#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 1.45 -4.78 6.43 3.41 -1.26 -4.29 113.62 114.59 1qnd n SER 2 Ca 0.00 0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 58.71 1qnd n SER 2 Cb 0.00 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.16 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qnd s ALA 3 N -2.87 3.54 0.00 7.33 0.00 -1.26 -3.72 121.76 124.78 1qnd s ALA 3 Ca -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1qnd s ALA 3 Cb 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1qnd s ALA 3 CO 0.26 0.64 0.00 0.43 0.00 0.00 0.00 175.76 177.09 1qnd n SER 4 N 0.14 0.00 -2.41 0.00 7.64 -1.26 -4.97 113.62 112.76 1qnd n SER 4 Ca -0.09 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1qnd n SER 4 Cb 0.53 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.52 -3.48 -2.73 6.43 9.92 -1.26 -4.95 116.55 119.97 1qnd n ASP 5 Ca 0.00 -0.35 -0.04 0.00 -0.53 0.00 0.00 54.79 53.87 1qnd n ASP 5 Cb 0.00 -3.26 0.04 0.00 -0.64 0.00 0.00 41.12 37.26 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qnd n GLY 6 N -1.26 2.16 2.59 0.44 0.00 -1.26 -4.95 105.19 102.90 1qnd n GLY 6 Ca -0.07 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 1qnd n GLY 6 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qnd n PHE 7 N -0.48 -3.62 0.37 1.61 3.72 -1.26 -4.98 117.46 112.81 1qnd n PHE 7 Ca 0.11 -0.95 0.14 0.00 -0.05 0.00 0.00 57.45 56.70 1qnd n PHE 7 Cb 0.81 -0.61 0.52 0.00 -0.94 0.00 0.00 39.48 39.27 1qnd n PHE 7 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1qnd h LYS 8 N 0.00 0.00 -0.35 -1.08 3.64 -1.99 -3.05 116.57 113.74 1qnd h LYS 8 Ca -0.26 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1qnd h LYS 8 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1qnd h LYS 8 CO 0.22 0.00 0.51 0.00 -2.27 0.00 0.00 179.45 177.91 1qnd h ALA 9 N 2.18 1.99 -0.56 5.00 0.00 -1.93 -2.03 119.26 123.90 1qnd h ALA 9 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1qnd h ALA 9 Cb 0.53 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1qnd h ALA 9 CO 0.00 -0.69 0.25 -0.97 0.00 0.00 0.00 179.25 177.84 1qnd h ASN 10 N 0.00 0.31 -0.10 0.00 -0.73 -1.90 -0.27 115.58 112.89 1qnd h ASN 10 Ca 0.16 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1qnd h ASN 10 Cb 1.18 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.77 1qnd h ASN 10 CO -0.00 0.20 0.04 -0.07 -0.37 0.00 0.00 177.43 177.23 1qnd h LEU 11 N 0.47 0.14 0.34 0.34 3.38 -1.62 -2.93 115.31 115.43 1qnd h LEU 11 Ca 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1qnd h LEU 11 Cb 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1qnd h LEU 11 CO -0.23 0.26 -0.22 0.58 0.09 0.00 0.00 178.44 178.92 1qnd h VAL 12 N 0.00 0.53 0.00 1.22 2.07 -1.46 -2.61 116.25 116.01 1qnd h VAL 12 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1qnd h VAL 12 Cb 0.17 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1qnd h VAL 12 CO -0.00 0.00 -0.13 -0.26 0.02 0.00 0.00 177.57 177.19 1qnd h PHE 13 N -0.55 0.00 0.00 1.57 0.04 -1.12 -2.40 116.94 114.48 1qnd h PHE 13 Ca -0.03 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 1qnd h PHE 13 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1qnd h PHE 13 CO -0.10 0.13 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.25 1qnd h LYS 14 N 0.00 0.00 -0.21 1.51 3.64 -1.27 -1.99 116.57 118.25 1qnd h LYS 14 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1qnd h LYS 14 Cb 0.32 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1qnd h LYS 14 CO 0.02 0.27 -0.21 1.05 -2.27 0.00 0.00 179.45 178.31 1qnd h GLU 15 N 0.00 -0.22 -0.23 1.90 -0.00 -1.12 0.37 114.58 115.28 1qnd h GLU 15 Ca -0.00 0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.39 1qnd h GLU 15 Cb 0.96 0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.74 1qnd h GLU 15 CO 0.04 -0.14 0.10 0.82 -0.00 0.00 0.00 179.01 179.82 1qnd h ILE 16 N -0.22 0.97 -0.12 -1.06 2.04 -1.57 -1.53 117.51 116.02 1qnd h ILE 16 Ca 0.13 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1qnd h ILE 16 Cb 0.41 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1qnd h ILE 16 CO -0.34 0.04 -0.10 -0.08 0.00 0.00 0.00 178.15 177.67 1qnd h GLU 17 N 0.22 -0.11 -0.32 2.37 4.81 -1.14 -0.38 114.58 120.03 1qnd h GLU 17 Ca 0.10 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1qnd h GLU 17 Cb 0.04 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1qnd h GLU 17 CO -0.08 -0.08 0.14 0.87 -0.73 0.00 0.00 179.01 179.14 1qnd h LYS 18 N -0.12 0.29 -0.54 1.92 1.79 0.48 0.89 116.57 121.28 1qnd h LYS 18 Ca 0.08 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.44 1qnd h LYS 18 Cb 0.24 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1qnd h LYS 18 CO -0.20 0.19 -0.04 -0.22 -1.08 0.00 0.00 179.45 178.11 1qnd h LYS 19 N 0.30 0.96 -0.94 3.15 1.63 -1.18 -2.19 116.57 118.30 1qnd h LYS 19 Ca 0.14 -0.31 0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1qnd h LYS 19 Cb 0.08 -0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 31.55 1qnd h LYS 19 CO -0.11 0.97 0.61 -0.07 -3.45 0.00 0.00 179.45 177.39 1qnd h LEU 20 N 0.87 0.91 0.24 5.20 3.38 0.03 -0.23 115.31 125.72 1qnd h LEU 20 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1qnd h LEU 20 Cb 0.56 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qnd h LEU 20 CO 0.03 0.56 -0.11 -0.33 0.09 0.00 0.00 178.44 178.67 1qnd h GLU 21 N 1.02 -0.31 -0.44 1.13 4.39 -0.54 0.21 114.58 120.04 1qnd h GLU 21 Ca 0.42 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.16 1qnd h GLU 21 Cb 0.30 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1qnd h GLU 21 CO -0.18 -0.06 0.28 0.93 -1.16 0.00 0.00 179.01 178.82 1qnd h GLU 22 N -0.53 0.55 0.00 2.33 5.08 -1.13 -3.40 114.58 117.49 1qnd h GLU 22 Ca -0.03 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 1qnd h GLU 22 Cb 0.39 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.37 1qnd h GLU 22 CO 0.05 0.37 -0.32 -1.91 -1.00 0.00 0.00 179.01 176.20 1qnd n GLU 23 N -4.80 0.94 0.17 2.33 2.13 -0.12 -4.97 120.64 116.32 1qnd n GLU 23 Ca 0.02 -1.70 0.13 0.00 0.66 0.00 0.00 57.16 56.27 1qnd n GLU 23 Cb 0.04 -0.56 0.57 0.00 0.27 0.00 0.00 31.44 31.77 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 2.47 0.00 0.37 8.31 0.00 -0.60 -3.34 103.07 110.29 1qnd h GLY 24 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.23 1qnd h GLY 24 CO 0.03 0.00 0.39 1.05 0.00 0.00 0.00 176.54 178.01 1qnd h GLU 25 N 0.00 0.61 -0.00 4.80 4.11 -1.77 0.13 114.58 122.46 1qnd h GLU 25 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 1qnd h GLU 25 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1qnd h GLU 25 CO 0.00 0.40 -0.84 0.37 0.07 0.00 0.00 179.01 179.01 1qnd h GLN 26 N 0.63 0.14 0.00 1.06 4.15 -1.88 -3.20 115.11 116.01 1qnd h GLN 26 Ca 0.40 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 1qnd h GLN 26 Cb 0.48 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1qnd h GLN 26 CO -0.31 0.90 -0.47 0.74 -1.93 0.00 0.00 178.83 177.76 1qnd h PHE 27 N 0.08 0.00 0.00 3.99 0.04 -1.03 -2.35 116.94 117.67 1qnd h PHE 27 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1qnd h PHE 27 Cb 1.45 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.60 1qnd h PHE 27 CO 0.02 0.47 -0.01 0.28 -0.60 0.00 0.00 178.31 178.47 1qnd h VAL 28 N 0.00 0.84 0.00 -0.55 2.07 -0.99 -0.24 116.25 117.37 1qnd h VAL 28 Ca -0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1qnd h VAL 28 Cb 1.05 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1qnd h VAL 28 CO 0.06 0.01 -0.06 0.11 0.02 0.00 0.00 177.57 177.72 1qnd h LYS 29 N 0.00 0.00 0.00 1.57 1.79 -1.54 -2.56 116.57 115.83 1qnd h LYS 29 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1qnd h LYS 29 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1qnd h LYS 29 CO 0.00 0.06 0.00 1.63 -1.08 0.00 0.00 179.45 180.06 1qnd n LYS 30 N -3.29 0.00 0.11 3.15 4.76 -0.10 -4.47 118.16 118.31 1qnd n LYS 30 Ca -0.01 0.46 -0.06 0.00 -2.87 0.00 0.00 58.31 55.83 1qnd n LYS 30 Cb 0.24 -1.13 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 1qnd n LYS 30 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1qnd h ILE 31 N 0.00 0.00 -4.69 -0.18 5.03 -1.72 -3.50 117.51 112.46 1qnd h ILE 31 Ca 0.00 -0.73 -0.20 0.00 -0.12 0.00 0.00 64.86 63.81 1qnd h ILE 31 Cb 0.00 0.01 0.14 0.00 -3.03 0.00 0.00 36.82 33.93 1qnd h ILE 31 CO 0.00 0.00 -0.59 0.61 -0.68 0.00 0.00 178.15 177.49 1qnd n GLY 32 N 0.86 -0.42 3.79 5.37 0.00 -0.96 -4.91 105.19 108.91 1qnd n GLY 32 Ca -0.05 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.50 -0.13 0.37 -0.02 0.00 -0.20 -4.82 107.32 99.02 1qnd s GLY 33 Ca 0.22 0.01 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 1qnd s GLY 33 CO 0.52 0.71 0.96 -0.42 0.00 0.00 0.00 173.10 174.88 1qnd s ILE 34 N -2.87 4.21 0.31 0.90 1.09 -1.26 -1.26 121.20 122.31 1qnd s ILE 34 Ca 0.15 1.64 0.04 0.00 -1.10 0.00 0.00 60.65 61.38 1qnd s ILE 34 Cb -0.01 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 1qnd s ILE 34 CO 0.03 -0.05 0.28 0.72 -0.10 0.00 0.00 174.94 175.82 1qnd s PHE 35 N -1.83 1.52 0.28 3.97 -0.71 -0.33 -3.64 117.98 117.25 1qnd s PHE 35 Ca 0.56 -1.54 0.07 0.00 -1.04 0.00 0.00 56.93 54.98 1qnd s PHE 35 Cb -0.15 -0.58 -0.06 0.00 -1.21 0.00 0.00 43.02 41.02 1qnd s PHE 35 CO 0.20 -0.87 -0.08 0.00 -1.34 0.00 0.00 175.22 173.14 1qnd s ALA 36 N -3.54 2.42 -0.28 1.99 0.00 -1.16 -0.52 121.76 120.67 1qnd s ALA 36 Ca 0.39 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.47 1qnd s ALA 36 Cb 0.03 0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1qnd s ALA 36 CO 0.23 -0.02 -0.05 -0.06 0.00 0.00 0.00 175.76 175.87 1qnd s PHE 37 N -2.93 3.10 -0.39 0.00 0.08 -0.45 -1.71 117.98 115.69 1qnd s PHE 37 Ca 0.29 -2.33 -0.29 0.00 0.12 0.00 0.00 56.93 54.72 1qnd s PHE 37 Cb 0.03 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1qnd s PHE 37 CO 0.12 -0.87 1.48 0.15 -0.10 0.00 0.00 175.22 176.00 1qnd s LYS 38 N 1.15 3.56 -0.56 0.44 1.02 0.11 -3.47 119.74 122.00 1qnd s LYS 38 Ca -0.02 1.06 -0.13 0.00 0.02 0.00 0.00 55.97 56.90 1qnd s LYS 38 Cb -0.19 -4.05 0.14 0.00 -0.52 0.00 0.00 37.83 33.21 1qnd s LYS 38 CO -0.07 -1.58 0.48 0.08 -0.92 0.00 0.00 175.35 173.34 1qnd s VAL 39 N 5.60 4.83 0.62 3.17 1.01 -0.63 -1.56 120.40 133.44 1qnd s VAL 39 Ca 0.64 -1.80 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1qnd s VAL 39 Cb -0.16 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.20 1qnd s VAL 39 CO 0.32 -0.86 0.87 -1.59 0.00 0.00 0.00 175.10 173.84 1qnd s LYS 40 N 1.25 2.13 -1.30 2.72 0.00 -1.26 -1.12 119.74 122.15 1qnd s LYS 40 Ca 0.07 -1.08 -0.07 0.00 0.00 0.00 0.00 55.97 54.89 1qnd s LYS 40 Cb -0.26 -2.45 -0.00 0.00 0.00 0.00 0.00 37.83 35.12 1qnd s LYS 40 CO -0.00 -1.04 0.59 -3.47 0.00 0.00 0.00 175.35 171.42 1qnd n ASP 41 N -2.53 -2.05 -3.66 0.03 2.03 -1.15 -1.02 116.55 108.21 1qnd n ASP 41 Ca 0.12 -0.98 -0.29 0.00 0.52 0.00 0.00 54.79 54.17 1qnd n ASP 41 Cb 0.60 -3.33 0.27 0.00 -0.72 0.00 0.00 41.12 37.95 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 -1.82 -3.25 3.55 0.27 0.00 -1.17 -4.31 105.19 98.47 1qnd n GLY 42 Ca -0.24 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 -5.09 0.30 0.00 1.61 -0.04 -1.26 -2.30 135.00 128.22 1qnd n PRO 43 Ca 0.09 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1qnd n PRO 43 Cb 0.56 -3.70 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 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 6.39 1.16 0.00 0.55 0.00 -1.26 -4.95 105.19 107.08 1qnd n GLY 44 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.64 0.57 -0.02 0.00 -0.97 -5.08 105.19 100.33 1qnd n GLY 45 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.32 -4.37 1.61 5.02 -1.26 -4.03 118.16 113.81 1qnd n LYS 46 Ca 0.00 -0.28 -0.24 0.00 -2.02 0.00 0.00 58.31 55.77 1qnd n LYS 46 Cb 0.00 -0.26 -0.08 0.00 -0.02 0.00 0.00 35.03 34.66 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 -3.40 2.03 0.18 1.97 2.12 -1.26 -2.92 118.70 117.42 1qnd s GLU 47 Ca 0.11 -1.60 -0.11 0.00 0.36 0.00 0.00 54.97 53.74 1qnd s GLU 47 Cb -0.01 -1.98 -0.00 0.00 0.26 0.00 0.00 34.13 32.40 1qnd s GLU 47 CO 0.09 0.32 0.35 0.00 -0.54 0.00 0.00 175.26 175.48 1qnd s ALA 48 N -2.42 -0.16 -0.16 6.30 0.00 -0.28 -4.07 121.76 120.96 1qnd s ALA 48 Ca 0.31 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1qnd s ALA 48 Cb -0.05 0.91 0.06 0.00 0.00 0.00 0.00 23.12 24.04 1qnd s ALA 48 CO 0.18 -0.71 0.39 0.99 0.00 0.00 0.00 175.76 176.61 1qnd s THR 49 N -3.97 -0.09 -0.18 0.00 2.01 -1.26 -1.61 115.64 110.55 1qnd s THR 49 Ca 0.17 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 1qnd s THR 49 Cb 0.02 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1qnd s THR 49 CO 0.01 0.05 0.39 0.26 -0.69 0.00 0.00 174.62 174.64 1qnd s TRP 50 N 1.51 3.42 0.36 4.92 0.51 -1.23 -4.24 118.94 124.21 1qnd s TRP 50 Ca -0.09 0.66 -0.18 0.00 -2.12 0.00 0.00 56.10 54.38 1qnd s TRP 50 Cb -0.09 -2.49 -0.10 0.00 -0.81 0.00 0.00 33.47 29.98 1qnd s TRP 50 CO -0.12 0.08 0.83 0.08 -0.51 0.00 0.00 176.95 177.31 1qnd s VAL 51 N 0.98 4.54 -0.09 4.03 1.01 -1.20 -1.34 120.40 128.33 1qnd s VAL 51 Ca 0.20 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 1qnd s VAL 51 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1qnd s VAL 51 CO 0.07 -0.22 -0.03 -0.69 0.00 0.00 0.00 175.10 174.24 1qnd s VAL 52 N -2.04 0.63 -0.50 2.92 1.01 0.32 -1.57 120.40 121.17 1qnd s VAL 52 Ca 0.57 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 1qnd s VAL 52 Cb -0.10 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1qnd s VAL 52 CO 0.16 0.30 0.72 -0.62 0.00 0.00 0.00 175.10 175.66 1qnd s ASP 53 N 1.87 6.29 -0.37 3.32 2.15 -0.24 -1.18 116.67 128.50 1qnd s ASP 53 Ca 0.05 -0.59 0.13 0.00 0.43 0.00 0.00 52.55 52.57 1qnd s ASP 53 Cb -0.12 -2.34 0.38 0.00 -0.30 0.00 0.00 42.92 40.54 1qnd s ASP 53 CO -0.06 -0.96 0.82 1.33 -0.17 0.00 0.00 175.17 176.13 1qnd n VAL 54 N 5.85 0.45 0.05 1.11 0.24 -0.39 -1.80 118.33 123.84 1qnd n VAL 54 Ca -0.03 -4.21 0.00 0.00 -2.04 0.00 0.00 64.34 58.06 1qnd n VAL 54 Cb 0.47 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.13 0.00 -2.68 7.34 4.81 -1.16 -1.04 118.16 125.56 1qnd n LYS 55 Ca 0.21 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.26 1qnd n LYS 55 Cb 0.69 -0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.68 1qnd n LYS 55 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1qnd s ASN 56 N -5.00 7.47 0.87 3.14 0.01 -1.26 -4.81 114.94 115.35 1qnd s ASN 56 Ca 0.00 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.17 1qnd s ASN 56 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1qnd s ASN 56 CO 0.00 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.22 1qnd n GLY 57 N 1.23 2.09 0.99 0.66 0.00 -1.26 -2.39 105.19 106.51 1qnd n GLY 57 Ca -0.01 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 13.25 2.57 0.00 1.61 4.76 -1.26 -4.95 118.16 134.14 1qnd n LYS 58 Ca 0.00 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.18 1qnd n LYS 58 Cb 0.00 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qnd n GLY 59 N 1.13 -1.09 3.58 0.72 0.00 -1.01 -2.68 105.19 105.84 1qnd n GLY 59 Ca 0.17 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.53 -0.20 0.17 1.61 0.01 -0.75 -4.75 113.70 107.26 1qnd s SER 60 Ca 0.00 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.30 1qnd s SER 60 Cb 0.00 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1qnd s SER 60 CO 0.00 -0.38 0.02 -0.69 0.41 0.00 0.00 173.24 172.60 1qnd s VAL 61 N -2.66 3.85 -0.46 3.43 1.01 -1.26 -1.08 120.40 123.22 1qnd s VAL 61 Ca 0.09 -1.35 0.07 0.00 0.00 0.00 0.00 61.98 60.79 1qnd s VAL 61 Cb -0.00 -2.93 0.25 0.00 0.00 0.00 0.00 36.38 33.69 1qnd s VAL 61 CO -0.06 -0.10 0.58 0.18 0.00 0.00 0.00 175.10 175.71 1qnd n LEU 62 N -0.11 1.18 -4.77 3.92 4.77 -0.61 -4.90 117.00 116.48 1qnd n LEU 62 Ca -0.10 -4.90 -0.39 0.00 -0.03 0.00 0.00 56.01 50.59 1qnd n LEU 62 Cb 0.55 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 1qnd n LEU 62 CO 0.39 2.06 0.93 -2.16 -1.33 0.00 0.00 177.39 177.29 1qnd s PRO 63 N -1.51 4.03 -1.56 3.23 0.04 -1.26 -2.46 135.00 135.51 1qnd s PRO 63 Ca 0.36 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1qnd s PRO 63 Cb 0.16 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1qnd s PRO 63 CO -0.09 -0.42 0.00 0.09 0.04 0.00 0.00 177.00 176.63 1qnd n ASN 64 N 0.20 -4.30 -4.79 6.66 3.02 -1.26 -4.93 115.26 109.86 1qnd n ASN 64 Ca 0.03 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.49 1qnd n ASN 64 Cb 0.44 -3.82 -0.06 0.00 -0.61 0.00 0.00 39.78 35.73 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 -2.23 7.13 0.00 6.41 0.15 -1.03 -4.95 113.70 119.18 1qnd s SER 65 Ca 0.00 1.34 0.29 0.00 0.70 0.00 0.00 55.95 58.29 1qnd s SER 65 Cb 0.00 -2.40 1.37 0.00 -1.71 0.00 0.00 66.02 63.28 1qnd s SER 65 CO 0.00 0.20 1.95 0.47 1.20 0.00 0.00 173.24 177.06 1qnd n ASP 66 N 2.03 0.27 -4.75 5.45 8.00 -1.26 -4.82 116.55 121.45 1qnd n ASP 66 Ca -0.08 -0.44 -0.39 0.00 0.71 0.00 0.00 54.79 54.60 1qnd n ASP 66 Cb 0.50 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1qnd n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qnd s LYS 67 N -2.49 3.32 0.45 -1.24 1.02 -1.26 -5.00 119.74 114.54 1qnd s LYS 67 Ca 0.30 2.30 -0.08 0.00 0.02 0.00 0.00 55.97 58.51 1qnd s LYS 67 Cb 0.20 -2.39 0.11 0.00 -0.52 0.00 0.00 37.83 35.24 1qnd s LYS 67 CO 0.47 -1.07 0.40 0.36 -0.92 0.00 0.00 175.35 174.58 1qnd n LYS 68 N -0.75 -1.83 -3.72 1.68 2.85 -1.26 -5.00 118.16 110.12 1qnd n LYS 68 Ca 0.09 -0.64 -0.12 0.00 -1.05 0.00 0.00 58.31 56.59 1qnd n LYS 68 Cb 0.44 -0.60 -0.11 0.00 -0.65 0.00 0.00 35.03 34.11 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 -2.98 -0.91 0.23 0.58 0.00 -1.26 -4.90 121.76 112.52 1qnd s ALA 69 Ca 0.26 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1qnd s ALA 69 Cb -0.03 -0.75 0.25 0.00 0.00 0.00 0.00 23.12 22.60 1qnd s ALA 69 CO 0.20 -0.22 1.57 0.22 0.00 0.00 0.00 175.76 177.53 1qnd h ASP 70 N 6.54 -1.18 -5.29 0.00 1.82 -1.92 -3.43 116.42 112.95 1qnd h ASP 70 Ca -0.33 0.27 -0.09 0.00 -0.39 0.00 0.00 57.03 56.49 1qnd h ASP 70 Cb 1.18 0.65 -0.11 0.00 0.68 0.00 0.00 39.33 41.73 1qnd h ASP 70 CO 0.30 -0.29 -0.22 0.00 -1.61 0.00 0.00 179.24 177.41 1qnd n THR 72 N -0.34 0.00 -4.11 0.00 -1.04 -1.26 -3.01 114.28 104.52 1qnd n THR 72 Ca -0.02 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.05 61.62 1qnd n THR 72 Cb 0.63 0.06 -0.09 0.00 -1.82 0.00 0.00 70.33 69.11 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 -1.29 0.04 0.25 12.58 2.07 -0.69 -3.90 121.20 130.26 1qnd s ILE 73 Ca 0.00 -1.77 0.08 0.00 -1.41 0.00 0.00 60.65 57.55 1qnd s ILE 73 Cb 0.00 -2.19 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 1qnd s ILE 73 CO 0.00 -0.20 0.11 0.28 -1.91 0.00 0.00 174.94 173.22 1qnd s THR 74 N -4.07 4.04 0.00 4.00 -1.32 -1.26 -0.71 115.64 116.32 1qnd s THR 74 Ca 0.28 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1qnd s THR 74 Cb 0.05 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.88 1qnd s THR 74 CO 0.06 -0.35 0.00 0.23 -2.21 0.00 0.00 174.62 172.36 1qnd n MET 75 N -1.01 0.00 0.00 7.08 2.81 -0.60 -4.64 117.12 120.76 1qnd n MET 75 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1qnd n MET 75 Cb 0.58 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.86 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 -1.39 -0.02 -0.10 3.04 0.00 -1.04 -4.39 120.51 116.61 1qnd n ALA 76 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1qnd n ALA 76 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 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 0.36 -0.71 0.00 3.58 -1.28 -0.07 116.42 118.31 1qnd h ASP 77 Ca 0.00 -0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.53 1qnd h ASP 77 Cb 0.00 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 40.89 1qnd h ASP 77 CO 0.00 0.26 0.36 0.28 -2.88 0.00 0.00 179.24 177.26 1qnd h SER 78 N 0.44 0.47 0.24 2.28 0.02 -1.80 0.10 113.55 115.30 1qnd h SER 78 Ca 0.12 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1qnd h SER 78 Cb -0.04 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1qnd h SER 78 CO -0.04 0.27 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.03 1qnd h ASP 79 N 0.61 -0.28 -0.71 3.07 1.82 -1.72 -2.29 116.42 116.92 1qnd h ASP 79 Ca 0.35 0.01 0.14 0.00 -0.39 0.00 0.00 57.03 57.13 1qnd h ASP 79 Cb 0.35 0.07 -0.10 0.00 0.68 0.00 0.00 39.33 40.34 1qnd h ASP 79 CO -0.26 -0.08 0.22 -0.26 -1.61 0.00 0.00 179.24 177.26 1qnd h PHE 80 N -0.57 0.37 0.06 0.28 0.04 -0.90 -0.00 116.94 116.22 1qnd h PHE 80 Ca -0.03 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1qnd h PHE 80 Cb 0.25 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1qnd h PHE 80 CO 0.06 0.00 -0.03 1.25 -0.60 0.00 0.00 178.31 179.00 1qnd h LEU 81 N 0.35 -0.07 -0.90 1.54 5.85 -1.12 -3.34 115.31 117.63 1qnd h LEU 81 Ca 0.39 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.19 1qnd h LEU 81 Cb 0.60 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1qnd h LEU 81 CO -0.43 -0.05 0.55 0.00 -0.34 0.00 0.00 178.44 178.18 1qnd h ALA 82 N -1.96 1.27 0.08 1.25 0.00 -0.76 -0.07 119.26 119.08 1qnd h ALA 82 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qnd h ALA 82 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1qnd h ALA 82 CO 0.01 0.24 -0.20 1.25 0.00 0.00 0.00 179.25 180.55 1qnd h LEU 83 N 0.95 -0.59 -0.52 0.00 5.85 -1.17 -0.27 115.31 119.57 1qnd h LEU 83 Ca 0.41 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1qnd h LEU 83 Cb 0.29 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1qnd h LEU 83 CO -0.21 -0.22 0.00 0.00 -0.34 0.00 0.00 178.44 177.67 1qnd h MET 84 N -0.31 0.00 -0.20 1.25 -0.00 -1.66 -3.16 114.93 110.85 1qnd h MET 84 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1qnd h MET 84 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1qnd h MET 84 CO -0.09 0.00 0.00 2.41 -0.00 0.00 0.00 176.91 179.23 1qnd n THR 85 N -3.01 0.00 -3.53 -0.10 -1.04 -0.05 -4.62 114.28 101.93 1qnd n THR 85 Ca 0.03 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.84 1qnd n THR 85 Cb 0.44 -0.15 0.07 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.29 -0.38 0.88 3.41 0.00 -1.12 -4.74 105.19 103.53 1qnd n GLY 86 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.31 0.42 0.00 1.61 4.81 -0.13 -4.65 118.16 115.90 1qnd n LYS 87 Ca -0.23 -1.98 0.00 0.00 -0.87 0.00 0.00 58.31 55.22 1qnd n LYS 87 Cb 0.65 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 35.10 1qnd n LYS 87 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1qnd n MET 88 N -0.15 0.00 -2.39 1.64 2.81 -1.23 -4.72 117.12 113.08 1qnd n MET 88 Ca 0.08 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.94 1qnd n MET 88 Cb 0.88 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.39 1qnd n MET 88 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qnd n ASN 89 N 2.85 -4.45 -4.55 7.83 2.85 -1.26 -4.25 115.26 114.28 1qnd n ASN 89 Ca 0.00 0.24 -0.38 0.00 -0.11 0.00 0.00 54.58 54.33 1qnd n ASN 89 Cb 0.00 -1.08 -0.03 0.00 1.24 0.00 0.00 39.78 39.91 1qnd n ASN 89 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1qnd s PRO 90 N -0.78 2.52 0.12 1.20 0.04 -1.26 -4.13 135.00 132.72 1qnd s PRO 90 Ca 0.02 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1qnd s PRO 90 Cb -0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1qnd s PRO 90 CO 0.05 -2.83 0.00 1.04 0.04 0.00 0.00 177.00 175.31 1qnd n GLN 91 N 9.08 -2.51 0.00 4.56 6.02 -1.26 -4.71 117.38 128.55 1qnd n GLN 91 Ca 0.26 1.97 0.00 0.00 -0.01 0.00 0.00 57.00 59.22 1qnd n GLN 91 Cb 0.52 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1qnd n GLN 91 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1qnd n SER 92 N 0.59 0.00 0.20 1.08 7.64 -1.26 -3.81 113.62 118.06 1qnd n SER 92 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1qnd n SER 92 Cb 0.00 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 63.68 1qnd n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qnd h ALA 93 N -2.00 1.00 -0.60 -0.43 0.00 -1.82 -2.43 119.26 112.98 1qnd h ALA 93 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1qnd h ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1qnd h ALA 93 CO 0.00 0.00 0.09 0.74 0.00 0.00 0.00 179.25 180.08 1qnd h PHE 94 N 0.00 1.04 0.51 0.00 0.04 -1.96 0.57 116.94 117.14 1qnd h PHE 94 Ca 0.00 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1qnd h PHE 94 Cb 0.62 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1qnd h PHE 94 CO 0.00 0.89 -0.49 0.35 -0.60 0.00 0.00 178.31 178.46 1qnd h PHE 95 N 0.93 -1.34 0.00 -0.55 3.57 -1.53 -2.57 116.94 115.45 1qnd h PHE 95 Ca 0.19 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1qnd h PHE 95 Cb 0.42 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1qnd h PHE 95 CO 0.03 -0.65 -0.36 -0.56 -2.23 0.00 0.00 178.31 174.53 1qnd h GLN 96 N -0.99 0.00 -1.01 1.11 3.07 -1.67 -3.47 115.11 112.15 1qnd h GLN 96 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.45 1qnd h GLN 96 Cb 0.85 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.36 1qnd h GLN 96 CO -0.05 0.36 -0.24 0.41 0.09 0.00 0.00 178.83 179.40 1qnd n GLY 97 N -0.11 0.61 1.65 0.06 0.00 0.19 -4.91 105.19 102.67 1qnd n GLY 97 Ca -0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.38 0.93 -3.29 1.61 5.02 -1.20 -4.86 118.16 113.98 1qnd n LYS 98 Ca -0.12 -0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 55.84 1qnd n LYS 98 Cb 0.47 -1.19 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 1qnd n LYS 98 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1qnd n LEU 99 N 1.71 -1.53 -4.77 -0.35 -0.00 -1.26 -4.79 117.00 106.00 1qnd n LEU 99 Ca 0.04 -0.54 -0.41 0.00 -0.00 0.00 0.00 56.01 55.11 1qnd n LEU 99 Cb 0.46 -1.21 -0.01 0.00 -0.00 0.00 0.00 43.42 42.66 1qnd n LEU 99 CO 0.02 0.21 1.07 -1.59 -0.00 0.00 0.00 177.39 177.10 1qnd s LYS 100 N -3.43 4.24 0.69 1.47 0.00 -1.26 -4.80 119.74 116.65 1qnd s LYS 100 Ca 0.10 2.38 -0.11 0.00 0.00 0.00 0.00 55.97 58.33 1qnd s LYS 100 Cb -0.01 -3.04 0.01 0.00 0.00 0.00 0.00 37.83 34.78 1qnd s LYS 100 CO 0.68 -0.38 1.06 0.42 0.00 0.00 0.00 175.35 177.13 1qnd s ILE 101 N -0.85 3.94 0.24 3.79 1.09 -1.26 -4.84 121.20 123.31 1qnd s ILE 101 Ca 0.53 0.67 0.01 0.00 -1.10 0.00 0.00 60.65 60.76 1qnd s ILE 101 Cb -0.43 -3.36 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 1qnd s ILE 101 CO 0.54 -0.79 0.17 0.42 -0.10 0.00 0.00 174.94 175.18 1qnd s THR 102 N -2.95 0.03 0.00 2.92 -4.23 -1.25 -4.47 115.64 105.69 1qnd s THR 102 Ca 0.59 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1qnd s THR 102 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1qnd s THR 102 CO 0.52 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1qnd n GLY 103 N -0.38 3.31 0.25 3.99 0.00 -1.26 -4.58 105.19 106.52 1qnd n GLY 103 Ca 0.03 -0.62 0.17 0.00 0.00 0.00 0.00 46.02 45.60 1qnd n GLY 103 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qnd h ASN 104 N 0.00 0.00 -0.35 1.61 2.35 -1.90 -3.49 115.58 113.80 1qnd h ASN 104 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qnd h ASN 104 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1qnd h ASN 104 CO 0.00 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.01 1qnd n MET 105 N -2.66 0.00 0.00 0.81 2.81 -1.26 -4.80 117.12 112.02 1qnd n MET 105 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1qnd n MET 105 Cb 0.07 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.58 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 0.00 1.83 4.82 3.03 0.00 -1.26 -4.81 105.19 108.80 1qnd n GLY 106 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1qnd n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qnd n LEU 107 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.60 117.00 116.90 1qnd n LEU 107 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qnd n LEU 107 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1qnd n LEU 107 CO 0.00 0.00 0.42 0.00 -1.33 0.00 0.00 177.39 176.48 1qnd n ALA 108 N 0.00 -0.40 -1.32 -1.18 0.00 -1.26 -3.70 120.51 112.66 1qnd n ALA 108 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1qnd n ALA 108 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1qnd n ALA 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qnd n MET 109 N -1.86 2.62 -0.27 0.00 2.81 -1.26 -4.71 117.12 114.45 1qnd n MET 109 Ca 0.00 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.76 1qnd n MET 109 Cb 0.00 -2.94 0.00 0.00 -0.71 0.00 0.00 33.22 29.57 1qnd n MET 109 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qnd n LYS 110 N 5.36 0.79 0.00 0.03 5.02 -1.24 -5.00 118.16 123.11 1qnd n LYS 110 Ca 0.57 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1qnd n LYS 110 Cb 0.31 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1qnd n LYS 110 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1qnd n LEU 111 N 1.31 0.00 -0.13 -0.35 -0.00 -1.26 -3.66 117.00 112.91 1qnd n LEU 111 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1qnd n LEU 111 Cb 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.71 1qnd n LEU 111 CO 0.00 -0.08 -1.11 0.00 -0.00 0.00 0.00 177.39 176.20 1qnd n GLN 112 N 0.00 0.58 0.07 1.47 1.13 -1.26 -4.74 117.38 114.63 1qnd n GLN 112 Ca 0.00 0.37 0.19 0.00 -1.94 0.00 0.00 57.00 55.62 1qnd n GLN 112 Cb 0.00 -1.58 0.73 0.00 0.11 0.00 0.00 30.24 29.51 1qnd n GLN 112 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1qnd h ASN 113 N -1.00 0.00 -0.19 1.08 4.21 -1.78 0.24 115.58 118.14 1qnd h ASN 113 Ca -0.56 0.00 0.00 0.00 1.21 0.00 0.00 56.30 56.95 1qnd h ASN 113 Cb 1.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.68 1qnd h ASN 113 CO -0.34 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 175.69 1qnd n LEU 114 N -4.10 1.01 -2.69 1.61 7.94 -1.24 -3.91 117.00 115.62 1qnd n LEU 114 Ca 0.07 -0.50 -0.07 0.00 -1.11 0.00 0.00 56.01 54.40 1qnd n LEU 114 Cb 0.54 -0.12 0.08 0.00 0.53 0.00 0.00 43.42 44.45 1qnd n LEU 114 CO 0.33 0.25 0.24 0.00 -1.11 0.00 0.00 177.39 177.10 1qnd n GLN 115 N 0.04 1.22 -1.31 1.96 10.64 0.81 -4.91 117.38 125.83 1qnd n GLN 115 Ca 0.07 -2.44 0.15 0.00 -1.83 0.00 0.00 57.00 52.95 1qnd n GLN 115 Cb 0.16 -0.57 -0.07 0.00 -0.86 0.00 0.00 30.24 28.90 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 -0.45 -0.83 -4.74 2.61 4.77 -1.11 -4.35 117.00 112.91 1qnd n LEU 116 Ca 0.01 1.93 -0.41 0.00 -0.03 0.00 0.00 56.01 57.51 1qnd n LEU 116 Cb 0.84 -3.32 -0.03 0.00 -2.33 0.00 0.00 43.42 38.58 1qnd n LEU 116 CO 0.06 -2.06 0.98 -1.10 -1.33 0.00 0.00 177.39 173.94 1qnd s GLN 117 N -4.05 4.39 1.10 3.23 -1.52 -1.26 -4.37 119.66 117.19 1qnd s GLN 117 Ca 0.00 2.04 -0.16 0.00 -1.95 0.00 0.00 55.36 55.30 1qnd s GLN 117 Cb 0.00 -3.20 0.24 0.00 -0.22 0.00 0.00 33.01 29.83 1qnd s GLN 117 CO 0.00 -0.24 1.10 -1.25 -0.25 0.00 0.00 175.29 174.65 1qnd s PRO 118 N -0.14 -0.40 0.00 2.91 0.04 -1.26 -4.85 135.00 131.31 1qnd s PRO 118 Ca 0.56 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1qnd s PRO 118 Cb -0.36 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1qnd s PRO 118 CO 0.38 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1qnd n GLY 119 N -1.02 0.38 3.19 0.56 0.00 -1.26 -5.08 105.19 101.97 1qnd n GLY 119 Ca 0.09 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.04 -1.01 0.04 1.61 5.15 -1.26 -5.02 115.26 114.73 1qnd n ASN 120 Ca 0.00 -2.98 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 1qnd n ASN 120 Cb 0.00 2.06 0.00 0.00 -0.53 0.00 0.00 39.78 41.31 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qnd n ALA 121 N -0.77 2.26 -1.85 5.20 0.00 -1.26 -5.02 120.51 119.07 1qnd n ALA 121 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1qnd n ALA 121 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1qnd n ALA 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qnd n LYS 122 N -2.74 -2.17 -0.91 0.00 0.00 -1.26 -5.02 118.16 106.06 1qnd n LYS 122 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 58.31 60.19 1qnd n LYS 122 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.35 1qnd n LYS 122 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29