#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnd s SER 2 N 0.00 5.31 1.25 4.04 0.15 -1.26 -4.90 113.70 118.28 1qnd s SER 2 Ca 0.00 -0.58 -0.18 0.00 0.70 0.00 0.00 55.95 55.89 1qnd s SER 2 Cb 0.00 -0.71 0.31 0.00 -1.71 0.00 0.00 66.02 63.90 1qnd s SER 2 CO 0.00 -0.61 1.02 0.00 1.20 0.00 0.00 173.24 174.85 1qnd s ALA 3 N -2.39 -0.13 0.00 5.45 0.00 -1.26 -1.67 121.76 121.76 1qnd s ALA 3 Ca 0.48 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1qnd s ALA 3 Cb -0.06 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1qnd s ALA 3 CO 0.29 -3.94 0.00 0.43 0.00 0.00 0.00 175.76 172.54 1qnd n SER 4 N -5.06 0.00 -1.01 0.00 7.64 -0.08 -4.65 113.62 110.46 1qnd n SER 4 Ca 0.09 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 1qnd n SER 4 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.69 -2.66 -1.85 6.43 8.00 -1.26 -4.97 116.55 119.56 1qnd n ASP 5 Ca 0.00 -0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.38 1qnd n ASP 5 Cb 0.00 -1.22 0.04 0.00 -0.02 0.00 0.00 41.12 39.92 1qnd n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qnd n GLY 6 N -0.75 1.19 2.74 0.44 0.00 -1.26 -4.92 105.19 102.62 1qnd n GLY 6 Ca -0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1qnd n GLY 6 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qnd n PHE 7 N -0.79 -3.72 -0.19 1.61 3.72 -1.26 -4.92 117.46 111.91 1qnd n PHE 7 Ca -0.21 -0.96 0.15 0.00 -0.05 0.00 0.00 57.45 56.39 1qnd n PHE 7 Cb 0.77 -0.67 0.48 0.00 -0.94 0.00 0.00 39.48 39.12 1qnd n PHE 7 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1qnd h LYS 8 N 0.00 0.46 0.00 -1.08 3.64 -2.01 -1.52 116.57 116.06 1qnd h LYS 8 Ca -0.28 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1qnd h LYS 8 Cb 0.85 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1qnd h LYS 8 CO 0.23 0.30 0.08 0.00 -2.27 0.00 0.00 179.45 177.78 1qnd n ALA 9 N -2.50 0.87 0.28 5.00 0.00 -1.26 -2.19 120.51 120.70 1qnd n ALA 9 Ca 0.15 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1qnd n ALA 9 Cb 0.53 -0.92 0.81 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 0.35 0.00 -0.73 -1.63 -0.17 115.58 113.40 1qnd h ASN 10 Ca 0.00 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.85 1qnd h ASN 10 Cb 0.15 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.76 1qnd h ASN 10 CO 0.00 0.02 -1.49 0.17 -0.37 0.00 0.00 177.43 175.76 1qnd h LEU 11 N 0.00 0.66 0.21 0.34 -0.00 -1.69 -3.18 115.31 111.65 1qnd h LEU 11 Ca -0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 57.88 57.11 1qnd h LEU 11 Cb 0.05 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1qnd h LEU 11 CO 0.00 1.62 -0.19 0.58 -0.00 0.00 0.00 178.44 180.45 1qnd h VAL 12 N 0.12 0.58 0.00 0.15 2.07 -1.42 -0.65 116.25 117.10 1qnd h VAL 12 Ca -0.25 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1qnd h VAL 12 Cb 2.10 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1qnd h VAL 12 CO 0.23 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 177.46 1qnd h PHE 13 N -0.42 0.00 -0.00 1.57 0.04 -1.24 -2.62 116.94 114.26 1qnd h PHE 13 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1qnd h PHE 13 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1qnd h PHE 13 CO -0.14 0.10 -0.76 -0.22 -0.60 0.00 0.00 178.31 176.69 1qnd h LYS 14 N 0.00 0.02 -0.43 1.51 3.64 -1.35 -2.07 116.57 117.89 1qnd h LYS 14 Ca -0.00 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1qnd h LYS 14 Cb 0.47 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1qnd h LYS 14 CO 0.01 0.77 0.21 0.93 -2.27 0.00 0.00 179.45 179.10 1qnd h GLU 15 N 0.01 0.41 -0.11 1.90 4.39 -0.75 0.42 114.58 120.85 1qnd h GLU 15 Ca -0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1qnd h GLU 15 Cb 1.35 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1qnd h GLU 15 CO 0.10 0.27 -0.04 0.82 -1.16 0.00 0.00 179.01 179.00 1qnd h ILE 16 N 0.42 0.87 -0.00 3.13 2.04 -1.50 -1.71 117.51 120.75 1qnd h ILE 16 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 1qnd h ILE 16 Cb 0.10 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1qnd h ILE 16 CO -0.14 0.00 -0.34 -0.08 0.00 0.00 0.00 178.15 177.59 1qnd h GLU 17 N -0.01 -0.47 -0.34 2.37 4.81 -1.09 -1.94 114.58 117.90 1qnd h GLU 17 Ca 0.06 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1qnd h GLU 17 Cb 0.10 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1qnd h GLU 17 CO -0.12 -0.32 0.03 -0.22 -0.73 0.00 0.00 179.01 177.66 1qnd h LYS 18 N -0.49 0.14 -0.17 1.92 3.11 0.29 0.29 116.57 121.65 1qnd h LYS 18 Ca 0.06 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.91 1qnd h LYS 18 Cb 0.58 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.76 1qnd h LYS 18 CO -0.28 0.09 0.05 -0.22 -2.81 0.00 0.00 179.45 176.28 1qnd h LYS 19 N 0.14 0.13 -0.90 1.90 1.63 -1.28 0.10 116.57 118.29 1qnd h LYS 19 Ca 0.17 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.05 1qnd h LYS 19 Cb 0.21 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 1qnd h LYS 19 CO -0.25 0.08 0.58 -0.07 -3.45 0.00 0.00 179.45 176.35 1qnd h LEU 20 N 0.13 0.81 0.09 5.20 3.38 -0.29 0.10 115.31 124.73 1qnd h LEU 20 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1qnd h LEU 20 Cb 0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1qnd h LEU 20 CO -0.08 0.48 -0.04 -0.33 0.09 0.00 0.00 178.44 178.56 1qnd h GLU 21 N 0.90 -0.11 -0.47 1.13 4.39 -0.11 0.14 114.58 120.44 1qnd h GLU 21 Ca 0.42 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.18 1qnd h GLU 21 Cb 0.40 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 1qnd h GLU 21 CO -0.18 0.20 0.20 0.93 -1.16 0.00 0.00 179.01 179.00 1qnd h GLU 22 N -0.42 0.38 0.00 2.33 5.08 -0.26 -3.41 114.58 118.28 1qnd h GLU 22 Ca -0.01 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 1qnd h GLU 22 Cb 0.36 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.39 1qnd h GLU 22 CO 0.02 0.25 -0.28 -1.91 -1.00 0.00 0.00 179.01 176.09 1qnd n GLU 23 N -4.96 0.70 0.26 2.33 2.13 -0.03 -4.99 120.64 116.09 1qnd n GLU 23 Ca 0.04 -1.50 0.13 0.00 0.66 0.00 0.00 57.16 56.49 1qnd n GLU 23 Cb 0.16 -0.80 0.68 0.00 0.27 0.00 0.00 31.44 31.75 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 2.89 0.00 1.70 8.31 0.00 -0.75 -3.35 103.07 111.87 1qnd h GLY 24 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1qnd h GLY 24 CO 0.10 0.00 0.11 1.05 0.00 0.00 0.00 176.54 177.80 1qnd h GLU 25 N 0.00 0.00 0.00 4.80 4.11 -1.77 0.18 114.58 121.89 1qnd h GLU 25 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 1qnd h GLU 25 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1qnd h GLU 25 CO 0.02 0.00 -1.82 0.94 0.07 0.00 0.00 179.01 178.22 1qnd n GLN 26 N -4.32 0.65 0.14 1.06 0.00 -1.26 -3.99 117.38 109.66 1qnd n GLN 26 Ca 0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 57.00 57.06 1qnd n GLN 26 Cb 0.23 -1.66 0.16 0.00 0.00 0.00 0.00 30.24 28.97 1qnd n GLN 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1qnd h PHE 27 N 0.00 0.00 -0.72 3.69 -1.00 -1.03 -3.20 116.94 114.69 1qnd h PHE 27 Ca -0.23 0.00 0.11 0.00 2.81 0.00 0.00 57.97 60.66 1qnd h PHE 27 Cb 1.62 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 41.10 1qnd h PHE 27 CO 0.00 0.61 0.32 0.28 -1.61 0.00 0.00 178.31 177.91 1qnd h VAL 28 N 0.00 0.76 0.00 -0.55 2.07 -0.90 0.10 116.25 117.72 1qnd h VAL 28 Ca -0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1qnd h VAL 28 Cb 1.16 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1qnd h VAL 28 CO 0.08 0.09 -0.07 0.11 0.02 0.00 0.00 177.57 177.80 1qnd h LYS 29 N 0.51 0.00 0.00 1.57 1.79 -1.76 0.13 116.57 118.82 1qnd h LYS 29 Ca 0.37 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.74 1qnd h LYS 29 Cb 0.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1qnd h LYS 29 CO -0.33 0.07 -0.49 0.87 -1.08 0.00 0.00 179.45 178.50 1qnd h LYS 30 N 0.00 0.00 0.00 3.15 1.79 -1.10 -3.34 116.57 117.06 1qnd h LYS 30 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1qnd h LYS 30 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1qnd h LYS 30 CO 0.01 0.49 -0.48 -0.89 -1.08 0.00 0.00 179.45 177.50 1qnd n ILE 31 N -3.79 1.26 -2.66 1.86 -0.00 -1.21 -4.86 119.36 109.95 1qnd n ILE 31 Ca -0.01 0.27 -0.02 0.00 -0.00 0.00 0.00 62.75 62.98 1qnd n ILE 31 Cb 0.53 -1.84 0.00 0.00 -0.00 0.00 0.00 39.64 38.33 1qnd n ILE 31 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qnd n GLY 32 N 2.72 -1.10 0.00 7.39 0.00 0.44 -4.75 105.19 109.90 1qnd n GLY 32 Ca -0.07 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1qnd n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnd n GLY 33 N -1.10 -0.58 3.81 -0.02 0.00 -0.16 -4.95 105.19 102.18 1qnd n GLY 33 Ca 0.04 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1qnd n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qnd s ILE 34 N -2.00 4.39 0.30 -0.61 1.09 -1.26 -0.83 121.20 122.28 1qnd s ILE 34 Ca 0.00 1.50 0.04 0.00 -1.10 0.00 0.00 60.65 61.10 1qnd s ILE 34 Cb 0.00 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1qnd s ILE 34 CO 0.00 -0.08 0.21 0.72 -0.10 0.00 0.00 174.94 175.70 1qnd s PHE 35 N -1.87 1.61 0.42 3.97 -0.12 -0.73 -3.88 117.98 117.38 1qnd s PHE 35 Ca 0.54 -1.51 0.04 0.00 -0.05 0.00 0.00 56.93 55.95 1qnd s PHE 35 Cb -0.13 -0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 41.46 1qnd s PHE 35 CO 0.18 -0.70 0.05 0.00 -0.05 0.00 0.00 175.22 174.70 1qnd s ALA 36 N -3.61 3.22 -0.18 1.99 0.00 -0.53 -1.14 121.76 121.52 1qnd s ALA 36 Ca 0.38 -1.39 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1qnd s ALA 36 Cb 0.04 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1qnd s ALA 36 CO 0.21 -0.18 -0.14 -0.06 0.00 0.00 0.00 175.76 175.59 1qnd s PHE 37 N -3.01 2.82 -0.48 0.00 0.08 -0.05 -2.78 117.98 114.56 1qnd s PHE 37 Ca 0.24 -1.19 -0.15 0.00 0.12 0.00 0.00 56.93 55.94 1qnd s PHE 37 Cb 0.05 -1.95 0.08 0.00 -0.57 0.00 0.00 43.02 40.63 1qnd s PHE 37 CO 0.12 -0.58 0.40 0.15 -0.10 0.00 0.00 175.22 175.21 1qnd s LYS 38 N 1.10 2.98 -0.54 0.44 -0.14 -0.92 -3.59 119.74 119.06 1qnd s LYS 38 Ca 0.00 -1.37 -0.03 0.00 -1.36 0.00 0.00 55.97 53.21 1qnd s LYS 38 Cb -0.14 -4.14 0.14 0.00 -1.68 0.00 0.00 37.83 32.01 1qnd s LYS 38 CO -0.04 -1.04 0.34 0.08 -0.76 0.00 0.00 175.35 173.93 1qnd s VAL 39 N 1.64 3.56 0.67 3.17 1.01 -0.44 -3.54 120.40 126.47 1qnd s VAL 39 Ca 0.04 -2.57 0.03 0.00 0.00 0.00 0.00 61.98 59.47 1qnd s VAL 39 Cb -0.25 -3.37 0.11 0.00 0.00 0.00 0.00 36.38 32.88 1qnd s VAL 39 CO 0.06 -0.80 0.92 -1.59 0.00 0.00 0.00 175.10 173.69 1qnd s LYS 40 N 0.45 1.90 -1.63 2.72 -2.85 -1.26 -0.59 119.74 118.48 1qnd s LYS 40 Ca 0.13 -1.27 -0.03 0.00 -1.00 0.00 0.00 55.97 53.80 1qnd s LYS 40 Cb -0.21 -2.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.12 1qnd s LYS 40 CO -0.04 -1.24 0.39 -3.47 0.10 0.00 0.00 175.35 171.09 1qnd n ASP 41 N -2.63 -6.03 -4.18 0.03 2.03 -0.85 -0.94 116.55 103.98 1qnd n ASP 41 Ca 0.15 -0.19 -0.29 0.00 0.52 0.00 0.00 54.79 54.98 1qnd n ASP 41 Cb 0.61 -4.92 0.21 0.00 -0.72 0.00 0.00 41.12 36.30 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 -2.48 1.58 -0.63 0.27 0.00 -1.16 -4.11 107.32 100.80 1qnd s GLY 42 Ca 0.19 -0.74 -0.26 0.00 0.00 0.00 0.00 44.72 43.91 1qnd s GLY 42 CO 0.24 0.03 2.38 2.56 0.00 0.00 0.00 173.10 178.31 1qnd s PRO 43 N -5.26 1.91 0.00 2.90 0.04 -1.26 -0.16 135.00 133.17 1qnd s PRO 43 Ca 0.69 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1qnd s PRO 43 Cb -0.13 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1qnd s PRO 43 CO 0.56 -3.76 0.00 0.41 0.04 0.00 0.00 177.00 174.26 1qnd n GLY 44 N 6.35 1.25 2.66 0.56 0.00 -1.26 -4.81 105.19 109.94 1qnd n GLY 44 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.78 1.70 -0.02 0.00 0.78 -5.03 105.19 103.40 1qnd n GLY 45 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.32 -2.10 -4.46 1.61 5.02 -1.26 -4.31 118.16 110.35 1qnd n LYS 46 Ca 0.00 -0.85 -0.22 0.00 -2.02 0.00 0.00 58.31 55.22 1qnd n LYS 46 Cb 0.01 -0.80 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 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 -4.20 1.65 0.28 1.97 -1.05 -0.67 -2.00 118.70 114.67 1qnd s GLU 47 Ca 0.35 -1.90 0.01 0.00 -0.15 0.00 0.00 54.97 53.28 1qnd s GLU 47 Cb -0.03 -0.99 -0.03 0.00 -0.44 0.00 0.00 34.13 32.64 1qnd s GLU 47 CO 0.27 -0.12 0.28 0.00 0.95 0.00 0.00 175.26 176.63 1qnd s ALA 48 N -3.18 1.25 -0.02 -0.84 0.00 0.24 -0.90 121.76 118.30 1qnd s ALA 48 Ca 0.35 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 1qnd s ALA 48 Cb 0.08 1.36 0.02 0.00 0.00 0.00 0.00 23.12 24.58 1qnd s ALA 48 CO 0.15 -0.68 0.32 0.99 0.00 0.00 0.00 175.76 176.54 1qnd s THR 49 N -3.68 0.05 0.14 0.00 2.01 -1.26 -1.32 115.64 111.59 1qnd s THR 49 Ca 0.37 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 62.05 1qnd s THR 49 Cb 0.03 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1qnd s THR 49 CO 0.19 -0.23 -0.24 0.26 -0.69 0.00 0.00 174.62 173.91 1qnd s TRP 50 N -1.19 2.14 -0.07 4.92 0.51 -1.24 -4.11 118.94 119.91 1qnd s TRP 50 Ca -0.12 -0.39 0.05 0.00 -2.12 0.00 0.00 56.10 53.52 1qnd s TRP 50 Cb -0.05 -1.12 -0.01 0.00 -0.81 0.00 0.00 33.47 31.48 1qnd s TRP 50 CO 0.04 0.35 -0.24 0.08 -0.51 0.00 0.00 176.95 176.67 1qnd s VAL 51 N -1.34 2.00 -0.16 4.03 1.01 -1.23 -0.87 120.40 123.83 1qnd s VAL 51 Ca 0.14 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1qnd s VAL 51 Cb -0.09 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1qnd s VAL 51 CO 0.07 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 175.00 1qnd s VAL 52 N -0.02 0.92 -0.35 2.92 1.01 -0.29 -1.19 120.40 123.40 1qnd s VAL 52 Ca -0.08 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1qnd s VAL 52 Cb -0.15 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1qnd s VAL 52 CO 0.05 0.06 1.14 -0.62 0.00 0.00 0.00 175.10 175.73 1qnd s ASP 53 N 1.71 6.82 -0.40 3.32 -1.08 -0.37 -1.77 116.67 124.89 1qnd s ASP 53 Ca 0.01 0.96 0.11 0.00 -0.52 0.00 0.00 52.55 53.11 1qnd s ASP 53 Cb -0.15 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.16 1qnd s ASP 53 CO -0.07 -1.00 0.91 1.33 0.52 0.00 0.00 175.17 176.85 1qnd n VAL 54 N 6.15 1.23 0.00 1.11 0.24 -0.01 -1.08 118.33 125.96 1qnd n VAL 54 Ca 0.13 -4.32 0.00 0.00 -2.04 0.00 0.00 64.34 58.10 1qnd n VAL 54 Cb 0.47 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.06 0.00 -2.48 7.34 0.00 -1.19 -0.99 118.16 120.78 1qnd n LYS 55 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 58.13 1qnd n LYS 55 Cb 0.66 -0.01 -0.04 0.00 0.00 0.00 0.00 35.03 35.65 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 -1.62 7.22 0.54 3.14 0.01 -1.26 -4.89 114.94 118.07 1qnd s ASN 56 Ca 0.00 2.12 0.00 0.00 -0.71 0.00 0.00 52.86 54.27 1qnd s ASN 56 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1qnd s ASN 56 CO 0.00 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 1qnd n GLY 57 N 2.11 2.54 0.48 0.66 0.00 -1.26 -0.43 105.19 109.30 1qnd n GLY 57 Ca 0.03 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 1.63 0.00 1.61 4.76 -1.26 -4.93 118.16 133.97 1qnd n LYS 58 Ca 0.00 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.49 1qnd n LYS 58 Cb 0.00 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 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 1.09 -1.15 3.62 0.72 0.00 0.43 -2.74 105.19 107.17 1qnd n GLY 59 Ca 0.16 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 1qnd n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qnd s SER 60 N -2.54 -0.27 0.36 1.61 0.01 -0.24 -4.75 113.70 107.88 1qnd s SER 60 Ca 0.00 0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.65 1qnd s SER 60 Cb 0.00 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 1qnd s SER 60 CO 0.00 -0.16 0.63 -0.69 0.41 0.00 0.00 173.24 173.43 1qnd s VAL 61 N -0.39 4.99 -0.49 3.43 1.01 -1.26 -1.24 120.40 126.45 1qnd s VAL 61 Ca 0.04 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1qnd s VAL 61 Cb -0.03 -3.79 0.18 0.00 0.00 0.00 0.00 36.38 32.74 1qnd s VAL 61 CO -0.06 -0.51 0.40 0.18 0.00 0.00 0.00 175.10 175.10 1qnd n LEU 62 N -1.45 0.49 -4.73 3.92 4.77 -0.34 -4.94 117.00 114.72 1qnd n LEU 62 Ca -0.01 -4.62 -0.42 0.00 -0.03 0.00 0.00 56.01 50.93 1qnd n LEU 62 Cb 0.55 0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1qnd n LEU 62 CO 0.49 1.85 1.22 -2.16 -1.33 0.00 0.00 177.39 177.47 1qnd s PRO 63 N -0.44 4.19 -1.47 3.23 0.04 -1.26 -2.63 135.00 136.65 1qnd s PRO 63 Ca 0.31 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1qnd s PRO 63 Cb 0.03 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1qnd s PRO 63 CO -0.18 -0.59 0.00 0.09 0.04 0.00 0.00 177.00 176.36 1qnd n ASN 64 N 3.02 -4.15 -4.81 6.66 3.02 -1.26 -4.89 115.26 112.85 1qnd n ASN 64 Ca 0.11 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.58 1qnd n ASN 64 Cb 0.38 -3.69 -0.06 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.18 7.12 0.00 6.41 0.15 -1.08 -4.96 113.70 119.15 1qnd s SER 65 Ca 0.00 1.60 0.27 0.00 0.70 0.00 0.00 55.95 58.52 1qnd s SER 65 Cb 0.00 -2.49 0.89 0.00 -1.71 0.00 0.00 66.02 62.71 1qnd s SER 65 CO 0.00 -0.09 1.68 -0.67 1.20 0.00 0.00 173.24 175.36 1qnd n ASP 66 N 0.33 0.29 -4.64 5.45 2.03 -1.26 -4.82 116.55 113.94 1qnd n ASP 66 Ca 0.01 0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 1qnd n ASP 66 Cb 0.51 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1qnd n ASP 66 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1qnd n LYS 67 N -1.44 1.56 -0.65 -0.67 5.02 -1.26 -4.98 118.16 115.75 1qnd n LYS 67 Ca 0.07 0.56 -0.17 0.00 -2.02 0.00 0.00 58.31 56.75 1qnd n LYS 67 Cb 0.33 -2.11 0.14 0.00 -0.02 0.00 0.00 35.03 33.37 1qnd n LYS 67 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qnd n LYS 68 N 0.29 -2.05 -3.96 1.97 2.85 -1.26 -5.00 118.16 111.00 1qnd n LYS 68 Ca 0.08 -1.02 -0.10 0.00 -1.05 0.00 0.00 58.31 56.23 1qnd n LYS 68 Cb 0.38 -0.91 -0.07 0.00 -0.65 0.00 0.00 35.03 33.77 1qnd n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qnd s ALA 69 N -3.12 -0.01 0.08 0.58 0.00 -1.26 -4.95 121.76 113.09 1qnd s ALA 69 Ca 0.41 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 1qnd s ALA 69 Cb -0.04 0.85 -0.11 0.00 0.00 0.00 0.00 23.12 23.83 1qnd s ALA 69 CO 0.31 -0.64 1.42 0.22 0.00 0.00 0.00 175.76 177.06 1qnd h ASP 70 N 2.55 -1.24 -5.13 0.00 1.82 -1.92 -3.48 116.42 109.01 1qnd h ASP 70 Ca -0.32 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.43 1qnd h ASP 70 Cb 1.23 0.47 -0.09 0.00 0.68 0.00 0.00 39.33 41.61 1qnd h ASP 70 CO 0.48 -0.40 -0.01 0.00 -1.61 0.00 0.00 179.24 177.70 1qnd s THR 72 N -3.93 0.07 0.68 0.00 2.01 -1.26 -1.45 115.64 111.76 1qnd s THR 72 Ca 0.14 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.25 1qnd s THR 72 Cb -0.01 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.30 1qnd s THR 72 CO 0.02 0.15 1.03 -0.51 -0.69 0.00 0.00 174.62 174.62 1qnd s ILE 73 N 1.39 3.33 -0.22 1.82 2.07 -1.12 -4.55 121.20 123.92 1qnd s ILE 73 Ca -0.05 0.22 -0.09 0.00 -1.41 0.00 0.00 60.65 59.33 1qnd s ILE 73 Cb -0.13 -3.39 -0.04 0.00 0.13 0.00 0.00 42.46 39.02 1qnd s ILE 73 CO -0.03 -0.47 0.11 -0.89 -1.91 0.00 0.00 174.94 171.75 1qnd s THR 74 N -3.25 4.99 -0.25 4.00 2.01 -1.26 -2.17 115.64 119.70 1qnd s THR 74 Ca 0.57 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 1qnd s THR 74 Cb -0.11 -3.29 0.07 0.00 0.01 0.00 0.00 72.50 69.18 1qnd s THR 74 CO 0.49 0.39 0.62 0.00 -0.69 0.00 0.00 174.62 175.43 1qnd s MET 75 N 0.85 0.65 0.69 4.92 0.23 -1.23 -4.55 119.30 120.86 1qnd s MET 75 Ca 0.06 1.07 -0.15 0.00 -1.03 0.00 0.00 55.69 55.63 1qnd s MET 75 Cb -0.13 0.15 0.02 0.00 -1.53 0.00 0.00 34.83 33.34 1qnd s MET 75 CO 0.03 -0.14 1.16 0.00 -2.03 0.00 0.00 175.02 174.03 1qnd s ALA 76 N 1.32 2.30 0.21 3.16 0.00 -1.26 -4.18 121.76 123.31 1qnd s ALA 76 Ca -0.08 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1qnd s ALA 76 Cb -0.06 -3.39 0.26 0.00 0.00 0.00 0.00 23.12 19.93 1qnd s ALA 76 CO -0.14 -1.55 1.66 0.22 0.00 0.00 0.00 175.76 175.95 1qnd h ASP 77 N -0.08 -0.31 -0.05 0.00 3.58 -1.25 0.70 116.42 119.01 1qnd h ASP 77 Ca -0.47 0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.14 1qnd h ASP 77 Cb 1.27 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.59 1qnd h ASP 77 CO 0.52 -0.12 0.06 -1.28 -2.88 0.00 0.00 179.24 175.54 1qnd h SER 78 N 0.09 0.00 0.00 2.28 0.87 -1.80 -1.20 113.55 113.79 1qnd h SER 78 Ca 0.30 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 1qnd h SER 78 Cb 0.48 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1qnd h SER 78 CO -0.52 0.00 -1.91 -0.67 -0.53 0.00 0.00 176.83 173.20 1qnd n ASP 79 N -3.78 1.34 0.35 6.23 2.03 0.03 -1.81 116.55 120.93 1qnd n ASP 79 Ca -0.02 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.11 1qnd n ASP 79 Cb 0.15 1.17 -0.09 0.00 -0.72 0.00 0.00 41.12 41.63 1qnd n ASP 79 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1qnd h PHE 80 N 0.00 -1.08 -0.90 -0.67 0.04 -0.86 -2.15 116.94 111.32 1qnd h PHE 80 Ca -0.26 -0.01 0.19 0.00 2.80 0.00 0.00 57.97 60.69 1qnd h PHE 80 Cb 1.49 0.39 -0.07 0.00 2.20 0.00 0.00 35.95 39.96 1qnd h PHE 80 CO 0.00 -0.60 0.59 1.25 -0.60 0.00 0.00 178.31 178.95 1qnd h LEU 81 N -0.97 0.49 -0.80 1.54 5.85 -1.34 -0.25 115.31 119.82 1qnd h LEU 81 Ca -0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1qnd h LEU 81 Cb 0.80 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1qnd h LEU 81 CO 0.06 0.21 0.51 0.00 -0.34 0.00 0.00 178.44 178.88 1qnd h ALA 82 N 1.61 1.01 0.15 1.25 0.00 -1.11 -1.40 119.26 120.78 1qnd h ALA 82 Ca 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1qnd h ALA 82 Cb 1.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qnd h ALA 82 CO -0.20 0.45 -0.07 -0.07 0.00 0.00 0.00 179.25 179.36 1qnd h LEU 83 N 1.08 -0.17 0.02 0.00 3.38 -0.42 -2.41 115.31 116.80 1qnd h LEU 83 Ca 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1qnd h LEU 83 Cb -0.09 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1qnd h LEU 83 CO -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.41 1qnd h MET 84 N -0.34 -0.02 0.00 1.13 -0.00 -1.39 -3.21 114.93 111.10 1qnd h MET 84 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.58 1qnd h MET 84 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.74 1qnd h MET 84 CO 0.03 0.70 -0.48 1.15 -0.00 0.00 0.00 176.91 178.31 1qnd h THR 85 N -0.79 1.01 0.00 -0.10 2.02 -1.58 -3.36 112.91 110.12 1qnd h THR 85 Ca -0.00 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1qnd h THR 85 Cb 0.73 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1qnd h THR 85 CO 0.00 0.47 0.00 0.61 0.37 0.00 0.00 175.52 176.97 1qnd n GLY 86 N 0.53 1.05 0.00 2.16 0.00 -0.60 -4.65 105.19 103.67 1qnd n GLY 86 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.90 0.04 -1.99 1.61 4.81 -0.92 -4.90 118.16 114.91 1qnd n LYS 87 Ca 0.00 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1qnd n LYS 87 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 1qnd n LYS 87 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1qnd n MET 88 N -1.40 -4.24 -3.68 1.64 2.81 -1.15 -4.86 117.12 106.23 1qnd n MET 88 Ca 0.02 3.16 -0.14 0.00 -1.81 0.00 0.00 57.70 58.93 1qnd n MET 88 Cb 0.06 -3.76 -0.08 0.00 -0.71 0.00 0.00 33.22 28.73 1qnd n MET 88 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1qnd s ASN 89 N -0.46 -0.52 1.20 7.83 2.47 -1.26 -4.92 114.94 119.28 1qnd s ASN 89 Ca 0.00 0.90 -0.18 0.00 0.42 0.00 0.00 52.86 54.00 1qnd s ASN 89 Cb 0.00 0.92 0.27 0.00 -1.45 0.00 0.00 41.25 40.99 1qnd s ASN 89 CO 0.00 -0.27 1.02 -0.81 -3.72 0.00 0.00 177.10 173.32 1qnd n PRO 90 N 2.37 -2.76 -1.55 0.43 -0.04 -1.26 -4.87 135.00 127.33 1qnd n PRO 90 Ca -0.15 -1.62 -0.20 0.00 -0.04 0.00 0.00 63.50 61.49 1qnd n PRO 90 Cb 0.56 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -4.43 0.61 -0.00 0.54 0.00 -1.26 -4.79 117.38 108.04 1qnd n GLN 91 Ca 0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 57.00 56.55 1qnd n GLN 91 Cb 0.53 -3.33 0.18 0.00 0.00 0.00 0.00 30.24 27.62 1qnd n GLN 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1qnd h SER 92 N 14.21 0.54 0.11 2.61 4.64 -1.93 -1.89 113.55 131.85 1qnd h SER 92 Ca -0.06 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1qnd h SER 92 Cb 1.09 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1qnd h SER 92 CO 1.11 0.79 -0.16 0.00 -0.87 0.00 0.00 176.83 177.69 1qnd h ALA 93 N 1.26 1.60 0.01 5.18 0.00 -1.85 -0.41 119.26 125.04 1qnd h ALA 93 Ca 0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1qnd h ALA 93 Cb 0.69 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1qnd h ALA 93 CO 0.05 0.30 -0.63 0.35 0.00 0.00 0.00 179.25 179.32 1qnd h PHE 94 N 0.11 0.62 -0.77 0.00 3.04 -1.66 -2.08 116.94 116.19 1qnd h PHE 94 Ca 0.02 -0.34 0.12 0.00 3.98 0.00 0.00 57.97 61.75 1qnd h PHE 94 Cb 0.36 -0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 1qnd h PHE 94 CO 0.00 1.17 0.38 0.35 -2.02 0.00 0.00 178.31 178.19 1qnd h PHE 95 N -0.10 0.67 -0.19 0.41 3.04 -0.50 -0.36 116.94 119.89 1qnd h PHE 95 Ca -0.08 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1qnd h PHE 95 Cb 1.34 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1qnd h PHE 95 CO 0.15 0.19 0.00 0.00 -2.02 0.00 0.00 178.31 176.62 1qnd n GLN 96 N -4.89 1.48 0.00 1.11 10.64 -0.27 -4.91 117.38 120.55 1qnd n GLN 96 Ca 0.14 -0.71 0.00 0.00 -1.83 0.00 0.00 57.00 54.60 1qnd n GLN 96 Cb 0.36 -1.18 0.00 0.00 -0.86 0.00 0.00 30.24 28.55 1qnd n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1qnd n GLY 97 N 0.77 2.12 0.18 2.61 0.00 -0.15 -4.80 105.19 105.93 1qnd n GLY 97 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1qnd n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qnd h LYS 98 N 0.40 0.00 0.00 1.61 1.79 -1.79 -3.48 116.57 115.11 1qnd h LYS 98 Ca 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1qnd h LYS 98 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1qnd h LYS 98 CO 0.00 0.00 -0.07 -0.11 -1.08 0.00 0.00 179.45 178.19 1qnd n LEU 99 N -2.40 0.00 -3.75 2.94 7.94 -0.79 -4.97 117.00 115.97 1qnd n LEU 99 Ca -0.00 0.22 -0.14 0.00 -1.11 0.00 0.00 56.01 54.98 1qnd n LEU 99 Cb 0.14 -0.61 -0.15 0.00 0.53 0.00 0.00 43.42 43.33 1qnd n LEU 99 CO 0.16 -1.20 -0.24 -1.59 -1.11 0.00 0.00 177.39 173.41 1qnd s LYS 100 N -0.38 0.08 0.00 1.96 -2.85 -1.26 -4.45 119.74 112.84 1qnd s LYS 100 Ca 0.00 0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 1qnd s LYS 100 Cb 0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.58 1qnd s LYS 100 CO 0.00 -0.17 0.00 -0.89 0.10 0.00 0.00 175.35 174.39 1qnd n ILE 101 N 4.22 0.00 -1.15 3.79 2.08 -1.26 -4.87 119.36 122.17 1qnd n ILE 101 Ca -0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.04 1qnd n ILE 101 Cb 0.51 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 1qnd n ILE 101 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1qnd n THR 102 N 0.00 0.00 0.00 1.39 -2.24 -1.26 -4.82 114.28 107.35 1qnd n THR 102 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qnd n THR 102 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1qnd n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qnd n GLY 103 N 0.00 -1.24 4.10 3.38 0.00 -1.26 -5.07 105.19 105.10 1qnd n GLY 103 Ca 0.00 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.08 -3.68 1.61 3.02 -1.26 -0.97 115.26 110.90 1qnd n ASN 104 Ca 0.00 -1.28 -0.29 0.00 -0.03 0.00 0.00 54.58 52.99 1qnd n ASN 104 Cb 0.00 -1.78 0.03 0.00 -0.61 0.00 0.00 39.78 37.41 1qnd n ASN 104 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1qnd n MET 105 N -4.91 -1.15 0.00 3.52 1.56 -1.26 -2.77 117.12 112.10 1qnd n MET 105 Ca -0.16 0.59 0.00 0.00 -0.27 0.00 0.00 57.70 57.86 1qnd n MET 105 Cb 0.59 -3.75 0.00 0.00 2.15 0.00 0.00 33.22 32.22 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 -1.74 1.91 1.24 -5.12 0.00 -0.14 -4.59 105.19 96.75 1qnd n GLY 106 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.00 0.99 -0.00 -1.09 -4.85 117.00 112.00 1qnd n LEU 107 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1qnd n LEU 107 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1qnd n LEU 107 CO 0.00 -0.05 0.09 0.00 -0.00 0.00 0.00 177.39 177.43 1qnd n ALA 108 N -0.73 -0.08 -2.92 1.47 0.00 -1.26 -4.74 120.51 112.25 1qnd n ALA 108 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1qnd n ALA 108 Cb 0.03 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.52 1qnd n ALA 108 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1qnd n MET 109 N -1.76 0.97 0.00 0.00 1.56 -1.26 -4.98 117.12 111.66 1qnd n MET 109 Ca 0.00 -2.51 0.08 0.00 -0.27 0.00 0.00 57.70 55.00 1qnd n MET 109 Cb 0.00 -1.32 0.39 0.00 2.15 0.00 0.00 33.22 34.44 1qnd n MET 109 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1qnd n LYS 110 N 0.47 0.22 -3.64 2.12 4.76 -1.26 -4.50 118.16 116.33 1qnd n LYS 110 Ca 0.14 0.14 -0.11 0.00 -2.87 0.00 0.00 58.31 55.61 1qnd n LYS 110 Cb 0.67 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.29 1qnd n LYS 110 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1qnd s LEU 111 N -2.57 -0.71 0.37 -0.35 2.34 -1.26 -5.04 118.68 111.46 1qnd s LEU 111 Ca 0.15 1.40 0.04 0.00 0.06 0.00 0.00 54.13 55.78 1qnd s LEU 111 Cb 0.10 2.30 0.72 0.00 -0.56 0.00 0.00 46.19 48.76 1qnd s LEU 111 CO 0.23 -0.24 2.03 1.56 -1.06 0.00 0.00 176.35 178.88 1qnd h GLN 112 N 5.96 0.72 -0.43 1.48 7.50 -1.87 -2.95 115.11 125.52 1qnd h GLN 112 Ca -0.30 -0.04 0.13 0.00 0.50 0.00 0.00 58.65 58.94 1qnd h GLN 112 Cb 1.19 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 28.54 1qnd h GLN 112 CO 0.12 0.48 0.35 -0.91 -1.50 0.00 0.00 178.83 177.37 1qnd h ASN 113 N 0.74 0.00 0.30 1.46 2.35 -1.97 0.19 115.58 118.65 1qnd h ASN 113 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1qnd h ASN 113 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1qnd h ASN 113 CO -0.04 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.63 1qnd n LEU 114 N -4.17 0.00 -2.72 1.61 7.94 -1.11 -3.54 117.00 115.00 1qnd n LEU 114 Ca 0.08 0.25 -0.04 0.00 -1.11 0.00 0.00 56.01 55.18 1qnd n LEU 114 Cb 0.54 -0.25 0.08 0.00 0.53 0.00 0.00 43.42 44.33 1qnd n LEU 114 CO 0.34 -0.10 0.25 0.00 -1.11 0.00 0.00 177.39 176.76 1qnd n GLN 115 N -1.25 1.38 -0.12 1.96 6.02 0.65 -4.76 117.38 121.27 1qnd n GLN 115 Ca 0.09 -2.49 0.02 0.00 -0.01 0.00 0.00 57.00 54.61 1qnd n GLN 115 Cb 0.14 -0.65 -0.00 0.00 1.02 0.00 0.00 30.24 30.74 1qnd n GLN 115 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1qnd n LEU 116 N -0.73 0.00 -4.57 1.08 -0.00 -1.10 -4.49 117.00 107.19 1qnd n LEU 116 Ca -0.01 0.12 -0.41 0.00 -0.00 0.00 0.00 56.01 55.71 1qnd n LEU 116 Cb 0.84 -0.49 -0.07 0.00 -0.00 0.00 0.00 43.42 43.70 1qnd n LEU 116 CO 0.02 -0.44 0.31 -1.10 -0.00 0.00 0.00 177.39 176.18 1qnd s GLN 117 N -0.45 3.68 1.11 1.47 -1.52 -1.26 -4.16 119.66 118.54 1qnd s GLN 117 Ca 0.00 -0.02 -0.19 0.00 -1.95 0.00 0.00 55.36 53.20 1qnd s GLN 117 Cb 0.00 -3.80 0.27 0.00 -0.22 0.00 0.00 33.01 29.26 1qnd s GLN 117 CO 0.00 -0.66 1.23 -0.35 -0.25 0.00 0.00 175.29 175.25 1qnd n PRO 118 N 5.87 -2.23 0.00 2.91 -0.04 -1.26 -4.93 135.00 135.32 1qnd n PRO 118 Ca -0.03 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1qnd n PRO 118 Cb 0.49 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1qnd n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qnd n GLY 119 N -4.31 0.78 3.16 0.55 0.00 -1.26 -5.13 105.19 98.98 1qnd n GLY 119 Ca 0.16 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.40 -0.15 -0.29 1.61 2.47 -1.26 -5.15 114.94 110.77 1qnd s ASN 120 Ca 0.00 0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.47 1qnd s ASN 120 Cb 0.00 0.36 0.16 0.00 -1.45 0.00 0.00 41.25 40.32 1qnd s ASN 120 CO 0.00 -0.28 0.43 0.00 -3.72 0.00 0.00 177.10 173.53 1qnd s ALA 121 N -0.76 -1.33 0.00 1.71 0.00 -1.26 -4.97 121.76 115.16 1qnd s ALA 121 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1qnd s ALA 121 Cb -0.05 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1qnd s ALA 121 CO 0.02 -1.71 0.00 0.36 0.00 0.00 0.00 175.76 174.43 1qnd n LYS 122 N 5.36 0.00 0.00 0.00 2.85 -1.26 -5.31 118.16 119.80 1qnd n LYS 122 Ca 0.01 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.29 1qnd n LYS 122 Cb 0.50 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.90 1qnd n LYS 122 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82