#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd n SER 2 N 0.00 0.44 -3.50 6.43 7.64 -1.26 -4.51 113.62 118.87 1qnd n SER 2 Ca 0.00 -1.33 -0.19 0.00 1.01 0.00 0.00 58.87 58.36 1qnd n SER 2 Cb 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.88 -2.36 0.03 -0.43 0.00 -1.11 -4.87 120.51 108.88 1qnd n ALA 3 Ca -0.03 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 1qnd n ALA 3 Cb 0.14 -0.55 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 1qnd n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qnd h SER 4 N -0.01 0.41 -2.35 0.00 0.87 -1.11 -3.48 113.55 107.87 1qnd h SER 4 Ca -0.49 -0.93 -0.18 0.00 -1.23 0.00 0.00 61.79 58.96 1qnd h SER 4 Cb 1.06 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 1qnd h SER 4 CO 0.28 1.42 -0.18 0.47 -0.53 0.00 0.00 176.83 178.28 1qnd n ASP 5 N -4.12 -2.57 -1.07 6.23 8.00 -1.26 -4.79 116.55 116.96 1qnd n ASP 5 Ca -0.16 0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.69 1qnd n ASP 5 Cb 0.81 -2.45 0.20 0.00 -0.02 0.00 0.00 41.12 39.66 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 -0.33 1.46 3.77 0.44 0.00 -1.26 -4.90 105.19 104.36 1qnd n GLY 6 Ca -0.09 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.65 2.63 0.63 1.61 0.40 -1.26 -4.92 117.98 115.43 1qnd s PHE 7 Ca 0.36 1.52 0.39 0.00 -0.60 0.00 0.00 56.93 58.60 1qnd s PHE 7 Cb 0.22 -3.40 2.20 0.00 0.51 0.00 0.00 43.02 42.55 1qnd s PHE 7 CO 0.31 -1.80 2.33 -0.22 0.70 0.00 0.00 175.22 176.53 1qnd h LYS 8 N 1.39 0.00 0.00 0.44 3.11 -1.93 -2.33 116.57 117.25 1qnd h LYS 8 Ca -0.50 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 1qnd h LYS 8 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1qnd h LYS 8 CO 0.57 0.00 0.02 0.00 -2.81 0.00 0.00 179.45 177.23 1qnd n ALA 9 N -2.17 1.18 0.00 5.00 0.00 -1.26 -3.72 120.51 119.54 1qnd n ALA 9 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1qnd n ALA 9 Cb 0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1qnd n ALA 9 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1qnd h ASN 10 N 0.00 -0.46 -0.68 0.00 -0.73 -1.76 -2.17 115.58 109.77 1qnd h ASN 10 Ca 0.00 0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.29 1qnd h ASN 10 Cb 0.04 0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 1qnd h ASN 10 CO 0.00 -0.20 0.45 0.17 -0.37 0.00 0.00 177.43 177.48 1qnd h LEU 11 N -0.19 0.71 0.13 0.34 -0.00 -1.87 -2.88 115.31 111.55 1qnd h LEU 11 Ca 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1qnd h LEU 11 Cb 0.32 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 1qnd h LEU 11 CO -0.23 0.49 -0.10 0.58 -0.00 0.00 0.00 178.44 179.18 1qnd h VAL 12 N 0.82 0.79 0.00 0.15 2.07 -1.64 -0.28 116.25 118.16 1qnd h VAL 12 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1qnd h VAL 12 Cb 0.06 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1qnd h VAL 12 CO -0.08 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.00 1qnd n PHE 13 N -5.21 0.87 0.05 1.57 3.72 -1.19 -2.46 117.46 114.82 1qnd n PHE 13 Ca -0.08 0.30 -0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1qnd n PHE 13 Cb 0.13 -0.98 -0.02 0.00 -0.94 0.00 0.00 39.48 37.68 1qnd n PHE 13 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1qnd h LYS 14 N 0.00 0.44 -0.24 -1.08 3.64 -1.05 -3.10 116.57 115.19 1qnd h LYS 14 Ca 0.00 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1qnd h LYS 14 Cb 0.55 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1qnd h LYS 14 CO 0.00 1.06 0.18 0.93 -2.27 0.00 0.00 179.45 179.36 1qnd h GLU 15 N 0.28 0.00 0.48 1.90 4.39 -0.76 0.41 114.58 121.27 1qnd h GLU 15 Ca -0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1qnd h GLU 15 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1qnd h GLU 15 CO 0.15 0.00 -0.23 0.82 -1.16 0.00 0.00 179.01 178.59 1qnd h ILE 16 N 0.00 0.44 -0.57 3.13 2.04 -1.62 -2.04 117.51 118.88 1qnd h ILE 16 Ca 0.11 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.68 1qnd h ILE 16 Cb 0.48 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 1qnd h ILE 16 CO -0.00 0.06 0.08 -0.08 0.00 0.00 0.00 178.15 178.21 1qnd h GLU 17 N -0.91 0.20 -0.70 2.37 4.81 -1.08 -0.96 114.58 118.31 1qnd h GLU 17 Ca -0.07 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1qnd h GLU 17 Cb 0.59 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1qnd h GLU 17 CO 0.11 0.13 0.22 -0.22 -0.73 0.00 0.00 179.01 178.52 1qnd h LYS 18 N 0.20 1.06 -0.28 1.92 3.64 -0.24 0.21 116.57 123.08 1qnd h LYS 18 Ca 0.30 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 1qnd h LYS 18 Cb 0.45 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1qnd h LYS 18 CO -0.42 0.90 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.07 1qnd h LYS 19 N 1.03 0.66 -0.22 1.90 1.63 -1.05 -2.92 116.57 117.60 1qnd h LYS 19 Ca 0.23 -0.33 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 1qnd h LYS 19 Cb 0.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1qnd h LYS 19 CO -0.01 0.93 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.72 1qnd h LEU 20 N 0.55 0.34 0.28 5.20 4.07 0.42 -0.45 115.31 125.71 1qnd h LEU 20 Ca 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1qnd h LEU 20 Cb 0.90 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1qnd h LEU 20 CO 0.08 0.51 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.48 1qnd h GLU 21 N 0.34 -0.36 -0.78 1.13 4.39 -0.69 0.18 114.58 118.79 1qnd h GLU 21 Ca 0.07 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.84 1qnd h GLU 21 Cb 0.44 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 1qnd h GLU 21 CO 0.03 -0.11 0.48 0.93 -1.16 0.00 0.00 179.01 179.17 1qnd h GLU 22 N -0.56 0.87 0.00 2.33 5.08 -1.24 -3.39 114.58 117.67 1qnd h GLU 22 Ca -0.04 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 1qnd h GLU 22 Cb 0.41 -0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.32 1qnd h GLU 22 CO 0.06 0.58 -0.27 -1.91 -1.00 0.00 0.00 179.01 176.47 1qnd n GLU 23 N -4.65 1.35 0.22 2.33 2.13 -0.22 -5.01 120.64 116.78 1qnd n GLU 23 Ca 0.10 -1.21 0.14 0.00 0.66 0.00 0.00 57.16 56.85 1qnd n GLU 23 Cb 0.14 0.41 0.44 0.00 0.27 0.00 0.00 31.44 32.70 1qnd n GLU 23 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1qnd h GLY 24 N 1.02 0.00 -0.97 8.31 0.00 -0.69 -3.24 103.07 107.50 1qnd h GLY 24 Ca -0.44 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.06 1qnd h GLY 24 CO -0.18 0.00 -0.34 -2.09 0.00 0.00 0.00 176.54 173.92 1qnd h GLU 25 N 0.00 -0.01 -0.24 4.80 4.22 -1.73 0.74 114.58 122.37 1qnd h GLU 25 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.33 1qnd h GLU 25 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1qnd h GLU 25 CO 0.00 -0.00 -0.34 0.37 -2.18 0.00 0.00 179.01 176.86 1qnd h GLN 26 N -0.01 0.51 0.00 1.92 -0.00 -1.88 -2.53 115.11 113.13 1qnd h GLN 26 Ca 0.38 -0.23 -0.09 0.00 -0.00 0.00 0.00 58.65 58.71 1qnd h GLN 26 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1qnd h GLN 26 CO -0.99 0.79 -0.42 0.74 0.00 0.00 0.00 178.83 178.94 1qnd h PHE 27 N 0.44 0.00 -0.14 3.99 0.04 -1.10 -2.03 116.94 118.14 1qnd h PHE 27 Ca 0.05 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.87 1qnd h PHE 27 Cb 0.80 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.90 1qnd h PHE 27 CO 0.03 0.42 -0.19 0.28 -0.60 0.00 0.00 178.31 178.25 1qnd h VAL 28 N 0.00 0.51 0.00 -0.55 2.07 -0.66 -2.26 116.25 115.36 1qnd h VAL 28 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1qnd h VAL 28 Cb 0.78 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1qnd h VAL 28 CO 0.06 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.71 1qnd h LYS 29 N -0.24 0.00 0.00 1.57 1.79 -1.38 0.44 116.57 118.76 1qnd h LYS 29 Ca 0.10 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.49 1qnd h LYS 29 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1qnd h LYS 29 CO -0.28 0.05 -0.38 0.87 -1.08 0.00 0.00 179.45 178.63 1qnd h LYS 30 N 0.00 0.00 0.00 3.15 1.57 -1.29 -3.39 116.57 116.61 1qnd h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qnd h LYS 30 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1qnd h LYS 30 CO 0.01 0.38 -0.16 -0.89 -0.57 0.00 0.00 179.45 178.22 1qnd n ILE 31 N -4.08 1.11 -2.70 1.86 5.41 -0.79 -5.06 119.36 115.11 1qnd n ILE 31 Ca -0.02 0.32 -0.06 0.00 1.00 0.00 0.00 62.75 63.99 1qnd n ILE 31 Cb 0.41 -1.64 0.03 0.00 -0.71 0.00 0.00 39.64 37.73 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 3.13 -0.77 3.71 7.39 0.00 0.15 -5.01 105.19 113.79 1qnd n GLY 32 Ca -0.02 0.32 0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.03 -0.32 -0.12 -0.02 0.00 0.36 -4.86 107.32 99.31 1qnd s GLY 33 Ca 0.18 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.30 1qnd s GLY 33 CO 0.54 1.29 0.16 -0.42 0.00 0.00 0.00 173.10 174.67 1qnd s ILE 34 N -2.38 5.45 0.17 0.90 1.09 -1.26 -0.70 121.20 124.46 1qnd s ILE 34 Ca 0.17 0.27 0.01 0.00 -1.10 0.00 0.00 60.65 60.00 1qnd s ILE 34 Cb 0.03 -3.44 -0.05 0.00 -1.06 0.00 0.00 42.46 37.95 1qnd s ILE 34 CO -0.02 0.58 0.01 0.72 -0.10 0.00 0.00 174.94 176.13 1qnd s PHE 35 N -0.79 1.17 0.38 3.97 -0.12 -0.76 -2.72 117.98 119.12 1qnd s PHE 35 Ca 0.15 -1.04 0.08 0.00 -0.05 0.00 0.00 56.93 56.06 1qnd s PHE 35 Cb -0.12 -0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 1qnd s PHE 35 CO 0.04 -0.24 0.27 0.00 -0.05 0.00 0.00 175.22 175.24 1qnd s ALA 36 N -3.70 3.80 -0.32 1.99 0.00 -0.76 -0.90 121.76 121.87 1qnd s ALA 36 Ca 0.24 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.33 1qnd s ALA 36 Cb 0.06 -0.88 0.10 0.00 0.00 0.00 0.00 23.12 22.41 1qnd s ALA 36 CO 0.04 -0.10 0.11 -0.06 0.00 0.00 0.00 175.76 175.74 1qnd s PHE 37 N -2.45 1.56 -0.84 0.00 0.08 -0.49 -2.73 117.98 113.12 1qnd s PHE 37 Ca 0.43 -1.69 -0.21 0.00 0.12 0.00 0.00 56.93 55.58 1qnd s PHE 37 Cb -0.02 -1.63 0.09 0.00 -0.57 0.00 0.00 43.02 40.89 1qnd s PHE 37 CO 0.25 -0.87 1.12 0.21 -0.10 0.00 0.00 175.22 175.83 1qnd s LYS 38 N 1.58 3.40 -0.35 0.44 2.47 -0.30 -3.34 119.74 123.65 1qnd s LYS 38 Ca 0.10 -1.28 -0.14 0.00 -1.56 0.00 0.00 55.97 53.09 1qnd s LYS 38 Cb -0.18 -4.70 -0.01 0.00 -1.46 0.00 0.00 37.83 31.48 1qnd s LYS 38 CO -0.24 -1.86 0.29 0.08 0.16 0.00 0.00 175.35 173.78 1qnd s VAL 39 N 3.62 5.24 0.47 4.02 1.01 -0.74 -3.35 120.40 130.66 1qnd s VAL 39 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1qnd s VAL 39 Cb -0.09 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1qnd s VAL 39 CO -0.01 -0.06 0.16 -1.59 0.00 0.00 0.00 175.10 173.60 1qnd s LYS 40 N 1.85 2.19 -1.56 2.72 -2.85 -1.25 -1.36 119.74 119.48 1qnd s LYS 40 Ca 0.08 -2.06 -0.06 0.00 -1.00 0.00 0.00 55.97 52.93 1qnd s LYS 40 Cb -0.17 -1.85 0.05 0.00 -2.06 0.00 0.00 37.83 33.80 1qnd s LYS 40 CO 0.11 -0.29 0.35 -3.47 0.10 0.00 0.00 175.35 172.15 1qnd n ASP 41 N -1.33 -0.52 -4.31 0.03 2.03 -1.24 -0.91 116.55 110.30 1qnd n ASP 41 Ca -0.06 -1.13 -0.29 0.00 0.52 0.00 0.00 54.79 53.82 1qnd n ASP 41 Cb 0.65 -2.32 0.21 0.00 -0.72 0.00 0.00 41.12 38.94 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 -4.07 1.57 -0.70 0.27 0.00 -1.24 -4.17 107.32 98.97 1qnd s GLY 42 Ca 0.22 -0.63 -0.26 0.00 0.00 0.00 0.00 44.72 44.06 1qnd s GLY 42 CO 0.95 0.11 2.25 2.56 0.00 0.00 0.00 173.10 178.97 1qnd s PRO 43 N -5.15 2.05 0.00 2.90 0.04 -1.26 -0.60 135.00 132.98 1qnd s PRO 43 Ca 0.68 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1qnd s PRO 43 Cb -0.15 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1qnd s PRO 43 CO 0.57 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 174.32 1qnd n GLY 44 N 6.45 1.12 1.47 0.56 0.00 -1.26 -4.79 105.19 108.73 1qnd n GLY 44 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.12 0.60 0.00 -0.02 0.00 0.23 -5.03 105.19 100.84 1qnd n GLY 45 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.73 0.66 -4.14 1.61 5.02 -1.26 -4.80 118.16 112.51 1qnd n LYS 46 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1qnd n LYS 46 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 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 -1.69 0.63 0.30 1.97 2.12 -1.26 -3.60 118.70 117.17 1qnd s GLU 47 Ca 0.00 -0.70 -0.05 0.00 0.36 0.00 0.00 54.97 54.57 1qnd s GLU 47 Cb 0.00 -0.51 -0.00 0.00 0.26 0.00 0.00 34.13 33.88 1qnd s GLU 47 CO 0.00 0.11 0.43 0.00 -0.54 0.00 0.00 175.26 175.26 1qnd s ALA 48 N -1.08 0.52 0.06 6.30 0.00 -0.46 -0.52 121.76 126.58 1qnd s ALA 48 Ca -0.05 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 1qnd s ALA 48 Cb -0.08 1.16 0.05 0.00 0.00 0.00 0.00 23.12 24.24 1qnd s ALA 48 CO 0.01 -0.78 0.49 0.99 0.00 0.00 0.00 175.76 176.46 1qnd s THR 49 N -3.48 0.04 0.19 0.00 2.01 -1.26 -1.79 115.64 111.35 1qnd s THR 49 Ca 0.29 -0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.08 1qnd s THR 49 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1qnd s THR 49 CO 0.16 -0.18 -0.22 0.26 -0.69 0.00 0.00 174.62 173.95 1qnd s TRP 50 N -2.73 2.17 -0.21 4.92 0.51 -1.21 -4.39 118.94 118.00 1qnd s TRP 50 Ca -0.04 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1qnd s TRP 50 Cb -0.00 -1.07 0.04 0.00 -0.81 0.00 0.00 33.47 31.63 1qnd s TRP 50 CO -0.04 0.47 -0.12 0.08 -0.51 0.00 0.00 176.95 176.82 1qnd s VAL 51 N -1.80 1.84 -0.39 4.03 1.01 -1.26 -1.39 120.40 122.45 1qnd s VAL 51 Ca 0.20 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1qnd s VAL 51 Cb -0.07 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1qnd s VAL 51 CO 0.09 0.20 0.47 -0.69 0.00 0.00 0.00 175.10 175.16 1qnd s VAL 52 N 1.31 5.05 -0.35 2.92 1.01 -0.08 -0.38 120.40 129.88 1qnd s VAL 52 Ca -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1qnd s VAL 52 Cb -0.16 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1qnd s VAL 52 CO -0.08 -0.31 1.05 -0.62 0.00 0.00 0.00 175.10 175.13 1qnd s ASP 53 N 1.80 6.85 -0.34 3.32 -1.08 -0.04 -1.83 116.67 125.35 1qnd s ASP 53 Ca 0.15 0.90 0.14 0.00 -0.52 0.00 0.00 52.55 53.21 1qnd s ASP 53 Cb -0.16 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.23 1qnd s ASP 53 CO 0.14 -0.91 1.05 1.33 0.52 0.00 0.00 175.17 177.29 1qnd n VAL 54 N 5.99 1.63 0.00 1.11 0.24 0.12 -1.48 118.33 125.95 1qnd n VAL 54 Ca 0.11 -3.74 0.00 0.00 -2.04 0.00 0.00 64.34 58.67 1qnd n VAL 54 Cb 0.47 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.35 0.00 -3.62 7.34 4.81 -1.11 -0.49 118.16 124.74 1qnd n LYS 55 Ca 0.22 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.36 1qnd n LYS 55 Cb 0.78 -0.13 -0.04 0.00 0.02 0.00 0.00 35.03 35.66 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 -4.99 6.46 1.33 3.14 0.01 -1.26 -4.91 114.94 114.73 1qnd s ASN 56 Ca 0.00 0.56 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 1qnd s ASN 56 Cb 0.00 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.58 1qnd s ASN 56 CO 0.00 -0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.19 1qnd n GLY 57 N -0.28 3.22 0.65 0.66 0.00 -1.26 -1.52 105.19 106.66 1qnd n GLY 57 Ca -0.03 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 2.86 0.00 1.61 4.76 -1.26 -4.97 118.16 135.15 1qnd n LYS 58 Ca 0.00 -2.25 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 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 0.09 -1.00 3.58 0.72 0.00 -0.57 -2.82 105.19 105.18 1qnd n GLY 59 Ca 0.14 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.41 -0.19 -0.20 1.61 0.01 -0.55 -4.69 113.70 107.29 1qnd s SER 60 Ca 0.00 -0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.15 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 0.06 -0.69 0.41 0.00 0.00 173.24 172.64 1qnd s VAL 61 N -2.66 4.67 -0.63 3.43 1.01 -1.26 -0.86 120.40 124.10 1qnd s VAL 61 Ca 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1qnd s VAL 61 Cb -0.00 -3.12 0.16 0.00 0.00 0.00 0.00 36.38 33.42 1qnd s VAL 61 CO -0.05 0.43 0.49 -0.76 0.00 0.00 0.00 175.10 175.21 1qnd s LEU 62 N 0.66 5.77 0.32 3.92 1.43 0.48 -4.97 118.68 126.29 1qnd s LEU 62 Ca 0.03 -2.52 -0.29 0.00 -1.03 0.00 0.00 54.13 50.32 1qnd s LEU 62 Cb -0.13 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 43.99 1qnd s LEU 62 CO 0.02 -0.52 1.48 -2.16 0.23 0.00 0.00 176.35 175.39 1qnd s PRO 63 N 0.44 4.19 -1.57 1.29 0.04 -1.26 -2.40 135.00 135.72 1qnd s PRO 63 Ca 0.14 2.46 -0.10 0.00 0.04 0.00 0.00 61.00 63.54 1qnd s PRO 63 Cb -0.19 -3.03 0.08 0.00 0.04 0.00 0.00 34.50 31.40 1qnd s PRO 63 CO -0.04 -0.48 0.61 0.09 0.04 0.00 0.00 177.00 177.21 1qnd n ASN 64 N 1.40 -1.94 -4.76 6.66 3.02 -1.26 -4.83 115.26 113.55 1qnd n ASN 64 Ca 0.04 -1.02 -0.37 0.00 -0.03 0.00 0.00 54.58 53.20 1qnd n ASN 64 Cb 0.39 -2.86 0.02 0.00 -0.61 0.00 0.00 39.78 36.73 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 -3.78 5.57 0.28 6.41 0.15 -1.01 -4.90 113.70 116.43 1qnd s SER 65 Ca 0.40 2.54 0.16 0.00 0.70 0.00 0.00 55.95 59.75 1qnd s SER 65 Cb -0.22 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.55 1qnd s SER 65 CO 0.91 -1.34 1.44 -0.78 1.20 0.00 0.00 173.24 174.67 1qnd h ASP 66 N 1.57 0.00 -2.27 5.45 1.82 -1.90 -3.46 116.42 117.63 1qnd h ASP 66 Ca -0.50 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.59 1qnd h ASP 66 Cb 1.28 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.30 1qnd h ASP 66 CO 0.58 0.47 1.30 -0.75 -1.61 0.00 0.00 179.24 179.23 1qnd s LYS 67 N -2.98 3.85 0.86 0.28 2.20 -1.26 -4.95 119.74 117.73 1qnd s LYS 67 Ca 0.04 2.43 -0.14 0.00 -0.36 0.00 0.00 55.97 57.93 1qnd s LYS 67 Cb 0.07 -4.22 0.21 0.00 -1.51 0.00 0.00 37.83 32.38 1qnd s LYS 67 CO 0.74 -1.29 0.84 0.36 -0.36 0.00 0.00 175.35 175.65 1qnd n LYS 68 N 7.89 -2.19 -4.17 4.03 2.85 -1.26 -5.00 118.16 120.30 1qnd n LYS 68 Ca 0.23 -1.33 -0.11 0.00 -1.05 0.00 0.00 58.31 56.05 1qnd n LYS 68 Cb 0.42 -1.15 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 1qnd n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qnd s ALA 69 N -3.24 0.97 0.11 0.58 0.00 -1.26 -4.95 121.76 113.97 1qnd s ALA 69 Ca 0.53 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1qnd s ALA 69 Cb -0.04 0.64 -0.14 0.00 0.00 0.00 0.00 23.12 23.58 1qnd s ALA 69 CO 0.40 -0.40 1.27 0.22 0.00 0.00 0.00 175.76 177.24 1qnd h ASP 70 N 2.86 0.66 -2.51 0.00 1.82 -1.90 -3.50 116.42 113.86 1qnd h ASP 70 Ca -0.35 -0.53 0.08 0.00 -0.39 0.00 0.00 57.03 55.83 1qnd h ASP 70 Cb 1.19 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.99 1qnd h ASP 70 CO 0.62 1.33 0.42 0.00 -1.61 0.00 0.00 179.24 179.99 1qnd n THR 72 N -0.58 0.00 -3.98 0.00 -1.04 -1.26 -1.84 114.28 105.58 1qnd n THR 72 Ca -0.04 -1.50 -0.08 0.00 -2.04 0.00 0.00 64.05 60.38 1qnd n THR 72 Cb 0.53 0.73 -0.09 0.00 -1.82 0.00 0.00 70.33 69.67 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 -2.80 0.17 -0.23 12.58 2.07 -1.11 -4.08 121.20 127.79 1qnd s ILE 73 Ca 0.23 -1.37 -0.12 0.00 -1.41 0.00 0.00 60.65 57.98 1qnd s ILE 73 Cb 0.01 -1.16 -0.05 0.00 0.13 0.00 0.00 42.46 41.39 1qnd s ILE 73 CO 0.17 -0.75 0.25 -0.89 -1.91 0.00 0.00 174.94 171.80 1qnd s THR 74 N -3.25 5.30 -0.19 4.00 2.01 -1.26 -1.15 115.64 121.10 1qnd s THR 74 Ca 0.01 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.29 1qnd s THR 74 Cb 0.03 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 69.03 1qnd s THR 74 CO -0.08 0.30 0.42 -0.04 -0.69 0.00 0.00 174.62 174.53 1qnd s MET 75 N 1.25 0.36 0.80 4.92 -1.94 -1.21 -4.57 119.30 118.91 1qnd s MET 75 Ca 0.11 0.94 -0.14 0.00 -1.71 0.00 0.00 55.69 54.89 1qnd s MET 75 Cb -0.14 0.18 0.02 0.00 2.01 0.00 0.00 34.83 36.90 1qnd s MET 75 CO 0.06 -0.21 0.76 0.00 -0.01 0.00 0.00 175.02 175.63 1qnd n ALA 76 N 4.91 -1.14 -0.12 3.03 0.00 -1.26 -3.96 120.51 121.96 1qnd n ALA 76 Ca -0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1qnd n ALA 76 Cb 0.52 -2.00 0.02 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.79 -0.30 0.27 0.00 1.82 -1.19 -0.61 116.42 115.61 1qnd h ASP 77 Ca -0.45 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1qnd h ASP 77 Cb 1.32 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1qnd h ASP 77 CO 0.42 -0.10 0.00 -0.24 -1.61 0.00 0.00 179.24 177.71 1qnd n SER 78 N -5.27 0.00 -0.10 2.28 2.88 -1.26 -0.46 113.62 111.69 1qnd n SER 78 Ca 0.02 0.49 -0.17 0.00 -1.33 0.00 0.00 58.87 57.88 1qnd n SER 78 Cb 0.22 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.12 1qnd n SER 78 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1qnd n ASP 79 N -1.49 1.89 -0.12 -3.46 2.03 -0.33 -3.73 116.55 111.34 1qnd n ASP 79 Ca 0.02 0.43 -0.07 0.00 0.52 0.00 0.00 54.79 55.68 1qnd n ASP 79 Cb 0.09 -0.85 -0.01 0.00 -0.72 0.00 0.00 41.12 39.63 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 -1.00 -0.89 -0.28 -0.67 0.04 -0.78 -1.31 116.94 112.05 1qnd h PHE 80 Ca -0.29 0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.60 1qnd h PHE 80 Cb 1.14 0.45 -0.06 0.00 2.20 0.00 0.00 35.95 39.68 1qnd h PHE 80 CO -0.15 -0.38 -0.13 1.25 -0.60 0.00 0.00 178.31 178.29 1qnd h LEU 81 N -0.24 -0.45 -2.40 1.54 5.85 -1.01 -1.76 115.31 116.83 1qnd h LEU 81 Ca 0.18 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 1qnd h LEU 81 Cb 0.54 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1qnd h LEU 81 CO -0.55 -0.17 -0.02 0.00 -0.34 0.00 0.00 178.44 177.36 1qnd h ALA 82 N 1.12 1.44 -3.00 1.25 0.00 -1.36 -2.56 119.26 116.15 1qnd h ALA 82 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qnd h ALA 82 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qnd h ALA 82 CO -0.34 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1qnd n LEU 83 N -3.75 0.93 -2.46 0.00 4.32 -0.72 -3.32 117.00 112.01 1qnd n LEU 83 Ca -0.03 0.24 -0.16 0.00 -0.02 0.00 0.00 56.01 56.04 1qnd n LEU 83 Cb 0.11 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 1qnd n LEU 83 CO 0.27 0.00 1.87 1.15 -1.22 0.00 0.00 177.39 179.47 1qnd n MET 84 N -0.39 2.02 0.00 3.23 0.00 -0.84 -1.50 117.12 119.63 1qnd n MET 84 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 57.70 56.57 1qnd n MET 84 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 33.22 31.09 1qnd n MET 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1qnd n THR 85 N 3.00 0.00 -0.81 3.17 -1.04 -1.11 -4.87 114.28 112.62 1qnd n THR 85 Ca 0.43 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1qnd n THR 85 Cb 0.56 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 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 0.00 -0.12 1.29 3.41 0.00 -0.57 -4.49 105.19 104.71 1qnd n GLY 86 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1qnd n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qnd n LYS 87 N -0.26 0.00 0.00 1.61 4.81 -1.21 -4.70 118.16 118.41 1qnd n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1qnd n LYS 87 Cb 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 34.92 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 -2.87 0.00 -3.93 1.64 2.81 -1.24 -5.06 117.12 108.47 1qnd n MET 88 Ca 0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1qnd n MET 88 Cb 0.00 -0.14 0.01 0.00 -0.71 0.00 0.00 33.22 32.38 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 0.00 -3.96 -3.12 7.83 3.02 -1.22 -4.98 115.26 112.83 1qnd n ASN 89 Ca 0.00 -1.10 -0.18 0.00 -0.03 0.00 0.00 54.58 53.28 1qnd n ASN 89 Cb 0.08 -1.45 0.15 0.00 -0.61 0.00 0.00 39.78 37.96 1qnd n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1qnd n PRO 90 N -3.93 -2.41 -3.44 3.52 -0.04 -1.26 -4.95 135.00 122.48 1qnd n PRO 90 Ca -0.17 -1.01 -0.25 0.00 -0.04 0.00 0.00 63.50 62.03 1qnd n PRO 90 Cb 0.56 -0.98 -0.11 0.00 -0.04 0.00 0.00 33.50 32.93 1qnd n PRO 90 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1qnd s GLN 91 N -4.43 0.52 0.20 0.54 0.74 -1.26 -4.88 119.66 111.08 1qnd s GLN 91 Ca 0.41 -1.06 -0.13 0.00 0.05 0.00 0.00 55.36 54.63 1qnd s GLN 91 Cb -0.04 -1.09 0.22 0.00 1.10 0.00 0.00 33.01 33.19 1qnd s GLN 91 CO 0.32 -1.18 1.68 0.66 -0.55 0.00 0.00 175.29 176.22 1qnd h SER 92 N 7.23 -0.20 -1.04 6.67 4.64 -1.95 -0.36 113.55 128.55 1qnd h SER 92 Ca 0.02 0.12 0.28 0.00 -0.47 0.00 0.00 61.79 61.74 1qnd h SER 92 Cb 1.00 0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 63.24 1qnd h SER 92 CO 0.27 -0.07 0.70 0.00 -0.87 0.00 0.00 176.83 176.86 1qnd h ALA 93 N 1.47 2.57 0.00 5.18 0.00 -1.96 0.23 119.26 126.76 1qnd h ALA 93 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1qnd h ALA 93 Cb 0.42 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qnd h ALA 93 CO -0.44 -0.92 -0.45 0.34 0.00 0.00 0.00 179.25 177.78 1qnd n PHE 94 N -4.43 0.80 0.31 0.00 -0.00 -0.54 -3.64 117.46 109.96 1qnd n PHE 94 Ca 0.23 0.35 -0.12 0.00 -0.00 0.00 0.00 57.45 57.91 1qnd n PHE 94 Cb 0.97 -0.70 -0.06 0.00 -0.00 0.00 0.00 39.48 39.69 1qnd n PHE 94 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1qnd h PHE 95 N -0.87 -0.74 -0.27 -5.13 3.57 -0.83 -3.04 116.94 109.63 1qnd h PHE 95 Ca 0.00 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1qnd h PHE 95 Cb 0.45 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1qnd h PHE 95 CO -0.19 -0.46 -0.20 1.96 -2.23 0.00 0.00 178.31 177.19 1qnd h GLN 96 N -0.86 0.49 -2.58 1.11 4.20 -0.79 -3.47 115.11 113.20 1qnd h GLN 96 Ca -0.08 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.30 1qnd h GLN 96 Cb 0.61 -0.04 0.04 0.00 0.30 0.00 0.00 27.48 28.39 1qnd h GLN 96 CO 0.13 0.66 -0.27 0.41 -0.67 0.00 0.00 178.83 179.10 1qnd n GLY 97 N -0.49 0.26 0.06 3.46 0.00 -0.54 -4.91 105.19 103.03 1qnd n GLY 97 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.24 0.19 -3.14 1.61 4.76 -1.26 -4.79 118.16 113.30 1qnd n LYS 98 Ca -0.02 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.23 1qnd n LYS 98 Cb 0.54 -1.01 0.02 0.00 -1.84 0.00 0.00 35.03 32.74 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 -0.39 -5.29 -4.77 -0.35 7.94 -1.26 -4.95 117.00 107.93 1qnd n LEU 99 Ca 0.00 0.35 -0.40 0.00 -1.11 0.00 0.00 56.01 54.85 1qnd n LEU 99 Cb 0.01 -2.47 -0.02 0.00 0.53 0.00 0.00 43.42 41.47 1qnd n LEU 99 CO 0.00 -1.42 0.92 -1.59 -1.11 0.00 0.00 177.39 174.19 1qnd s LYS 100 N -2.24 4.21 0.83 1.96 0.00 -1.26 -4.48 119.74 118.75 1qnd s LYS 100 Ca 0.25 2.07 -0.12 0.00 0.00 0.00 0.00 55.97 58.16 1qnd s LYS 100 Cb -0.04 -2.90 0.09 0.00 0.00 0.00 0.00 37.83 34.97 1qnd s LYS 100 CO 0.72 -0.26 1.17 0.42 0.00 0.00 0.00 175.35 177.40 1qnd s ILE 101 N -1.24 2.07 0.00 3.79 -1.09 -1.26 -4.86 121.20 118.61 1qnd s ILE 101 Ca 0.53 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1qnd s ILE 101 Cb -0.36 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1qnd s ILE 101 CO 0.47 -0.03 0.00 0.35 -1.23 0.00 0.00 174.94 174.50 1qnd n THR 102 N -3.40 0.00 0.00 2.92 -2.24 -1.26 -4.75 114.28 105.56 1qnd n THR 102 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1qnd n THR 102 Cb 0.60 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 103 N 5.00 3.73 2.74 3.38 0.00 -1.26 -4.10 105.19 114.68 1qnd n GLY 103 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 1.43 0.78 1.61 0.01 -1.26 -4.94 114.94 112.57 1qnd s ASN 104 Ca 0.00 -0.22 -0.12 0.00 -0.71 0.00 0.00 52.86 51.81 1qnd s ASN 104 Cb 0.00 0.31 0.06 0.00 0.41 0.00 0.00 41.25 42.04 1qnd s ASN 104 CO 0.00 -0.32 1.12 0.00 -1.51 0.00 0.00 177.10 176.39 1qnd s MET 105 N 2.31 2.08 0.00 -0.60 0.23 -1.26 -3.88 119.30 118.17 1qnd s MET 105 Ca 0.06 1.35 0.00 0.00 -1.03 0.00 0.00 55.69 56.07 1qnd s MET 105 Cb -0.15 -1.86 0.00 0.00 -1.53 0.00 0.00 34.83 31.28 1qnd s MET 105 CO -0.11 -1.80 0.00 0.41 -2.03 0.00 0.00 175.02 171.49 1qnd n GLY 106 N -0.61 1.23 2.54 3.16 0.00 -1.26 -4.92 105.19 105.33 1qnd n GLY 106 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1qnd n GLY 106 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qnd n LEU 107 N 0.00 6.46 0.00 0.99 -0.00 -1.25 -4.35 117.00 118.85 1qnd n LEU 107 Ca 0.00 -3.53 0.00 0.00 -0.00 0.00 0.00 56.01 52.48 1qnd n LEU 107 Cb 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.11 1qnd n LEU 107 CO 0.00 1.14 0.00 0.00 -0.00 0.00 0.00 177.39 178.53 1qnd n ALA 108 N 4.33 0.00 -2.47 1.47 0.00 -1.26 -4.96 120.51 117.62 1qnd n ALA 108 Ca 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1qnd n ALA 108 Cb 0.20 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.68 1qnd n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qnd n MET 109 N -0.62 0.68 0.09 0.00 0.00 -1.26 -4.95 117.12 111.05 1qnd n MET 109 Ca 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 57.70 55.78 1qnd n MET 109 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 33.22 33.13 1qnd n MET 109 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1qnd h LYS 110 N 1.05 0.16 -6.21 3.17 3.64 -1.93 -3.45 116.57 112.99 1qnd h LYS 110 Ca -0.36 -0.17 -0.49 0.00 -1.27 0.00 0.00 60.65 58.36 1qnd h LYS 110 Cb 1.49 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.32 1qnd h LYS 110 CO -0.06 0.91 -0.45 -0.48 -2.27 0.00 0.00 179.45 177.09 1qnd s LEU 111 N -7.41 3.74 0.00 5.20 -0.00 -1.26 -5.10 118.68 113.84 1qnd s LEU 111 Ca -0.02 -0.37 0.00 0.00 -0.00 0.00 0.00 54.13 53.74 1qnd s LEU 111 Cb 0.10 -2.35 0.00 0.00 -0.00 0.00 0.00 46.19 43.95 1qnd s LEU 111 CO 0.82 -0.27 0.00 0.00 -0.00 0.00 0.00 176.35 176.90 1qnd n GLN 112 N -1.36 0.00 0.00 1.48 6.02 -1.26 -4.86 117.38 117.40 1qnd n GLN 112 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1qnd n GLN 112 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 1qnd n GLN 112 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1qnd n ASN 113 N -0.51 0.00 0.16 1.08 3.02 -1.23 -0.86 115.26 116.91 1qnd n ASN 113 Ca 0.00 0.16 -0.14 0.00 -0.03 0.00 0.00 54.58 54.57 1qnd n ASN 113 Cb 0.00 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 1qnd n ASN 113 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1qnd h LEU 114 N 0.00 -0.58 -5.32 3.41 5.85 -1.95 -3.33 115.31 113.39 1qnd h LEU 114 Ca 0.00 0.05 -0.78 0.00 0.84 0.00 0.00 57.88 58.00 1qnd h LEU 114 Cb 0.06 0.20 -0.27 0.00 0.37 0.00 0.00 40.66 41.02 1qnd h LEU 114 CO 0.00 -0.32 1.02 0.00 -0.34 0.00 0.00 178.44 178.80 1qnd n GLN 115 N -5.34 3.48 -0.62 1.25 10.64 -0.04 -3.80 117.38 122.94 1qnd n GLN 115 Ca -0.08 -3.85 0.08 0.00 -1.83 0.00 0.00 57.00 51.33 1qnd n GLN 115 Cb 0.25 -2.32 -0.02 0.00 -0.86 0.00 0.00 30.24 27.29 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 -0.41 0.00 -4.68 2.61 4.77 -1.25 -4.45 117.00 113.59 1qnd n LEU 116 Ca 0.52 0.67 -0.35 0.00 -0.03 0.00 0.00 56.01 56.82 1qnd n LEU 116 Cb 0.25 -1.92 -0.09 0.00 -2.33 0.00 0.00 43.42 39.33 1qnd n LEU 116 CO 0.51 -1.91 -0.29 -1.10 -1.33 0.00 0.00 177.39 173.27 1qnd s GLN 117 N -1.01 3.28 1.03 3.23 -0.21 -1.26 -3.57 119.66 121.15 1qnd s GLN 117 Ca 0.00 -0.38 -0.15 0.00 0.02 0.00 0.00 55.36 54.85 1qnd s GLN 117 Cb 0.00 -2.92 0.21 0.00 1.00 0.00 0.00 33.01 31.29 1qnd s GLN 117 CO 0.00 0.59 1.17 -1.25 -2.12 0.00 0.00 175.29 173.68 1qnd s PRO 118 N -0.55 0.18 -0.02 2.91 0.04 -1.26 -4.78 135.00 131.52 1qnd s PRO 118 Ca 0.10 0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.16 1qnd s PRO 118 Cb -0.12 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1qnd s PRO 118 CO 0.02 -2.79 -0.01 0.20 0.04 0.00 0.00 177.00 174.46 1qnd s GLY 119 N -4.16 0.21 -0.40 0.56 0.00 -1.26 -4.96 107.32 97.31 1qnd s GLY 119 Ca 0.69 0.04 0.03 0.00 0.00 0.00 0.00 44.72 45.48 1qnd s GLY 119 CO 0.54 0.29 1.16 -2.01 0.00 0.00 0.00 173.10 173.09 1qnd n ASN 120 N 3.66 -1.94 -3.43 1.64 2.85 -1.26 -4.75 115.26 112.03 1qnd n ASN 120 Ca -0.21 -2.64 -0.21 0.00 -0.11 0.00 0.00 54.58 51.41 1qnd n ASN 120 Cb 0.54 1.39 -0.11 0.00 1.24 0.00 0.00 39.78 42.85 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qnd s ALA 121 N 0.28 -0.12 -0.47 5.20 0.00 -1.26 -5.03 121.76 120.36 1qnd s ALA 121 Ca 0.25 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1qnd s ALA 121 Cb 0.25 -1.73 0.20 0.00 0.00 0.00 0.00 23.12 21.84 1qnd s ALA 121 CO -0.15 -1.79 0.84 1.17 0.00 0.00 0.00 175.76 175.83 1qnd n LYS 122 N 5.05 0.45 -0.10 0.00 0.00 -1.26 -5.34 118.16 116.95 1qnd n LYS 122 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 58.31 56.62 1qnd n LYS 122 Cb 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1qnd n LYS 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68