#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 -0.64 -2.90 4.04 3.41 -1.26 -5.07 113.62 111.20 1qnd n SER 2 Ca 0.00 0.13 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1qnd n SER 2 Cb 0.00 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qnd n ALA 3 N -1.95 -2.48 -1.00 7.33 0.00 -1.26 -5.05 120.51 116.10 1qnd n ALA 3 Ca -0.00 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1qnd n ALA 3 Cb 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.67 0.00 -1.67 0.00 7.64 -1.26 -4.72 113.62 115.28 1qnd n SER 4 Ca -0.12 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.56 1qnd n SER 4 Cb 0.30 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 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 -5.40 -3.34 6.43 9.92 -1.26 -4.87 116.55 118.03 1qnd n ASP 5 Ca 0.00 0.35 -0.27 0.00 -0.53 0.00 0.00 54.79 54.34 1qnd n ASP 5 Cb 0.00 -4.56 -0.07 0.00 -0.64 0.00 0.00 41.12 35.85 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qnd n GLY 6 N -0.70 4.84 3.31 0.44 0.00 -1.26 -4.73 105.19 107.08 1qnd n GLY 6 Ca -0.20 -2.72 -0.10 0.00 0.00 0.00 0.00 46.02 42.99 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 -2.57 -0.19 0.40 1.61 0.40 -1.26 -4.95 117.98 111.41 1qnd s PHE 7 Ca 0.41 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.68 1qnd s PHE 7 Cb 0.17 0.25 0.82 0.00 0.51 0.00 0.00 43.02 44.76 1qnd s PHE 7 CO -0.03 -0.69 2.04 -0.22 0.70 0.00 0.00 175.22 177.02 1qnd h LYS 8 N 2.39 0.60 0.00 0.44 3.64 -2.02 -2.11 116.57 119.52 1qnd h LYS 8 Ca -0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1qnd h LYS 8 Cb 1.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1qnd h LYS 8 CO 0.47 0.40 0.15 0.00 -2.27 0.00 0.00 179.45 178.20 1qnd n ALA 9 N -2.47 0.71 0.04 5.00 0.00 -1.26 -3.11 120.51 119.42 1qnd n ALA 9 Ca 0.04 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1qnd n ALA 9 Cb 0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.52 -0.08 0.00 -0.73 -1.67 -1.52 115.58 111.06 1qnd h ASN 10 Ca 0.00 0.08 -0.06 0.00 1.87 0.00 0.00 56.30 58.19 1qnd h ASN 10 Cb 0.30 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1qnd h ASN 10 CO 0.00 -0.23 -0.13 0.17 -0.37 0.00 0.00 177.43 176.87 1qnd h LEU 11 N -0.26 0.39 0.38 0.34 -0.00 -1.81 -1.11 115.31 113.24 1qnd h LEU 11 Ca 0.07 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1qnd h LEU 11 Cb 0.36 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1qnd h LEU 11 CO -0.20 0.55 -0.24 0.58 -0.00 0.00 0.00 178.44 179.14 1qnd h VAL 12 N 0.38 0.50 0.00 0.15 2.07 -1.56 -0.64 116.25 117.15 1qnd h VAL 12 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1qnd h VAL 12 Cb 0.46 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1qnd h VAL 12 CO 0.03 0.00 -0.14 -0.26 0.02 0.00 0.00 177.57 177.21 1qnd h PHE 13 N -0.59 0.00 -0.37 1.57 0.04 -1.17 -2.71 116.94 113.71 1qnd h PHE 13 Ca -0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 1qnd h PHE 13 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1qnd h PHE 13 CO -0.10 0.14 -0.26 -0.22 -0.60 0.00 0.00 178.31 177.27 1qnd h LYS 14 N 0.00 0.76 -0.54 1.51 3.64 -0.40 -2.59 116.57 118.96 1qnd h LYS 14 Ca -0.00 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1qnd h LYS 14 Cb 0.56 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1qnd h LYS 14 CO 0.02 0.94 0.02 0.93 -2.27 0.00 0.00 179.45 179.09 1qnd h GLU 15 N 0.66 0.91 -0.49 1.90 4.39 -0.81 0.55 114.58 121.69 1qnd h GLU 15 Ca 0.08 -0.26 0.09 0.00 0.34 0.00 0.00 59.36 59.62 1qnd h GLU 15 Cb 0.78 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 1qnd h GLU 15 CO 0.06 0.89 0.06 0.82 -1.16 0.00 0.00 179.01 179.69 1qnd h ILE 16 N 0.85 0.68 -0.50 3.13 2.04 -1.50 0.68 117.51 122.89 1qnd h ILE 16 Ca 0.16 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1qnd h ILE 16 Cb 0.48 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1qnd h ILE 16 CO 0.02 0.03 0.13 -0.08 0.00 0.00 0.00 178.15 178.25 1qnd h GLU 17 N 0.18 0.80 -0.57 2.37 4.81 -0.96 -2.83 114.58 118.39 1qnd h GLU 17 Ca 0.25 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1qnd h GLU 17 Cb 0.35 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1qnd h GLU 17 CO -0.36 0.77 0.23 -0.22 -0.73 0.00 0.00 179.01 178.70 1qnd h LYS 18 N 0.69 0.85 -0.57 1.92 3.11 0.10 0.16 116.57 122.84 1qnd h LYS 18 Ca 0.16 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1qnd h LYS 18 Cb 0.32 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1qnd h LYS 18 CO 0.00 0.73 0.37 -0.22 -2.81 0.00 0.00 179.45 177.52 1qnd h LYS 19 N 0.78 0.76 0.00 1.90 1.63 -0.90 0.27 116.57 121.01 1qnd h LYS 19 Ca 0.19 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 1qnd h LYS 19 Cb 0.20 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1qnd h LYS 19 CO -0.02 0.51 -0.45 -0.07 -3.45 0.00 0.00 179.45 175.98 1qnd h LEU 20 N 0.78 0.00 0.33 5.20 3.38 -0.77 -1.79 115.31 122.44 1qnd h LEU 20 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1qnd h LEU 20 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1qnd h LEU 20 CO -0.04 0.45 -0.16 -0.33 0.09 0.00 0.00 178.44 178.44 1qnd h GLU 21 N 0.00 -0.43 -0.54 1.13 4.39 0.12 -0.71 114.58 118.53 1qnd h GLU 21 Ca -0.00 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1qnd h GLU 21 Cb 0.96 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1qnd h GLU 21 CO 0.06 -0.17 0.28 0.93 -1.16 0.00 0.00 179.01 178.94 1qnd h GLU 22 N -0.64 0.77 0.00 2.33 5.08 -0.68 -3.38 114.58 118.06 1qnd h GLU 22 Ca -0.05 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.02 1qnd h GLU 22 Cb 0.46 -0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.43 1qnd h GLU 22 CO 0.08 0.62 -0.32 -1.91 -1.00 0.00 0.00 179.01 176.48 1qnd n GLU 23 N -4.59 0.67 0.19 2.33 2.13 -0.70 -5.01 120.64 115.66 1qnd n GLU 23 Ca 0.03 -1.49 0.14 0.00 0.66 0.00 0.00 57.16 56.49 1qnd n GLU 23 Cb 0.11 -0.93 0.48 0.00 0.27 0.00 0.00 31.44 31.36 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 3.24 0.00 1.32 8.31 0.00 -1.14 -3.36 103.07 111.43 1qnd h GLY 24 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1qnd h GLY 24 CO 0.13 0.00 0.34 1.05 0.00 0.00 0.00 176.54 178.06 1qnd h GLU 25 N 0.00 0.48 0.24 4.80 4.11 -1.73 0.76 114.58 123.24 1qnd h GLU 25 Ca 0.00 -0.03 -0.33 0.00 0.07 0.00 0.00 59.36 59.07 1qnd h GLU 25 Cb 0.60 -0.11 0.04 0.00 0.50 0.00 0.00 28.75 29.78 1qnd h GLU 25 CO 0.00 0.32 -1.46 0.37 0.07 0.00 0.00 179.01 178.31 1qnd h GLN 26 N 0.50 0.51 0.00 1.06 4.15 -1.87 -3.32 115.11 116.15 1qnd h GLN 26 Ca 0.22 -0.88 -0.03 0.00 0.77 0.00 0.00 58.65 58.72 1qnd h GLN 26 Cb 0.23 0.33 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1qnd h GLN 26 CO -0.06 1.42 -0.16 0.74 -1.93 0.00 0.00 178.83 178.84 1qnd h PHE 27 N 0.14 0.00 -0.00 3.99 0.04 -1.12 0.78 116.94 120.77 1qnd h PHE 27 Ca -0.24 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.55 1qnd h PHE 27 Cb 2.15 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.27 1qnd h PHE 27 CO 0.12 0.16 -0.15 0.28 -0.60 0.00 0.00 178.31 178.12 1qnd h VAL 28 N 0.00 0.63 0.00 -0.55 2.07 -1.13 -2.60 116.25 114.67 1qnd h VAL 28 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qnd h VAL 28 Cb 0.29 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1qnd h VAL 28 CO 0.02 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.72 1qnd h LYS 29 N -0.25 0.00 0.02 1.57 1.79 -1.00 -0.29 116.57 118.41 1qnd h LYS 29 Ca 0.05 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1qnd h LYS 29 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1qnd h LYS 29 CO -0.15 0.00 -0.01 0.87 -1.08 0.00 0.00 179.45 179.08 1qnd h LYS 30 N 0.00 -0.02 0.14 3.15 1.57 -0.84 -3.41 116.57 117.15 1qnd h LYS 30 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1qnd h LYS 30 Cb 0.38 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1qnd h LYS 30 CO 0.00 -0.02 -0.07 0.82 -0.57 0.00 0.00 179.45 179.62 1qnd h ILE 31 N -0.06 0.81 -5.13 1.86 5.03 -1.51 -3.39 117.51 115.12 1qnd h ILE 31 Ca -0.00 -1.21 -0.11 0.00 -0.12 0.00 0.00 64.86 63.41 1qnd h ILE 31 Cb 0.02 1.40 0.09 0.00 -3.03 0.00 0.00 36.82 35.30 1qnd h ILE 31 CO 0.00 0.23 -0.38 0.61 -0.68 0.00 0.00 178.15 177.93 1qnd n GLY 32 N 0.82 -1.03 3.64 5.37 0.00 -0.12 -4.15 105.19 109.72 1qnd n GLY 32 Ca -0.07 0.44 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.11 -0.15 0.22 -0.02 0.00 -0.17 -4.90 107.32 99.18 1qnd s GLY 33 Ca 0.20 2.07 -0.30 0.00 0.00 0.00 0.00 44.72 46.69 1qnd s GLY 33 CO 0.66 0.72 1.09 -0.42 0.00 0.00 0.00 173.10 175.15 1qnd s ILE 34 N -1.88 3.73 0.26 0.90 1.09 -1.26 -3.14 121.20 120.91 1qnd s ILE 34 Ca 0.11 1.59 0.02 0.00 -1.10 0.00 0.00 60.65 61.27 1qnd s ILE 34 Cb -0.01 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 1qnd s ILE 34 CO -0.04 0.32 0.06 0.72 -0.10 0.00 0.00 174.94 175.90 1qnd s PHE 35 N -0.61 1.62 0.25 3.97 -0.71 -0.95 -1.10 117.98 120.45 1qnd s PHE 35 Ca 0.47 -1.07 0.11 0.00 -1.04 0.00 0.00 56.93 55.40 1qnd s PHE 35 Cb -0.30 -0.97 -0.05 0.00 -1.21 0.00 0.00 43.02 40.49 1qnd s PHE 35 CO 0.37 -0.20 -0.20 0.00 -1.34 0.00 0.00 175.22 173.86 1qnd s ALA 36 N -3.58 2.59 -0.31 1.99 0.00 -0.88 -0.66 121.76 120.91 1qnd s ALA 36 Ca 0.35 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 1qnd s ALA 36 Cb 0.08 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1qnd s ALA 36 CO 0.13 0.27 0.10 -0.06 0.00 0.00 0.00 175.76 176.20 1qnd s PHE 37 N -2.41 3.18 -0.30 0.00 0.08 -0.46 -2.58 117.98 115.49 1qnd s PHE 37 Ca 0.27 -1.06 -0.25 0.00 0.12 0.00 0.00 56.93 56.01 1qnd s PHE 37 Cb -0.05 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1qnd s PHE 37 CO 0.13 -0.61 0.89 0.15 -0.10 0.00 0.00 175.22 175.67 1qnd s LYS 38 N 1.49 4.02 -0.31 0.44 3.01 -0.22 -3.66 119.74 124.51 1qnd s LYS 38 Ca 0.02 0.79 0.00 0.00 -1.01 0.00 0.00 55.97 55.77 1qnd s LYS 38 Cb -0.18 -3.72 0.09 0.00 -1.01 0.00 0.00 37.83 33.02 1qnd s LYS 38 CO 0.03 -0.73 0.07 0.08 0.51 0.00 0.00 175.35 175.31 1qnd s VAL 39 N 3.16 1.25 0.00 3.17 1.01 -0.88 -2.85 120.40 125.26 1qnd s VAL 39 Ca 0.37 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1qnd s VAL 39 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1qnd s VAL 39 CO 0.13 -0.59 0.00 2.29 0.00 0.00 0.00 175.10 176.93 1qnd n LYS 40 N 4.70 1.48 -3.77 2.72 2.85 -1.26 -1.03 118.16 123.85 1qnd n LYS 40 Ca -0.02 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.96 1qnd n LYS 40 Cb 0.42 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.83 1qnd n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1qnd n ASP 41 N -2.05 -5.02 -3.84 -5.58 2.03 -1.03 -0.86 116.55 100.20 1qnd n ASP 41 Ca 0.00 -0.69 -0.30 0.00 0.52 0.00 0.00 54.79 54.33 1qnd n ASP 41 Cb 0.00 -4.01 0.25 0.00 -0.72 0.00 0.00 41.12 36.64 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 -3.21 1.52 0.00 0.27 0.00 -1.16 -4.11 107.32 100.63 1qnd s GLY 42 Ca 0.62 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.60 1qnd s GLY 42 CO 0.76 0.11 1.06 -1.55 0.00 0.00 0.00 173.10 173.48 1qnd n PRO 43 N -5.02 0.03 -0.03 2.90 -0.04 -1.26 -0.37 135.00 131.21 1qnd n PRO 43 Ca 0.11 0.34 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1qnd n PRO 43 Cb 0.59 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.00 0.85 1.50 0.55 0.00 -1.26 -5.00 105.19 100.83 1qnd n GLY 44 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.05 0.76 0.70 -0.02 0.00 0.50 -5.04 105.19 102.15 1qnd n GLY 45 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.14 0.09 -3.90 1.61 5.02 -1.26 -4.40 118.16 113.17 1qnd n LYS 46 Ca 0.00 -0.43 -0.10 0.00 -2.02 0.00 0.00 58.31 55.76 1qnd n LYS 46 Cb 0.00 -0.19 -0.10 0.00 -0.02 0.00 0.00 35.03 34.72 1qnd n LYS 46 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1qnd s GLU 47 N -3.23 0.45 0.19 1.97 -1.05 -1.26 -2.46 118.70 113.31 1qnd s GLU 47 Ca 0.13 -0.49 0.04 0.00 -0.15 0.00 0.00 54.97 54.50 1qnd s GLU 47 Cb -0.01 0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 1qnd s GLU 47 CO 0.09 -0.10 -0.06 0.00 0.95 0.00 0.00 175.26 176.14 1qnd s ALA 48 N -1.54 1.69 -0.19 -0.84 0.00 -0.19 -4.64 121.76 116.05 1qnd s ALA 48 Ca -0.14 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 1qnd s ALA 48 Cb -0.08 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.35 1qnd s ALA 48 CO 0.00 -0.16 0.53 0.99 0.00 0.00 0.00 175.76 177.13 1qnd s THR 49 N -3.34 0.00 0.18 0.00 2.01 -1.26 -2.08 115.64 111.16 1qnd s THR 49 Ca 0.23 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.29 1qnd s THR 49 Cb 0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1qnd s THR 49 CO 0.05 -0.01 -0.03 0.26 -0.69 0.00 0.00 174.62 174.19 1qnd s TRP 50 N 0.14 2.76 -0.17 4.92 0.23 -1.24 -3.99 118.94 121.60 1qnd s TRP 50 Ca -0.01 -0.17 0.01 0.00 -2.03 0.00 0.00 56.10 53.90 1qnd s TRP 50 Cb -0.04 -1.34 0.01 0.00 0.03 0.00 0.00 33.47 32.14 1qnd s TRP 50 CO 0.01 0.52 -0.19 0.08 0.96 0.00 0.00 176.95 178.33 1qnd s VAL 51 N -1.74 2.24 -0.38 4.03 1.01 -0.51 -1.35 120.40 123.70 1qnd s VAL 51 Ca 0.27 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1qnd s VAL 51 Cb -0.09 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1qnd s VAL 51 CO 0.17 0.53 0.22 -0.69 0.00 0.00 0.00 175.10 175.33 1qnd s VAL 52 N 1.07 4.62 -0.22 2.92 1.01 0.16 -0.20 120.40 129.76 1qnd s VAL 52 Ca -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1qnd s VAL 52 Cb -0.14 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1qnd s VAL 52 CO -0.07 -0.25 3.02 -0.67 0.00 0.00 0.00 175.10 177.13 1qnd n ASP 53 N 5.01 5.88 -2.51 3.32 -0.08 0.11 -2.24 116.55 126.03 1qnd n ASP 53 Ca -0.12 -2.84 -0.17 0.00 -1.51 0.00 0.00 54.79 50.16 1qnd n ASP 53 Cb 0.46 -1.29 -0.09 0.00 2.34 0.00 0.00 41.12 42.53 1qnd n ASP 53 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1qnd n VAL 54 N 1.56 2.73 0.00 5.18 0.24 -1.19 -2.95 118.33 123.90 1qnd n VAL 54 Ca 0.42 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 1qnd n VAL 54 Cb 0.71 -2.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.01 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 3.06 0.00 -3.41 7.34 0.00 -1.25 -1.00 118.16 122.90 1qnd n LYS 55 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 58.39 1qnd n LYS 55 Cb 0.53 -0.14 -0.06 0.00 0.00 0.00 0.00 35.03 35.36 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 -3.75 6.83 1.80 3.14 0.01 -1.15 -4.91 114.94 116.90 1qnd s ASN 56 Ca 0.00 1.03 0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1qnd s ASN 56 Cb 0.00 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.39 1qnd s ASN 56 CO 0.00 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1qnd n GLY 57 N 1.17 3.50 1.06 0.66 0.00 -1.26 -0.58 105.19 109.73 1qnd n GLY 57 Ca -0.08 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 2.38 0.00 1.61 4.76 -1.26 -4.95 118.16 134.70 1qnd n LYS 58 Ca 0.00 -2.08 0.00 0.00 -2.87 0.00 0.00 58.31 53.36 1qnd n LYS 58 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 1qnd n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qnd n GLY 59 N 1.45 -2.22 3.58 0.72 0.00 0.25 -2.47 105.19 106.49 1qnd n GLY 59 Ca 0.19 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.45 -0.21 0.22 1.61 0.01 -1.26 -4.78 113.70 105.84 1qnd s SER 60 Ca 0.00 -0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.27 1qnd s SER 60 Cb 0.00 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 1qnd s SER 60 CO 0.00 -0.45 0.05 -0.69 0.41 0.00 0.00 173.24 172.56 1qnd s VAL 61 N -2.76 3.87 -0.10 3.43 1.01 -1.26 -0.71 120.40 123.87 1qnd s VAL 61 Ca 0.09 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1qnd s VAL 61 Cb -0.00 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1qnd s VAL 61 CO -0.05 -0.24 -0.09 -0.76 0.00 0.00 0.00 175.10 173.96 1qnd s LEU 62 N -3.37 1.33 0.17 3.92 1.43 0.72 -4.94 118.68 117.94 1qnd s LEU 62 Ca 0.30 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 1qnd s LEU 62 Cb -0.08 -0.86 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 1qnd s LEU 62 CO 0.21 -0.08 0.57 -2.16 0.23 0.00 0.00 176.35 175.12 1qnd s PRO 63 N 1.43 3.99 -1.43 1.29 0.04 -1.26 -1.42 135.00 137.64 1qnd s PRO 63 Ca 0.00 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.39 1qnd s PRO 63 Cb -0.13 -2.89 0.16 0.00 0.04 0.00 0.00 34.50 31.68 1qnd s PRO 63 CO -0.05 0.45 0.41 0.09 0.04 0.00 0.00 177.00 177.93 1qnd n ASN 64 N 0.68 -1.15 -4.77 6.66 3.02 -1.26 -4.89 115.26 113.56 1qnd n ASN 64 Ca -0.04 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.18 1qnd n ASN 64 Cb 0.52 -1.24 0.01 0.00 -0.61 0.00 0.00 39.78 38.46 1qnd n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qnd s SER 65 N -2.91 5.69 0.29 6.41 0.15 -1.26 -4.95 113.70 117.13 1qnd s SER 65 Ca 0.57 2.29 0.22 0.00 0.70 0.00 0.00 55.95 59.73 1qnd s SER 65 Cb -0.33 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.50 1qnd s SER 65 CO 0.79 -1.24 1.25 -0.78 1.20 0.00 0.00 173.24 174.46 1qnd h ASP 66 N 1.36 0.00 -1.93 5.45 3.58 -1.96 -3.48 116.42 119.44 1qnd h ASP 66 Ca -0.50 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.31 1qnd h ASP 66 Cb 1.27 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.35 1qnd h ASP 66 CO 0.57 0.02 0.84 0.29 -2.88 0.00 0.00 179.24 178.08 1qnd n LYS 67 N -2.85 1.75 -0.32 0.28 5.02 -1.26 -4.95 118.16 115.83 1qnd n LYS 67 Ca 0.01 0.64 -0.23 0.00 -2.02 0.00 0.00 58.31 56.71 1qnd n LYS 67 Cb 0.55 -2.38 0.22 0.00 -0.02 0.00 0.00 35.03 33.39 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 4.59 -3.82 -3.83 1.97 2.85 -1.26 -4.98 118.16 113.67 1qnd n LYS 68 Ca 0.21 -1.16 -0.12 0.00 -1.05 0.00 0.00 58.31 56.19 1qnd n LYS 68 Cb 0.24 -1.39 -0.10 0.00 -0.65 0.00 0.00 35.03 33.13 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 -2.31 -0.49 0.02 0.58 0.00 -1.26 -4.90 121.76 113.40 1qnd s ALA 69 Ca 0.51 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1qnd s ALA 69 Cb -0.08 0.06 -0.22 0.00 0.00 0.00 0.00 23.12 22.88 1qnd s ALA 69 CO 0.42 -0.22 1.15 0.22 0.00 0.00 0.00 175.76 177.33 1qnd h ASP 70 N 4.28 0.61 -2.72 0.00 1.82 -1.47 -3.47 116.42 115.47 1qnd h ASP 70 Ca -0.30 -0.73 -0.54 0.00 -0.39 0.00 0.00 57.03 55.07 1qnd h ASP 70 Cb 1.19 -0.18 -0.13 0.00 0.68 0.00 0.00 39.33 40.88 1qnd h ASP 70 CO 0.40 1.25 -0.56 0.00 -1.61 0.00 0.00 179.24 178.72 1qnd n THR 72 N -0.87 0.00 -3.60 0.00 -1.04 -1.26 -2.06 114.28 105.44 1qnd n THR 72 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 1qnd n THR 72 Cb 0.66 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.11 1qnd n THR 72 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1qnd s ILE 73 N -1.65 0.04 -0.11 12.58 -1.16 -1.06 -3.28 121.20 126.56 1qnd s ILE 73 Ca 0.00 -0.31 0.03 0.00 -0.51 0.00 0.00 60.65 59.86 1qnd s ILE 73 Cb 0.00 -0.96 0.01 0.00 0.61 0.00 0.00 42.46 42.11 1qnd s ILE 73 CO 0.00 -0.17 -0.21 -0.89 -2.81 0.00 0.00 174.94 170.86 1qnd s THR 74 N -2.44 1.89 0.00 4.00 2.01 -1.26 -1.06 115.64 118.78 1qnd s THR 74 Ca -0.05 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1qnd s THR 74 Cb -0.01 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1qnd s THR 74 CO -0.02 0.52 0.00 0.23 -0.69 0.00 0.00 174.62 174.66 1qnd n MET 75 N 3.75 1.10 -0.64 4.92 2.81 -1.13 -4.59 117.12 123.33 1qnd n MET 75 Ca -0.20 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.72 1qnd n MET 75 Cb 0.52 -0.59 -0.01 0.00 -0.71 0.00 0.00 33.22 32.43 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 -0.74 -1.29 -0.24 3.04 0.00 -1.21 -4.00 120.51 116.07 1qnd n ALA 76 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.73 1qnd n ALA 76 Cb 0.09 -0.82 0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.17 0.45 -0.96 0.00 1.82 -1.20 0.55 116.42 116.90 1qnd h ASP 77 Ca -0.03 0.06 0.08 0.00 -0.39 0.00 0.00 57.03 56.75 1qnd h ASP 77 Cb 0.47 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.41 1qnd h ASP 77 CO 0.01 0.25 0.62 -1.28 -1.61 0.00 0.00 179.24 177.23 1qnd h SER 78 N 0.59 0.95 0.09 2.28 0.87 -1.79 0.27 113.55 116.81 1qnd h SER 78 Ca 0.35 0.02 -0.34 0.00 -1.23 0.00 0.00 61.79 60.58 1qnd h SER 78 Cb 0.38 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1qnd h SER 78 CO -0.28 0.59 -1.90 -0.67 -0.53 0.00 0.00 176.83 174.05 1qnd n ASP 79 N -4.52 2.06 0.01 6.23 -0.08 -0.62 -3.25 116.55 116.38 1qnd n ASP 79 Ca 0.15 0.23 -0.10 0.00 -1.51 0.00 0.00 54.79 53.57 1qnd n ASP 79 Cb 0.23 -0.85 -0.03 0.00 2.34 0.00 0.00 41.12 42.80 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 -0.19 -0.45 0.33 -0.67 0.04 -0.77 0.90 116.94 116.13 1qnd h PHE 80 Ca -0.43 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.35 1qnd h PHE 80 Cb 1.86 0.22 0.00 0.00 2.20 0.00 0.00 35.95 40.23 1qnd h PHE 80 CO 0.07 -0.25 -0.16 1.25 -0.60 0.00 0.00 178.31 178.63 1qnd h LEU 81 N -0.23 -0.37 -2.32 1.54 5.85 -1.13 -2.40 115.31 116.26 1qnd h LEU 81 Ca 0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1qnd h LEU 81 Cb 0.36 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1qnd h LEU 81 CO -0.24 -0.21 0.16 0.00 -0.34 0.00 0.00 178.44 177.81 1qnd h ALA 82 N 0.15 1.15 -2.94 1.25 0.00 -1.47 0.82 119.26 118.22 1qnd h ALA 82 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qnd h ALA 82 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qnd h ALA 82 CO 0.07 -0.15 0.00 -0.11 0.00 0.00 0.00 179.25 179.06 1qnd n LEU 83 N -2.87 1.39 0.10 0.00 -0.00 0.29 -0.51 117.00 115.40 1qnd n LEU 83 Ca -0.02 0.27 -0.04 0.00 -0.00 0.00 0.00 56.01 56.22 1qnd n LEU 83 Cb 0.21 -0.01 0.05 0.00 -0.00 0.00 0.00 43.42 43.67 1qnd n LEU 83 CO 0.15 -0.01 0.34 0.00 -0.00 0.00 0.00 177.39 177.88 1qnd h MET 84 N 0.00 0.02 0.00 1.96 -0.00 -1.31 -2.05 114.93 113.56 1qnd h MET 84 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1qnd h MET 84 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1qnd h MET 84 CO 0.00 0.79 0.00 2.41 -0.00 0.00 0.00 176.91 180.11 1qnd n THR 85 N -3.63 0.63 -1.42 -0.10 -1.04 0.26 -4.20 114.28 104.78 1qnd n THR 85 Ca -0.01 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1qnd n THR 85 Cb 0.75 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.66 -0.37 0.00 3.41 0.00 -0.77 -4.62 105.19 103.49 1qnd n GLY 86 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.78 2.66 -4.31 1.61 4.81 0.34 -4.83 118.16 117.66 1qnd n LYS 87 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1qnd n LYS 87 Cb 0.31 -0.59 -0.10 0.00 0.02 0.00 0.00 35.03 34.66 1qnd n LYS 87 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1qnd s MET 88 N -0.80 1.25 0.12 1.64 -1.94 -0.62 -5.04 119.30 113.90 1qnd s MET 88 Ca 0.00 -1.56 -0.34 0.00 -1.71 0.00 0.00 55.69 52.07 1qnd s MET 88 Cb 0.00 -0.88 -0.14 0.00 2.01 0.00 0.00 34.83 35.82 1qnd s MET 88 CO 0.00 0.10 1.57 0.09 -0.01 0.00 0.00 175.02 176.77 1qnd n ASN 89 N -0.33 2.90 -1.74 3.03 4.13 -1.26 -4.67 115.26 117.32 1qnd n ASN 89 Ca -0.08 1.08 -0.05 0.00 1.68 0.00 0.00 54.58 57.20 1qnd n ASN 89 Cb 0.61 -1.38 -0.08 0.00 -1.54 0.00 0.00 39.78 37.39 1qnd n ASN 89 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1qnd n PRO 90 N 3.62 1.42 -2.75 3.52 -0.04 -1.26 -4.07 135.00 135.44 1qnd n PRO 90 Ca 0.18 -0.44 -0.02 0.00 -0.04 0.00 0.00 63.50 63.18 1qnd n PRO 90 Cb 0.27 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1qnd n PRO 90 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1qnd n GLN 91 N 1.97 1.52 -0.03 0.54 -0.06 -1.26 -4.84 117.38 115.21 1qnd n GLN 91 Ca 0.19 -2.43 -0.09 0.00 -2.00 0.00 0.00 57.00 52.67 1qnd n GLN 91 Cb 0.67 -0.64 -0.02 0.00 -4.06 0.00 0.00 30.24 26.19 1qnd n GLN 91 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1qnd h SER 92 N 1.92 -0.84 0.00 1.69 4.64 -1.98 0.21 113.55 119.19 1qnd h SER 92 Ca -0.28 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1qnd h SER 92 Cb 1.28 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1qnd h SER 92 CO 0.03 -0.30 0.26 0.00 -0.87 0.00 0.00 176.83 175.95 1qnd n ALA 93 N -2.81 0.60 -0.10 5.18 0.00 -1.26 -0.68 120.51 121.44 1qnd n ALA 93 Ca -0.02 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1qnd n ALA 93 Cb 0.30 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.70 0.00 0.22 0.00 -0.00 -0.10 -4.04 117.46 111.84 1qnd n PHE 94 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.35 1qnd n PHE 94 Cb 0.27 -0.60 -0.05 0.00 -0.00 0.00 0.00 39.48 39.10 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 -0.94 -0.57 -0.71 -5.13 3.57 -0.35 -3.21 116.94 109.60 1qnd h PHE 95 Ca -0.19 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 1qnd h PHE 95 Cb 1.12 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1qnd h PHE 95 CO -0.31 -0.36 0.16 1.96 -2.23 0.00 0.00 178.31 177.53 1qnd h GLN 96 N -1.12 1.14 -0.16 1.11 1.08 -1.11 -3.48 115.11 112.57 1qnd h GLN 96 Ca -0.06 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 56.79 1qnd h GLN 96 Cb 0.47 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1qnd h GLN 96 CO 0.10 1.01 -0.06 0.41 -0.95 0.00 0.00 178.83 179.35 1qnd n GLY 97 N -0.64 0.64 0.00 3.46 0.00 -0.23 -4.91 105.19 103.50 1qnd n GLY 97 Ca 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.70 0.07 -3.84 1.61 4.76 -1.26 -4.87 118.16 111.92 1qnd n LYS 98 Ca -0.03 0.27 -0.36 0.00 -2.87 0.00 0.00 58.31 55.32 1qnd n LYS 98 Cb 0.13 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.33 -1.73 -4.77 -0.35 7.94 -1.26 -4.93 117.00 110.56 1qnd n LEU 99 Ca 0.03 -1.09 -0.41 0.00 -1.11 0.00 0.00 56.01 53.43 1qnd n LEU 99 Cb 0.05 -1.96 -0.01 0.00 0.53 0.00 0.00 43.42 42.03 1qnd n LEU 99 CO 0.05 0.53 1.04 -1.59 -1.11 0.00 0.00 177.39 176.31 1qnd s LYS 100 N -6.28 4.26 0.22 1.96 -2.85 -1.26 -4.89 119.74 110.90 1qnd s LYS 100 Ca 0.38 2.36 -0.04 0.00 -1.00 0.00 0.00 55.97 57.66 1qnd s LYS 100 Cb -0.18 -3.03 0.05 0.00 -2.06 0.00 0.00 37.83 32.61 1qnd s LYS 100 CO 0.91 -0.32 0.27 -0.89 0.10 0.00 0.00 175.35 175.41 1qnd n ILE 101 N 0.70 0.00 -3.67 3.79 2.08 -1.26 -4.87 119.36 116.13 1qnd n ILE 101 Ca 0.00 -0.18 -0.13 0.00 0.56 0.00 0.00 62.75 63.00 1qnd n ILE 101 Cb 0.41 -1.68 -0.07 0.00 -0.75 0.00 0.00 39.64 37.55 1qnd n ILE 101 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1qnd s THR 102 N -1.56 0.05 0.00 1.39 -4.23 -1.20 -4.67 115.64 105.42 1qnd s THR 102 Ca 0.16 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1qnd s THR 102 Cb -0.01 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.95 1qnd s THR 102 CO 0.11 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1qnd n GLY 103 N 0.73 0.88 3.83 3.99 0.00 -1.26 -4.67 105.19 108.69 1qnd n GLY 103 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1qnd n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnd s ASN 104 N -1.00 -0.16 -0.13 1.61 3.84 -1.26 -5.04 114.94 112.80 1qnd s ASN 104 Ca 0.00 -0.80 -0.01 0.00 0.21 0.00 0.00 52.86 52.26 1qnd s ASN 104 Cb 0.00 0.76 0.00 0.00 -0.55 0.00 0.00 41.25 41.47 1qnd s ASN 104 CO 0.00 -1.45 0.02 0.80 -2.79 0.00 0.00 177.10 173.68 1qnd n MET 105 N -0.48 -1.56 0.00 0.43 1.56 -1.26 -4.34 117.12 111.47 1qnd n MET 105 Ca -0.05 1.57 0.00 0.00 -0.27 0.00 0.00 57.70 58.95 1qnd n MET 105 Cb 0.59 -2.74 0.00 0.00 2.15 0.00 0.00 33.22 33.23 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 1.02 1.40 4.09 -5.12 0.00 -1.26 -4.75 105.19 100.56 1qnd n GLY 106 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -0.14 0.99 -0.00 -1.26 -1.14 117.00 115.45 1qnd n LEU 107 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 1qnd n LEU 107 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 1qnd n LEU 107 CO 0.00 0.00 1.01 0.00 -0.00 0.00 0.00 177.39 178.40 1qnd h ALA 108 N 0.00 0.56 0.10 1.47 0.00 -1.93 -2.34 119.26 117.12 1qnd h ALA 108 Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1qnd h ALA 108 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qnd h ALA 108 CO 0.00 -0.10 -1.34 1.98 0.00 0.00 0.00 179.25 179.79 1qnd h MET 109 N 0.47 0.21 -2.13 0.00 4.05 -1.46 -3.39 114.93 112.69 1qnd h MET 109 Ca 0.19 -0.36 -0.09 0.00 -0.28 0.00 0.00 59.70 59.15 1qnd h MET 109 Cb 0.07 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1qnd h MET 109 CO -0.12 1.11 -0.12 1.17 0.23 0.00 0.00 176.91 179.19 1qnd n LYS 110 N -3.45 1.26 -3.00 0.39 0.00 -0.88 -4.79 118.16 107.70 1qnd n LYS 110 Ca -0.11 -0.48 -0.44 0.00 0.00 0.00 0.00 58.31 57.29 1qnd n LYS 110 Cb 1.02 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.47 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 2.21 5.29 0.00 3.14 -0.00 -1.24 -4.70 117.00 121.70 1qnd n LEU 111 Ca 0.20 -4.55 -0.00 0.00 -0.00 0.00 0.00 56.01 51.66 1qnd n LEU 111 Cb 0.59 -1.60 -0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1qnd n LEU 111 CO 0.09 0.83 -0.02 0.00 -0.00 0.00 0.00 177.39 178.28 1qnd n GLN 112 N 5.18 0.02 -0.13 1.47 6.02 -1.25 -4.53 117.38 124.17 1qnd n GLN 112 Ca 0.35 0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 57.09 1qnd n GLN 112 Cb 0.42 -0.21 -0.09 0.00 1.02 0.00 0.00 30.24 31.38 1qnd n GLN 112 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1qnd n ASN 113 N -2.73 1.94 0.11 1.08 0.23 -1.25 -3.30 115.26 111.34 1qnd n ASN 113 Ca -0.01 0.36 -0.13 0.00 -0.53 0.00 0.00 54.58 54.27 1qnd n ASN 113 Cb 0.02 -0.83 -0.06 0.00 -2.08 0.00 0.00 39.78 36.83 1qnd n ASN 113 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1qnd h LEU 114 N -1.00 -1.04 -4.04 -4.53 5.85 -1.92 -0.25 115.31 108.38 1qnd h LEU 114 Ca -0.57 0.12 -0.44 0.00 0.84 0.00 0.00 57.88 57.83 1qnd h LEU 114 Cb 1.48 0.40 -0.17 0.00 0.37 0.00 0.00 40.66 42.74 1qnd h LEU 114 CO -0.34 -0.43 0.46 0.00 -0.34 0.00 0.00 178.44 177.78 1qnd n GLN 115 N -5.44 2.17 -0.53 1.25 6.02 -1.26 -3.18 117.38 116.42 1qnd n GLN 115 Ca -0.06 -2.11 0.07 0.00 -0.01 0.00 0.00 57.00 54.89 1qnd n GLN 115 Cb 0.35 -1.93 -0.02 0.00 1.02 0.00 0.00 30.24 29.66 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 0.47 0.00 -4.46 1.08 4.77 -0.11 -4.70 117.00 114.06 1qnd n LEU 116 Ca 0.42 0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 56.58 1qnd n LEU 116 Cb 0.56 -1.79 -0.11 0.00 -2.33 0.00 0.00 43.42 39.75 1qnd n LEU 116 CO 0.39 -1.25 -0.19 -1.10 -1.33 0.00 0.00 177.39 173.92 1qnd s GLN 117 N -1.18 3.37 1.01 3.23 -0.21 -1.21 -3.84 119.66 120.82 1qnd s GLN 117 Ca 0.00 -0.71 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 1qnd s GLN 117 Cb 0.00 -3.62 0.20 0.00 1.00 0.00 0.00 33.01 30.58 1qnd s GLN 117 CO 0.00 -0.43 1.19 -1.25 -2.12 0.00 0.00 175.29 172.68 1qnd s PRO 118 N 1.64 0.34 -0.70 2.91 0.04 -1.26 -4.85 135.00 133.12 1qnd s PRO 118 Ca 0.05 -0.03 -0.04 0.00 0.04 0.00 0.00 61.00 61.02 1qnd s PRO 118 Cb -0.17 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 32.77 1qnd s PRO 118 CO 0.07 -2.68 0.54 0.20 0.04 0.00 0.00 177.00 175.18 1qnd s GLY 119 N -4.27 2.63 0.65 0.56 0.00 -1.26 -5.00 107.32 100.63 1qnd s GLY 119 Ca 0.69 -3.38 -0.17 0.00 0.00 0.00 0.00 44.72 41.86 1qnd s GLY 119 CO 0.54 1.14 1.21 -1.31 0.00 0.00 0.00 173.10 174.67 1qnd s ASN 120 N 0.74 4.82 -0.28 1.64 0.01 -1.26 -4.53 114.94 116.09 1qnd s ASN 120 Ca 0.19 2.36 -0.25 0.00 -0.71 0.00 0.00 52.86 54.45 1qnd s ASN 120 Cb -0.17 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 38.94 1qnd s ASN 120 CO -0.05 -1.84 0.42 0.00 -1.51 0.00 0.00 177.10 174.11 1qnd n ALA 121 N -2.04 -1.96 -2.51 0.60 0.00 -1.26 -5.03 120.51 108.32 1qnd n ALA 121 Ca 0.13 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1qnd n ALA 121 Cb 0.50 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1qnd n ALA 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qnd s LYS 122 N -1.68 1.65 0.00 0.00 2.20 -1.26 -5.27 119.74 115.37 1qnd s LYS 122 Ca 0.24 -1.79 0.30 0.00 -0.36 0.00 0.00 55.97 54.37 1qnd s LYS 122 Cb -0.02 0.36 1.50 0.00 -1.51 0.00 0.00 37.83 38.15 1qnd s LYS 122 CO 0.55 -0.63 2.00 -0.11 -0.36 0.00 0.00 175.35 176.80