#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 1.06 0.00 6.43 2.88 -1.26 -4.48 113.62 118.25 1qnd n SER 2 Ca 0.00 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1qnd n SER 2 Cb 0.00 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qnd n ALA 3 N 14.44 0.15 -3.00 -1.46 0.00 -1.26 -5.15 120.51 124.23 1qnd n ALA 3 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1qnd n ALA 3 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.13 0.00 -1.59 0.00 7.64 -1.26 -4.32 113.62 113.96 1qnd n SER 4 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1qnd n SER 4 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 -5.22 -0.06 6.43 8.00 -1.26 -4.59 116.55 119.85 1qnd n ASP 5 Ca 0.00 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1qnd n ASP 5 Cb 0.00 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 36.79 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 -0.82 0.64 3.94 0.44 0.00 -1.26 -5.01 105.19 103.11 1qnd n GLY 6 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 1.51 -0.10 1.61 0.08 -1.26 -4.86 117.98 114.96 1qnd s PHE 7 Ca 0.00 0.28 0.30 0.00 0.12 0.00 0.00 56.93 57.63 1qnd s PHE 7 Cb 0.00 -4.14 1.26 0.00 -0.57 0.00 0.00 43.02 39.57 1qnd s PHE 7 CO 0.00 -2.69 1.89 -0.22 -0.10 0.00 0.00 175.22 174.10 1qnd h LYS 8 N -1.66 0.00 -0.78 0.44 3.64 -1.98 -0.47 116.57 115.76 1qnd h LYS 8 Ca -0.44 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.17 1qnd h LYS 8 Cb 1.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1qnd h LYS 8 CO 0.36 0.00 0.59 0.00 -2.27 0.00 0.00 179.45 178.13 1qnd h ALA 9 N 2.10 2.70 -1.00 5.00 0.00 -1.92 -2.68 119.26 123.46 1qnd h ALA 9 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1qnd h ALA 9 Cb 0.43 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1qnd h ALA 9 CO 0.00 -0.99 0.66 -0.97 0.00 0.00 0.00 179.25 177.95 1qnd h ASN 10 N 0.00 1.10 0.18 0.00 -0.73 -1.41 0.93 115.58 115.65 1qnd h ASN 10 Ca 0.37 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 1qnd h ASN 10 Cb 1.54 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.89 1qnd h ASN 10 CO -0.00 0.75 -0.09 -0.07 -0.37 0.00 0.00 177.43 177.65 1qnd h LEU 11 N 1.27 -0.20 -0.26 0.34 -0.00 -1.66 -3.05 115.31 111.75 1qnd h LEU 11 Ca 0.40 -0.06 -0.10 0.00 -0.00 0.00 0.00 57.88 58.13 1qnd h LEU 11 Cb 0.01 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1qnd h LEU 11 CO -0.13 -0.08 -0.23 0.58 -0.00 0.00 0.00 178.44 178.59 1qnd h VAL 12 N -0.32 1.31 0.00 1.22 2.07 -1.42 -3.16 116.25 115.96 1qnd h VAL 12 Ca -0.02 -1.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.01 1qnd h VAL 12 Cb 0.24 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1qnd h VAL 12 CO 0.04 0.44 -0.46 -0.26 0.02 0.00 0.00 177.57 177.35 1qnd h PHE 13 N 0.33 0.00 0.00 1.57 0.04 -0.94 -3.10 116.94 114.84 1qnd h PHE 13 Ca 0.04 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1qnd h PHE 13 Cb 0.78 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 1qnd h PHE 13 CO 0.07 0.46 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.75 1qnd h LYS 14 N 0.00 0.00 -0.35 1.51 3.64 -1.50 0.29 116.57 120.17 1qnd h LYS 14 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1qnd h LYS 14 Cb 1.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1qnd h LYS 14 CO 0.06 0.27 0.20 0.93 -2.27 0.00 0.00 179.45 178.65 1qnd h GLU 15 N 0.00 0.47 -0.44 1.90 4.39 -1.54 0.36 114.58 119.73 1qnd h GLU 15 Ca -0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1qnd h GLU 15 Cb 0.79 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1qnd h GLU 15 CO 0.04 0.37 0.27 0.82 -1.16 0.00 0.00 179.01 179.34 1qnd h ILE 16 N 0.44 1.14 0.15 3.13 2.04 -1.37 -2.24 117.51 120.80 1qnd h ILE 16 Ca 0.12 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1qnd h ILE 16 Cb 0.03 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1qnd h ILE 16 CO -0.02 0.14 -0.30 -0.08 0.00 0.00 0.00 178.15 177.89 1qnd h GLU 17 N 0.58 -0.52 -0.34 2.37 4.81 -0.91 -2.58 114.58 117.99 1qnd h GLU 17 Ca 0.16 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1qnd h GLU 17 Cb -0.01 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 1qnd h GLU 17 CO -0.03 -0.35 -0.12 0.87 -0.73 0.00 0.00 179.01 178.66 1qnd h LYS 18 N -0.54 -0.04 0.00 1.92 1.57 0.23 0.16 116.57 119.88 1qnd h LYS 18 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1qnd h LYS 18 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1qnd h LYS 18 CO -0.15 -0.03 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.28 1qnd h LYS 19 N -0.04 0.00 -0.07 3.15 1.63 -1.41 -0.33 116.57 119.50 1qnd h LYS 19 Ca 0.17 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 1qnd h LYS 19 Cb 0.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1qnd h LYS 19 CO -0.38 0.20 -0.67 -0.07 -3.45 0.00 0.00 179.45 175.08 1qnd h LEU 20 N 0.00 0.33 0.19 5.20 3.38 -0.35 -2.34 115.31 121.72 1qnd h LEU 20 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1qnd h LEU 20 Cb 0.43 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1qnd h LEU 20 CO 0.03 0.90 -0.09 -0.33 0.09 0.00 0.00 178.44 179.04 1qnd h GLU 21 N 0.20 -0.24 -0.55 1.13 4.39 0.10 0.03 114.58 119.65 1qnd h GLU 21 Ca -0.02 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1qnd h GLU 21 Cb 1.21 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 1qnd h GLU 21 CO 0.11 0.00 0.30 0.93 -1.16 0.00 0.00 179.01 179.19 1qnd h GLU 22 N -0.46 0.56 0.00 2.33 5.08 -1.06 -3.39 114.58 117.64 1qnd h GLU 22 Ca -0.03 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1qnd h GLU 22 Cb 0.35 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.34 1qnd h GLU 22 CO 0.04 0.37 -0.29 -1.91 -1.00 0.00 0.00 179.01 176.22 1qnd n GLU 23 N -4.83 0.69 0.25 2.33 2.13 -0.89 -5.05 120.64 115.26 1qnd n GLU 23 Ca 0.05 -1.49 0.08 0.00 0.66 0.00 0.00 57.16 56.45 1qnd n GLU 23 Cb 0.12 -0.83 0.61 0.00 0.27 0.00 0.00 31.44 31.61 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 3.00 0.00 -0.66 8.31 0.00 -1.06 -2.58 103.07 110.07 1qnd h GLY 24 Ca -0.17 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.51 1qnd h GLY 24 CO 0.11 0.00 0.73 1.05 0.00 0.00 0.00 176.54 178.42 1qnd h GLU 25 N 0.00 0.23 0.00 4.80 -0.00 -1.77 0.24 114.58 118.08 1qnd h GLU 25 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1qnd h GLU 25 Cb 0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1qnd h GLU 25 CO 0.01 0.15 -0.12 0.37 -0.00 0.00 0.00 179.01 179.43 1qnd h GLN 26 N 0.23 0.00 0.04 1.06 4.15 -1.78 -3.09 115.11 115.72 1qnd h GLN 26 Ca 0.73 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.80 1qnd h GLN 26 Cb 2.03 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.67 1qnd h GLN 26 CO -0.42 0.00 -2.05 1.19 -1.93 0.00 0.00 178.83 175.62 1qnd n PHE 27 N -2.55 0.76 -0.21 3.99 3.01 0.58 -4.16 117.46 118.88 1qnd n PHE 27 Ca 0.05 0.21 0.01 0.00 1.01 0.00 0.00 57.45 58.73 1qnd n PHE 27 Cb 0.47 -1.12 0.12 0.00 -0.01 0.00 0.00 39.48 38.95 1qnd n PHE 27 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1qnd h VAL 28 N 0.02 0.67 0.00 -4.37 2.07 -0.79 -0.88 116.25 112.97 1qnd h VAL 28 Ca -0.42 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1qnd h VAL 28 Cb 2.04 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1qnd h VAL 28 CO 0.05 0.06 -0.09 0.07 0.02 0.00 0.00 177.57 177.68 1qnd h LYS 29 N 0.33 0.00 0.00 1.57 2.10 -1.70 -0.33 116.57 118.54 1qnd h LYS 29 Ca 0.33 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.85 1qnd h LYS 29 Cb 0.48 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1qnd h LYS 29 CO -0.38 0.09 -0.65 0.87 -2.00 0.00 0.00 179.45 177.38 1qnd h LYS 30 N 0.00 0.00 0.00 0.07 1.79 -1.33 -3.37 116.57 113.73 1qnd h LYS 30 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1qnd h LYS 30 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1qnd h LYS 30 CO 0.01 0.65 -1.21 -0.89 -1.08 0.00 0.00 179.45 176.94 1qnd n ILE 31 N -3.65 0.20 -3.01 1.86 -0.00 -1.21 -3.98 119.36 109.57 1qnd n ILE 31 Ca -0.01 -0.05 -0.12 0.00 -0.00 0.00 0.00 62.75 62.57 1qnd n ILE 31 Cb 0.67 -1.53 0.06 0.00 -0.00 0.00 0.00 39.64 38.84 1qnd n ILE 31 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qnd n GLY 32 N 2.78 -0.11 3.62 7.39 0.00 -0.14 -4.75 105.19 113.98 1qnd n GLY 32 Ca -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.89 -0.26 0.26 -0.02 0.00 0.01 -4.82 107.32 98.60 1qnd s GLY 33 Ca 0.03 1.71 -0.30 0.00 0.00 0.00 0.00 44.72 46.17 1qnd s GLY 33 CO 0.50 0.56 1.09 -0.42 0.00 0.00 0.00 173.10 174.84 1qnd s ILE 34 N -2.22 3.60 0.26 0.90 1.09 -1.26 -2.64 121.20 120.92 1qnd s ILE 34 Ca 0.11 1.56 0.06 0.00 -1.10 0.00 0.00 60.65 61.28 1qnd s ILE 34 Cb -0.01 -3.99 -0.06 0.00 -1.06 0.00 0.00 42.46 37.35 1qnd s ILE 34 CO -0.03 0.35 -0.05 0.72 -0.10 0.00 0.00 174.94 175.83 1qnd s PHE 35 N -0.97 1.83 0.20 3.97 -0.12 -0.76 -1.22 117.98 120.91 1qnd s PHE 35 Ca 0.45 -0.74 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 1qnd s PHE 35 Cb -0.31 -1.03 -0.04 0.00 -0.63 0.00 0.00 43.02 41.00 1qnd s PHE 35 CO 0.39 0.21 0.00 0.00 -0.05 0.00 0.00 175.22 175.77 1qnd s ALA 36 N -3.11 3.19 -0.32 1.99 0.00 -0.60 -1.09 121.76 121.81 1qnd s ALA 36 Ca 0.28 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1qnd s ALA 36 Cb 0.04 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.29 1qnd s ALA 36 CO 0.11 0.41 0.03 -0.06 0.00 0.00 0.00 175.76 176.24 1qnd s PHE 37 N -1.90 3.32 -0.79 0.00 0.08 -0.13 -1.47 117.98 117.09 1qnd s PHE 37 Ca 0.28 -1.98 -0.22 0.00 0.12 0.00 0.00 56.93 55.13 1qnd s PHE 37 Cb -0.08 -2.28 0.08 0.00 -0.57 0.00 0.00 43.02 40.17 1qnd s PHE 37 CO 0.19 -0.83 1.09 0.21 -0.10 0.00 0.00 175.22 175.78 1qnd s LYS 38 N 1.23 3.32 -0.32 0.44 2.20 -0.62 -3.41 119.74 122.57 1qnd s LYS 38 Ca -0.03 -1.10 -0.25 0.00 -0.36 0.00 0.00 55.97 54.23 1qnd s LYS 38 Cb -0.20 -4.55 0.01 0.00 -1.51 0.00 0.00 37.83 31.57 1qnd s LYS 38 CO -0.02 -1.87 0.86 0.08 -0.36 0.00 0.00 175.35 174.04 1qnd s VAL 39 N 3.86 4.71 0.52 4.02 1.01 -0.49 -3.40 120.40 130.64 1qnd s VAL 39 Ca 0.29 1.28 0.07 0.00 0.00 0.00 0.00 61.98 63.61 1qnd s VAL 39 Cb -0.11 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1qnd s VAL 39 CO 0.02 -0.33 0.45 -1.59 0.00 0.00 0.00 175.10 173.65 1qnd s LYS 40 N 3.15 2.31 -1.42 2.72 -2.85 -1.25 -0.93 119.74 121.48 1qnd s LYS 40 Ca 0.35 -1.86 -0.02 0.00 -1.00 0.00 0.00 55.97 53.44 1qnd s LYS 40 Cb -0.13 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 1qnd s LYS 40 CO 0.14 -0.56 0.36 -3.47 0.10 0.00 0.00 175.35 171.92 1qnd n ASP 41 N -1.78 -0.39 -4.61 0.03 2.03 -0.80 -0.54 116.55 110.49 1qnd n ASP 41 Ca 0.02 -1.07 -0.29 0.00 0.52 0.00 0.00 54.79 53.96 1qnd n ASP 41 Cb 0.63 -2.73 0.20 0.00 -0.72 0.00 0.00 41.12 38.50 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 -4.31 1.60 -0.83 0.27 0.00 -0.42 -3.98 107.32 99.65 1qnd s GLY 42 Ca 0.04 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.57 1qnd s GLY 42 CO 0.91 0.66 2.54 -1.05 0.00 0.00 0.00 173.10 176.16 1qnd n PRO 43 N -4.43 0.36 0.00 2.90 -0.02 -1.26 0.02 135.00 132.57 1qnd n PRO 43 Ca 0.07 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1qnd n PRO 43 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1qnd n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qnd n GLY 44 N 6.27 3.25 0.00 -1.23 0.00 -1.26 -4.82 105.19 107.39 1qnd n GLY 44 Ca 0.56 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.33 1.84 -0.02 0.00 0.10 -5.12 105.19 102.33 1qnd n GLY 45 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.48 -4.53 1.61 4.76 -1.25 -3.60 118.16 112.67 1qnd n LYS 46 Ca 0.00 -0.90 -0.25 0.00 -2.87 0.00 0.00 58.31 54.29 1qnd n LYS 46 Cb 0.00 -0.91 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 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 -4.28 1.29 0.12 1.97 -1.05 -1.26 -1.30 118.70 114.18 1qnd s GLU 47 Ca 0.38 -0.98 0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1qnd s GLU 47 Cb -0.04 -1.43 -0.04 0.00 -0.44 0.00 0.00 34.13 32.17 1qnd s GLU 47 CO 0.29 0.36 -0.02 0.00 0.95 0.00 0.00 175.26 176.84 1qnd s ALA 48 N -0.90 0.98 0.02 -0.84 0.00 -0.11 -4.38 121.76 116.54 1qnd s ALA 48 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1qnd s ALA 48 Cb -0.09 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1qnd s ALA 48 CO 0.02 -0.32 -0.03 0.99 0.00 0.00 0.00 175.76 176.42 1qnd s THR 49 N -3.75 0.17 0.23 0.00 2.01 -1.26 -1.39 115.64 111.64 1qnd s THR 49 Ca 0.16 -0.77 0.11 0.00 0.31 0.00 0.00 61.69 61.50 1qnd s THR 49 Cb 0.06 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 1qnd s THR 49 CO -0.02 -0.38 -0.16 0.26 -0.69 0.00 0.00 174.62 173.62 1qnd s TRP 50 N -1.18 2.43 -0.06 4.92 0.51 -1.22 -3.70 118.94 120.65 1qnd s TRP 50 Ca -0.12 -0.30 0.06 0.00 -2.12 0.00 0.00 56.10 53.62 1qnd s TRP 50 Cb -0.08 -1.14 -0.01 0.00 -0.81 0.00 0.00 33.47 31.43 1qnd s TRP 50 CO -0.01 0.59 -0.23 0.08 -0.51 0.00 0.00 176.95 176.87 1qnd s VAL 51 N -2.02 1.91 -0.22 4.03 1.01 -1.24 -0.96 120.40 122.91 1qnd s VAL 51 Ca 0.26 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1qnd s VAL 51 Cb -0.07 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.74 1qnd s VAL 51 CO 0.14 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.99 1qnd s VAL 52 N -0.08 1.76 -1.18 2.92 1.01 -0.25 -2.56 120.40 122.02 1qnd s VAL 52 Ca -0.05 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 1qnd s VAL 52 Cb -0.14 -1.87 0.19 0.00 0.00 0.00 0.00 36.38 34.57 1qnd s VAL 52 CO 0.04 0.08 1.36 -0.62 0.00 0.00 0.00 175.10 175.96 1qnd s ASP 53 N 1.32 7.13 -0.88 3.32 -1.08 -0.29 -1.83 116.67 124.35 1qnd s ASP 53 Ca -0.04 -3.12 -0.01 0.00 -0.52 0.00 0.00 52.55 48.86 1qnd s ASP 53 Cb -0.18 -2.36 0.34 0.00 -1.46 0.00 0.00 42.92 39.27 1qnd s ASP 53 CO -0.07 -0.65 1.89 1.33 0.52 0.00 0.00 175.17 178.20 1qnd n VAL 54 N 4.19 4.37 0.08 1.11 0.24 -1.08 -2.86 118.33 124.38 1qnd n VAL 54 Ca 0.34 -4.92 0.00 0.00 -2.04 0.00 0.00 64.34 57.71 1qnd n VAL 54 Cb 0.42 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 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 -0.37 0.00 -3.62 7.34 0.00 -1.26 -0.81 118.16 119.45 1qnd n LYS 55 Ca 0.50 0.00 -0.37 0.00 0.00 0.00 0.00 58.31 58.44 1qnd n LYS 55 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.23 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 -4.01 6.67 0.85 3.14 0.01 -1.26 -4.86 114.94 115.48 1qnd s ASN 56 Ca 0.00 0.80 0.00 0.00 -0.71 0.00 0.00 52.86 52.95 1qnd s ASN 56 Cb 0.00 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.47 1qnd s ASN 56 CO 0.00 0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.54 1qnd n GLY 57 N 1.79 2.58 0.23 0.66 0.00 -1.26 -0.69 105.19 108.50 1qnd n GLY 57 Ca -0.15 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 12.74 1.31 0.00 1.61 5.02 -1.26 -4.84 118.16 132.74 1qnd n LYS 58 Ca 0.00 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1qnd n LYS 58 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 1.09 -2.41 3.63 0.72 0.00 0.13 -2.50 105.19 105.84 1qnd n GLY 59 Ca 0.21 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.51 -0.16 -0.52 1.61 0.01 -1.14 -4.68 113.70 105.31 1qnd s SER 60 Ca 0.00 -0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 1qnd s SER 60 Cb 0.00 0.28 0.14 0.00 0.21 0.00 0.00 66.02 66.65 1qnd s SER 60 CO 0.00 -0.49 0.31 -0.69 0.41 0.00 0.00 173.24 172.78 1qnd s VAL 61 N -2.76 3.31 -0.64 3.43 1.01 -1.26 -1.14 120.40 122.35 1qnd s VAL 61 Ca 0.11 -2.70 -0.27 0.00 0.00 0.00 0.00 61.98 59.12 1qnd s VAL 61 Cb 0.01 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1qnd s VAL 61 CO -0.03 -0.79 1.55 -0.76 0.00 0.00 0.00 175.10 175.07 1qnd s LEU 62 N 0.34 3.27 0.13 3.92 1.43 -1.06 -4.93 118.68 121.77 1qnd s LEU 62 Ca 0.14 0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 1qnd s LEU 62 Cb -0.22 -2.67 -0.08 0.00 0.03 0.00 0.00 46.19 43.25 1qnd s LEU 62 CO -0.03 -2.02 1.32 -2.16 0.23 0.00 0.00 176.35 173.68 1qnd s PRO 63 N 6.21 4.37 -0.74 1.29 0.04 -1.26 -2.79 135.00 142.12 1qnd s PRO 63 Ca 0.52 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1qnd s PRO 63 Cb -0.11 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1qnd s PRO 63 CO 0.20 -0.34 0.00 0.09 0.04 0.00 0.00 177.00 176.99 1qnd n ASN 64 N 3.58 -2.36 -4.77 6.66 3.02 -1.24 -4.84 115.26 115.30 1qnd n ASN 64 Ca 0.09 0.24 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 1qnd n ASN 64 Cb 0.43 -2.24 -0.05 0.00 -0.61 0.00 0.00 39.78 37.31 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 -1.81 7.08 0.30 6.41 0.15 -1.12 -4.92 113.70 119.78 1qnd s SER 65 Ca 0.00 2.03 0.26 0.00 0.70 0.00 0.00 55.95 58.94 1qnd s SER 65 Cb 0.00 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.66 1qnd s SER 65 CO 0.00 -0.26 1.76 -0.78 1.20 0.00 0.00 173.24 175.16 1qnd h ASP 66 N 3.08 0.00 -3.77 5.45 3.58 -1.91 -3.46 116.42 119.39 1qnd h ASP 66 Ca -0.47 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.42 1qnd h ASP 66 Cb 1.21 0.00 0.14 0.00 1.72 0.00 0.00 39.33 42.39 1qnd h ASP 66 CO 0.64 0.00 0.50 0.29 -2.88 0.00 0.00 179.24 177.79 1qnd n LYS 67 N -2.42 1.70 -0.18 0.28 5.02 -1.26 -4.97 118.16 116.32 1qnd n LYS 67 Ca 0.03 0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 56.75 1qnd n LYS 67 Cb 0.32 -2.45 0.18 0.00 -0.02 0.00 0.00 35.03 33.07 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qnd n LYS 68 N -0.56 -3.72 -4.20 1.97 2.85 -1.26 -5.03 118.16 108.21 1qnd n LYS 68 Ca 0.09 -0.93 -0.12 0.00 -1.05 0.00 0.00 58.31 56.30 1qnd n LYS 68 Cb 0.43 -1.18 -0.10 0.00 -0.65 0.00 0.00 35.03 33.53 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 -2.14 1.15 0.09 0.58 0.00 -1.26 -4.95 121.76 115.23 1qnd s ALA 69 Ca 0.42 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 1qnd s ALA 69 Cb -0.07 1.12 -0.19 0.00 0.00 0.00 0.00 23.12 23.97 1qnd s ALA 69 CO 0.35 -0.52 1.22 -0.44 0.00 0.00 0.00 175.76 176.37 1qnd h ASP 70 N 2.68 0.68 -2.21 0.00 5.19 -1.52 -3.49 116.42 117.75 1qnd h ASP 70 Ca -0.36 -0.58 -0.08 0.00 -0.62 0.00 0.00 57.03 55.39 1qnd h ASP 70 Cb 1.23 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1qnd h ASP 70 CO 0.57 1.39 -0.02 0.00 -3.12 0.00 0.00 179.24 178.06 1qnd n THR 72 N -0.19 0.00 -3.96 0.00 -1.04 -1.26 -1.56 114.28 106.27 1qnd n THR 72 Ca -0.00 -0.73 -0.10 0.00 -2.04 0.00 0.00 64.05 61.18 1qnd n THR 72 Cb 0.19 0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 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 -2.15 0.07 -0.11 12.58 2.07 -0.54 -3.98 121.20 129.14 1qnd s ILE 73 Ca 0.08 -1.39 0.01 0.00 -1.41 0.00 0.00 60.65 57.95 1qnd s ILE 73 Cb 0.00 -1.83 0.02 0.00 0.13 0.00 0.00 42.46 40.78 1qnd s ILE 73 CO 0.06 -0.31 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.76 1qnd s THR 74 N -3.97 1.36 -0.16 4.00 2.01 -1.26 -1.59 115.64 116.04 1qnd s THR 74 Ca 0.17 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 1qnd s THR 74 Cb 0.03 -1.27 0.05 0.00 0.01 0.00 0.00 72.50 71.32 1qnd s THR 74 CO -0.00 0.42 0.42 0.00 -0.69 0.00 0.00 174.62 174.76 1qnd s MET 75 N 1.15 0.46 1.02 4.92 0.23 -1.22 -4.36 119.30 121.50 1qnd s MET 75 Ca -0.04 0.66 -0.13 0.00 -1.03 0.00 0.00 55.69 55.15 1qnd s MET 75 Cb -0.14 0.15 0.14 0.00 -1.53 0.00 0.00 34.83 33.44 1qnd s MET 75 CO -0.03 -0.09 0.68 0.00 -2.03 0.00 0.00 175.02 173.54 1qnd n ALA 76 N 3.33 -2.42 -0.01 3.16 0.00 -1.26 -3.83 120.51 119.47 1qnd n ALA 76 Ca -0.17 -0.84 -0.09 0.00 0.00 0.00 0.00 53.44 52.35 1qnd n ALA 76 Cb 0.56 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 -1.99 -0.52 -0.71 0.00 3.58 -0.95 0.22 116.42 116.05 1qnd h ASP 77 Ca -0.49 0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.20 1qnd h ASP 77 Cb 1.30 0.25 -0.05 0.00 1.72 0.00 0.00 39.33 42.56 1qnd h ASP 77 CO 0.40 -0.21 0.48 -1.28 -2.88 0.00 0.00 179.24 175.75 1qnd h SER 78 N -0.19 0.35 0.28 2.28 0.87 -1.84 -0.77 113.55 114.53 1qnd h SER 78 Ca 0.10 0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.35 1qnd h SER 78 Cb 0.35 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1qnd h SER 78 CO -0.27 0.19 -1.90 -0.67 -0.53 0.00 0.00 176.83 173.65 1qnd n ASP 79 N -4.47 1.50 0.23 6.23 -0.08 -0.37 -2.35 116.55 117.24 1qnd n ASP 79 Ca 0.13 0.28 -0.15 0.00 -1.51 0.00 0.00 54.79 53.55 1qnd n ASP 79 Cb 0.51 -0.44 -0.08 0.00 2.34 0.00 0.00 41.12 43.45 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 0.04 -0.52 -0.25 -0.67 0.04 -0.31 -3.16 116.94 112.11 1qnd h PHE 80 Ca -0.37 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.42 1qnd h PHE 80 Cb 2.03 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 40.34 1qnd h PHE 80 CO 0.04 -0.25 0.17 1.25 -0.60 0.00 0.00 178.31 178.92 1qnd h LEU 81 N -0.70 0.16 -0.95 1.54 5.85 -1.25 -2.92 115.31 117.03 1qnd h LEU 81 Ca -0.06 -0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.94 1qnd h LEU 81 Cb 0.50 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.35 1qnd h LEU 81 CO 0.09 0.11 0.44 0.00 -0.34 0.00 0.00 178.44 178.75 1qnd h ALA 82 N 1.86 1.67 -1.65 1.25 0.00 -1.43 -3.26 119.26 117.70 1qnd h ALA 82 Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1qnd h ALA 82 Cb 0.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qnd h ALA 82 CO -0.02 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.02 1qnd n LEU 83 N -5.10 0.00 -2.35 0.00 4.32 -1.10 -0.25 117.00 112.53 1qnd n LEU 83 Ca 0.27 0.72 -0.15 0.00 -0.02 0.00 0.00 56.01 56.84 1qnd n LEU 83 Cb 0.84 -0.22 -0.12 0.00 -1.62 0.00 0.00 43.42 42.30 1qnd n LEU 83 CO 0.09 -0.22 1.78 1.15 -1.22 0.00 0.00 177.39 178.96 1qnd n MET 84 N -1.21 1.97 0.00 3.23 0.00 -1.23 -3.43 117.12 116.45 1qnd n MET 84 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 57.70 56.63 1qnd n MET 84 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.14 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 2.86 0.00 0.00 3.17 -2.24 -1.23 -4.75 114.28 112.09 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 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.30 0.47 0.13 3.38 0.00 -1.17 -4.93 105.19 102.76 1qnd n GLY 86 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.20 -2.79 1.61 1.63 -1.81 -3.51 116.57 111.50 1qnd h LYS 87 Ca 0.00 0.01 0.28 0.00 -0.85 0.00 0.00 60.65 60.09 1qnd h LYS 87 Cb 0.00 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 31.57 1qnd h LYS 87 CO 0.00 0.20 -0.69 -1.33 -3.45 0.00 0.00 179.45 174.18 1qnd n MET 88 N -4.98 -2.34 -2.66 1.90 2.81 0.66 -4.98 117.12 107.53 1qnd n MET 88 Ca -0.09 1.76 -0.03 0.00 -1.81 0.00 0.00 57.70 57.53 1qnd n MET 88 Cb 0.25 -2.93 0.03 0.00 -0.71 0.00 0.00 33.22 29.87 1qnd n MET 88 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1qnd n ASN 89 N -4.26 -1.14 -4.77 7.83 3.02 -1.26 -4.79 115.26 109.90 1qnd n ASN 89 Ca -0.03 -1.69 -0.37 0.00 -0.03 0.00 0.00 54.58 52.46 1qnd n ASN 89 Cb 0.63 1.05 0.01 0.00 -0.61 0.00 0.00 39.78 40.86 1qnd n ASN 89 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1qnd s PRO 90 N 0.03 3.49 0.00 3.52 0.04 -1.26 -2.83 135.00 137.99 1qnd s PRO 90 Ca 0.10 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1qnd s PRO 90 Cb 0.15 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1qnd s PRO 90 CO -0.09 -0.79 0.00 0.94 0.04 0.00 0.00 177.00 177.10 1qnd n GLN 91 N -0.83 0.00 0.11 4.56 -0.06 -1.26 -4.73 117.38 115.17 1qnd n GLN 91 Ca 0.09 0.00 0.20 0.00 -2.00 0.00 0.00 57.00 55.29 1qnd n GLN 91 Cb 0.48 -2.35 0.69 0.00 -4.06 0.00 0.00 30.24 25.00 1qnd n GLN 91 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1qnd h SER 92 N 0.00 0.00 0.15 1.69 0.87 -1.95 -1.30 113.55 113.01 1qnd h SER 92 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1qnd h SER 92 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1qnd h SER 92 CO 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 176.83 176.24 1qnd h ALA 93 N 1.26 1.51 0.00 6.23 0.00 -1.85 0.15 119.26 126.56 1qnd h ALA 93 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1qnd h ALA 93 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1qnd h ALA 93 CO -0.00 0.08 -0.34 0.27 0.00 0.00 0.00 179.25 179.26 1qnd h PHE 94 N 0.00 0.00 0.04 0.00 -5.15 -1.59 -1.27 116.94 108.97 1qnd h PHE 94 Ca -0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1qnd h PHE 94 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.31 1qnd h PHE 94 CO 0.00 0.92 -0.10 0.35 -2.00 0.00 0.00 178.31 177.49 1qnd h PHE 95 N -1.00 -0.24 0.00 6.09 3.04 -1.19 -3.20 116.94 120.44 1qnd h PHE 95 Ca -0.09 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1qnd h PHE 95 Cb 0.91 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1qnd h PHE 95 CO 0.17 -0.15 0.00 1.04 -2.02 0.00 0.00 178.31 177.35 1qnd n GLN 96 N -5.22 0.00 0.00 1.11 6.02 -0.09 -5.01 117.38 114.20 1qnd n GLN 96 Ca -0.06 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 1qnd n GLN 96 Cb 0.14 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1qnd n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qnd n GLY 97 N 0.71 -1.05 0.32 1.08 0.00 -1.21 -5.03 105.19 100.02 1qnd n GLY 97 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.78 -3.19 1.61 5.02 -0.55 -5.05 118.16 116.77 1qnd n LYS 98 Ca 0.00 -0.64 -0.24 0.00 -2.02 0.00 0.00 58.31 55.41 1qnd n LYS 98 Cb 0.00 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1qnd n LYS 98 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1qnd n LEU 99 N -0.55 -5.06 -4.66 -0.35 7.94 -0.76 -4.85 117.00 108.71 1qnd n LEU 99 Ca 0.07 0.20 -0.29 0.00 -1.11 0.00 0.00 56.01 54.88 1qnd n LEU 99 Cb 0.42 -2.44 0.21 0.00 0.53 0.00 0.00 43.42 42.14 1qnd n LEU 99 CO 0.34 -1.16 0.66 -1.59 -1.11 0.00 0.00 177.39 174.52 1qnd s LYS 100 N -2.46 -0.40 0.34 1.96 -2.85 -1.13 -4.30 119.74 110.90 1qnd s LYS 100 Ca 0.31 0.09 0.05 0.00 -1.00 0.00 0.00 55.97 55.42 1qnd s LYS 100 Cb -0.05 -1.68 -0.07 0.00 -2.06 0.00 0.00 37.83 33.97 1qnd s LYS 100 CO 0.80 -3.19 0.02 0.42 0.10 0.00 0.00 175.35 173.50 1qnd s ILE 101 N -3.10 1.51 0.00 3.79 1.09 -1.26 -4.75 121.20 118.48 1qnd s ILE 101 Ca 0.69 -2.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.21 1qnd s ILE 101 Cb -0.12 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.50 1qnd s ILE 101 CO 0.56 -0.06 0.00 0.35 -0.10 0.00 0.00 174.94 175.68 1qnd n THR 102 N -0.74 0.00 0.00 2.92 -2.24 -1.26 -4.63 114.28 108.33 1qnd n THR 102 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1qnd n THR 102 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.00 3.11 0.21 3.38 0.00 -1.26 -4.45 105.19 106.17 1qnd n GLY 103 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.47 1.61 2.35 -1.96 -3.49 115.58 113.62 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 0.27 0.00 0.80 -1.65 0.00 0.00 177.43 176.85 1qnd n MET 105 N -4.11 0.00 0.00 0.81 1.56 -1.26 -4.88 117.12 109.23 1qnd n MET 105 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1qnd n MET 105 Cb 0.33 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.70 1qnd n MET 105 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1qnd n GLY 106 N 0.00 1.54 0.39 -5.12 0.00 -1.26 -4.73 105.19 96.00 1qnd n GLY 106 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -1.45 -0.09 0.99 -0.00 -1.90 -2.45 115.31 110.41 1qnd h LEU 107 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1qnd h LEU 107 Cb 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1qnd h LEU 107 CO 0.00 -0.39 -0.00 0.00 -0.00 0.00 0.00 178.44 178.05 1qnd n ALA 108 N -2.95 2.66 -0.07 0.17 0.00 -1.26 -2.83 120.51 116.24 1qnd n ALA 108 Ca -0.05 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 1qnd n ALA 108 Cb 0.31 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.15 1qnd n ALA 108 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1qnd h MET 109 N 0.22 0.06 0.00 0.00 2.86 -1.83 -3.42 114.93 112.82 1qnd h MET 109 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1qnd h MET 109 Cb 0.08 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1qnd h MET 109 CO 0.00 1.05 0.00 1.17 1.06 0.00 0.00 176.91 180.19 1qnd n LYS 110 N -4.35 0.00 -3.53 1.72 3.00 -1.18 -4.95 118.16 108.87 1qnd n LYS 110 Ca -0.24 0.35 -0.28 0.00 -0.00 0.00 0.00 58.31 58.14 1qnd n LYS 110 Cb 0.68 -0.96 -0.05 0.00 0.00 0.00 0.00 35.03 34.70 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 -1.55 -0.54 0.00 3.14 -0.00 -1.13 -4.90 117.00 112.02 1qnd n LEU 111 Ca 0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.24 1qnd n LEU 111 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 1qnd n LEU 111 CO 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 177.39 177.45 1qnd n GLN 112 N -2.96 0.00 0.27 1.47 6.02 -1.26 -4.45 117.38 116.47 1qnd n GLN 112 Ca 0.08 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.24 1qnd n GLN 112 Cb 0.33 0.00 0.73 0.00 1.02 0.00 0.00 30.24 32.33 1qnd n GLN 112 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1qnd h ASN 113 N 0.00 0.00 0.15 1.08 -0.00 -1.91 -1.41 115.58 113.50 1qnd h ASN 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1qnd h ASN 113 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1qnd h ASN 113 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.43 177.32 1qnd n LEU 114 N -2.98 0.48 -3.15 0.34 7.94 -1.26 -3.33 117.00 115.04 1qnd n LEU 114 Ca 0.00 0.70 -0.19 0.00 -1.11 0.00 0.00 56.01 55.41 1qnd n LEU 114 Cb 0.26 -0.73 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 1qnd n LEU 114 CO 0.25 -0.79 -0.20 0.00 -1.11 0.00 0.00 177.39 175.54 1qnd n GLN 115 N -2.12 0.90 -0.25 1.96 3.00 -0.53 -4.76 117.38 115.58 1qnd n GLN 115 Ca -0.00 -3.21 0.03 0.00 -0.01 0.00 0.00 57.00 53.81 1qnd n GLN 115 Cb 0.07 -1.53 -0.01 0.00 0.00 0.00 0.00 30.24 28.77 1qnd n GLN 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1qnd n LEU 116 N 0.61 0.00 -3.67 1.08 -0.00 -1.21 -4.53 117.00 109.28 1qnd n LEU 116 Ca 0.22 0.27 -0.11 0.00 -0.00 0.00 0.00 56.01 56.40 1qnd n LEU 116 Cb 0.63 -0.85 -0.11 0.00 -0.00 0.00 0.00 43.42 43.09 1qnd n LEU 116 CO 0.19 -0.97 -0.03 -1.10 -0.00 0.00 0.00 177.39 175.47 1qnd s GLN 117 N -0.56 0.26 1.01 1.47 -0.21 -1.26 -4.49 119.66 115.89 1qnd s GLN 117 Ca 0.00 0.88 -0.15 0.00 0.02 0.00 0.00 55.36 56.11 1qnd s GLN 117 Cb 0.00 0.14 0.20 0.00 1.00 0.00 0.00 33.01 34.35 1qnd s GLN 117 CO 0.00 -0.25 1.16 -1.25 -2.12 0.00 0.00 175.29 172.83 1qnd s PRO 118 N 2.32 0.28 0.36 2.91 0.04 -1.26 -5.09 135.00 134.56 1qnd s PRO 118 Ca -0.02 0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.17 1qnd s PRO 118 Cb -0.11 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.73 1qnd s PRO 118 CO -0.11 -2.74 0.48 0.41 0.04 0.00 0.00 177.00 175.08 1qnd n GLY 119 N -1.97 1.98 3.56 0.56 0.00 -1.26 -5.14 105.19 102.92 1qnd n GLY 119 Ca 0.10 -2.19 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 1qnd n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnd s ASN 120 N -3.20 -0.91 -0.11 1.61 2.47 -1.26 -5.08 114.94 108.45 1qnd s ASN 120 Ca 0.37 1.42 -0.05 0.00 0.42 0.00 0.00 52.86 55.02 1qnd s ASN 120 Cb -0.03 1.79 0.02 0.00 -1.45 0.00 0.00 41.25 41.58 1qnd s ASN 120 CO 0.23 -0.23 0.10 0.00 -3.72 0.00 0.00 177.10 173.49 1qnd n ALA 121 N 5.02 -2.52 -0.66 1.71 0.00 -1.26 -4.90 120.51 117.91 1qnd n ALA 121 Ca -0.15 1.04 0.04 0.00 0.00 0.00 0.00 53.44 54.37 1qnd n ALA 121 Cb 0.52 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 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 1.83 -1.64 0.00 0.00 0.00 -1.26 -5.35 118.16 111.74 1qnd n LYS 122 Ca -0.17 1.31 0.04 0.00 0.00 0.00 0.00 58.31 59.49 1qnd n LYS 122 Cb 0.32 -1.74 0.22 0.00 0.00 0.00 0.00 35.03 33.84 1qnd n LYS 122 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87