00 116.57 117.50 1qnd h LYS 19 Ca 0.19 -0.39 -0.07 0.00 -0.85 0.00 0.00 60.65 59.54 1qnd h LYS 19 Cb 0.13 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1qnd h LYS 19 CO -0.02 1.07 -0.26 -0.07 -3.45 0.00 0.00 179.45 176.72 1qnd h LEU 20 N 0.89 0.14 0.14 5.20 3.38 0.19 -2.96 115.31 122.30 1qnd h LEU 20 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1qnd h LEU 20 Cb 0.70 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1qnd h LEU 20 CO 0.05 0.40 -0.07 -0.33 0.09 0.00 0.00 178.44 178.59 1qnd h GLU 21 N 0.13 -0.19 -0.31 1.13 4.39 -0.55 0.21 114.58 119.40 1qnd h GLU 21 Ca 0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1qnd h GLU 21 Cb 0.53 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1qnd h GLU 21 CO 0.04 0.01 0.15 1.05 -1.16 0.00 0.00 179.01 179.10 1qnd h GLU 22 N -0.36 0.44 0.00 2.33 4.11 -1.42 -3.40 114.58 116.28 1qnd h GLU 22 Ca -0.02 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 1qnd h GLU 22 Cb 0.28 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.31 1qnd h GLU 22 CO 0.03 0.41 -0.28 -1.91 0.07 0.00 0.00 179.01 177.33 1qnd n GLU 23 N -4.78 1.29 0.32 1.06 2.13 -1.13 -4.95 120.64 114.58 1qnd n GLU 23 Ca -0.02 -1.32 0.15 0.00 0.66 0.00 0.00 57.16 56.63 1qnd n GLU 23 Cb 0.10 0.30 0.77 0.00 0.27 0.00 0.00 31.44 32.89 1qnd n GLU 23 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1qnd h GLY 24 N 1.22 0.00 1.73 8.31 0.00 -0.62 -3.18 103.07 110.52 1qnd h GLY 24 Ca -0.40 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.95 1qnd h GLY 24 CO -0.16 0.00 0.12 1.05 0.00 0.00 0.00 176.54 177.55 1qnd h GLU 25 N 0.00 0.00 0.00 4.80 4.11 -1.66 0.14 114.58 121.97 1qnd h GLU 25 Ca 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.31 1qnd h GLU 25 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1qnd h GLU 25 CO -0.00 0.00 -1.75 0.94 0.07 0.00 0.00 179.01 178.27 1qnd n GLN 26 N -3.53 0.65 0.10 1.06 0.00 -1.20 -3.61 117.38 110.84 1qnd n GLN 26 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 57.00 56.96 1qnd n GLN 26 Cb 0.21 -1.66 0.04 0.00 0.00 0.00 0.00 30.24 28.83 1qnd n GLN 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1qnd h PHE 27 N 0.00 0.14 -0.92 3.69 0.04 -1.21 -1.75 116.94 116.92 1qnd h PHE 27 Ca -0.17 -0.07 0.16 0.00 2.80 0.00 0.00 57.97 60.69 1qnd h PHE 27 Cb 1.45 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 39.49 1qnd h PHE 27 CO 0.00 0.84 0.52 0.28 -0.60 0.00 0.00 178.31 179.35 1qnd h VAL 28 N 0.06 0.74 -0.24 -0.55 2.07 -0.95 -1.16 116.25 116.22 1qnd h VAL 28 Ca -0.02 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.09 1qnd h VAL 28 Cb 1.38 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1qnd h VAL 28 CO 0.11 0.13 -0.52 0.11 0.02 0.00 0.00 177.57 177.43 1qnd h LYS 29 N 0.72 0.68 0.85 1.57 1.79 -1.40 -0.26 116.57 120.52 1qnd h LYS 29 Ca 0.51 -0.41 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1qnd h LYS 29 Cb 0.72 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1qnd h LYS 29 CO -0.36 1.03 -0.41 0.87 -1.08 0.00 0.00 179.45 179.50 1qnd h LYS 30 N 0.53 -1.10 0.00 3.15 1.57 -0.71 -3.36 116.57 116.65 1qnd h LYS 30 Ca 0.02 0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1qnd h LYS 30 Cb 1.08 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.64 1qnd h LYS 30 CO 0.10 -0.74 -0.00 0.82 -0.57 0.00 0.00 179.45 179.07 1qnd h ILE 31 N -1.15 0.53 -4.72 1.86 2.04 -1.35 -3.49 117.51 111.23 1qnd h ILE 31 Ca -0.12 -1.40 -0.23 0.00 1.00 0.00 0.00 64.86 64.12 1qnd h ILE 31 Cb 0.88 1.00 0.13 0.00 -0.74 0.00 0.00 36.82 38.09 1qnd h ILE 31 CO 0.19 0.18 -0.58 0.61 0.00 0.00 0.00 178.15 178.55 1qnd n GLY 32 N 1.73 -0.28 0.00 5.37 0.00 -0.11 -4.79 105.19 107.11 1qnd n GLY 32 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qnd n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 33 N -1.15 1.99 3.77 -0.02 0.00 -0.07 -4.84 105.19 104.87 1qnd n GLY 33 Ca -0.17 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1qnd n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qnd s ILE 34 N -1.33 3.48 0.18 -0.61 1.09 -1.26 -3.88 121.20 118.87 1qnd s ILE 34 Ca 0.00 1.23 -0.02 0.00 -1.10 0.00 0.00 60.65 60.77 1qnd s ILE 34 Cb 0.00 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 1qnd s ILE 34 CO 0.00 0.10 0.13 0.72 -0.10 0.00 0.00 174.94 175.79 1qnd s PHE 35 N -1.48 1.03 -0.09 3.97 -0.71 -0.65 -0.68 117.98 119.38 1qnd s PHE 35 Ca 0.55 -1.30 0.04 0.00 -1.04 0.00 0.00 56.93 55.19 1qnd s PHE 35 Cb -0.27 -0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 41.04 1qnd s PHE 35 CO 0.34 -0.62 -0.23 0.00 -1.34 0.00 0.00 175.22 173.36 1qnd s ALA 36 N -4.12 2.08 -0.59 1.99 0.00 -0.97 -0.65 121.76 119.50 1qnd s ALA 36 Ca 0.34 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 1qnd s ALA 36 Cb 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1qnd s ALA 36 CO 0.09 0.31 1.02 -0.06 0.00 0.00 0.00 175.76 177.12 1qnd s PHE 37 N 0.23 2.69 -0.70 0.00 0.08 -1.02 -1.23 117.98 118.03 1qnd s PHE 37 Ca -0.14 -0.04 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 1qnd s PHE 37 Cb -0.17 -4.24 0.02 0.00 -0.57 0.00 0.00 43.02 38.07 1qnd s PHE 37 CO 0.07 -1.52 1.33 0.15 -0.10 0.00 0.00 175.22 175.16 1qnd s LYS 38 N 4.32 3.18 -0.67 0.44 1.02 0.25 -3.63 119.74 124.66 1qnd s LYS 38 Ca 0.32 -0.07 -0.11 0.00 0.02 0.00 0.00 55.97 56.13 1qnd s LYS 38 Cb -0.12 -4.18 0.17 0.00 -0.52 0.00 0.00 37.83 33.18 1qnd s LYS 38 CO 0.18 -2.14 0.56 0.08 -0.92 0.00 0.00 175.35 173.12 1qnd s VAL 39 N 5.99 4.80 0.60 3.17 1.01 -0.21 -3.07 120.40 132.70 1qnd s VAL 39 Ca 0.40 -2.32 0.04 0.00 0.00 0.00 0.00 61.98 60.09 1qnd s VAL 39 Cb -0.09 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1qnd s VAL 39 CO 0.17 -0.92 0.83 -1.59 0.00 0.00 0.00 175.10 173.60 1qnd s LYS 40 N 0.54 2.20 -1.98 2.72 0.00 -1.26 -0.71 119.74 121.24 1qnd s LYS 40 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 55.97 54.91 1qnd s LYS 40 Cb -0.19 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.14 1qnd s LYS 40 CO -0.04 -0.97 0.00 -3.47 0.00 0.00 0.00 175.35 170.87 1qnd n ASP 41 N -2.43 -5.55 -3.52 0.03 2.03 -0.71 -1.67 116.55 104.72 1qnd n ASP 41 Ca 0.13 0.28 -0.30 0.00 0.52 0.00 0.00 54.79 55.42 1qnd n ASP 41 Cb 0.60 -4.78 0.29 0.00 -0.72 0.00 0.00 41.12 36.51 1qnd n ASP 41 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1qnd s GLY 42 N -2.43 1.42 -0.77 0.27 0.00 -1.07 -4.32 107.32 100.41 1qnd s GLY 42 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.73 1qnd s GLY 42 CO 0.00 0.25 2.40 -1.55 0.00 0.00 0.00 173.10 174.19 1qnd n PRO 43 N -5.63 0.56 0.00 2.90 -0.04 -1.26 -0.24 135.00 131.30 1qnd n PRO 43 Ca 0.12 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1qnd n PRO 43 Cb 0.59 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 1qnd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qnd n GLY 44 N 6.56 1.94 0.00 0.55 0.00 -1.26 -4.93 105.19 108.04 1qnd n GLY 44 Ca 0.48 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1qnd n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 45 N 0.00 0.95 1.54 -0.02 0.00 0.67 -5.09 105.19 103.24 1qnd n GLY 45 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1qnd n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 46 N 0.00 -2.00 -4.44 1.61 5.02 -1.26 -4.05 118.16 113.03 1qnd n LYS 46 Ca 0.00 -0.77 -0.24 0.00 -2.02 0.00 0.00 58.31 55.29 1qnd n LYS 46 Cb 0.00 -0.72 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 1qnd n LYS 46 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qnd s GLU 47 N -4.09 1.20 0.28 1.97 2.12 -1.26 -1.74 118.70 117.18 1qnd s GLU 47 Ca 0.31 -1.01 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1qnd s GLU 47 Cb -0.03 -1.36 -0.06 0.00 0.26 0.00 0.00 34.13 32.94 1qnd s GLU 47 CO 0.24 0.33 0.02 0.00 -0.54 0.00 0.00 175.26 175.31 1qnd s ALA 48 N -0.98 2.12 -0.13 6.30 0.00 0.11 -2.94 121.76 126.25 1qnd s ALA 48 Ca 0.06 -1.92 -0.22 0.00 0.00 0.00 0.00 51.96 49.88 1qnd s ALA 48 Cb -0.09 0.55 0.05 0.00 0.00 0.00 0.00 23.12 23.63 1qnd s ALA 48 CO 0.03 -0.26 0.54 0.99 0.00 0.00 0.00 175.76 177.06 1qnd s THR 49 N -3.33 0.01 -0.18 0.00 2.01 -1.26 -1.04 115.64 111.86 1qnd s THR 49 Ca 0.33 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1qnd s THR 49 Cb 0.07 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.80 1qnd s THR 49 CO 0.12 -0.05 -0.17 0.26 -0.69 0.00 0.00 174.62 174.09 1qnd s TRP 50 N -0.41 2.61 -0.02 4.92 0.51 -1.24 -3.64 118.94 121.66 1qnd s TRP 50 Ca -0.06 -1.56 -0.30 0.00 -2.12 0.00 0.00 56.10 52.06 1qnd s TRP 50 Cb -0.03 -1.80 -0.03 0.00 -0.81 0.00 0.00 33.47 30.80 1qnd s TRP 50 CO 0.04 -0.77 1.03 0.08 -0.51 0.00 0.00 176.95 176.82 1qnd s VAL 51 N 1.34 4.70 -0.38 4.03 1.01 -1.04 -2.44 120.40 127.62 1qnd s VAL 51 Ca 0.04 1.95 -0.09 0.00 0.00 0.00 0.00 61.98 63.88 1qnd s VAL 51 Cb -0.14 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.05 1qnd s VAL 51 CO -0.11 0.10 0.20 -0.69 0.00 0.00 0.00 175.10 174.60 1qnd s VAL 52 N 1.35 4.17 -0.46 2.92 1.01 0.18 -0.18 120.40 129.39 1qnd s VAL 52 Ca 0.52 -1.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1qnd s VAL 52 Cb -0.22 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1qnd s VAL 52 CO 0.25 -0.34 1.04 -0.62 0.00 0.00 0.00 175.10 175.43 1qnd s ASP 53 N 1.75 6.60 -0.35 3.32 -1.08 -0.85 -1.63 116.67 124.43 1qnd s ASP 53 Ca 0.01 0.38 0.14 0.00 -0.52 0.00 0.00 52.55 52.56 1qnd s ASP 53 Cb -0.21 -2.51 0.45 0.00 -1.46 0.00 0.00 42.92 39.19 1qnd s ASP 53 CO 0.03 -1.14 1.02 1.33 0.52 0.00 0.00 175.17 176.94 1qnd n VAL 54 N 6.59 1.47 0.00 1.11 0.24 -1.25 -2.48 118.33 124.01 1qnd n VAL 54 Ca 0.10 -3.64 0.00 0.00 -2.04 0.00 0.00 64.34 58.75 1qnd n VAL 54 Cb 0.49 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1qnd n VAL 54 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1qnd n LYS 55 N -0.25 0.00 -3.30 7.34 0.00 -1.26 -0.89 118.16 119.80 1qnd n LYS 55 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 58.12 1qnd n LYS 55 Cb 0.78 -0.19 -0.06 0.00 0.00 0.00 0.00 35.03 35.55 1qnd n LYS 55 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1qnd s ASN 56 N -4.89 6.91 0.83 3.14 0.01 -1.26 -4.91 114.94 114.78 1qnd s ASN 56 Ca 0.00 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 1qnd s ASN 56 Cb 0.00 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1qnd s ASN 56 CO 0.00 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1qnd n GLY 57 N 2.26 2.33 0.01 0.66 0.00 -1.26 -1.60 105.19 107.59 1qnd n GLY 57 Ca -0.09 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.67 1qnd n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 58 N 10.84 0.63 -0.27 1.61 5.02 -1.26 -4.79 118.16 129.94 1qnd n LYS 58 Ca 0.00 -0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1qnd n LYS 58 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qnd n GLY 59 N 1.19 -2.85 3.60 0.72 0.00 -0.63 -2.11 105.19 105.11 1qnd n GLY 59 Ca 0.18 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 1qnd n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qnd s SER 60 N -4.20 -0.24 -0.15 1.61 0.01 -1.03 -4.66 113.70 105.04 1qnd s SER 60 Ca 0.00 0.22 -0.22 0.00 1.31 0.00 0.00 55.95 57.26 1qnd s SER 60 Cb 0.00 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 1qnd s SER 60 CO 0.00 -0.25 0.65 -0.69 0.41 0.00 0.00 173.24 173.36 1qnd s VAL 61 N -1.36 5.04 -0.51 3.43 1.01 -1.26 -2.00 120.40 124.74 1qnd s VAL 61 Ca 0.03 1.27 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 1qnd s VAL 61 Cb -0.01 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1qnd s VAL 61 CO -0.03 0.17 0.43 -0.76 0.00 0.00 0.00 175.10 174.91 1qnd s LEU 62 N 1.47 5.96 0.48 3.92 1.43 0.75 -4.96 118.68 127.72 1qnd s LEU 62 Ca 0.32 -1.88 -0.22 0.00 -1.03 0.00 0.00 54.13 51.32 1qnd s LEU 62 Cb -0.16 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1qnd s LEU 62 CO 0.13 -0.77 1.12 -2.16 0.23 0.00 0.00 176.35 174.89 1qnd s PRO 63 N 1.44 3.72 -0.78 1.29 0.04 -1.26 -2.50 135.00 136.96 1qnd s PRO 63 Ca 0.05 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1qnd s PRO 63 Cb -0.28 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1qnd s PRO 63 CO 0.01 -0.55 0.00 0.09 0.04 0.00 0.00 177.00 176.59 1qnd n ASN 64 N -0.71 -2.35 -4.86 6.66 4.13 -1.24 -4.83 115.26 112.06 1qnd n ASN 64 Ca 0.08 0.23 -0.31 0.00 1.68 0.00 0.00 54.58 56.27 1qnd n ASN 64 Cb 0.50 -2.26 -0.02 0.00 -1.54 0.00 0.00 39.78 36.45 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1qnd s SER 65 N -1.79 6.51 0.16 6.41 0.15 -1.23 -4.98 113.70 118.93 1qnd s SER 65 Ca 0.00 1.40 0.16 0.00 0.70 0.00 0.00 55.95 58.21 1qnd s SER 65 Cb 0.00 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1qnd s SER 65 CO 0.00 -0.59 1.12 -2.24 1.20 0.00 0.00 173.24 172.72 1qnd h ASP 66 N 0.73 0.00 -3.18 5.45 2.03 -1.92 -3.48 116.42 116.05 1qnd h ASP 66 Ca -0.46 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.30 1qnd h ASP 66 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1qnd h ASP 66 CO 0.62 0.55 0.58 -0.75 -1.03 0.00 0.00 179.24 179.20 1qnd s LYS 67 N -2.94 4.42 0.92 4.15 2.36 -1.26 -4.96 119.74 122.43 1qnd s LYS 67 Ca 0.00 1.76 -0.15 0.00 -2.55 0.00 0.00 55.97 55.03 1qnd s LYS 67 Cb 0.08 -3.37 0.22 0.00 -1.05 0.00 0.00 37.83 33.71 1qnd s LYS 67 CO 0.78 -0.28 0.94 0.36 1.55 0.00 0.00 175.35 178.70 1qnd n LYS 68 N 4.08 -2.18 -4.03 4.03 2.85 -1.26 -5.00 118.16 116.65 1qnd n LYS 68 Ca 0.09 -1.48 -0.26 0.00 -1.05 0.00 0.00 58.31 55.62 1qnd n LYS 68 Cb 0.46 -1.24 -0.04 0.00 -0.65 0.00 0.00 35.03 33.56 1qnd n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qnd s ALA 69 N -3.32 4.07 -0.09 0.58 0.00 -1.26 -4.94 121.76 116.79 1qnd s ALA 69 Ca 0.58 -1.52 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1qnd s ALA 69 Cb -0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1qnd s ALA 69 CO 0.43 -0.28 0.43 -0.44 0.00 0.00 0.00 175.76 175.90 1qnd h ASP 70 N 1.08 -0.12 -4.06 0.00 5.19 -1.25 -3.48 116.42 113.79 1qnd h ASP 70 Ca -0.40 -0.25 -0.34 0.00 -0.62 0.00 0.00 57.03 55.43 1qnd h ASP 70 Cb 1.28 0.03 -0.09 0.00 0.18 0.00 0.00 39.33 40.74 1qnd h ASP 70 CO 0.64 0.47 -0.30 0.00 -3.12 0.00 0.00 179.24 176.92 1qnd n THR 72 N -0.49 0.00 -3.65 0.00 -1.04 -1.26 -2.30 114.28 105.53 1qnd n THR 72 Ca 0.05 -0.93 -0.15 0.00 -2.04 0.00 0.00 64.05 60.97 1qnd n THR 72 Cb 0.48 0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 69.25 1qnd n THR 72 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1qnd s ILE 73 N -2.16 0.02 -0.13 12.58 2.07 -0.36 -4.19 121.20 129.02 1qnd s ILE 73 Ca 0.09 -0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 1qnd s ILE 73 Cb 0.00 -0.80 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 1qnd s ILE 73 CO 0.06 -0.08 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.04 1qnd s THR 74 N -0.75 3.54 0.00 4.00 2.01 -1.26 -0.58 115.64 122.61 1qnd s THR 74 Ca -0.08 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1qnd s THR 74 Cb -0.03 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1qnd s THR 74 CO 0.05 0.53 0.00 0.23 -0.69 0.00 0.00 174.62 174.74 1qnd n MET 75 N 3.26 0.00 0.00 4.92 2.81 -1.17 -4.40 117.12 122.53 1qnd n MET 75 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1qnd n MET 75 Cb 0.53 -0.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.89 1qnd n MET 75 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qnd n ALA 76 N -2.43 -0.04 -0.33 3.04 0.00 -1.25 -4.63 120.51 114.87 1qnd n ALA 76 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1qnd n ALA 76 Cb 0.07 -0.04 0.08 0.00 0.00 0.00 0.00 19.45 19.57 1qnd n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qnd h ASP 77 N 0.00 1.13 -0.99 0.00 3.58 -1.58 0.05 116.42 118.60 1qnd h ASP 77 Ca 0.00 -0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.45 1qnd h ASP 77 Cb 0.00 -0.29 -0.08 0.00 1.72 0.00 0.00 39.33 40.68 1qnd h ASP 77 CO 0.00 0.92 0.63 0.28 -2.88 0.00 0.00 179.24 178.19 1qnd h SER 78 N 1.25 0.91 0.01 2.28 0.02 -1.86 -0.45 113.55 115.71 1qnd h SER 78 Ca 0.31 0.05 -0.28 0.00 -0.84 0.00 0.00 61.79 61.03 1qnd h SER 78 Cb 0.07 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1qnd h SER 78 CO -0.05 0.49 -1.50 -0.67 -1.14 0.00 0.00 176.83 173.96 1qnd n ASP 79 N -4.61 1.89 -0.35 3.07 -0.08 -0.94 -3.06 116.55 112.47 1qnd n ASP 79 Ca 0.19 0.39 0.02 0.00 -1.51 0.00 0.00 54.79 53.89 1qnd n ASP 79 Cb 0.36 -0.94 0.17 0.00 2.34 0.00 0.00 41.12 43.05 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1qnd h PHE 80 N -0.94 1.14 0.76 -0.67 0.04 -0.92 0.20 116.94 116.54 1qnd h PHE 80 Ca -0.41 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.35 1qnd h PHE 80 Cb 1.39 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 39.18 1qnd h PHE 80 CO 0.07 0.57 -0.37 1.25 -0.60 0.00 0.00 178.31 179.23 1qnd h LEU 81 N 1.10 -0.86 -1.45 1.54 5.85 -1.24 -3.07 115.31 117.18 1qnd h LEU 81 Ca 0.42 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.29 1qnd h LEU 81 Cb 0.20 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1qnd h LEU 81 CO -0.18 -0.52 0.50 0.00 -0.34 0.00 0.00 178.44 177.90 1qnd h ALA 82 N -1.33 1.90 -0.16 1.25 0.00 -1.40 -1.49 119.26 118.03 1qnd h ALA 82 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1qnd h ALA 82 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qnd h ALA 82 CO 0.17 -0.08 0.00 -0.11 0.00 0.00 0.00 179.25 179.23 1qnd n LEU 83 N -4.50 0.00 0.05 0.00 0.00 0.68 -1.10 117.00 112.13 1qnd n LEU 83 Ca 0.13 0.97 -0.04 0.00 0.00 0.00 0.00 56.01 57.07 1qnd n LEU 83 Cb 0.40 -0.47 0.17 0.00 0.00 0.00 0.00 43.42 43.51 1qnd n LEU 83 CO 0.32 -0.47 0.61 0.00 0.00 0.00 0.00 177.39 177.85 1qnd h MET 84 N 0.00 0.37 0.00 1.96 -0.00 -1.42 -3.07 114.93 112.77 1qnd h MET 84 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 1qnd h MET 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1qnd h MET 84 CO 0.00 0.73 0.00 2.41 -0.00 0.00 0.00 176.91 180.05 1qnd n THR 85 N -4.02 0.47 0.00 -0.10 -1.04 -0.58 -4.02 114.28 104.99 1qnd n THR 85 Ca -0.02 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1qnd n THR 85 Cb 0.50 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1qnd n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qnd n GLY 86 N 0.59 0.74 1.50 3.41 0.00 -1.00 -4.69 105.19 105.74 1qnd n GLY 86 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1qnd n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qnd n LYS 87 N 0.00 0.00 -3.89 1.61 3.00 -0.26 -4.99 118.16 113.64 1qnd n LYS 87 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1qnd n LYS 87 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 35.03 34.78 1qnd n LYS 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1qnd s MET 88 N -1.75 1.23 0.11 1.64 -1.94 -1.24 -4.99 119.30 112.36 1qnd s MET 88 Ca 0.00 -1.28 -0.17 0.00 -1.71 0.00 0.00 55.69 52.53 1qnd s MET 88 Cb 0.00 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.24 1qnd s MET 88 CO 0.00 -0.84 1.58 -0.91 -0.01 0.00 0.00 175.02 174.84 1qnd h ASN 89 N 7.90 0.55 -0.31 3.03 2.35 -1.92 -3.41 115.58 123.77 1qnd h ASN 89 Ca -0.12 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1qnd h ASN 89 Cb 1.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1qnd h ASN 89 CO 0.47 0.68 0.00 -0.81 -1.65 0.00 0.00 177.43 176.11 1qnd n PRO 90 N -4.58 1.60 -1.60 0.81 -0.04 -1.26 -4.77 135.00 125.16 1qnd n PRO 90 Ca -0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 1qnd n PRO 90 Cb 0.23 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.59 1qnd n PRO 90 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1qnd s GLN 91 N 0.56 1.33 0.41 0.54 0.74 -1.26 -4.81 119.66 117.17 1qnd s GLN 91 Ca 0.00 -0.08 0.10 0.00 0.05 0.00 0.00 55.36 55.43 1qnd s GLN 91 Cb 0.00 -4.91 0.90 0.00 1.10 0.00 0.00 33.01 30.11 1qnd s GLN 91 CO 0.00 -5.11 2.00 1.03 -0.55 0.00 0.00 175.29 172.66 1qnd h SER 92 N 12.03 0.47 0.42 6.67 0.87 -1.90 -0.09 113.55 132.03 1qnd h SER 92 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1qnd h SER 92 Cb 1.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1qnd h SER 92 CO 1.01 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 177.62 1qnd h ALA 93 N 1.69 1.00 -0.03 6.23 0.00 -1.87 -0.92 119.26 125.36 1qnd h ALA 93 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1qnd h ALA 93 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qnd h ALA 93 CO -0.07 0.00 -0.67 0.35 0.00 0.00 0.00 179.25 178.86 1qnd h PHE 94 N 0.00 0.73 0.30 0.00 3.57 -1.40 -2.10 116.94 118.04 1qnd h PHE 94 Ca 0.00 -0.38 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 1qnd h PHE 94 Cb 0.21 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1qnd h PHE 94 CO 0.00 1.19 -0.14 0.35 -2.23 0.00 0.00 178.31 177.48 1qnd h PHE 95 N 0.07 -0.37 0.00 0.41 3.57 -1.17 -1.14 116.94 118.31 1qnd h PHE 95 Ca -0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1qnd h PHE 95 Cb 1.35 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.21 1qnd h PHE 95 CO 0.13 -0.17 0.00 -0.56 -2.23 0.00 0.00 178.31 175.48 1qnd h GLN 96 N -0.49 0.00 -6.07 1.11 3.07 -1.57 -3.47 115.11 107.69 1qnd h GLN 96 Ca -0.04 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 58.25 1qnd h GLN 96 Cb 0.37 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 27.79 1qnd h GLN 96 CO 0.07 0.00 -0.67 0.41 0.09 0.00 0.00 178.83 178.73 1qnd n GLY 97 N -0.25 -0.47 0.00 0.06 0.00 -0.43 -4.94 105.19 99.16 1qnd n GLY 97 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qnd n GLY 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qnd n LYS 98 N -3.99 0.00 -2.76 1.61 4.76 -1.23 -5.00 118.16 111.55 1qnd n LYS 98 Ca 0.03 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.40 1qnd n LYS 98 Cb 0.51 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.75 1qnd n LYS 98 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1qnd n LEU 99 N 0.00 -2.92 -4.86 -0.35 -0.00 -1.26 -5.11 117.00 102.50 1qnd n LEU 99 Ca 0.00 -3.29 -0.31 0.00 -0.00 0.00 0.00 56.01 52.41 1qnd n LEU 99 Cb 0.00 0.83 -0.03 0.00 -0.00 0.00 0.00 43.42 44.21 1qnd n LEU 99 CO 0.00 1.99 0.54 -1.59 -0.00 0.00 0.00 177.39 178.33 1qnd s LYS 100 N 0.69 3.87 0.34 1.47 0.00 -1.26 -4.26 119.74 120.58 1qnd s LYS 100 Ca 0.32 0.68 0.07 0.00 0.00 0.00 0.00 55.97 57.04 1qnd s LYS 100 Cb 0.20 -2.29 -0.02 0.00 0.00 0.00 0.00 37.83 35.72 1qnd s LYS 100 CO -0.23 -0.12 0.33 0.42 0.00 0.00 0.00 175.35 175.76 1qnd s ILE 101 N -2.44 3.63 0.00 3.79 1.09 -1.26 -4.87 121.20 121.13 1qnd s ILE 101 Ca 0.55 -1.29 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1qnd s ILE 101 Cb -0.10 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 1qnd s ILE 101 CO 0.30 -0.17 0.00 0.35 -0.10 0.00 0.00 174.94 175.33 1qnd n THR 102 N -1.44 0.00 0.00 2.92 -2.24 -1.26 -4.78 114.28 107.48 1qnd n THR 102 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1qnd n THR 102 Cb 0.59 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 103 N 5.00 1.26 2.18 3.38 0.00 -1.26 -4.11 105.19 111.64 1qnd n GLY 103 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1qnd n GLY 103 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 104 N 0.00 -9.18 -4.50 1.61 5.15 -1.26 -4.82 115.26 102.25 1qnd n ASN 104 Ca 0.00 1.57 -0.44 0.00 -0.60 0.00 0.00 54.58 55.11 1qnd n ASN 104 Cb 0.00 -5.11 -0.07 0.00 -0.53 0.00 0.00 39.78 34.07 1qnd n ASN 104 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1qnd n MET 105 N 1.87 0.97 -3.57 1.20 2.81 -1.26 -3.59 117.12 115.54 1qnd n MET 105 Ca 0.00 0.17 -0.24 0.00 -1.81 0.00 0.00 57.70 55.82 1qnd n MET 105 Cb 0.00 -2.69 0.03 0.00 -0.71 0.00 0.00 33.22 29.85 1qnd n MET 105 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qnd n GLY 106 N 6.30 -1.11 0.00 3.03 0.00 -1.26 -4.88 105.19 107.27 1qnd n GLY 106 Ca 0.43 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.99 1qnd n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qnd n LEU 107 N -3.43 0.00 0.00 0.99 -0.00 -1.24 -4.31 117.00 109.02 1qnd n LEU 107 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1qnd n LEU 107 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1qnd n LEU 107 CO 0.64 0.00 0.20 0.00 -0.00 0.00 0.00 177.39 178.23 1qnd n ALA 108 N -0.80 -0.03 1.79 1.47 0.00 -1.26 -4.24 120.51 117.44 1qnd n ALA 108 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1qnd n ALA 108 Cb 0.04 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.12 1qnd n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qnd n MET 109 N -0.64 1.22 0.00 0.00 0.00 -1.26 -4.16 117.12 112.28 1qnd n MET 109 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 57.70 57.47 1qnd n MET 109 Cb 0.00 -1.40 0.49 0.00 0.00 0.00 0.00 33.22 32.31 1qnd n MET 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1qnd n LYS 110 N -0.52 0.15 -3.44 3.17 0.00 -1.26 -4.78 118.16 111.47 1qnd n LYS 110 Ca 0.18 0.11 -0.20 0.00 0.00 0.00 0.00 58.31 58.40 1qnd n LYS 110 Cb 0.17 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.68 1qnd n LYS 110 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qnd n LEU 111 N -1.39 0.00 0.00 3.14 -0.00 -1.26 -5.11 117.00 112.38 1qnd n LEU 111 Ca 0.08 -2.10 -0.01 0.00 -0.00 0.00 0.00 56.01 53.97 1qnd n LEU 111 Cb 0.21 0.09 -0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1qnd n LEU 111 CO 0.18 -0.42 -0.05 0.00 -0.00 0.00 0.00 177.39 177.10 1qnd n GLN 112 N -1.19 0.04 0.00 1.47 3.00 -1.26 -5.01 117.38 114.42 1qnd n GLN 112 Ca -0.07 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1qnd n GLN 112 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 30.24 30.38 1qnd n GLN 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1qnd n ASN 113 N -2.87 0.00 0.00 1.08 4.13 -1.26 -4.80 115.26 111.54 1qnd n ASN 113 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1qnd n ASN 113 Cb 0.04 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1qnd n LEU 114 N 0.00 0.00 -3.16 3.41 7.94 -1.26 -4.13 117.00 119.80 1qnd n LEU 114 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1qnd n LEU 114 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1qnd n LEU 114 CO 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 177.39 176.12 1qnd n GLN 115 N 0.00 1.42 -0.43 1.96 10.64 -1.26 -4.03 117.38 125.68 1qnd n GLN 115 Ca 0.00 -3.70 0.06 0.00 -1.83 0.00 0.00 57.00 51.53 1qnd n GLN 115 Cb 0.00 -1.73 -0.01 0.00 -0.86 0.00 0.00 30.24 27.63 1qnd n GLN 115 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1qnd n LEU 116 N 0.47 0.00 -3.83 2.61 -0.00 -1.26 -4.72 117.00 110.28 1qnd n LEU 116 Ca 0.26 0.47 -0.08 0.00 -0.00 0.00 0.00 56.01 56.65 1qnd n LEU 116 Cb 0.57 -1.44 0.01 0.00 -0.00 0.00 0.00 43.42 42.56 1qnd n LEU 116 CO 0.24 -1.22 0.51 -1.10 -0.00 0.00 0.00 177.39 175.82 1qnd s GLN 117 N -0.91 2.05 0.96 1.47 -0.21 -1.26 -4.68 119.66 117.08 1qnd s GLN 117 Ca 0.00 -1.26 -0.15 0.00 0.02 0.00 0.00 55.36 53.97 1qnd s GLN 117 Cb 0.00 0.62 0.18 0.00 1.00 0.00 0.00 33.01 34.80 1qnd s GLN 117 CO 0.00 -0.95 1.23 -1.25 -2.12 0.00 0.00 175.29 172.20 1qnd s PRO 118 N -2.94 0.73 0.00 2.91 0.04 -1.26 -4.85 135.00 129.63 1qnd s PRO 118 Ca 0.14 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1qnd s PRO 118 Cb -0.05 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1qnd s PRO 118 CO 0.10 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1qnd n GLY 119 N -3.00 -1.62 2.49 0.56 0.00 -1.26 -5.06 105.19 97.30 1qnd n GLY 119 Ca 0.12 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 1qnd n GLY 119 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qnd s ASN 120 N 0.36 0.96 0.92 1.61 0.01 -1.26 -5.12 114.94 112.42 1qnd s ASN 120 Ca 0.00 -2.64 -0.11 0.00 -0.71 0.00 0.00 52.86 49.40 1qnd s ASN 120 Cb 0.00 0.08 0.15 0.00 0.41 0.00 0.00 41.25 41.89 1qnd s ASN 120 CO 0.00 -0.16 1.10 0.00 -1.51 0.00 0.00 177.10 176.52 1qnd s ALA 121 N 0.39 1.32 -0.24 0.60 0.00 -1.26 -5.07 121.76 117.51 1qnd s ALA 121 Ca 0.30 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1qnd s ALA 121 Cb -0.00 -3.30 0.09 0.00 0.00 0.00 0.00 23.12 19.90 1qnd s ALA 121 CO -0.14 -2.62 0.13 0.21 0.00 0.00 0.00 175.76 173.34 1qnd s LYS 122 N -4.76 0.15 0.00 0.00 2.36 -1.26 -5.27 119.74 110.97 1qnd s LYS 122 Ca 0.65 -0.27 0.00 0.00 -2.55 0.00 0.00 55.97 53.80 1qnd s LYS 122 Cb -0.21 -1.38 0.00 0.00 -1.05 0.00 0.00 37.83 35.19 1qnd s LYS 122 CO 0.58 -0.86 0.00 -0.11 1.55 0.00 0.00 175.35 176.52