#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd n SER 2 N 0.00 -1.67 -3.69 -3.46 7.64 -1.26 -5.13 113.62 106.05 1qnd n SER 2 Ca 0.00 -2.81 -0.15 0.00 1.01 0.00 0.00 58.87 56.92 1qnd n SER 2 Cb 0.00 2.97 -0.08 0.00 -1.01 0.00 0.00 64.21 66.09 1qnd n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qnd s ALA 3 N -2.57 -1.12 0.00 -0.43 0.00 -1.21 -3.98 121.76 112.45 1qnd s ALA 3 Ca 0.25 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1qnd s ALA 3 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1qnd s ALA 3 CO 0.18 -0.28 0.00 0.43 0.00 0.00 0.00 175.76 176.09 1qnd n SER 4 N 1.47 0.00 -1.88 0.00 7.64 -0.50 -4.88 113.62 115.47 1qnd n SER 4 Ca -0.19 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.50 1qnd n SER 4 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 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 -5.04 -3.70 6.43 5.68 -1.26 -4.94 116.55 113.72 1qnd n ASP 5 Ca 0.00 0.29 -0.29 0.00 -0.50 0.00 0.00 54.79 54.29 1qnd n ASP 5 Cb 0.00 -4.39 -0.09 0.00 -1.14 0.00 0.00 41.12 35.50 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 -0.59 4.47 3.32 6.12 0.00 -1.26 -4.98 105.19 112.27 1qnd n GLY 6 Ca -0.20 -2.69 -0.11 0.00 0.00 0.00 0.00 46.02 43.02 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 -2.01 -0.24 -0.72 1.61 0.40 -1.26 -4.71 117.98 111.05 1qnd s PHE 7 Ca 0.33 -0.01 0.24 0.00 -0.60 0.00 0.00 56.93 56.89 1qnd s PHE 7 Cb 0.05 0.26 0.91 0.00 0.51 0.00 0.00 43.02 44.75 1qnd s PHE 7 CO -0.08 -0.68 1.73 1.63 0.70 0.00 0.00 175.22 178.53 1qnd n LYS 8 N -0.06 0.16 -0.29 0.44 5.02 -1.26 -3.17 118.16 119.01 1qnd n LYS 8 Ca -0.17 0.26 0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1qnd n LYS 8 Cb 0.63 -1.74 0.74 0.00 -0.02 0.00 0.00 35.03 34.63 1qnd n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qnd h ALA 9 N 2.50 3.03 -0.52 7.82 0.00 -1.95 -1.51 119.26 128.62 1qnd h ALA 9 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1qnd h ALA 9 Cb 0.50 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1qnd h ALA 9 CO 0.00 -1.35 0.00 -0.97 0.00 0.00 0.00 179.25 176.93 1qnd h ASN 10 N 0.02 -0.22 -0.05 0.00 -0.73 -1.93 0.94 115.58 113.61 1qnd h ASN 10 Ca 0.53 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.81 1qnd h ASN 10 Cb 2.10 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 40.91 1qnd h ASN 10 CO -0.02 -0.08 -0.01 -0.07 -0.37 0.00 0.00 177.43 176.88 1qnd h LEU 11 N 0.12 0.16 0.05 0.34 -0.00 -1.53 -2.40 115.31 112.05 1qnd h LEU 11 Ca 0.27 -0.02 -0.30 0.00 -0.00 0.00 0.00 57.88 57.83 1qnd h LEU 11 Cb 0.41 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 1qnd h LEU 11 CO -0.44 0.21 -1.63 0.52 -0.00 0.00 0.00 178.44 177.10 1qnd n VAL 12 N -4.41 1.63 -0.12 1.22 0.31 -0.80 -4.12 118.33 112.03 1qnd n VAL 12 Ca -0.01 -0.30 -0.05 0.00 -0.01 0.00 0.00 64.34 63.97 1qnd n VAL 12 Cb 0.16 -1.91 0.15 0.00 -0.91 0.00 0.00 33.84 31.33 1qnd n VAL 12 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1qnd h PHE 13 N -0.56 0.88 -0.94 3.52 0.04 -0.72 -1.85 116.94 117.30 1qnd h PHE 13 Ca -0.40 -0.12 0.18 0.00 2.80 0.00 0.00 57.97 60.43 1qnd h PHE 13 Cb 1.62 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 39.44 1qnd h PHE 13 CO 0.08 0.80 0.60 -0.22 -0.60 0.00 0.00 178.31 178.97 1qnd h LYS 14 N 0.78 0.58 -0.62 1.51 3.64 -1.63 -1.79 116.57 119.03 1qnd h LYS 14 Ca 0.15 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1qnd h LYS 14 Cb 0.44 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1qnd h LYS 14 CO 0.02 0.38 0.14 0.93 -2.27 0.00 0.00 179.45 178.65 1qnd h GLU 15 N 0.60 1.00 0.15 1.90 4.39 -1.49 0.53 114.58 121.67 1qnd h GLU 15 Ca 0.50 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1qnd h GLU 15 Cb 0.98 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1qnd h GLU 15 CO -0.25 0.91 -0.07 0.82 -1.16 0.00 0.00 179.01 179.26 1qnd h ILE 16 N 0.92 0.90 -0.69 3.13 2.04 -1.48 -1.43 117.51 120.91 1qnd h ILE 16 Ca 0.19 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1qnd h ILE 16 Cb 0.37 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1qnd h ILE 16 CO 0.00 0.06 0.40 -0.08 0.00 0.00 0.00 178.15 178.53 1qnd h GLU 17 N -0.31 0.72 0.11 2.37 4.22 -0.99 0.27 114.58 120.97 1qnd h GLU 17 Ca -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1qnd h GLU 17 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1qnd h GLU 17 CO 0.03 0.48 -0.05 -0.22 -2.18 0.00 0.00 179.01 177.07 1qnd h LYS 18 N 0.75 -0.14 -0.91 1.92 3.64 0.14 -1.13 116.57 120.83 1qnd h LYS 18 Ca 0.30 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1qnd h LYS 18 Cb 0.14 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1qnd h LYS 18 CO -0.16 0.13 0.60 -0.22 -2.27 0.00 0.00 179.45 177.53 1qnd h LYS 19 N -0.41 1.17 -0.87 1.90 1.63 -1.12 -0.70 116.57 118.16 1qnd h LYS 19 Ca -0.02 -0.07 0.09 0.00 -0.85 0.00 0.00 60.65 59.80 1qnd h LYS 19 Cb 0.34 -0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 1qnd h LYS 19 CO 0.02 0.77 0.57 -0.07 -3.45 0.00 0.00 179.45 177.29 1qnd h LEU 20 N 1.20 0.80 0.25 5.20 3.38 -0.36 0.18 115.31 125.97 1qnd h LEU 20 Ca 0.34 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1qnd h LEU 20 Cb -0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1qnd h LEU 20 CO -0.08 0.49 -0.12 -0.33 0.09 0.00 0.00 178.44 178.48 1qnd h GLU 21 N 0.90 -0.32 -0.71 1.13 4.39 -0.48 -0.17 114.58 119.32 1qnd h GLU 21 Ca 0.40 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.20 1qnd h GLU 21 Cb 0.35 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.00 1qnd h GLU 21 CO -0.16 -0.03 0.36 0.93 -1.16 0.00 0.00 179.01 178.95 1qnd h GLU 22 N -0.61 0.61 0.00 2.33 4.39 -0.17 -3.38 114.58 117.75 1qnd h GLU 22 Ca -0.03 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 1qnd h GLU 22 Cb 0.44 -0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 28.81 1qnd h GLU 22 CO 0.06 0.41 -0.32 -1.91 -1.16 0.00 0.00 179.01 176.09 1qnd n GLU 23 N -4.84 0.64 0.20 2.33 2.13 0.55 -5.02 120.64 116.64 1qnd n GLU 23 Ca 0.10 -1.46 0.07 0.00 0.66 0.00 0.00 57.16 56.54 1qnd n GLU 23 Cb 0.25 -0.93 0.41 0.00 0.27 0.00 0.00 31.44 31.44 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 3.29 0.00 0.15 8.31 0.00 -0.97 -3.32 103.07 110.54 1qnd h GLY 24 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.30 1qnd h GLY 24 CO 0.13 0.00 0.31 1.05 0.00 0.00 0.00 176.54 178.03 1qnd h GLU 25 N 0.00 0.44 0.00 4.80 4.11 -1.76 0.15 114.58 122.33 1qnd h GLU 25 Ca -0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1qnd h GLU 25 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1qnd h GLU 25 CO 0.04 0.29 -0.23 0.37 0.07 0.00 0.00 179.01 179.55 1qnd h GLN 26 N 0.46 0.00 0.00 1.06 4.15 -1.88 -3.08 115.11 115.82 1qnd h GLN 26 Ca 0.42 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.68 1qnd h GLN 26 Cb 0.63 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1qnd h GLN 26 CO -0.40 0.23 -0.78 0.74 -1.93 0.00 0.00 178.83 176.69 1qnd h PHE 27 N 0.00 0.00 -0.94 3.99 -1.00 -0.91 -2.96 116.94 115.12 1qnd h PHE 27 Ca -0.00 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.88 1qnd h PHE 27 Cb 1.05 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.54 1qnd h PHE 27 CO 0.00 0.78 0.60 0.28 -1.61 0.00 0.00 178.31 178.36 1qnd h VAL 28 N 0.00 0.95 0.00 -0.55 2.07 -1.09 -0.16 116.25 117.47 1qnd h VAL 28 Ca -0.01 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1qnd h VAL 28 Cb 1.46 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1qnd h VAL 28 CO 0.10 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.15 1qnd n LYS 29 N -4.56 0.05 0.01 1.57 4.76 -1.12 -0.96 118.16 117.91 1qnd n LYS 29 Ca 0.17 0.31 -0.02 0.00 -2.87 0.00 0.00 58.31 55.90 1qnd n LYS 29 Cb 0.33 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1qnd n LYS 29 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1qnd h LYS 30 N 0.00 -0.11 0.00 1.97 1.79 -1.10 -3.43 116.57 115.70 1qnd h LYS 30 Ca 0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1qnd h LYS 30 Cb 0.26 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1qnd h LYS 30 CO 0.00 -0.07 -0.63 -0.89 -1.08 0.00 0.00 179.45 176.78 1qnd n ILE 31 N -4.38 1.43 -2.69 1.86 -0.00 -1.23 -4.97 119.36 109.38 1qnd n ILE 31 Ca -0.01 0.19 -0.08 0.00 -0.00 0.00 0.00 62.75 62.84 1qnd n ILE 31 Cb 0.04 -2.35 0.04 0.00 -0.00 0.00 0.00 39.64 37.37 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 1.59 -0.65 3.61 7.39 0.00 -0.14 -4.77 105.19 112.22 1qnd n GLY 32 Ca -0.10 0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.12 -0.34 -0.13 -0.02 0.00 0.27 -4.87 107.32 99.10 1qnd s GLY 33 Ca 0.24 1.29 -0.19 0.00 0.00 0.00 0.00 44.72 46.05 1qnd s GLY 33 CO 0.52 0.38 0.52 -0.42 0.00 0.00 0.00 173.10 174.10 1qnd s ILE 34 N -2.32 5.14 0.16 0.90 1.09 -1.26 -2.07 121.20 122.85 1qnd s ILE 34 Ca 0.12 1.02 0.06 0.00 -1.10 0.00 0.00 60.65 60.75 1qnd s ILE 34 Cb 0.02 -3.86 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 1qnd s ILE 34 CO -0.04 0.27 -0.12 0.72 -0.10 0.00 0.00 174.94 175.67 1qnd s PHE 35 N 0.94 1.41 0.36 3.97 -0.12 -0.76 -1.29 117.98 122.50 1qnd s PHE 35 Ca 0.27 -0.68 0.07 0.00 -0.05 0.00 0.00 56.93 56.55 1qnd s PHE 35 Cb -0.15 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.51 1qnd s PHE 35 CO 0.11 0.17 0.34 0.00 -0.05 0.00 0.00 175.22 175.79 1qnd s ALA 36 N -3.08 3.96 -0.41 1.99 0.00 -0.78 -0.93 121.76 122.51 1qnd s ALA 36 Ca 0.17 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1qnd s ALA 36 Cb 0.01 -1.18 0.13 0.00 0.00 0.00 0.00 23.12 22.08 1qnd s ALA 36 CO 0.03 -0.07 0.21 -0.06 0.00 0.00 0.00 175.76 175.86 1qnd s PHE 37 N -2.35 1.95 -0.61 0.00 0.08 -0.82 -3.48 117.98 112.75 1qnd s PHE 37 Ca 0.44 -2.30 -0.28 0.00 0.12 0.00 0.00 56.93 54.91 1qnd s PHE 37 Cb -0.05 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1qnd s PHE 37 CO 0.27 -0.81 1.28 0.15 -0.10 0.00 0.00 175.22 176.02 1qnd s LYS 38 N 0.61 3.37 -0.31 0.44 3.01 -1.04 -3.88 119.74 121.94 1qnd s LYS 38 Ca 0.16 0.20 0.03 0.00 -1.01 0.00 0.00 55.97 55.36 1qnd s LYS 38 Cb -0.23 -4.09 0.09 0.00 -1.01 0.00 0.00 37.83 32.59 1qnd s LYS 38 CO -0.04 -1.87 -0.00 0.08 0.51 0.00 0.00 175.35 174.03 1qnd s VAL 39 N 5.49 2.17 0.08 3.17 1.01 -1.09 -3.49 120.40 127.74 1qnd s VAL 39 Ca 0.44 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1qnd s VAL 39 Cb -0.09 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1qnd s VAL 39 CO 0.23 -0.41 0.10 2.29 0.00 0.00 0.00 175.10 177.32 1qnd n LYS 40 N 4.34 0.57 -3.24 2.72 2.85 -1.26 -0.10 118.16 124.04 1qnd n LYS 40 Ca -0.02 -0.29 -0.15 0.00 -1.05 0.00 0.00 58.31 56.80 1qnd n LYS 40 Cb 0.42 -0.07 0.08 0.00 -0.65 0.00 0.00 35.03 34.81 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 -2.99 -2.70 -0.52 -5.58 -0.08 -0.96 -0.45 116.55 103.28 1qnd n ASP 41 Ca 0.02 -0.56 0.00 0.00 -1.51 0.00 0.00 54.79 52.73 1qnd n ASP 41 Cb 0.06 -4.63 0.00 0.00 2.34 0.00 0.00 41.12 38.89 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 -1.14 6.81 3.57 0.27 0.00 -1.26 -2.17 105.19 111.27 1qnd n GLY 42 Ca -0.23 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.47 1qnd n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qnd s PRO 43 N 0.21 2.54 0.00 1.61 0.04 -1.26 -1.28 135.00 136.86 1qnd s PRO 43 Ca 0.00 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1qnd s PRO 43 Cb 0.00 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1qnd s PRO 43 CO 0.00 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 173.83 1qnd n GLY 44 N 6.40 1.50 2.03 0.56 0.00 -1.26 -4.85 105.19 109.57 1qnd n GLY 44 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 0.42 0.00 -0.02 0.00 -0.41 -5.04 105.19 100.14 1qnd n GLY 45 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.47 -0.05 -4.52 1.61 5.02 -1.26 -4.59 118.16 111.90 1qnd n LYS 46 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1qnd n LYS 46 Cb 0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.02 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 -2.87 1.02 0.26 1.97 2.12 -1.26 -2.25 118.70 117.68 1qnd s GLU 47 Ca 0.00 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 54.84 1qnd s GLU 47 Cb 0.00 -1.00 -0.03 0.00 0.26 0.00 0.00 34.13 33.36 1qnd s GLU 47 CO 0.00 0.27 0.30 0.00 -0.54 0.00 0.00 175.26 175.28 1qnd s ALA 48 N -0.46 3.81 0.00 6.30 0.00 0.86 -1.40 121.76 130.87 1qnd s ALA 48 Ca 0.04 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1qnd s ALA 48 Cb -0.06 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 1qnd s ALA 48 CO 0.00 0.20 -0.01 0.99 0.00 0.00 0.00 175.76 176.94 1qnd s THR 49 N -2.09 0.03 -0.04 0.00 2.01 -1.26 -2.66 115.64 111.63 1qnd s THR 49 Ca 0.35 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1qnd s THR 49 Cb -0.08 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1qnd s THR 49 CO 0.27 -0.13 -0.12 0.26 -0.69 0.00 0.00 174.62 174.21 1qnd s TRP 50 N -0.37 2.76 -0.06 4.92 0.51 -1.25 -1.82 118.94 123.63 1qnd s TRP 50 Ca -0.04 -0.11 -0.03 0.00 -2.12 0.00 0.00 56.10 53.80 1qnd s TRP 50 Cb -0.03 -1.63 -0.04 0.00 -0.81 0.00 0.00 33.47 30.96 1qnd s TRP 50 CO -0.00 0.25 0.07 0.08 -0.51 0.00 0.00 176.95 176.83 1qnd s VAL 51 N -0.79 4.79 -0.17 4.03 1.01 -0.39 -1.94 120.40 126.93 1qnd s VAL 51 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1qnd s VAL 51 Cb -0.11 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1qnd s VAL 51 CO 0.02 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 174.92 1qnd s VAL 52 N -1.05 0.85 -0.46 2.92 1.01 -0.11 -0.65 120.40 122.92 1qnd s VAL 52 Ca 0.18 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1qnd s VAL 52 Cb -0.12 -1.16 0.25 0.00 0.00 0.00 0.00 36.38 35.35 1qnd s VAL 52 CO 0.07 -0.02 2.17 -0.67 0.00 0.00 0.00 175.10 176.66 1qnd n ASP 53 N 4.95 6.85 -3.24 3.32 -0.08 0.19 -1.82 116.55 126.70 1qnd n ASP 53 Ca -0.10 -3.32 -0.29 0.00 -1.51 0.00 0.00 54.79 49.57 1qnd n ASP 53 Cb 0.47 -1.07 -0.02 0.00 2.34 0.00 0.00 41.12 42.84 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 0.08 3.14 0.00 5.18 0.24 -0.88 -2.96 118.33 123.14 1qnd n VAL 54 Ca 0.43 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 1qnd n VAL 54 Cb 0.57 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.62 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 4.06 0.00 -2.88 7.34 4.81 -1.23 -0.57 118.16 129.69 1qnd n LYS 55 Ca 0.58 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.63 1qnd n LYS 55 Cb 0.18 -0.11 -0.06 0.00 0.02 0.00 0.00 35.03 35.06 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 -3.05 7.37 1.01 3.14 0.01 -1.16 -4.87 114.94 117.40 1qnd s ASN 56 Ca 0.00 1.74 0.00 0.00 -0.71 0.00 0.00 52.86 53.89 1qnd s ASN 56 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1qnd s ASN 56 CO 0.00 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.27 1qnd n GLY 57 N 1.06 3.14 0.64 0.66 0.00 -1.26 -0.01 105.19 109.41 1qnd n GLY 57 Ca -0.02 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.87 0.00 1.61 5.02 -1.26 -4.92 118.16 134.48 1qnd n LYS 58 Ca 0.00 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 1qnd n LYS 58 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.22 -2.63 3.63 0.72 0.00 0.98 -2.63 105.19 106.49 1qnd n GLY 59 Ca 0.17 -1.42 -0.03 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 -3.76 -0.17 0.19 1.61 0.01 -1.26 -4.75 113.70 105.57 1qnd s SER 60 Ca 0.00 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.17 1qnd s SER 60 Cb 0.00 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1qnd s SER 60 CO 0.00 -0.52 0.09 -0.69 0.41 0.00 0.00 173.24 172.53 1qnd s VAL 61 N -2.82 4.15 -0.41 3.43 1.01 -1.26 -0.64 120.40 123.86 1qnd s VAL 61 Ca 0.11 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1qnd s VAL 61 Cb 0.01 -3.14 0.21 0.00 0.00 0.00 0.00 36.38 33.46 1qnd s VAL 61 CO -0.03 -0.17 0.47 0.18 0.00 0.00 0.00 175.10 175.54 1qnd n LEU 62 N -0.46 -0.51 -4.78 3.92 4.77 0.18 -4.96 117.00 115.17 1qnd n LEU 62 Ca -0.08 -4.37 -0.41 0.00 -0.03 0.00 0.00 56.01 51.12 1qnd n LEU 62 Cb 0.56 0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 42.26 1qnd n LEU 62 CO 0.42 1.96 1.07 -2.16 -1.33 0.00 0.00 177.39 177.35 1qnd s PRO 63 N -0.40 4.20 -1.19 3.23 0.04 -1.26 -1.26 135.00 138.37 1qnd s PRO 63 Ca 0.34 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1qnd s PRO 63 Cb 0.10 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1qnd s PRO 63 CO -0.15 -0.40 0.00 0.09 0.04 0.00 0.00 177.00 176.58 1qnd n ASN 64 N 0.58 -3.40 -4.78 6.66 3.02 -0.75 -4.86 115.26 111.72 1qnd n ASN 64 Ca 0.01 0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 54.45 1qnd n ASN 64 Cb 0.40 -3.09 -0.06 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.02 7.26 0.00 6.41 0.15 -1.12 -4.92 113.70 119.46 1qnd s SER 65 Ca 0.00 1.87 0.04 0.00 0.70 0.00 0.00 55.95 58.57 1qnd s SER 65 Cb 0.00 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 61.99 1qnd s SER 65 CO 0.00 -0.13 1.01 0.47 1.20 0.00 0.00 173.24 175.79 1qnd n ASP 66 N 0.49 0.00 -4.75 5.45 8.00 -1.26 -4.81 116.55 119.66 1qnd n ASP 66 Ca 0.02 -1.52 -0.41 0.00 0.71 0.00 0.00 54.79 53.59 1qnd n ASP 66 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1qnd n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qnd s LYS 67 N -2.00 4.13 0.44 -1.24 -0.14 -1.26 -5.03 119.74 114.64 1qnd s LYS 67 Ca 0.06 2.56 -0.07 0.00 -1.36 0.00 0.00 55.97 57.16 1qnd s LYS 67 Cb 0.03 -3.03 0.11 0.00 -1.68 0.00 0.00 37.83 33.26 1qnd s LYS 67 CO 0.05 -0.61 0.35 0.36 -0.76 0.00 0.00 175.35 174.74 1qnd n LYS 68 N 2.15 -2.11 -3.87 1.68 2.85 -1.26 -4.99 118.16 112.62 1qnd n LYS 68 Ca 0.08 -0.57 -0.09 0.00 -1.05 0.00 0.00 58.31 56.68 1qnd n LYS 68 Cb 0.38 -0.58 -0.05 0.00 -0.65 0.00 0.00 35.03 34.12 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 -2.72 -0.48 -0.08 0.58 0.00 -1.26 -4.85 121.76 112.95 1qnd s ALA 69 Ca 0.24 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 1qnd s ALA 69 Cb -0.03 0.89 -0.23 0.00 0.00 0.00 0.00 23.12 23.75 1qnd s ALA 69 CO 0.19 -0.76 0.99 0.38 0.00 0.00 0.00 175.76 176.56 1qnd h ASP 70 N 2.33 -0.01 -4.61 0.00 3.04 -1.58 -3.49 116.42 112.10 1qnd h ASP 70 Ca -0.29 -0.73 -0.47 0.00 -3.24 0.00 0.00 57.03 52.30 1qnd h ASP 70 Cb 1.25 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.43 1qnd h ASP 70 CO 0.41 0.74 -0.42 0.00 -2.04 0.00 0.00 179.24 177.92 1qnd n THR 72 N -0.71 0.00 -3.88 0.00 -1.04 -1.26 -1.86 114.28 105.53 1qnd n THR 72 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1qnd n THR 72 Cb 0.55 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 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 -2.17 0.05 -0.05 12.58 2.07 -1.23 -4.08 121.20 128.37 1qnd s ILE 73 Ca 0.00 -1.15 0.06 0.00 -1.41 0.00 0.00 60.65 58.15 1qnd s ILE 73 Cb 0.00 -1.74 -0.01 0.00 0.13 0.00 0.00 42.46 40.84 1qnd s ILE 73 CO 0.00 -0.23 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.68 1qnd s THR 74 N -3.93 1.90 0.00 4.00 2.01 -1.21 -2.50 115.64 115.91 1qnd s THR 74 Ca 0.14 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1qnd s THR 74 Cb 0.02 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.92 1qnd s THR 74 CO -0.01 0.53 0.00 0.23 -0.69 0.00 0.00 174.62 174.68 1qnd n MET 75 N 2.90 0.00 0.00 4.92 2.81 -1.23 -4.26 117.12 122.26 1qnd n MET 75 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1qnd n MET 75 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 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 -3.00 0.00 -0.35 3.04 0.00 -1.26 -4.67 120.51 114.26 1qnd n ALA 76 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1qnd n ALA 76 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1qnd n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qnd h ASP 77 N 0.00 1.09 -0.04 0.00 3.58 -0.58 0.94 116.42 121.41 1qnd h ASP 77 Ca 0.00 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.42 1qnd h ASP 77 Cb 0.00 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.78 1qnd h ASP 77 CO 0.00 0.80 0.07 0.77 -2.88 0.00 0.00 179.24 178.00 1qnd h SER 78 N 1.28 0.00 0.00 2.28 4.64 -1.68 0.16 113.55 120.23 1qnd h SER 78 Ca 0.34 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.38 1qnd h SER 78 Cb -0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1qnd h SER 78 CO -0.07 0.00 -2.06 -0.67 -0.87 0.00 0.00 176.83 173.16 1qnd n ASP 79 N -3.45 2.47 0.12 4.97 2.03 -0.95 -4.12 116.55 117.63 1qnd n ASP 79 Ca -0.02 -0.07 -0.13 0.00 0.52 0.00 0.00 54.79 55.09 1qnd n ASP 79 Cb 0.16 -0.32 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.06 -0.61 0.47 -0.67 -1.00 -0.23 0.05 116.94 114.89 1qnd h PHE 80 Ca -0.42 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.35 1qnd h PHE 80 Cb 1.63 0.25 0.00 0.00 3.61 0.00 0.00 35.95 41.44 1qnd h PHE 80 CO 0.01 -0.33 -0.23 1.25 -1.61 0.00 0.00 178.31 177.41 1qnd h LEU 81 N -0.45 -0.54 -0.61 1.54 5.85 -0.96 -3.26 115.31 116.90 1qnd h LEU 81 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1qnd h LEU 81 Cb 0.45 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1qnd h LEU 81 CO -0.11 -0.38 0.00 0.00 -0.34 0.00 0.00 178.44 177.62 1qnd n ALA 82 N -2.37 1.41 -0.63 1.25 0.00 -1.03 -1.00 120.51 118.14 1qnd n ALA 82 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1qnd n ALA 82 Cb 0.27 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1qnd n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qnd n LEU 83 N -1.96 0.00 -0.02 0.00 4.77 -0.02 -0.58 117.00 119.18 1qnd n LEU 83 Ca 0.01 0.68 -0.01 0.00 -0.03 0.00 0.00 56.01 56.67 1qnd n LEU 83 Cb 0.13 -0.18 0.27 0.00 -2.33 0.00 0.00 43.42 41.31 1qnd n LEU 83 CO 0.13 -0.18 0.92 0.00 -1.33 0.00 0.00 177.39 176.93 1qnd h MET 84 N 0.00 0.58 0.00 3.23 -0.00 -1.70 -1.56 114.93 115.48 1qnd h MET 84 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 59.70 59.57 1qnd h MET 84 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.52 1qnd h MET 84 CO 0.00 0.60 0.00 2.41 -0.00 0.00 0.00 176.91 179.92 1qnd n THR 85 N -4.26 0.58 -0.90 -0.10 -1.04 -0.17 -4.87 114.28 103.51 1qnd n THR 85 Ca 0.02 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1qnd n THR 85 Cb 0.26 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.47 0.06 3.41 0.00 0.25 -4.89 105.19 105.16 1qnd n GLY 86 Ca 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.77 0.26 -3.23 1.61 4.81 -0.58 -5.00 118.16 113.25 1qnd n LYS 87 Ca 0.00 0.10 -0.03 0.00 -0.87 0.00 0.00 58.31 57.52 1qnd n LYS 87 Cb 0.02 -0.96 -0.03 0.00 0.02 0.00 0.00 35.03 34.08 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 -1.95 0.48 -0.39 1.64 -1.94 -1.24 -5.05 119.30 110.85 1qnd s MET 88 Ca -0.14 0.43 0.12 0.00 -1.71 0.00 0.00 55.69 54.39 1qnd s MET 88 Cb 0.02 -0.02 0.40 0.00 2.01 0.00 0.00 34.83 37.24 1qnd s MET 88 CO 0.21 -0.95 0.90 0.27 -0.01 0.00 0.00 175.02 175.45 1qnd n ASN 89 N 5.39 2.14 -4.75 3.03 6.94 -1.26 -4.61 115.26 122.14 1qnd n ASN 89 Ca 0.02 -3.09 -0.37 0.00 -0.02 0.00 0.00 54.58 51.11 1qnd n ASN 89 Cb 0.51 -0.55 0.05 0.00 -2.36 0.00 0.00 39.78 37.43 1qnd n ASN 89 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1qnd s PRO 90 N -3.00 2.89 -0.74 -0.53 0.04 -1.26 -4.66 135.00 127.73 1qnd s PRO 90 Ca 0.37 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 1qnd s PRO 90 Cb 0.39 -1.99 -0.23 0.00 0.04 0.00 0.00 34.50 32.71 1qnd s PRO 90 CO -0.06 -1.32 1.71 1.04 0.04 0.00 0.00 177.00 178.41 1qnd n GLN 91 N -1.53 0.00 0.00 4.56 3.00 -1.26 -4.85 117.38 117.30 1qnd n GLN 91 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1qnd n GLN 91 Cb 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 30.24 29.88 1qnd n GLN 91 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1qnd n SER 92 N 5.09 0.00 0.31 1.08 3.41 -1.26 -1.60 113.62 120.65 1qnd n SER 92 Ca 0.50 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.30 1qnd n SER 92 Cb 0.08 0.00 0.97 0.00 -0.26 0.00 0.00 64.21 65.00 1qnd n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qnd h ALA 93 N -2.00 1.09 -0.12 7.33 0.00 -1.89 -0.80 119.26 122.87 1qnd h ALA 93 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1qnd h ALA 93 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qnd h ALA 93 CO 0.00 0.03 0.03 0.35 0.00 0.00 0.00 179.25 179.66 1qnd h PHE 94 N 0.00 0.20 0.08 0.00 3.04 -1.95 -0.39 116.94 117.91 1qnd h PHE 94 Ca -0.00 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1qnd h PHE 94 Cb 0.20 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1qnd h PHE 94 CO 0.00 0.35 -0.04 0.35 -2.02 0.00 0.00 178.31 176.95 1qnd h PHE 95 N -0.02 -0.10 0.00 0.41 3.57 -1.13 -3.40 116.94 116.27 1qnd h PHE 95 Ca 0.04 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1qnd h PHE 95 Cb 0.26 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1qnd h PHE 95 CO 0.01 0.43 -0.32 1.96 -2.23 0.00 0.00 178.31 178.16 1qnd h GLN 96 N -0.89 0.00 -2.23 1.11 4.20 -1.13 -3.47 115.11 112.70 1qnd h GLN 96 Ca -0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 1qnd h GLN 96 Cb 0.58 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1qnd h GLN 96 CO 0.02 0.32 -0.44 0.41 -0.67 0.00 0.00 178.83 178.47 1qnd n GLY 97 N 0.13 0.08 0.00 3.46 0.00 -0.16 -4.96 105.19 103.74 1qnd n GLY 97 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.69 0.00 -2.70 1.61 4.76 -1.26 -4.93 118.16 112.95 1qnd n LYS 98 Ca -0.21 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.17 1qnd n LYS 98 Cb 0.65 -0.48 0.09 0.00 -1.84 0.00 0.00 35.03 33.45 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 -0.16 -1.84 -4.90 -0.35 7.94 -1.26 -5.15 117.00 111.29 1qnd n LEU 99 Ca 0.00 -3.03 -0.29 0.00 -1.11 0.00 0.00 56.01 51.58 1qnd n LEU 99 Cb 0.00 0.64 0.08 0.00 0.53 0.00 0.00 43.42 44.67 1qnd n LEU 99 CO 0.00 1.80 0.78 -1.59 -1.11 0.00 0.00 177.39 177.27 1qnd s LYS 100 N 0.17 2.10 0.26 1.96 0.00 -1.26 -3.36 119.74 119.61 1qnd s LYS 100 Ca 0.19 0.15 0.01 0.00 0.00 0.00 0.00 55.97 56.32 1qnd s LYS 100 Cb 0.29 -1.97 -0.05 0.00 0.00 0.00 0.00 37.83 36.11 1qnd s LYS 100 CO -0.08 -1.51 0.12 0.42 0.00 0.00 0.00 175.35 174.30 1qnd s ILE 101 N -3.54 0.39 0.33 3.79 1.09 -1.26 -4.77 121.20 117.24 1qnd s ILE 101 Ca 0.61 -2.00 -0.04 0.00 -1.10 0.00 0.00 60.65 58.13 1qnd s ILE 101 Cb -0.11 -2.58 0.02 0.00 -1.06 0.00 0.00 42.46 38.73 1qnd s ILE 101 CO 0.49 0.00 0.50 0.35 -0.10 0.00 0.00 174.94 176.18 1qnd n THR 102 N -0.46 0.00 0.00 2.92 -2.24 -1.26 -4.69 114.28 108.55 1qnd n THR 102 Ca 0.01 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1qnd n THR 102 Cb 0.66 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 103 N -0.53 -0.05 1.36 3.38 0.00 -1.26 -4.73 105.19 103.35 1qnd n GLY 103 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qnd n GLY 103 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qnd n ASN 104 N 0.00 -0.64 0.00 1.61 6.94 -1.26 -4.93 115.26 116.99 1qnd n ASN 104 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 54.58 54.73 1qnd n ASN 104 Cb 0.00 0.88 0.00 0.00 -2.36 0.00 0.00 39.78 38.30 1qnd n ASN 104 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 1qnd n MET 105 N -2.41 0.00 -3.44 -3.83 0.00 -1.26 -5.09 117.12 101.09 1qnd n MET 105 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 1qnd n MET 105 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 1qnd n MET 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1qnd s GLY 106 N 0.00 1.32 0.00 3.17 0.00 -1.26 -5.01 107.32 105.54 1qnd s GLY 106 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 44.72 42.19 1qnd s GLY 106 CO 0.00 2.03 0.33 1.47 0.00 0.00 0.00 173.10 176.93 1qnd n LEU 107 N 2.86 0.68 0.00 0.66 -0.00 -1.26 -4.48 117.00 115.46 1qnd n LEU 107 Ca 0.28 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1qnd n LEU 107 Cb 0.46 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1qnd n LEU 107 CO 0.10 0.17 0.00 0.00 -0.00 0.00 0.00 177.39 177.66 1qnd n ALA 108 N 0.18 0.00 -0.01 1.47 0.00 -1.26 -4.71 120.51 116.17 1qnd n ALA 108 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1qnd n ALA 108 Cb 0.17 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.81 1qnd n ALA 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qnd n MET 109 N 0.00 2.44 -0.09 0.00 2.81 -1.26 -4.72 117.12 116.29 1qnd n MET 109 Ca 0.00 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.75 1qnd n MET 109 Cb 0.00 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1qnd n MET 109 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1qnd n LYS 110 N 1.05 0.76 -3.74 0.03 0.00 -1.26 -4.78 118.16 110.22 1qnd n LYS 110 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.37 1qnd n LYS 110 Cb 0.50 -1.12 -0.04 0.00 0.00 0.00 0.00 35.03 34.37 1qnd n LYS 110 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1qnd s LEU 111 N 0.00 0.15 0.00 3.14 -0.00 -1.26 -5.04 118.68 115.67 1qnd s LEU 111 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 54.13 53.64 1qnd s LEU 111 Cb 0.00 2.06 0.00 0.00 -0.00 0.00 0.00 46.19 48.25 1qnd s LEU 111 CO 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 176.35 175.32 1qnd n GLN 112 N -0.33 0.00 -0.17 1.48 1.13 -1.26 -4.81 117.38 113.42 1qnd n GLN 112 Ca -0.10 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.13 1qnd n GLN 112 Cb 0.63 0.00 0.52 0.00 0.11 0.00 0.00 30.24 31.50 1qnd n GLN 112 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1qnd h ASN 113 N 0.00 0.36 0.03 1.08 4.21 -2.01 0.35 115.58 119.60 1qnd h ASN 113 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1qnd h ASN 113 Cb 0.00 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1qnd h ASN 113 CO 0.00 0.17 0.00 -0.07 -1.29 0.00 0.00 177.43 176.24 1qnd h LEU 114 N 0.37 0.00 -4.70 1.61 4.07 -1.97 -2.01 115.31 112.69 1qnd h LEU 114 Ca 0.39 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.85 1qnd h LEU 114 Cb 0.96 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.28 1qnd h LEU 114 CO -0.12 0.00 -0.92 0.00 -1.08 0.00 0.00 178.44 176.32 1qnd n GLN 115 N -2.35 2.52 -0.35 1.13 6.02 0.11 -4.85 117.38 119.61 1qnd n GLN 115 Ca -0.01 -3.99 0.05 0.00 -0.01 0.00 0.00 57.00 53.03 1qnd n GLN 115 Cb 0.05 -1.85 -0.01 0.00 1.02 0.00 0.00 30.24 29.45 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 -0.33 0.00 -4.88 1.08 4.77 -0.76 -4.44 117.00 112.45 1qnd n LEU 116 Ca 0.27 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.42 1qnd n LEU 116 Cb 0.74 -1.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1qnd n LEU 116 CO 0.30 -0.92 -0.04 -1.10 -1.33 0.00 0.00 177.39 174.30 1qnd s GLN 117 N -0.90 2.71 1.22 3.23 -0.21 -1.26 -4.05 119.66 120.39 1qnd s GLN 117 Ca 0.00 -1.34 -0.17 0.00 0.02 0.00 0.00 55.36 53.87 1qnd s GLN 117 Cb 0.00 -2.49 0.29 0.00 1.00 0.00 0.00 33.01 31.81 1qnd s GLN 117 CO 0.00 -0.00 1.04 -1.25 -2.12 0.00 0.00 175.29 172.96 1qnd s PRO 118 N -4.06 -1.32 0.00 2.91 0.04 -1.26 -4.80 135.00 126.51 1qnd s PRO 118 Ca 0.44 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1qnd s PRO 118 Cb -0.06 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1qnd s PRO 118 CO 0.28 -3.85 0.00 0.41 0.04 0.00 0.00 177.00 173.87 1qnd n GLY 119 N 0.02 -0.31 1.36 0.56 0.00 -1.26 -5.07 105.19 100.50 1qnd n GLY 119 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1qnd n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qnd n ASN 120 N -0.51 0.00 -4.28 1.61 2.85 -1.26 -5.07 115.26 108.59 1qnd n ASN 120 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 1qnd n ASN 120 Cb 0.12 0.27 -0.06 0.00 1.24 0.00 0.00 39.78 41.35 1qnd n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qnd n ALA 121 N -2.02 -1.61 -2.52 5.20 0.00 -1.26 -4.98 120.51 113.31 1qnd n ALA 121 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1qnd n ALA 121 Cb 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 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 -7.07 0.76 0.00 0.00 2.20 -1.26 -5.25 119.74 109.11 1qnd s LYS 122 Ca 0.41 -1.08 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1qnd s LYS 122 Cb -0.23 -0.40 0.04 0.00 -1.51 0.00 0.00 37.83 35.72 1qnd s LYS 122 CO 0.97 0.05 0.66 1.47 -0.36 0.00 0.00 175.35 178.14