#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 -1.92 0.00 6.43 7.64 -1.26 -4.16 113.62 120.34 1qnd n SER 2 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1qnd n SER 2 Cb 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qnd n ALA 3 N -4.68 0.00 -1.00 -0.43 0.00 -1.26 -4.91 120.51 108.24 1qnd n ALA 3 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1qnd n ALA 3 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1qnd n ALA 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qnd n SER 4 N 0.00 0.00 -1.75 0.00 7.64 -1.26 -4.85 113.62 113.40 1qnd n SER 4 Ca 0.00 0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.88 1qnd n SER 4 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1qnd n SER 4 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1qnd n ASP 5 N -0.26 -2.31 -0.74 6.43 5.75 -1.26 -4.75 116.55 119.42 1qnd n ASP 5 Ca 0.00 0.24 0.06 0.00 -0.01 0.00 0.00 54.79 55.08 1qnd n ASP 5 Cb 0.00 -2.21 0.18 0.00 -1.03 0.00 0.00 41.12 38.06 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qnd n GLY 6 N -0.37 2.77 3.85 6.12 0.00 -1.26 -4.91 105.19 111.39 1qnd n GLY 6 Ca -0.08 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.05 2.51 0.61 1.61 0.40 -1.26 -4.91 117.98 115.89 1qnd s PHE 7 Ca 0.27 0.72 0.32 0.00 -0.60 0.00 0.00 56.93 57.64 1qnd s PHE 7 Cb 0.14 -3.54 1.83 0.00 0.51 0.00 0.00 43.02 41.96 1qnd s PHE 7 CO 0.18 -2.20 2.15 0.87 0.70 0.00 0.00 175.22 176.92 1qnd h LYS 8 N -1.36 0.00 -0.01 0.44 1.57 -1.97 -1.25 116.57 113.99 1qnd h LYS 8 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1qnd h LYS 8 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1qnd h LYS 8 CO 0.60 0.00 0.09 0.00 -0.57 0.00 0.00 179.45 179.57 1qnd h ALA 9 N 1.78 1.15 0.00 3.86 0.00 -1.94 -2.30 119.26 121.82 1qnd h ALA 9 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qnd h ALA 9 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qnd h ALA 9 CO -0.00 -0.10 0.00 -0.97 0.00 0.00 0.00 179.25 178.18 1qnd h ASN 10 N 0.00 0.00 0.08 0.00 -0.73 -1.57 -0.56 115.58 112.80 1qnd h ASN 10 Ca 0.01 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1qnd h ASN 10 Cb 0.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.78 1qnd h ASN 10 CO -0.00 0.00 -0.04 -0.07 -0.37 0.00 0.00 177.43 176.95 1qnd h LEU 11 N 0.00 -0.09 0.67 0.34 -0.00 -1.60 -3.37 115.31 111.25 1qnd h LEU 11 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1qnd h LEU 11 Cb 0.63 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1qnd h LEU 11 CO 0.00 0.22 -0.34 0.58 -0.00 0.00 0.00 178.44 178.90 1qnd h VAL 12 N -0.69 0.31 0.00 1.22 2.07 -1.50 -2.61 116.25 115.05 1qnd h VAL 12 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1qnd h VAL 12 Cb 0.09 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1qnd h VAL 12 CO 0.02 0.00 -0.07 -0.26 0.02 0.00 0.00 177.57 177.28 1qnd h PHE 13 N -0.92 0.00 -0.23 1.57 0.04 -1.37 -1.62 116.94 114.41 1qnd h PHE 13 Ca -0.09 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1qnd h PHE 13 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1qnd h PHE 13 CO -0.04 0.07 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.27 1qnd h LYS 14 N 0.00 0.42 -0.45 1.51 3.64 -1.63 -1.27 116.57 118.80 1qnd h LYS 14 Ca -0.00 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1qnd h LYS 14 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1qnd h LYS 14 CO 0.01 0.65 0.30 0.93 -2.27 0.00 0.00 179.45 179.06 1qnd h GLU 15 N 0.38 0.49 -0.08 1.90 4.39 -1.11 0.50 114.58 121.05 1qnd h GLU 15 Ca 0.06 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1qnd h GLU 15 Cb 0.64 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1qnd h GLU 15 CO 0.05 0.32 -0.21 0.82 -1.16 0.00 0.00 179.01 178.83 1qnd h ILE 16 N 0.50 1.42 -0.26 3.13 2.04 -1.48 -2.94 117.51 119.92 1qnd h ILE 16 Ca 0.18 -1.56 0.05 0.00 1.00 0.00 0.00 64.86 64.53 1qnd h ILE 16 Cb 0.10 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1qnd h ILE 16 CO -0.04 0.44 -0.02 -0.08 0.00 0.00 0.00 178.15 178.45 1qnd h GLU 17 N -0.21 0.05 -0.94 2.37 4.81 -0.59 -1.46 114.58 118.61 1qnd h GLU 17 Ca -0.00 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1qnd h GLU 17 Cb 0.82 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1qnd h GLU 17 CO 0.05 0.03 0.62 1.57 -0.73 0.00 0.00 179.01 180.55 1qnd h LYS 18 N 0.05 1.20 -0.35 1.92 5.09 -0.06 0.14 116.57 124.56 1qnd h LYS 18 Ca 0.12 -0.07 -0.16 0.00 0.09 0.00 0.00 60.65 60.63 1qnd h LYS 18 Cb 0.17 -0.27 -0.01 0.00 0.10 0.00 0.00 32.23 32.23 1qnd h LYS 18 CO -0.23 0.79 -0.42 -0.22 -2.09 0.00 0.00 179.45 177.28 1qnd h LYS 19 N 1.24 0.88 -0.74 0.07 1.63 -1.32 -0.00 116.57 118.32 1qnd h LYS 19 Ca 0.36 -0.48 0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1qnd h LYS 19 Cb -0.08 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.51 1qnd h LYS 19 CO -0.09 1.13 0.43 -0.07 -3.45 0.00 0.00 179.45 177.40 1qnd h LEU 20 N 0.71 0.65 0.17 5.20 3.38 0.02 0.15 115.31 125.57 1qnd h LEU 20 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1qnd h LEU 20 Cb 1.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1qnd h LEU 20 CO 0.10 0.41 -0.08 -0.33 0.09 0.00 0.00 178.44 178.63 1qnd h GLU 21 N 0.78 -0.21 -0.42 1.13 4.39 -0.70 0.27 114.58 119.81 1qnd h GLU 21 Ca 0.33 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.07 1qnd h GLU 21 Cb 0.21 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1qnd h GLU 21 CO -0.19 0.01 0.24 0.93 -1.16 0.00 0.00 179.01 178.84 1qnd h GLU 22 N -0.41 0.47 0.00 2.33 5.08 -0.79 -3.42 114.58 117.85 1qnd h GLU 22 Ca -0.02 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1qnd h GLU 22 Cb 0.32 -0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.33 1qnd h GLU 22 CO 0.04 0.31 -0.26 -1.91 -1.00 0.00 0.00 179.01 176.18 1qnd n GLU 23 N -4.87 0.66 0.25 2.33 2.13 0.49 -5.01 120.64 116.63 1qnd n GLU 23 Ca 0.02 -1.45 0.15 0.00 0.66 0.00 0.00 57.16 56.54 1qnd n GLU 23 Cb 0.07 -0.76 0.48 0.00 0.27 0.00 0.00 31.44 31.50 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 2.88 0.00 0.12 8.31 0.00 -0.42 -3.34 103.07 110.62 1qnd h GLY 24 Ca -0.18 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.39 1qnd h GLY 24 CO 0.09 0.00 0.65 1.05 0.00 0.00 0.00 176.54 178.33 1qnd h GLU 25 N 0.00 0.27 0.06 4.80 4.11 -1.75 0.18 114.58 122.24 1qnd h GLU 25 Ca -0.00 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.08 1qnd h GLU 25 Cb 0.71 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1qnd h GLU 25 CO 0.00 0.18 -1.95 0.94 0.07 0.00 0.00 179.01 178.25 1qnd n GLN 26 N -4.46 0.70 -0.08 1.06 0.00 -1.25 -2.82 117.38 110.52 1qnd n GLN 26 Ca 0.21 0.25 0.06 0.00 -0.00 0.00 0.00 57.00 57.52 1qnd n GLN 26 Cb 0.85 -1.72 0.41 0.00 0.00 0.00 0.00 30.24 29.78 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 0.03 0.59 0.60 3.69 -1.00 -1.36 -0.92 116.94 118.57 1qnd h PHE 27 Ca -0.39 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.38 1qnd h PHE 27 Cb 2.03 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 41.39 1qnd h PHE 27 CO 0.04 0.34 -0.38 0.28 -1.61 0.00 0.00 178.31 176.97 1qnd h VAL 28 N 0.61 0.00 0.00 -0.55 2.07 -0.77 -2.88 116.25 114.73 1qnd h VAL 28 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1qnd h VAL 28 Cb 0.16 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1qnd h VAL 28 CO -0.06 0.00 -0.00 0.07 0.02 0.00 0.00 177.57 177.60 1qnd h LYS 29 N -0.92 0.00 0.15 1.57 5.09 -1.18 0.12 116.57 121.40 1qnd h LYS 29 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.65 1qnd h LYS 29 Cb 0.75 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.08 1qnd h LYS 29 CO 0.07 0.00 -0.07 0.87 -2.09 0.00 0.00 179.45 178.23 1qnd h LYS 30 N 0.00 -0.20 0.02 0.07 1.57 -1.18 -3.43 116.57 113.42 1qnd h LYS 30 Ca -0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1qnd h LYS 30 Cb 0.04 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1qnd h LYS 30 CO 0.00 -0.13 -0.01 0.82 -0.57 0.00 0.00 179.45 179.56 1qnd h ILE 31 N -0.31 0.00 -4.72 1.86 5.03 -1.12 -3.48 117.51 114.77 1qnd h ILE 31 Ca -0.02 -0.93 -0.19 0.00 -0.12 0.00 0.00 64.86 63.60 1qnd h ILE 31 Cb 0.16 0.00 0.14 0.00 -3.03 0.00 0.00 36.82 34.09 1qnd h ILE 31 CO 0.03 0.00 -0.60 0.61 -0.68 0.00 0.00 178.15 177.51 1qnd n GLY 32 N 1.72 -0.48 3.85 5.37 0.00 0.35 -4.97 105.19 111.02 1qnd n GLY 32 Ca -0.00 0.26 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1qnd n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qnd s GLY 33 N -3.41 -0.06 -0.12 -0.02 0.00 -0.59 -4.86 107.32 98.26 1qnd s GLY 33 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.87 1qnd s GLY 33 CO 0.53 2.42 0.10 -0.42 0.00 0.00 0.00 173.10 175.72 1qnd s ILE 34 N -2.34 5.12 0.09 0.90 1.01 -1.26 -1.21 121.20 123.51 1qnd s ILE 34 Ca 0.21 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1qnd s ILE 34 Cb -0.01 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1qnd s ILE 34 CO 0.02 0.59 -0.07 0.72 0.00 0.00 0.00 174.94 176.20 1qnd s PHE 35 N -0.74 0.84 0.37 3.97 -0.12 -0.74 -1.19 117.98 120.38 1qnd s PHE 35 Ca 0.13 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.26 1qnd s PHE 35 Cb -0.12 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 1qnd s PHE 35 CO 0.03 -0.14 0.32 0.00 -0.05 0.00 0.00 175.22 175.38 1qnd s ALA 36 N -3.14 3.92 -0.26 1.99 0.00 -0.61 -1.02 121.76 122.63 1qnd s ALA 36 Ca 0.07 -1.76 -0.00 0.00 0.00 0.00 0.00 51.96 50.26 1qnd s ALA 36 Cb 0.02 -1.08 0.08 0.00 0.00 0.00 0.00 23.12 22.14 1qnd s ALA 36 CO -0.04 -0.09 0.03 -0.06 0.00 0.00 0.00 175.76 175.60 1qnd s PHE 37 N -2.38 1.93 -0.12 0.00 0.08 -0.89 -3.11 117.98 113.48 1qnd s PHE 37 Ca 0.44 -1.63 -0.29 0.00 0.12 0.00 0.00 56.93 55.56 1qnd s PHE 37 Cb -0.04 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1qnd s PHE 37 CO 0.27 -0.78 1.29 0.21 -0.10 0.00 0.00 175.22 176.10 1qnd s LYS 38 N 1.55 4.26 -0.26 0.44 2.20 -1.12 -3.63 119.74 123.18 1qnd s LYS 38 Ca 0.02 1.72 0.02 0.00 -0.36 0.00 0.00 55.97 57.38 1qnd s LYS 38 Cb -0.18 -3.72 0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1qnd s LYS 38 CO -0.13 -0.65 -0.10 0.08 -0.36 0.00 0.00 175.35 174.19 1qnd s VAL 39 N 3.17 2.28 0.48 4.02 1.01 -0.83 -3.48 120.40 127.05 1qnd s VAL 39 Ca 0.57 -1.55 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1qnd s VAL 39 Cb -0.24 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1qnd s VAL 39 CO 0.18 -0.00 0.21 -1.59 0.00 0.00 0.00 175.10 173.90 1qnd s LYS 40 N 1.14 2.23 -1.86 2.72 -2.85 -1.26 -1.38 119.74 118.47 1qnd s LYS 40 Ca -0.08 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 52.86 1qnd s LYS 40 Cb -0.19 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1qnd s LYS 40 CO -0.05 -0.34 0.00 -3.47 0.10 0.00 0.00 175.35 171.59 1qnd n ASP 41 N -1.42 -5.44 -3.24 0.03 2.03 -1.18 -0.53 116.55 106.80 1qnd n ASP 41 Ca -0.06 0.24 -0.21 0.00 0.52 0.00 0.00 54.79 55.29 1qnd n ASP 41 Cb 0.65 -4.57 0.17 0.00 -0.72 0.00 0.00 41.12 36.65 1qnd n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qnd n GLY 42 N -0.80 -2.54 2.00 0.27 0.00 -1.25 -4.56 105.19 98.31 1qnd n GLY 42 Ca -0.21 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1qnd n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qnd n PRO 43 N -3.73 0.62 0.00 1.61 -0.04 -1.26 -2.11 135.00 130.08 1qnd n PRO 43 Ca 0.11 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1qnd n PRO 43 Cb 0.41 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.21 0.02 1.58 0.55 0.00 -1.26 -5.05 105.19 103.24 1qnd n GLY 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 1.39 1.16 -0.02 0.00 -0.90 -5.03 105.19 101.80 1qnd n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 -1.81 -4.32 1.61 4.76 -1.26 -4.70 118.16 110.44 1qnd n LYS 46 Ca 0.00 -0.58 -0.18 0.00 -2.87 0.00 0.00 58.31 54.68 1qnd n LYS 46 Cb 0.00 -0.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.53 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1qnd s GLU 47 N -3.82 1.26 0.47 1.97 1.03 -1.26 -3.11 118.70 115.23 1qnd s GLU 47 Ca 0.24 -1.51 0.04 0.00 0.03 0.00 0.00 54.97 53.76 1qnd s GLU 47 Cb -0.02 -1.07 -0.04 0.00 -0.80 0.00 0.00 34.13 32.19 1qnd s GLU 47 CO 0.18 0.18 0.01 0.00 -1.33 0.00 0.00 175.26 174.30 1qnd s ALA 48 N -2.79 3.70 0.00 -0.84 0.00 -0.48 -4.52 121.76 116.84 1qnd s ALA 48 Ca 0.19 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 1qnd s ALA 48 Cb -0.02 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1qnd s ALA 48 CO 0.06 -0.07 0.17 0.99 0.00 0.00 0.00 175.76 176.91 1qnd s THR 49 N -2.80 0.08 0.17 0.00 2.01 -1.26 -1.97 115.64 111.87 1qnd s THR 49 Ca 0.19 -0.68 0.11 0.00 0.31 0.00 0.00 61.69 61.61 1qnd s THR 49 Cb 0.05 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1qnd s THR 49 CO 0.10 -0.38 -0.22 0.26 -0.69 0.00 0.00 174.62 173.69 1qnd s TRP 50 N -1.50 2.38 -0.08 4.92 0.51 -1.24 -3.71 118.94 120.22 1qnd s TRP 50 Ca -0.14 -0.33 0.03 0.00 -2.12 0.00 0.00 56.10 53.54 1qnd s TRP 50 Cb -0.07 -1.21 -0.02 0.00 -0.81 0.00 0.00 33.47 31.37 1qnd s TRP 50 CO 0.02 0.46 -0.17 0.08 -0.51 0.00 0.00 176.95 176.83 1qnd s VAL 51 N -1.50 2.80 -0.19 4.03 1.01 -1.04 -2.10 120.40 123.40 1qnd s VAL 51 Ca 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1qnd s VAL 51 Cb -0.09 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1qnd s VAL 51 CO 0.10 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.93 1qnd s VAL 52 N -0.20 2.61 -0.32 2.92 1.01 -0.19 -0.39 120.40 125.84 1qnd s VAL 52 Ca -0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1qnd s VAL 52 Cb -0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1qnd s VAL 52 CO 0.03 0.49 0.62 -0.62 0.00 0.00 0.00 175.10 175.63 1qnd s ASP 53 N 1.29 6.47 -0.41 3.32 -1.08 -0.71 -1.79 116.67 123.76 1qnd s ASP 53 Ca 0.04 0.34 0.11 0.00 -0.52 0.00 0.00 52.55 52.52 1qnd s ASP 53 Cb -0.14 -2.33 0.41 0.00 -1.46 0.00 0.00 42.92 39.41 1qnd s ASP 53 CO -0.08 -0.50 0.98 1.33 0.52 0.00 0.00 175.17 177.42 1qnd n VAL 54 N 5.44 1.62 0.00 1.11 0.24 -0.35 -1.72 118.33 124.66 1qnd n VAL 54 Ca -0.01 -4.30 0.00 0.00 -2.04 0.00 0.00 64.34 57.99 1qnd n VAL 54 Cb 0.49 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.19 0.00 -3.34 7.34 0.00 -1.22 -1.55 118.16 119.20 1qnd n LYS 55 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 58.18 1qnd n LYS 55 Cb 0.68 -0.02 -0.06 0.00 0.00 0.00 0.00 35.03 35.63 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 -4.12 6.97 1.08 3.14 0.01 -1.26 -4.82 114.94 115.94 1qnd s ASN 56 Ca 0.00 1.15 0.00 0.00 -0.71 0.00 0.00 52.86 53.30 1qnd s ASN 56 Cb 0.00 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1qnd s ASN 56 CO 0.00 0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.48 1qnd n GLY 57 N 1.83 2.91 0.61 0.66 0.00 -1.26 -0.67 105.19 109.26 1qnd n GLY 57 Ca -0.11 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 14.00 1.78 0.00 1.61 5.02 -1.26 -4.96 118.16 134.35 1qnd n LYS 58 Ca 0.00 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 1qnd n LYS 58 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.11 -1.62 3.62 0.72 0.00 0.15 -2.60 105.19 106.58 1qnd n GLY 59 Ca 0.15 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.00 -0.27 0.65 1.61 0.01 -0.70 -4.87 113.70 107.11 1qnd s SER 60 Ca 0.00 0.41 -0.13 0.00 1.31 0.00 0.00 55.95 57.54 1qnd s SER 60 Cb 0.00 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 1qnd s SER 60 CO 0.00 -0.18 1.06 -0.69 0.41 0.00 0.00 173.24 173.84 1qnd s VAL 61 N -0.54 3.89 -0.46 3.43 1.01 -1.26 -1.74 120.40 124.73 1qnd s VAL 61 Ca 0.03 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1qnd s VAL 61 Cb -0.03 -3.37 0.17 0.00 0.00 0.00 0.00 36.38 33.15 1qnd s VAL 61 CO -0.05 -0.66 0.36 -0.76 0.00 0.00 0.00 175.10 173.99 1qnd s LEU 62 N -5.01 2.01 0.48 3.92 1.43 0.47 -4.86 118.68 117.12 1qnd s LEU 62 Ca 0.61 -3.17 -0.23 0.00 -1.03 0.00 0.00 54.13 50.31 1qnd s LEU 62 Cb -0.15 -0.65 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 1qnd s LEU 62 CO 0.46 -0.16 1.30 -2.16 0.23 0.00 0.00 176.35 176.01 1qnd s PRO 63 N -0.17 3.55 -1.33 1.29 0.04 -1.26 -2.51 135.00 134.62 1qnd s PRO 63 Ca 0.31 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1qnd s PRO 63 Cb 0.01 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1qnd s PRO 63 CO -0.18 -0.82 0.00 0.09 0.04 0.00 0.00 177.00 176.13 1qnd n ASN 64 N -0.53 -3.82 -4.82 6.66 3.02 -1.24 -4.91 115.26 109.62 1qnd n ASN 64 Ca 0.07 0.27 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 1qnd n ASN 64 Cb 0.45 -3.42 -0.06 0.00 -0.61 0.00 0.00 39.78 36.14 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qnd s SER 65 N -2.10 7.00 0.52 6.41 0.15 -1.17 -4.90 113.70 119.61 1qnd s SER 65 Ca 0.00 1.20 0.30 0.00 0.70 0.00 0.00 55.95 58.15 1qnd s SER 65 Cb 0.00 -2.34 1.38 0.00 -1.71 0.00 0.00 66.02 63.35 1qnd s SER 65 CO 0.00 0.27 2.01 -0.78 1.20 0.00 0.00 173.24 175.93 1qnd h ASP 66 N 4.46 0.00 -2.55 5.45 1.82 -1.91 -3.45 116.42 120.23 1qnd h ASP 66 Ca -0.50 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.60 1qnd h ASP 66 Cb 1.21 0.00 0.06 0.00 0.68 0.00 0.00 39.33 41.28 1qnd h ASP 66 CO 0.63 0.10 0.93 1.17 -1.61 0.00 0.00 179.24 180.46 1qnd n LYS 67 N -3.35 2.55 -0.19 0.28 4.81 -1.26 -4.97 118.16 116.04 1qnd n LYS 67 Ca -0.01 0.92 -0.20 0.00 -0.87 0.00 0.00 58.31 58.15 1qnd n LYS 67 Cb 0.29 -2.74 0.20 0.00 0.02 0.00 0.00 35.03 32.80 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1qnd n LYS 68 N 3.67 -3.84 -4.31 1.64 2.85 -1.26 -4.94 118.16 111.97 1qnd n LYS 68 Ca 0.16 -0.99 -0.17 0.00 -1.05 0.00 0.00 58.31 56.25 1qnd n LYS 68 Cb 0.33 -1.26 -0.09 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.15 1.81 -0.08 0.58 0.00 -1.26 -4.92 121.76 115.74 1qnd s ALA 69 Ca 0.45 -1.78 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 1qnd s ALA 69 Cb -0.08 1.18 -0.23 0.00 0.00 0.00 0.00 23.12 23.99 1qnd s ALA 69 CO 0.37 -0.52 1.00 -0.44 0.00 0.00 0.00 175.76 176.18 1qnd h ASP 70 N 2.30 0.08 -4.14 0.00 5.19 -1.53 -3.49 116.42 114.82 1qnd h ASP 70 Ca -0.34 -0.77 -0.32 0.00 -0.62 0.00 0.00 57.03 54.97 1qnd h ASP 70 Cb 1.25 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 1qnd h ASP 70 CO 0.53 0.84 -0.22 0.00 -3.12 0.00 0.00 179.24 177.27 1qnd n THR 72 N -0.58 0.00 -4.02 0.00 -1.04 -1.25 -1.57 114.28 105.82 1qnd n THR 72 Ca 0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.93 1qnd n THR 72 Cb 0.58 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.04 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 -1.07 0.00 -0.13 12.58 2.07 -1.18 -4.03 121.20 129.43 1qnd s ILE 73 Ca 0.00 -1.47 0.02 0.00 -1.41 0.00 0.00 60.65 57.79 1qnd s ILE 73 Cb 0.00 -2.38 0.01 0.00 0.13 0.00 0.00 42.46 40.22 1qnd s ILE 73 CO 0.00 0.00 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.95 1qnd s THR 74 N -3.67 1.81 -0.19 4.00 2.01 -1.26 -2.79 115.64 115.55 1qnd s THR 74 Ca 0.25 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1qnd s THR 74 Cb -0.00 -1.63 0.09 0.00 0.01 0.00 0.00 72.50 70.96 1qnd s THR 74 CO 0.12 0.50 0.41 -0.04 -0.69 0.00 0.00 174.62 174.92 1qnd s MET 75 N 1.00 0.31 1.03 4.92 -1.94 -1.23 -4.56 119.30 118.84 1qnd s MET 75 Ca -0.04 1.00 -0.13 0.00 -1.71 0.00 0.00 55.69 54.80 1qnd s MET 75 Cb -0.15 0.28 0.14 0.00 2.01 0.00 0.00 34.83 37.11 1qnd s MET 75 CO -0.04 -0.25 0.66 0.00 -0.01 0.00 0.00 175.02 175.39 1qnd n ALA 76 N 5.30 -2.53 0.22 3.03 0.00 -1.26 -4.09 120.51 121.18 1qnd n ALA 76 Ca -0.09 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.32 1qnd n ALA 76 Cb 0.50 -1.89 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.02 -0.54 0.00 0.00 1.82 -1.07 0.40 116.42 115.00 1qnd h ASP 77 Ca -0.50 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1qnd h ASP 77 Cb 1.31 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1qnd h ASP 77 CO 0.40 -0.35 0.00 -1.20 -1.61 0.00 0.00 179.24 176.48 1qnd n SER 78 N -5.35 0.00 -0.08 2.28 7.64 -1.26 -0.67 113.62 116.18 1qnd n SER 78 Ca -0.10 -0.43 -0.07 0.00 1.01 0.00 0.00 58.87 59.28 1qnd n SER 78 Cb 0.25 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1qnd n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qnd n ASP 79 N -0.94 1.74 -0.33 6.43 2.03 -0.57 -4.20 116.55 120.71 1qnd n ASP 79 Ca 0.08 0.39 0.03 0.00 0.52 0.00 0.00 54.79 55.82 1qnd n ASP 79 Cb 0.04 -0.76 0.18 0.00 -0.72 0.00 0.00 41.12 39.86 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1qnd h PHE 80 N -0.92 1.05 -0.12 -0.67 0.04 -0.30 -1.84 116.94 114.19 1qnd h PHE 80 Ca 0.00 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 1qnd h PHE 80 Cb 0.78 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1qnd h PHE 80 CO -0.33 0.49 -0.38 -0.07 -0.60 0.00 0.00 178.31 177.42 1qnd h LEU 81 N 0.99 0.55 -1.11 1.54 -0.00 -1.15 -3.23 115.31 112.91 1qnd h LEU 81 Ca 0.42 -0.60 -0.08 0.00 -0.00 0.00 0.00 57.88 57.62 1qnd h LEU 81 Cb 0.28 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1qnd h LEU 81 CO -0.21 1.05 -0.39 0.00 -0.00 0.00 0.00 178.44 178.89 1qnd h ALA 82 N 0.51 1.13 -2.47 1.53 0.00 -1.68 -3.34 119.26 114.94 1qnd h ALA 82 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qnd h ALA 82 Cb 1.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1qnd h ALA 82 CO 0.08 0.49 0.00 -0.11 0.00 0.00 0.00 179.25 179.71 1qnd n LEU 83 N -3.75 0.00 -2.24 0.00 7.94 -0.71 -1.00 117.00 117.24 1qnd n LEU 83 Ca -0.01 0.59 -0.14 0.00 -1.11 0.00 0.00 56.01 55.34 1qnd n LEU 83 Cb 0.47 -0.09 -0.13 0.00 0.53 0.00 0.00 43.42 44.20 1qnd n LEU 83 CO 0.38 -0.09 1.70 1.15 -1.11 0.00 0.00 177.39 179.42 1qnd n MET 84 N -0.93 1.94 -0.23 1.96 0.00 -1.25 -2.63 117.12 115.98 1qnd n MET 84 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 57.70 56.68 1qnd n MET 84 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.18 1qnd n MET 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1qnd n THR 85 N 2.75 0.00 -0.75 3.17 -2.24 -1.21 -4.75 114.28 111.24 1qnd n THR 85 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 1qnd n THR 85 Cb 0.71 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1qnd n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 86 N 0.00 0.33 0.08 3.38 0.00 -1.08 -4.83 105.19 103.07 1qnd n GLY 86 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1qnd n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qnd h LYS 87 N 0.95 0.10 -5.57 1.61 3.11 -1.46 -3.45 116.57 111.87 1qnd h LYS 87 Ca 0.00 -0.18 -0.63 0.00 -2.81 0.00 0.00 60.65 57.03 1qnd h LYS 87 Cb 0.13 0.07 -0.09 0.00 -1.00 0.00 0.00 32.23 31.33 1qnd h LYS 87 CO 0.00 1.03 -0.41 -1.64 -2.81 0.00 0.00 179.45 175.62 1qnd s MET 88 N -2.68 2.23 0.17 1.90 -1.94 -0.17 -4.96 119.30 113.85 1qnd s MET 88 Ca -0.02 -2.20 0.01 0.00 -1.71 0.00 0.00 55.69 51.77 1qnd s MET 88 Cb 0.09 -1.82 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 1qnd s MET 88 CO 0.84 -0.48 0.34 0.54 -0.01 0.00 0.00 175.02 176.25 1qnd s ASN 89 N -4.07 6.37 0.96 3.03 4.22 -1.26 -4.68 114.94 119.50 1qnd s ASN 89 Ca 0.20 0.30 -0.12 0.00 -2.14 0.00 0.00 52.86 51.11 1qnd s ASN 89 Cb -0.00 -1.97 0.17 0.00 1.28 0.00 0.00 41.25 40.73 1qnd s ASN 89 CO 0.12 0.01 1.09 -2.16 -2.04 0.00 0.00 177.10 174.12 1qnd s PRO 90 N -3.24 0.75 -1.03 3.55 0.04 -1.26 -3.66 135.00 130.16 1qnd s PRO 90 Ca 0.37 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.08 1qnd s PRO 90 Cb -0.11 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1qnd s PRO 90 CO 0.29 -2.59 0.75 1.04 0.04 0.00 0.00 177.00 176.53 1qnd n GLN 91 N -4.12 -1.28 -0.03 4.56 1.13 -1.26 -4.92 117.38 111.46 1qnd n GLN 91 Ca 0.06 0.66 -0.14 0.00 -1.94 0.00 0.00 57.00 55.65 1qnd n GLN 91 Cb 0.55 -4.08 -0.10 0.00 0.11 0.00 0.00 30.24 26.72 1qnd n GLN 91 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1qnd h SER 92 N -1.29 0.12 -0.99 1.08 0.02 -1.95 -2.59 113.55 107.96 1qnd h SER 92 Ca -0.56 -0.60 0.26 0.00 -0.84 0.00 0.00 61.79 60.04 1qnd h SER 92 Cb 1.31 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.75 1qnd h SER 92 CO 0.44 0.70 0.67 0.00 -1.14 0.00 0.00 176.83 177.50 1qnd h ALA 93 N 0.42 2.46 0.25 3.77 0.00 -1.92 0.19 119.26 124.43 1qnd h ALA 93 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qnd h ALA 93 Cb 0.69 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qnd h ALA 93 CO 0.02 -0.79 -0.12 0.35 0.00 0.00 0.00 179.25 178.71 1qnd h PHE 94 N 0.27 -0.31 0.21 0.00 3.57 -1.92 -2.41 116.94 116.35 1qnd h PHE 94 Ca 0.52 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.00 1qnd h PHE 94 Cb 1.54 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.38 1qnd h PHE 94 CO -0.00 -0.05 -0.16 0.35 -2.23 0.00 0.00 178.31 176.22 1qnd h PHE 95 N -0.55 -0.43 0.00 0.41 3.57 -0.62 -3.17 116.94 116.14 1qnd h PHE 95 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1qnd h PHE 95 Cb 0.41 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1qnd h PHE 95 CO -0.00 -0.22 0.00 -0.56 -2.23 0.00 0.00 178.31 175.30 1qnd h GLN 96 N -0.35 0.00 0.00 1.11 3.07 -0.84 -3.45 115.11 114.64 1qnd h GLN 96 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1qnd h GLN 96 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1qnd h GLN 96 CO 0.01 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.34 1qnd n GLY 97 N -0.68 0.43 0.72 0.06 0.00 -0.91 -4.87 105.19 99.95 1qnd n GLY 97 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.66 0.46 -3.59 1.61 4.76 -1.26 -4.82 118.16 113.67 1qnd n LYS 98 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1qnd n LYS 98 Cb 0.10 -1.25 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1qnd n LYS 98 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1qnd n LEU 99 N 0.50 -2.61 -4.76 -0.35 7.94 -1.26 -4.81 117.00 111.64 1qnd n LEU 99 Ca 0.00 -0.46 -0.38 0.00 -1.11 0.00 0.00 56.01 54.06 1qnd n LEU 99 Cb 0.17 -1.74 0.01 0.00 0.53 0.00 0.00 43.42 42.39 1qnd n LEU 99 CO 0.00 0.02 0.92 -1.59 -1.11 0.00 0.00 177.39 175.63 1qnd s LYS 100 N -3.50 3.51 0.75 1.96 0.00 -1.26 -4.64 119.74 116.56 1qnd s LYS 100 Ca 0.21 2.04 -0.11 0.00 0.00 0.00 0.00 55.97 58.11 1qnd s LYS 100 Cb -0.02 -2.39 0.04 0.00 0.00 0.00 0.00 37.83 35.45 1qnd s LYS 100 CO 0.88 -0.83 1.08 0.42 0.00 0.00 0.00 175.35 176.90 1qnd s ILE 101 N -1.40 3.53 0.03 3.79 -1.09 -1.26 -4.83 121.20 119.97 1qnd s ILE 101 Ca 0.66 0.50 -0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1qnd s ILE 101 Cb -0.35 -3.23 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 1qnd s ILE 101 CO 0.43 -0.65 0.04 0.35 -1.23 0.00 0.00 174.94 173.88 1qnd n THR 102 N -3.30 0.00 0.00 2.92 -2.24 -1.26 -4.60 114.28 105.81 1qnd n THR 102 Ca 0.07 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1qnd n THR 102 Cb 0.55 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 4.73 -0.28 3.13 3.38 0.00 -1.26 -3.83 105.19 111.07 1qnd n GLY 103 Ca 0.01 0.27 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 1qnd n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qnd s ASN 104 N 0.00 0.03 0.00 1.61 0.01 -1.26 -4.94 114.94 110.39 1qnd s ASN 104 Ca 0.00 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1qnd s ASN 104 Cb 0.00 0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.89 1qnd s ASN 104 CO 0.00 -0.43 0.92 0.23 -1.51 0.00 0.00 177.10 176.31 1qnd n MET 105 N 1.19 0.00 -0.50 -0.60 2.81 -1.26 -4.18 117.12 114.57 1qnd n MET 105 Ca -0.21 0.47 0.07 0.00 -1.81 0.00 0.00 57.70 56.22 1qnd n MET 105 Cb 0.57 -1.42 0.14 0.00 -0.71 0.00 0.00 33.22 31.80 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 -0.93 4.17 0.33 3.03 0.00 -1.26 -4.75 105.19 105.78 1qnd n GLY 106 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.97 1qnd n GLY 106 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1qnd h LEU 107 N 0.55 0.66 0.00 0.99 -0.00 -1.94 -1.25 115.31 114.32 1qnd h LEU 107 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1qnd h LEU 107 Cb 1.14 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1qnd h LEU 107 CO 0.01 0.47 0.00 0.00 -0.00 0.00 0.00 178.44 178.93 1qnd n ALA 108 N -2.45 2.60 -0.09 0.17 0.00 -1.26 -1.97 120.51 117.52 1qnd n ALA 108 Ca 0.06 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1qnd n ALA 108 Cb 0.06 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.00 1qnd n ALA 108 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1qnd n MET 109 N -0.92 0.72 0.02 0.00 0.00 -0.50 -4.37 117.12 112.07 1qnd n MET 109 Ca 0.19 0.08 -0.04 0.00 0.00 0.00 0.00 57.70 57.93 1qnd n MET 109 Cb 0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 33.22 31.91 1qnd n MET 109 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1qnd h LYS 110 N 0.00 -0.15 -1.08 2.12 1.57 -1.51 -3.48 116.57 114.03 1qnd h LYS 110 Ca -0.41 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1qnd h LYS 110 Cb 1.69 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1qnd h LYS 110 CO -0.05 -0.01 0.00 1.47 -0.57 0.00 0.00 179.45 180.30 1qnd n LEU 111 N -4.87 0.00 0.00 2.94 -0.00 -0.83 -4.87 117.00 109.36 1qnd n LEU 111 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1qnd n LEU 111 Cb 0.11 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1qnd n LEU 111 CO 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 177.39 177.57 1qnd n GLN 112 N -0.54 0.00 0.00 1.47 3.00 -1.26 -0.99 117.38 119.06 1qnd n GLN 112 Ca 0.00 0.15 0.08 0.00 -0.01 0.00 0.00 57.00 57.23 1qnd n GLN 112 Cb 0.00 -0.70 0.42 0.00 0.00 0.00 0.00 30.24 29.96 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 -0.35 0.00 0.00 1.08 4.13 -1.26 -2.64 115.26 116.22 1qnd n ASN 113 Ca 0.00 0.17 0.09 0.00 1.68 0.00 0.00 54.58 56.51 1qnd n ASN 113 Cb 0.00 -0.35 0.42 0.00 -1.54 0.00 0.00 39.78 38.31 1qnd n ASN 113 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1qnd n LEU 114 N -1.35 0.00 -2.44 3.41 4.32 -0.16 -3.49 117.00 117.29 1qnd n LEU 114 Ca 0.07 0.35 -0.21 0.00 -0.02 0.00 0.00 56.01 56.21 1qnd n LEU 114 Cb 0.16 -0.35 0.01 0.00 -1.62 0.00 0.00 43.42 41.62 1qnd n LEU 114 CO 0.14 -0.15 0.11 0.00 -1.22 0.00 0.00 177.39 176.28 1qnd n GLN 115 N -1.35 2.91 -0.29 3.23 10.64 -0.77 -4.93 117.38 126.81 1qnd n GLN 115 Ca 0.07 -4.12 0.04 0.00 -1.83 0.00 0.00 57.00 51.16 1qnd n GLN 115 Cb 0.16 -2.02 -0.01 0.00 -0.86 0.00 0.00 30.24 27.51 1qnd n GLN 115 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1qnd n LEU 116 N -0.46 0.00 -3.89 2.61 4.77 -1.23 -4.68 117.00 114.11 1qnd n LEU 116 Ca 0.32 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 56.39 1qnd n LEU 116 Cb 0.77 -0.91 -0.17 0.00 -2.33 0.00 0.00 43.42 40.78 1qnd n LEU 116 CO 0.31 -1.50 -0.42 -1.10 -1.33 0.00 0.00 177.39 173.35 1qnd s GLN 117 N -0.49 1.04 1.09 3.23 -0.21 -1.26 -4.42 119.66 118.63 1qnd s GLN 117 Ca 0.00 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.09 1qnd s GLN 117 Cb 0.00 -1.09 0.23 0.00 1.00 0.00 0.00 33.01 33.16 1qnd s GLN 117 CO 0.00 -0.14 1.11 -1.25 -2.12 0.00 0.00 175.29 172.88 1qnd s PRO 118 N 1.24 -0.29 0.00 2.91 0.04 -1.26 -5.08 135.00 132.56 1qnd s PRO 118 Ca -0.05 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1qnd s PRO 118 Cb -0.14 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qnd s PRO 118 CO -0.02 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.28 1qnd n GLY 119 N -1.12 6.68 2.45 0.56 0.00 -1.26 -5.01 105.19 107.49 1qnd n GLY 119 Ca 0.09 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 1qnd n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 120 N -0.24 7.16 -4.72 1.61 4.05 -1.26 -4.96 115.26 116.91 1qnd n ASN 120 Ca 0.00 -2.66 -0.33 0.00 0.45 0.00 0.00 54.58 52.03 1qnd n ASN 120 Cb 0.00 -1.59 0.11 0.00 1.23 0.00 0.00 39.78 39.52 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qnd s ALA 121 N 2.50 2.01 -0.26 5.20 0.00 -1.26 -5.07 121.76 124.89 1qnd s ALA 121 Ca 0.62 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 1qnd s ALA 121 Cb 0.17 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.91 1qnd s ALA 121 CO -0.07 -2.02 0.66 -1.59 0.00 0.00 0.00 175.76 172.73 1qnd s LYS 122 N -4.10 0.69 0.00 0.00 -2.85 -1.26 -5.31 119.74 106.91 1qnd s LYS 122 Ca 0.72 1.13 0.00 0.00 -1.00 0.00 0.00 55.97 56.83 1qnd s LYS 122 Cb -0.27 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.66 1qnd s LYS 122 CO 0.48 -0.14 0.00 1.28 0.10 0.00 0.00 175.35 177.07