#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd h SER 2 N 0.00 -1.43 -6.95 4.04 0.02 -2.04 -3.46 113.55 103.72 1qnd h SER 2 Ca 0.00 0.12 -0.44 0.00 -0.84 0.00 0.00 61.79 60.63 1qnd h SER 2 Cb 0.00 0.48 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 1qnd h SER 2 CO 0.00 -0.66 -0.73 0.00 -1.14 0.00 0.00 176.83 174.30 1qnd n ALA 3 N -2.84 -2.05 -3.00 3.77 0.00 -1.26 -4.91 120.51 110.22 1qnd n ALA 3 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1qnd n ALA 3 Cb 0.46 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.46 0.00 -1.48 0.00 7.64 -1.26 -4.89 113.62 112.16 1qnd n SER 4 Ca -0.12 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.70 1qnd n SER 4 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1qnd n SER 4 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1qnd n ASP 5 N 0.00 -1.68 -3.53 6.43 5.68 -1.26 -4.84 116.55 117.35 1qnd n ASP 5 Ca 0.00 0.19 -0.34 0.00 -0.50 0.00 0.00 54.79 54.14 1qnd n ASP 5 Cb 0.00 -1.76 -0.03 0.00 -1.14 0.00 0.00 41.12 38.19 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qnd n GLY 6 N -0.23 5.37 3.59 6.12 0.00 -1.26 -4.71 105.19 114.06 1qnd n GLY 6 Ca -0.06 -2.71 -0.09 0.00 0.00 0.00 0.00 46.02 43.16 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 -3.17 0.11 0.47 1.61 0.40 -1.26 -4.98 117.98 111.17 1qnd s PHE 7 Ca 0.39 -0.48 0.15 0.00 -0.60 0.00 0.00 56.93 56.39 1qnd s PHE 7 Cb 0.16 0.32 1.10 0.00 0.51 0.00 0.00 43.02 45.10 1qnd s PHE 7 CO -0.03 -0.98 2.05 -0.22 0.70 0.00 0.00 175.22 176.74 1qnd h LYS 8 N 2.22 0.00 -1.21 0.44 1.63 -1.97 -3.14 116.57 114.54 1qnd h LYS 8 Ca -0.26 -0.00 0.35 0.00 -0.85 0.00 0.00 60.65 59.89 1qnd h LYS 8 Cb 1.25 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.83 1qnd h LYS 8 CO 0.35 0.12 1.01 0.00 -3.45 0.00 0.00 179.45 177.48 1qnd h ALA 9 N 1.88 3.11 -0.70 5.00 0.00 -1.95 -1.40 119.26 125.19 1qnd h ALA 9 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1qnd h ALA 9 Cb 0.21 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1qnd h ALA 9 CO 0.02 -1.64 0.35 -0.97 0.00 0.00 0.00 179.25 177.00 1qnd h ASN 10 N 0.00 0.46 -0.68 0.00 -0.73 -1.83 0.62 115.58 113.42 1qnd h ASN 10 Ca 0.58 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.80 1qnd h ASN 10 Cb 2.60 -0.02 -0.03 0.00 0.27 0.00 0.00 38.32 41.14 1qnd h ASN 10 CO -0.01 0.26 0.40 -0.07 -0.37 0.00 0.00 177.43 177.64 1qnd h LEU 11 N 0.60 0.83 0.00 0.34 3.38 -1.53 -2.27 115.31 116.67 1qnd h LEU 11 Ca 0.34 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1qnd h LEU 11 Cb 0.35 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1qnd h LEU 11 CO -0.26 0.67 -0.23 0.58 0.09 0.00 0.00 178.44 179.28 1qnd h VAL 12 N 0.93 1.43 0.00 1.22 2.07 -1.47 -2.98 116.25 117.45 1qnd h VAL 12 Ca 0.24 -2.16 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 1qnd h VAL 12 Cb 0.00 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1qnd h VAL 12 CO -0.04 0.48 -0.07 -0.26 0.02 0.00 0.00 177.57 177.70 1qnd h PHE 13 N -1.00 0.00 -0.18 1.57 0.04 -0.99 -1.93 116.94 114.46 1qnd h PHE 13 Ca -0.06 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 1qnd h PHE 13 Cb 0.94 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1qnd h PHE 13 CO 0.21 0.07 -0.58 -0.22 -0.60 0.00 0.00 178.31 177.20 1qnd h LYS 14 N 0.00 0.56 -1.00 1.51 3.64 -1.47 -2.26 116.57 117.55 1qnd h LYS 14 Ca -0.00 -0.37 0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1qnd h LYS 14 Cb 0.27 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 1qnd h LYS 14 CO 0.01 0.98 0.64 0.93 -2.27 0.00 0.00 179.45 179.74 1qnd h GLU 15 N 0.43 1.01 -0.09 1.90 4.39 -1.18 0.44 114.58 121.48 1qnd h GLU 15 Ca 0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1qnd h GLU 15 Cb 1.13 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1qnd h GLU 15 CO 0.11 0.67 0.04 0.82 -1.16 0.00 0.00 179.01 179.49 1qnd h ILE 16 N 1.04 1.11 0.13 3.13 2.04 -1.46 -2.54 117.51 120.97 1qnd h ILE 16 Ca 0.48 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 66.02 1qnd h ILE 16 Cb 0.40 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1qnd h ILE 16 CO -0.23 0.10 -0.22 -0.08 0.00 0.00 0.00 178.15 177.71 1qnd h GLU 17 N 0.02 -0.41 -0.47 2.37 4.81 -0.74 -1.23 114.58 118.93 1qnd h GLU 17 Ca 0.03 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1qnd h GLU 17 Cb 0.12 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 1qnd h GLU 17 CO -0.00 -0.27 -0.21 -0.22 -0.73 0.00 0.00 179.01 177.57 1qnd h LYS 18 N -0.43 -0.10 -0.23 1.92 1.63 -0.10 0.29 116.57 119.55 1qnd h LYS 18 Ca 0.02 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1qnd h LYS 18 Cb 0.44 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1qnd h LYS 18 CO -0.12 -0.07 0.12 0.87 -3.45 0.00 0.00 179.45 176.81 1qnd h LYS 19 N -0.11 0.25 -0.75 1.90 6.56 -1.30 0.59 116.57 123.71 1qnd h LYS 19 Ca 0.22 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.89 1qnd h LYS 19 Cb 0.45 -0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 32.01 1qnd h LYS 19 CO -0.54 0.17 0.49 -0.07 -2.06 0.00 0.00 179.45 177.44 1qnd h LEU 20 N 0.26 0.62 0.13 2.94 3.38 0.28 -0.05 115.31 122.86 1qnd h LEU 20 Ca 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1qnd h LEU 20 Cb 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1qnd h LEU 20 CO -0.05 0.38 -0.06 -0.33 0.09 0.00 0.00 178.44 178.46 1qnd h GLU 21 N 0.69 -0.17 -0.39 1.13 4.39 0.05 0.11 114.58 120.39 1qnd h GLU 21 Ca 0.34 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.09 1qnd h GLU 21 Cb 0.42 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1qnd h GLU 21 CO -0.12 0.21 0.16 0.93 -1.16 0.00 0.00 179.01 179.03 1qnd h GLU 22 N -0.58 0.33 0.00 2.33 5.08 -0.48 -3.39 114.58 117.87 1qnd h GLU 22 Ca -0.02 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1qnd h GLU 22 Cb 0.45 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.49 1qnd h GLU 22 CO 0.03 0.22 -0.31 -1.91 -1.00 0.00 0.00 179.01 176.04 1qnd n GLU 23 N -4.97 0.66 0.12 2.33 2.13 -0.07 -5.02 120.64 115.82 1qnd n GLU 23 Ca 0.02 -1.48 0.13 0.00 0.66 0.00 0.00 57.16 56.49 1qnd n GLU 23 Cb 0.12 -0.91 0.42 0.00 0.27 0.00 0.00 31.44 31.34 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 3.20 0.00 0.19 8.31 0.00 -0.76 -3.33 103.07 110.68 1qnd h GLY 24 Ca -0.17 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.33 1qnd h GLY 24 CO 0.12 0.00 0.60 -2.09 0.00 0.00 0.00 176.54 175.18 1qnd h GLU 25 N 0.00 0.77 0.00 4.80 4.81 -1.71 0.20 114.58 123.45 1qnd h GLU 25 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1qnd h GLU 25 Cb 0.67 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1qnd h GLU 25 CO 0.00 0.51 -0.06 0.37 -0.73 0.00 0.00 179.01 179.10 1qnd h GLN 26 N 0.79 0.00 0.00 1.92 -0.00 -1.88 -3.16 115.11 112.78 1qnd h GLN 26 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.21 1qnd h GLN 26 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.30 1qnd h GLN 26 CO -0.36 0.00 -0.99 1.19 0.00 0.00 0.00 178.83 178.67 1qnd n PHE 27 N -2.75 0.29 0.36 3.99 3.72 0.46 -3.96 117.46 119.57 1qnd n PHE 27 Ca 0.04 0.08 -0.14 0.00 -0.05 0.00 0.00 57.45 57.39 1qnd n PHE 27 Cb 0.49 -0.46 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 1qnd n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1qnd h VAL 28 N 0.00 0.00 0.00 -4.37 2.07 -0.85 -3.32 116.25 109.78 1qnd h VAL 28 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1qnd h VAL 28 Cb 0.73 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1qnd h VAL 28 CO 0.00 0.00 0.08 0.07 0.02 0.00 0.00 177.57 177.74 1qnd h LYS 29 N -0.97 0.00 0.05 1.57 2.10 -1.68 0.20 116.57 117.84 1qnd h LYS 29 Ca -0.09 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1qnd h LYS 29 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1qnd h LYS 29 CO 0.16 0.00 -0.02 0.87 -2.00 0.00 0.00 179.45 178.45 1qnd h LYS 30 N 0.00 -0.06 0.00 0.07 1.57 -1.74 -3.38 116.57 113.03 1qnd h LYS 30 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1qnd h LYS 30 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1qnd h LYS 30 CO 0.00 0.25 -1.29 -0.89 -0.57 0.00 0.00 179.45 176.95 1qnd n ILE 31 N -4.97 1.50 -3.10 1.86 -0.00 -0.63 -4.47 119.36 109.55 1qnd n ILE 31 Ca -0.08 -0.02 -0.14 0.00 -0.00 0.00 0.00 62.75 62.51 1qnd n ILE 31 Cb 0.18 -2.12 0.06 0.00 -0.00 0.00 0.00 39.64 37.77 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 1.45 -0.14 3.80 7.39 0.00 0.63 -4.59 105.19 113.72 1qnd n GLY 32 Ca -0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.81 -0.13 -0.05 -0.02 0.00 -0.20 -4.77 107.32 98.34 1qnd s GLY 33 Ca 0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.54 1qnd s GLY 33 CO 0.53 0.10 0.52 -0.42 0.00 0.00 0.00 173.10 173.83 1qnd s ILE 34 N -3.37 5.03 0.42 0.90 1.09 -1.26 -1.38 121.20 122.64 1qnd s ILE 34 Ca 0.13 1.06 0.03 0.00 -1.10 0.00 0.00 60.65 60.77 1qnd s ILE 34 Cb -0.03 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.50 1qnd s ILE 34 CO 0.05 0.41 0.11 0.72 -0.10 0.00 0.00 174.94 176.13 1qnd s PHE 35 N -0.04 1.81 0.07 3.97 -0.71 -0.39 -1.13 117.98 121.55 1qnd s PHE 35 Ca 0.28 -1.22 0.02 0.00 -1.04 0.00 0.00 56.93 54.96 1qnd s PHE 35 Cb -0.17 -1.24 -0.03 0.00 -1.21 0.00 0.00 43.02 40.38 1qnd s PHE 35 CO 0.14 -0.21 -0.07 0.00 -1.34 0.00 0.00 175.22 173.74 1qnd s ALA 36 N -3.15 0.75 -0.48 1.99 0.00 -1.03 -0.42 121.76 119.41 1qnd s ALA 36 Ca 0.21 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1qnd s ALA 36 Cb 0.02 0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.35 1qnd s ALA 36 CO 0.13 -0.11 0.39 -0.06 0.00 0.00 0.00 175.76 176.10 1qnd s PHE 37 N -2.38 3.33 -0.49 0.00 0.08 -0.26 -2.50 117.98 115.76 1qnd s PHE 37 Ca -0.00 -1.47 -0.28 0.00 0.12 0.00 0.00 56.93 55.29 1qnd s PHE 37 Cb -0.03 -3.44 0.01 0.00 -0.57 0.00 0.00 43.02 38.99 1qnd s PHE 37 CO -0.02 -0.94 1.48 0.15 -0.10 0.00 0.00 175.22 175.78 1qnd s LYS 38 N 1.49 3.35 -0.35 0.44 -0.14 -1.15 -3.65 119.74 119.73 1qnd s LYS 38 Ca 0.04 0.71 0.03 0.00 -1.36 0.00 0.00 55.97 55.39 1qnd s LYS 38 Cb -0.26 -4.11 0.10 0.00 -1.68 0.00 0.00 37.83 31.87 1qnd s LYS 38 CO 0.02 -1.86 0.07 0.08 -0.76 0.00 0.00 175.35 172.91 1qnd s VAL 39 N 6.13 2.02 0.52 3.17 1.01 -0.54 -4.19 120.40 128.52 1qnd s VAL 39 Ca 0.59 -2.23 0.05 0.00 0.00 0.00 0.00 61.98 60.39 1qnd s VAL 39 Cb -0.13 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1qnd s VAL 39 CO 0.28 -0.63 0.34 -1.59 0.00 0.00 0.00 175.10 173.50 1qnd s LYS 40 N 0.96 2.27 -1.04 2.72 -2.85 -1.26 -0.71 119.74 119.83 1qnd s LYS 40 Ca 0.11 -2.00 -0.06 0.00 -1.00 0.00 0.00 55.97 53.02 1qnd s LYS 40 Cb -0.19 -2.05 -0.07 0.00 -2.06 0.00 0.00 37.83 33.46 1qnd s LYS 40 CO -0.11 -0.50 0.91 -3.47 0.10 0.00 0.00 175.35 172.28 1qnd n ASP 41 N -1.64 -6.61 -1.56 0.03 -0.08 -1.17 -0.54 116.55 104.98 1qnd n ASP 41 Ca -0.03 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 1qnd n ASP 41 Cb 0.64 -5.16 0.00 0.00 2.34 0.00 0.00 41.12 38.94 1qnd n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qnd n GLY 42 N -1.23 1.54 2.81 0.27 0.00 -1.26 -2.13 105.19 105.19 1qnd n GLY 42 Ca -0.07 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.73 2.33 0.00 1.61 -0.04 -1.26 -2.34 135.00 134.57 1qnd n PRO 43 Ca 0.00 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1qnd n PRO 43 Cb 0.00 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 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 4.17 1.59 0.00 0.55 0.00 -1.26 -4.98 105.19 105.26 1qnd n GLY 44 Ca 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.59 1.76 -0.02 0.00 -0.99 -5.08 105.19 101.45 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 -1.64 -2.70 -4.35 1.61 5.02 -1.26 -4.14 118.16 110.70 1qnd n LYS 46 Ca 0.00 -0.85 -0.21 0.00 -2.02 0.00 0.00 58.31 55.23 1qnd n LYS 46 Cb 0.00 -0.91 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qnd s GLU 47 N -4.21 1.06 0.35 1.97 8.01 -1.26 -3.05 118.70 121.56 1qnd s GLU 47 Ca 0.36 -0.26 0.09 0.00 0.01 0.00 0.00 54.97 55.17 1qnd s GLU 47 Cb -0.05 -0.97 -0.05 0.00 -4.31 0.00 0.00 34.13 28.75 1qnd s GLU 47 CO 0.29 0.03 0.06 0.00 0.01 0.00 0.00 175.26 175.65 1qnd s ALA 48 N 0.51 3.31 -0.17 5.21 0.00 0.12 -4.61 121.76 126.13 1qnd s ALA 48 Ca -0.08 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 49.89 1qnd s ALA 48 Cb -0.12 -0.46 0.08 0.00 0.00 0.00 0.00 23.12 22.62 1qnd s ALA 48 CO 0.01 0.04 0.31 0.99 0.00 0.00 0.00 175.76 177.11 1qnd s THR 49 N -2.50 -0.48 -0.08 0.00 2.01 -1.26 -1.47 115.64 111.87 1qnd s THR 49 Ca 0.36 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 1qnd s THR 49 Cb -0.00 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1qnd s THR 49 CO 0.20 0.04 0.84 0.26 -0.69 0.00 0.00 174.62 175.27 1qnd s TRP 50 N 2.47 3.56 0.18 4.92 0.51 -1.24 -3.32 118.94 126.02 1qnd s TRP 50 Ca 0.03 1.40 -0.13 0.00 -2.12 0.00 0.00 56.10 55.28 1qnd s TRP 50 Cb -0.13 -2.98 -0.07 0.00 -0.81 0.00 0.00 33.47 29.48 1qnd s TRP 50 CO -0.11 -0.05 0.57 0.08 -0.51 0.00 0.00 176.95 176.94 1qnd s VAL 51 N 1.29 4.85 -0.27 4.03 1.01 -1.08 -1.10 120.40 129.14 1qnd s VAL 51 Ca 0.43 0.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.16 1qnd s VAL 51 Cb -0.18 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1qnd s VAL 51 CO 0.19 0.13 0.04 -0.69 0.00 0.00 0.00 175.10 174.77 1qnd s VAL 52 N -1.60 1.09 -0.56 2.92 1.01 0.44 -0.51 120.40 123.19 1qnd s VAL 52 Ca 0.42 -1.25 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1qnd s VAL 52 Cb -0.14 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1qnd s VAL 52 CO 0.20 -0.42 1.08 -0.62 0.00 0.00 0.00 175.10 175.34 1qnd s ASP 53 N 1.55 6.42 -0.36 3.32 -1.08 -0.11 -1.27 116.67 125.14 1qnd s ASP 53 Ca 0.03 -0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.11 1qnd s ASP 53 Cb -0.18 -2.50 0.45 0.00 -1.46 0.00 0.00 42.92 39.23 1qnd s ASP 53 CO -0.15 -1.35 1.08 1.33 0.52 0.00 0.00 175.17 176.61 1qnd n VAL 54 N 6.48 1.94 0.04 1.11 0.24 -0.48 -1.43 118.33 126.23 1qnd n VAL 54 Ca 0.06 -4.12 0.00 0.00 -2.04 0.00 0.00 64.34 58.24 1qnd n VAL 54 Cb 0.48 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.43 0.00 -3.51 7.34 4.81 -1.08 -1.03 118.16 124.26 1qnd n LYS 55 Ca 0.29 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.35 1qnd n LYS 55 Cb 0.77 -0.27 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 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 -5.24 6.80 1.44 3.14 0.01 -1.26 -4.79 114.94 115.03 1qnd s ASN 56 Ca 0.00 0.95 0.00 0.00 -0.71 0.00 0.00 52.86 53.10 1qnd s ASN 56 Cb 0.00 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1qnd s ASN 56 CO 0.00 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 1qnd n GLY 57 N 1.72 2.53 0.95 0.66 0.00 -1.26 -1.12 105.19 108.68 1qnd n GLY 57 Ca -0.13 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 12.88 2.29 -0.15 1.61 5.02 -1.26 -4.89 118.16 133.65 1qnd n LYS 58 Ca 0.00 -2.09 0.01 0.00 -2.02 0.00 0.00 58.31 54.21 1qnd n LYS 58 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.16 -2.77 3.58 0.72 0.00 -0.27 -2.42 105.19 105.19 1qnd n GLY 59 Ca 0.16 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1qnd n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qnd s SER 60 N -4.01 -0.27 -0.34 1.61 0.01 -0.52 -4.66 113.70 105.53 1qnd s SER 60 Ca 0.00 0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 1qnd s SER 60 Cb 0.00 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 1qnd s SER 60 CO 0.00 -0.32 0.21 -0.69 0.41 0.00 0.00 173.24 172.86 1qnd s VAL 61 N -1.67 5.02 -0.29 3.43 1.01 -1.26 -0.93 120.40 125.70 1qnd s VAL 61 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1qnd s VAL 61 Cb -0.01 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1qnd s VAL 61 CO -0.03 -0.01 0.14 -0.76 0.00 0.00 0.00 175.10 174.44 1qnd s LEU 62 N 1.68 3.96 0.25 3.92 1.43 0.33 -4.96 118.68 125.28 1qnd s LEU 62 Ca 0.05 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1qnd s LEU 62 Cb -0.17 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 1qnd s LEU 62 CO 0.09 -0.13 0.97 -2.16 0.23 0.00 0.00 176.35 175.34 1qnd s PRO 63 N 1.65 4.81 -0.49 1.29 0.04 -1.26 -2.62 135.00 138.41 1qnd s PRO 63 Ca 0.06 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1qnd s PRO 63 Cb -0.16 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1qnd s PRO 63 CO 0.07 0.46 0.00 0.09 0.04 0.00 0.00 177.00 177.66 1qnd n ASN 64 N 1.41 -2.28 -4.77 6.66 3.02 -1.21 -4.88 115.26 113.20 1qnd n ASN 64 Ca -0.02 0.35 -0.40 0.00 -0.03 0.00 0.00 54.58 54.48 1qnd n ASN 64 Cb 0.47 -2.04 -0.01 0.00 -0.61 0.00 0.00 39.78 37.59 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 -1.98 6.43 0.50 6.41 0.15 -1.16 -4.91 113.70 119.15 1qnd s SER 65 Ca 0.00 2.75 0.29 0.00 0.70 0.00 0.00 55.95 59.69 1qnd s SER 65 Cb 0.00 -2.65 0.90 0.00 -1.71 0.00 0.00 66.02 62.57 1qnd s SER 65 CO 0.00 -0.78 1.82 -0.78 1.20 0.00 0.00 173.24 174.70 1qnd h ASP 66 N 2.93 0.00 -2.13 5.45 1.82 -1.93 -3.45 116.42 119.10 1qnd h ASP 66 Ca -0.50 0.00 -0.60 0.00 -0.39 0.00 0.00 57.03 55.54 1qnd h ASP 66 Cb 1.24 0.00 0.04 0.00 0.68 0.00 0.00 39.33 41.29 1qnd h ASP 66 CO 0.64 0.01 0.87 0.29 -1.61 0.00 0.00 179.24 179.44 1qnd n LYS 67 N -3.11 2.05 -0.34 0.28 5.02 -1.26 -4.97 118.16 115.84 1qnd n LYS 67 Ca 0.02 0.74 -0.22 0.00 -2.02 0.00 0.00 58.31 56.84 1qnd n LYS 67 Cb 0.41 -2.52 0.20 0.00 -0.02 0.00 0.00 35.03 33.09 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 4.39 -3.58 -4.08 1.97 2.85 -1.26 -5.02 118.16 113.42 1qnd n LYS 68 Ca 0.19 -1.10 -0.07 0.00 -1.05 0.00 0.00 58.31 56.28 1qnd n LYS 68 Cb 0.28 -1.29 -0.10 0.00 -0.65 0.00 0.00 35.03 33.27 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 -2.38 0.48 0.08 0.58 0.00 -1.26 -4.89 121.76 114.38 1qnd s ALA 69 Ca 0.48 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1qnd s ALA 69 Cb -0.07 0.26 -0.17 0.00 0.00 0.00 0.00 23.12 23.14 1qnd s ALA 69 CO 0.39 -0.35 1.66 0.22 0.00 0.00 0.00 175.76 177.69 1qnd h ASP 70 N 3.27 -0.52 -5.40 0.00 3.58 -1.48 -3.47 116.42 112.40 1qnd h ASP 70 Ca -0.34 0.02 -0.14 0.00 0.42 0.00 0.00 57.03 56.99 1qnd h ASP 70 Cb 1.15 0.14 -0.12 0.00 1.72 0.00 0.00 39.33 42.22 1qnd h ASP 70 CO 0.64 -0.36 -0.35 0.00 -2.88 0.00 0.00 179.24 176.29 1qnd n THR 72 N -0.33 0.00 -4.07 0.00 -1.04 -1.26 -2.48 114.28 105.11 1qnd n THR 72 Ca -0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1qnd n THR 72 Cb 0.64 -0.28 -0.04 0.00 -1.82 0.00 0.00 70.33 68.83 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 0.50 0.00 -0.04 12.58 2.07 -1.04 -3.85 121.20 131.41 1qnd s ILE 73 Ca 0.00 -1.55 -0.04 0.00 -1.41 0.00 0.00 60.65 57.65 1qnd s ILE 73 Cb 0.00 -2.64 0.01 0.00 0.13 0.00 0.00 42.46 39.97 1qnd s ILE 73 CO 0.00 0.00 0.11 -0.89 -1.91 0.00 0.00 174.94 172.25 1qnd s THR 74 N -3.05 -0.01 0.00 4.00 2.01 -1.26 -2.93 115.64 114.41 1qnd s THR 74 Ca 0.29 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1qnd s THR 74 Cb -0.01 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1qnd s THR 74 CO 0.19 0.01 0.00 0.23 -0.69 0.00 0.00 174.62 174.36 1qnd n MET 75 N 3.16 2.46 -1.56 4.92 2.81 -1.26 -4.35 117.12 123.29 1qnd n MET 75 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1qnd n MET 75 Cb 0.58 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 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 -0.28 -1.93 -0.06 3.04 0.00 -1.26 -4.50 120.51 115.51 1qnd n ALA 76 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 1qnd n ALA 76 Cb 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 1.12 0.45 -0.64 0.00 3.58 -0.80 0.30 116.42 120.42 1qnd h ASP 77 Ca 0.00 -0.47 0.09 0.00 0.42 0.00 0.00 57.03 57.07 1qnd h ASP 77 Cb 0.32 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.18 1qnd h ASP 77 CO 0.00 0.83 0.28 0.77 -2.88 0.00 0.00 179.24 178.24 1qnd h SER 78 N 0.07 0.34 0.08 2.28 4.64 -1.67 0.53 113.55 119.81 1qnd h SER 78 Ca 0.03 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1qnd h SER 78 Cb 0.70 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1qnd h SER 78 CO 0.04 0.20 -0.04 -0.78 -0.87 0.00 0.00 176.83 175.38 1qnd h ASP 79 N 0.50 -0.09 -0.42 4.97 1.82 -1.78 -2.62 116.42 118.79 1qnd h ASP 79 Ca 0.32 -0.31 0.09 0.00 -0.39 0.00 0.00 57.03 56.74 1qnd h ASP 79 Cb 0.36 0.02 -0.09 0.00 0.68 0.00 0.00 39.33 40.30 1qnd h ASP 79 CO -0.28 0.27 -0.16 -0.26 -1.61 0.00 0.00 179.24 177.20 1qnd h PHE 80 N -0.47 -0.38 0.21 0.28 0.04 -0.53 0.97 116.94 117.06 1qnd h PHE 80 Ca -0.01 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1qnd h PHE 80 Cb 0.40 0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 1qnd h PHE 80 CO 0.04 -0.24 -0.28 1.25 -0.60 0.00 0.00 178.31 178.48 1qnd h LEU 81 N -0.07 -0.79 -0.88 1.54 5.85 -0.95 -3.00 115.31 117.01 1qnd h LEU 81 Ca 0.21 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.18 1qnd h LEU 81 Cb 0.39 0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 1qnd h LEU 81 CO -0.47 -0.34 0.43 0.00 -0.34 0.00 0.00 178.44 177.71 1qnd h ALA 82 N -1.21 1.38 -0.03 1.25 0.00 -1.12 -0.21 119.26 119.32 1qnd h ALA 82 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qnd h ALA 82 Cb 0.46 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1qnd h ALA 82 CO -0.07 -0.20 -0.08 -0.07 0.00 0.00 0.00 179.25 178.82 1qnd h LEU 83 N 0.53 -0.27 -0.56 0.00 4.07 -0.69 -0.22 115.31 118.17 1qnd h LEU 83 Ca 0.52 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.42 1qnd h LEU 83 Cb 0.86 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1qnd h LEU 83 CO -0.44 -0.07 -0.40 0.00 -1.08 0.00 0.00 178.44 176.45 1qnd h MET 84 N -0.08 0.00 0.00 1.13 -0.00 -1.37 -3.08 114.93 111.53 1qnd h MET 84 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1qnd h MET 84 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1qnd h MET 84 CO -0.07 0.40 0.00 2.41 -0.00 0.00 0.00 176.91 179.65 1qnd n THR 85 N -3.37 0.67 0.00 -0.10 -1.04 -0.11 -4.74 114.28 105.59 1qnd n THR 85 Ca 0.01 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1qnd n THR 85 Cb 0.59 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1qnd n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qnd n GLY 86 N 0.53 1.62 0.06 3.41 0.00 -0.69 -5.01 105.19 105.11 1qnd n GLY 86 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.38 1.67 -3.94 1.61 0.00 -0.18 -5.05 118.16 111.89 1qnd n LYS 87 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 58.31 58.18 1qnd n LYS 87 Cb 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 35.03 33.67 1qnd n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qnd s MET 88 N -2.38 2.11 0.28 1.64 0.23 -1.25 -5.00 119.30 114.94 1qnd s MET 88 Ca -0.07 -1.61 -0.27 0.00 -1.03 0.00 0.00 55.69 52.71 1qnd s MET 88 Cb 0.04 0.54 -0.15 0.00 -1.53 0.00 0.00 34.83 33.74 1qnd s MET 88 CO 0.57 -0.94 0.78 0.09 -2.03 0.00 0.00 175.02 173.49 1qnd n ASN 89 N -1.47 0.16 -1.73 -1.18 3.02 -1.26 -4.68 115.26 108.12 1qnd n ASN 89 Ca -0.04 1.12 -0.03 0.00 -0.03 0.00 0.00 54.58 55.60 1qnd n ASN 89 Cb 0.61 -1.16 -0.05 0.00 -0.61 0.00 0.00 39.78 38.58 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 0.79 1.12 -2.79 3.52 -0.04 -1.26 -4.32 135.00 132.01 1qnd n PRO 90 Ca 0.12 -0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.26 1qnd n PRO 90 Cb 0.31 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1qnd n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qnd n GLN 91 N 1.88 0.56 0.22 0.54 10.64 -1.26 -4.46 117.38 125.50 1qnd n GLN 91 Ca 0.11 -2.06 0.08 0.00 -1.83 0.00 0.00 57.00 53.31 1qnd n GLN 91 Cb 0.54 -1.48 0.47 0.00 -0.86 0.00 0.00 30.24 28.91 1qnd n GLN 91 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qnd h SER 92 N 4.85 0.00 0.00 2.61 4.64 -1.93 -3.32 113.55 120.40 1qnd h SER 92 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qnd h SER 92 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1qnd h SER 92 CO 0.09 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 1qnd n ALA 93 N -2.28 0.00 -0.40 5.18 0.00 -1.26 -4.48 120.51 117.26 1qnd n ALA 93 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1qnd n ALA 93 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1qnd n ALA 93 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qnd n PHE 94 N -0.01 -0.15 0.25 0.00 7.35 -1.25 -2.27 117.46 121.38 1qnd n PHE 94 Ca 0.00 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1qnd n PHE 94 Cb 0.00 0.05 0.13 0.00 0.35 0.00 0.00 39.48 40.01 1qnd n PHE 94 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1qnd n PHE 95 N 0.00 0.00 0.00 -5.13 3.01 -1.26 -4.33 117.46 109.75 1qnd n PHE 95 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1qnd n PHE 95 Cb 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 1qnd n PHE 95 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1qnd n GLN 96 N -1.17 0.00 0.00 -1.08 6.02 -0.96 -5.09 117.38 115.10 1qnd n GLN 96 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1qnd n GLN 96 Cb 0.03 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.29 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 4.17 0.00 0.00 1.08 0.00 -1.23 -5.00 105.19 104.20 1qnd n GLY 97 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.25 -3.97 1.61 4.76 -1.26 -4.86 118.16 114.69 1qnd n LYS 98 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1qnd n LYS 98 Cb 0.00 -1.15 0.01 0.00 -1.84 0.00 0.00 35.03 32.05 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 -0.65 -0.16 -4.74 -0.35 7.94 -1.26 -4.72 117.00 113.06 1qnd n LEU 99 Ca 0.02 -0.97 -0.31 0.00 -1.11 0.00 0.00 56.01 53.64 1qnd n LEU 99 Cb 0.01 -1.19 0.11 0.00 0.53 0.00 0.00 43.42 42.88 1qnd n LEU 99 CO 0.01 0.61 0.69 -1.59 -1.11 0.00 0.00 177.39 176.00 1qnd s LYS 100 N -6.70 1.93 0.42 1.96 0.00 -1.26 -4.63 119.74 111.45 1qnd s LYS 100 Ca 0.35 1.23 0.08 0.00 0.00 0.00 0.00 55.97 57.62 1qnd s LYS 100 Cb -0.19 -1.86 0.01 0.00 0.00 0.00 0.00 37.83 35.79 1qnd s LYS 100 CO 0.73 -1.89 0.56 0.42 0.00 0.00 0.00 175.35 175.17 1qnd s ILE 101 N -2.85 3.04 0.09 3.79 1.09 -1.26 -4.82 121.20 120.28 1qnd s ILE 101 Ca 0.62 -1.00 -0.02 0.00 -1.10 0.00 0.00 60.65 59.15 1qnd s ILE 101 Cb -0.18 -3.02 0.02 0.00 -1.06 0.00 0.00 42.46 38.22 1qnd s ILE 101 CO 0.57 -0.01 0.10 0.35 -0.10 0.00 0.00 174.94 175.85 1qnd n THR 102 N -1.84 0.00 0.00 2.92 -2.24 -1.25 -4.66 114.28 107.21 1qnd n THR 102 Ca 0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1qnd n THR 102 Cb 0.59 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 3.10 -1.29 0.00 3.38 0.00 -1.26 -4.29 105.19 104.82 1qnd n GLY 103 Ca 0.01 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1qnd n GLY 103 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qnd n ASN 104 N 0.00 0.00 -3.75 1.61 4.13 -1.26 -4.85 115.26 111.14 1qnd n ASN 104 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 1qnd n ASN 104 Cb 0.00 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.17 1qnd n ASN 104 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1qnd s MET 105 N 0.40 0.84 0.58 3.52 1.75 -1.26 -5.00 119.30 120.13 1qnd s MET 105 Ca 0.00 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 1qnd s MET 105 Cb 0.00 0.36 0.00 0.00 2.84 0.00 0.00 34.83 38.03 1qnd s MET 105 CO 0.00 -0.28 0.00 0.41 -0.65 0.00 0.00 175.02 174.50 1qnd n GLY 106 N 0.44 2.19 5.48 2.11 0.00 -1.26 -4.63 105.19 109.52 1qnd n GLY 106 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.23 0.99 4.77 -1.26 -0.83 117.00 120.90 1qnd n LEU 107 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1qnd n LEU 107 Cb 0.00 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 41.88 1qnd n LEU 107 CO 0.00 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.03 1qnd h ALA 108 N -0.45 1.00 -0.06 -1.18 0.00 -1.92 -3.04 119.26 113.60 1qnd h ALA 108 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1qnd h ALA 108 Cb 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.51 1qnd h ALA 108 CO 0.00 0.00 -0.88 -0.12 0.00 0.00 0.00 179.25 178.25 1qnd n MET 109 N -2.65 0.74 -0.33 0.00 0.00 -0.01 -4.54 117.12 110.33 1qnd n MET 109 Ca -0.01 -2.58 -0.03 0.00 -0.00 0.00 0.00 57.70 55.08 1qnd n MET 109 Cb 0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 33.22 32.62 1qnd n MET 109 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1qnd n LYS 110 N -0.10 0.67 -0.60 2.12 2.85 -1.15 -4.89 118.16 117.05 1qnd n LYS 110 Ca 0.11 -0.22 0.08 0.00 -1.05 0.00 0.00 58.31 57.24 1qnd n LYS 110 Cb 0.98 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.85 1qnd n LYS 110 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1qnd n LEU 111 N 2.27 0.00 -0.07 -5.58 -0.00 -1.26 -4.20 117.00 108.15 1qnd n LEU 111 Ca 0.09 0.65 -0.08 0.00 -0.00 0.00 0.00 56.01 56.67 1qnd n LEU 111 Cb 0.32 -1.95 -0.04 0.00 -0.00 0.00 0.00 43.42 41.74 1qnd n LEU 111 CO 0.09 -1.50 -0.22 1.56 -0.00 0.00 0.00 177.39 177.32 1qnd h GLN 112 N 0.00 0.00 0.00 1.47 4.20 -1.92 -3.41 115.11 115.44 1qnd h GLN 112 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1qnd h GLN 112 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1qnd h GLN 112 CO 0.00 0.30 0.00 -1.71 -0.67 0.00 0.00 178.83 176.76 1qnd n ASN 113 N -4.62 0.00 -0.83 1.46 5.15 -1.25 0.34 115.26 115.51 1qnd n ASN 113 Ca -0.11 0.01 0.09 0.00 -0.60 0.00 0.00 54.58 53.97 1qnd n ASN 113 Cb 0.30 -0.15 0.24 0.00 -0.53 0.00 0.00 39.78 39.65 1qnd n ASN 113 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1qnd n LEU 114 N -1.15 2.44 -2.71 1.20 7.94 -1.26 -4.39 117.00 119.07 1qnd n LEU 114 Ca 0.04 -1.17 -0.04 0.00 -1.11 0.00 0.00 56.01 53.73 1qnd n LEU 114 Cb 0.03 -0.27 0.10 0.00 0.53 0.00 0.00 43.42 43.82 1qnd n LEU 114 CO 0.04 0.58 0.38 0.00 -1.11 0.00 0.00 177.39 177.29 1qnd n GLN 115 N 0.83 1.34 -0.55 1.96 6.02 0.15 -4.83 117.38 122.31 1qnd n GLN 115 Ca 0.16 -2.07 0.07 0.00 -0.01 0.00 0.00 57.00 55.15 1qnd n GLN 115 Cb 0.40 -0.29 -0.02 0.00 1.02 0.00 0.00 30.24 31.35 1qnd n GLN 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qnd n LEU 116 N -0.88 0.00 -4.31 1.08 4.77 -1.18 -4.75 117.00 111.74 1qnd n LEU 116 Ca -0.05 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 1qnd n LEU 116 Cb 0.85 -1.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.02 1qnd n LEU 116 CO -0.04 -1.31 -0.26 -1.10 -1.33 0.00 0.00 177.39 173.36 1qnd s GLN 117 N -1.17 1.39 0.97 3.23 -0.21 -1.26 -3.85 119.66 118.77 1qnd s GLN 117 Ca 0.00 -1.75 -0.16 0.00 0.02 0.00 0.00 55.36 53.48 1qnd s GLN 117 Cb 0.00 -0.23 0.19 0.00 1.00 0.00 0.00 33.01 33.97 1qnd s GLN 117 CO 0.00 -0.30 1.26 -1.25 -2.12 0.00 0.00 175.29 172.89 1qnd s PRO 118 N -4.04 0.59 0.00 2.91 0.04 -1.26 -4.94 135.00 128.30 1qnd s PRO 118 Ca 0.37 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1qnd s PRO 118 Cb 0.08 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1qnd s PRO 118 CO 0.13 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1qnd n GLY 119 N -3.20 0.76 3.12 0.56 0.00 -1.26 -5.16 105.19 100.00 1qnd n GLY 119 Ca 0.13 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.27 0.08 -0.20 1.61 3.84 -1.26 -4.99 114.94 112.75 1qnd s ASN 120 Ca 0.00 -0.35 -0.01 0.00 0.21 0.00 0.00 52.86 52.71 1qnd s ASN 120 Cb 0.00 0.22 0.00 0.00 -0.55 0.00 0.00 41.25 40.92 1qnd s ASN 120 CO 0.00 -0.44 0.01 0.00 -2.79 0.00 0.00 177.10 173.88 1qnd n ALA 121 N 1.11 -2.97 -2.31 1.71 0.00 -1.26 -5.10 120.51 111.69 1qnd n ALA 121 Ca -0.21 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1qnd n ALA 121 Cb 0.57 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 1qnd n ALA 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qnd s LYS 122 N -1.34 1.05 0.00 0.00 -2.85 -1.26 -5.31 119.74 110.03 1qnd s LYS 122 Ca -0.02 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 1qnd s LYS 122 Cb 0.00 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1qnd s LYS 122 CO 0.52 -0.33 0.00 1.28 0.10 0.00 0.00 175.35 176.92