#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyz s ASP 3 N 0.00 6.01 0.36 0.00 -1.08 -1.26 -4.90 116.67 115.81 1qyz s ASP 3 Ca 0.00 -1.53 0.09 0.00 -0.52 0.00 0.00 52.55 50.59 1qyz s ASP 3 Cb 0.00 -2.13 0.70 0.00 -1.46 0.00 0.00 42.92 40.03 1qyz s ASP 3 CO 0.00 -0.68 1.86 1.23 0.52 0.00 0.00 175.17 178.10 1qyz h GLY 4 N 8.69 0.25 1.07 2.66 0.00 -1.93 -1.77 103.07 112.04 1qyz h GLY 4 Ca -0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1qyz h GLY 4 CO 0.89 0.16 0.14 0.00 0.00 0.00 0.00 176.54 177.73 1qyz h ALA 5 N 1.58 0.92 -0.18 3.60 0.00 -1.93 0.99 119.26 124.23 1qyz h ALA 5 Ca 0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 1qyz h ALA 5 Cb 0.49 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1qyz h ALA 5 CO 0.03 0.67 -0.70 0.87 0.00 0.00 0.00 179.25 180.11 1qyz h LYS 6 N 1.06 0.80 -0.32 0.00 1.57 -1.87 -1.66 116.57 116.16 1qyz h LYS 6 Ca 0.21 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1qyz h LYS 6 Cb 0.41 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1qyz h LYS 6 CO 0.01 1.23 0.17 0.82 -0.57 0.00 0.00 179.45 181.11 1qyz h ILE 7 N 0.55 1.14 -0.69 1.86 2.04 -1.21 -2.49 117.51 118.71 1qyz h ILE 7 Ca -0.04 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.53 1qyz h ILE 7 Cb 1.33 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 1qyz h ILE 7 CO 0.15 0.14 0.38 0.22 0.00 0.00 0.00 178.15 179.03 1qyz h TYR 8 N 0.39 0.69 -0.49 1.37 5.03 -0.74 -2.05 116.97 121.16 1qyz h TYR 8 Ca 0.11 0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.54 1qyz h TYR 8 Cb 0.07 -0.21 -0.08 0.00 1.55 0.00 0.00 36.73 38.06 1qyz h TYR 8 CO -0.03 0.31 0.00 0.00 -1.32 0.00 0.00 178.16 177.13 1qyz h ALA 9 N 1.37 0.47 0.00 1.82 0.00 -1.00 0.02 119.26 121.94 1qyz h ALA 9 Ca 0.32 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1qyz h ALA 9 Cb 0.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1qyz h ALA 9 CO -0.20 -0.38 0.00 1.04 0.00 0.00 0.00 179.25 179.70 1qyz n GLN 10 N -5.23 0.31 -1.10 0.00 6.02 -0.79 -2.81 117.38 113.79 1qyz n GLN 10 Ca 0.05 0.09 0.02 0.00 -0.01 0.00 0.00 57.00 57.16 1qyz n GLN 10 Cb 0.27 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.04 1qyz n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qyz n ALA 12 N 0.29 2.47 0.84 0.00 0.00 -0.60 -4.36 120.51 119.15 1qyz n ALA 12 Ca 0.03 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.06 1qyz n ALA 12 Cb 0.96 -1.00 0.50 0.00 0.00 0.00 0.00 19.45 19.91 1qyz n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qyz n GLY 13 N 1.00 -1.22 0.15 0.00 0.00 -1.26 -0.83 105.19 103.03 1qyz n GLY 13 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1qyz n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qyz n HIS 15 N -4.20 0.00 0.00 0.00 8.25 -1.24 -4.34 115.22 113.68 1qyz n HIS 15 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1qyz n HIS 15 Cb 0.43 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1qyz n HIS 15 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qyz n GLN 16 N -1.49 0.00 0.24 -0.41 1.13 -0.01 -0.80 117.38 116.03 1qyz n GLN 16 Ca 0.07 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.20 1qyz n GLN 16 Cb 0.32 0.00 0.60 0.00 0.11 0.00 0.00 30.24 31.27 1qyz n GLN 16 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1qyz h GLN 17 N 0.00 0.04 -0.08 -1.09 5.75 -1.96 -0.54 115.11 117.23 1qyz h GLN 17 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1qyz h GLN 17 Cb 0.00 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1qyz h GLN 17 CO 0.00 0.06 0.00 0.27 -2.65 0.00 0.00 178.83 176.51 1qyz n ASN 18 N -4.50 1.25 -0.81 -0.69 0.23 -1.26 -4.94 115.26 104.55 1qyz n ASN 18 Ca -0.02 -1.55 -0.11 0.00 -0.53 0.00 0.00 54.58 52.37 1qyz n ASN 18 Cb 0.12 -0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 37.72 1qyz n ASN 18 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qyz n GLY 19 N 1.09 1.04 0.24 4.83 0.00 -0.21 -4.72 105.19 107.47 1qyz n GLY 19 Ca 0.17 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1qyz n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qyz n GLN 20 N -1.04 1.01 0.00 1.61 6.02 -1.13 -0.86 117.38 122.99 1qyz n GLN 20 Ca -0.11 -0.49 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1qyz n GLN 20 Cb 0.55 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1qyz n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qyz n GLY 21 N 1.25 -1.03 2.83 1.08 0.00 0.02 -4.14 105.19 105.20 1qyz n GLY 21 Ca 0.15 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1qyz n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qyz s ILE 22 N 0.00 0.80 0.02 -0.61 -1.09 -0.39 -4.84 121.20 115.09 1qyz s ILE 22 Ca 0.00 -0.44 -0.37 0.00 -2.23 0.00 0.00 60.65 57.61 1qyz s ILE 22 Cb 0.00 -1.05 -0.16 0.00 -1.58 0.00 0.00 42.46 39.67 1qyz s ILE 22 CO 0.00 0.08 1.42 -2.65 -1.23 0.00 0.00 174.94 172.56 1qyz n PRO 23 N 4.98 1.16 0.00 2.79 -0.02 -1.26 -0.94 135.00 141.71 1qyz n PRO 23 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1qyz n PRO 23 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1qyz n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qyz n GLY 24 N 2.85 2.95 0.40 -1.23 0.00 -1.26 -4.73 105.19 104.17 1qyz n GLY 24 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 1qyz n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qyz n ALA 25 N -0.07 1.57 -4.05 4.61 0.00 -0.11 -4.67 120.51 117.79 1qyz n ALA 25 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.57 1qyz n ALA 25 Cb 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 1qyz n ALA 25 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qyz s PHE 26 N -2.61 2.43 0.64 0.00 0.08 -0.36 -4.82 117.98 113.33 1qyz s PHE 26 Ca -0.20 -1.44 -0.16 0.00 0.12 0.00 0.00 56.93 55.26 1qyz s PHE 26 Cb 0.03 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1qyz s PHE 26 CO 0.29 -0.73 1.10 -1.25 -0.10 0.00 0.00 175.22 174.54 1qyz s PRO 27 N 1.40 2.93 0.45 0.24 0.04 -1.26 -1.26 135.00 137.55 1qyz s PRO 27 Ca 0.04 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1qyz s PRO 27 Cb -0.14 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1qyz s PRO 27 CO -0.11 -1.14 1.26 -1.25 0.04 0.00 0.00 177.00 175.80 1qyz s PRO 28 N -4.01 3.74 -0.27 0.56 0.04 -1.26 -4.37 135.00 129.43 1qyz s PRO 28 Ca 0.67 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 1qyz s PRO 28 Cb -0.20 -2.54 -0.14 0.00 0.04 0.00 0.00 34.50 31.66 1qyz s PRO 28 CO 0.39 -0.65 -0.30 1.28 0.04 0.00 0.00 177.00 177.77 1qyz n LEU 29 N -0.31 2.16 -4.66 -3.56 4.77 -0.04 -4.63 117.00 110.74 1qyz n LEU 29 Ca 0.06 0.25 -0.50 0.00 -0.03 0.00 0.00 56.01 55.80 1qyz n LEU 29 Cb 0.45 -0.85 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1qyz n LEU 29 CO 0.52 0.64 1.21 0.00 -1.33 0.00 0.00 177.39 178.43 1qyz n ALA 30 N -4.00 0.47 -0.32 -1.18 0.00 -0.11 -0.93 120.51 114.43 1qyz n ALA 30 Ca -0.52 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1qyz n ALA 30 Cb 0.90 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1qyz n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qyz n GLY 31 N 3.53 1.67 0.03 0.00 0.00 -1.26 -4.76 105.19 104.40 1qyz n GLY 31 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1qyz n GLY 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qyz n HIS 32 N -2.00 0.00 -0.32 1.61 -0.00 -0.11 -4.43 115.22 109.97 1qyz n HIS 32 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 1qyz n HIS 32 Cb 0.00 -0.36 0.24 0.00 -0.00 0.00 0.00 29.99 29.87 1qyz n HIS 32 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1qyz h VAL 33 N 0.00 1.03 -0.57 3.57 2.07 -1.54 -1.72 116.25 119.09 1qyz h VAL 33 Ca -0.17 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1qyz h VAL 33 Cb 1.25 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1qyz h VAL 33 CO 0.01 0.19 0.26 0.00 0.02 0.00 0.00 177.57 178.04 1qyz h ALA 34 N 1.51 1.39 -0.67 1.67 0.00 -1.81 -0.13 119.26 121.22 1qyz h ALA 34 Ca 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1qyz h ALA 34 Cb 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1qyz h ALA 34 CO -0.17 0.47 0.29 0.93 0.00 0.00 0.00 179.25 180.77 1qyz h GLU 35 N 0.80 0.98 0.03 0.00 5.08 -1.54 -0.93 114.58 119.00 1qyz h GLU 35 Ca 0.20 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1qyz h GLU 35 Cb 0.11 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1qyz h GLU 35 CO -0.02 0.78 -0.57 0.82 -1.00 0.00 0.00 179.01 179.02 1qyz h ILE 36 N 0.97 1.48 -0.06 3.13 2.04 -0.97 -3.25 117.51 120.84 1qyz h ILE 36 Ca 0.23 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 63.94 1qyz h ILE 36 Cb 0.16 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1qyz h ILE 36 CO -0.02 0.62 0.05 -0.07 0.00 0.00 0.00 178.15 178.72 1qyz h LEU 37 N -0.26 0.00 -0.37 1.44 3.38 -0.89 -1.28 115.31 117.33 1qyz h LEU 37 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qyz h LEU 37 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1qyz h LEU 37 CO 0.11 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1qyz n ALA 38 N -2.45 1.75 -2.34 1.53 0.00 -0.37 -4.70 120.51 113.93 1qyz n ALA 38 Ca -0.02 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1qyz n ALA 38 Cb 0.15 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1qyz n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qyz s LYS 39 N -3.17 4.04 -0.10 0.00 -0.14 -0.48 -5.02 119.74 114.86 1qyz s LYS 39 Ca 0.06 0.56 -0.30 0.00 -1.36 0.00 0.00 55.97 54.93 1qyz s LYS 39 Cb 0.10 -3.02 -0.08 0.00 -1.68 0.00 0.00 37.83 33.15 1qyz s LYS 39 CO 0.37 0.53 2.07 -1.91 -0.76 0.00 0.00 175.35 175.65 1qyz n GLU 40 N 1.09 2.34 -0.21 1.68 2.13 -1.26 -1.10 120.64 125.32 1qyz n GLU 40 Ca -0.07 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1qyz n GLU 40 Cb 0.52 -3.01 0.00 0.00 0.27 0.00 0.00 31.44 29.21 1qyz n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qyz n GLY 41 N 5.09 0.62 0.31 8.31 0.00 -1.26 -4.83 105.19 113.44 1qyz n GLY 41 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 1qyz n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qyz h GLY 42 N 0.00 1.16 1.48 -0.02 0.00 -1.27 -1.98 103.07 102.44 1qyz h GLY 42 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.54 1qyz h GLY 42 CO 0.00 0.62 -0.38 0.07 0.00 0.00 0.00 176.54 176.85 1qyz h ARG 43 N 1.03 0.58 -0.59 4.80 0.11 -1.82 -2.13 114.38 116.36 1qyz h ARG 43 Ca 0.23 -0.28 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 1qyz h ARG 43 Cb 0.26 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.31 1qyz h ARG 43 CO -0.01 0.86 0.19 0.93 0.10 0.00 0.00 179.97 182.04 1qyz h GLU 44 N 0.48 0.92 -0.51 0.08 3.07 -1.93 -2.83 114.58 113.86 1qyz h GLU 44 Ca 0.05 -0.20 0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1qyz h GLU 44 Cb 0.87 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 1qyz h GLU 44 CO 0.07 0.82 0.26 -0.92 -1.40 0.00 0.00 179.01 177.84 1qyz h TYR 45 N 0.84 0.47 -0.97 4.33 3.20 -1.05 -0.43 116.97 123.36 1qyz h TYR 45 Ca 0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1qyz h TYR 45 Cb 0.28 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1qyz h TYR 45 CO 0.02 0.23 0.62 -0.07 -1.64 0.00 0.00 178.16 177.32 1qyz h LEU 46 N 0.50 1.14 -0.57 2.82 3.38 -1.18 -0.92 115.31 120.47 1qyz h LEU 46 Ca 0.22 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1qyz h LEU 46 Cb 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1qyz h LEU 46 CO -0.16 0.84 0.14 0.40 0.09 0.00 0.00 178.44 179.75 1qyz h ILE 47 N 1.33 1.25 -0.71 1.22 2.04 -1.18 -2.85 117.51 118.61 1qyz h ILE 47 Ca 0.35 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1qyz h ILE 47 Cb -0.12 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1qyz h ILE 47 CO -0.07 0.33 0.28 -0.07 0.00 0.00 0.00 178.15 178.62 1qyz h LEU 48 N 0.83 0.96 -0.66 1.44 3.38 -0.13 -0.51 115.31 120.60 1qyz h LEU 48 Ca 0.18 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1qyz h LEU 48 Cb 0.35 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1qyz h LEU 48 CO 0.00 0.85 0.43 0.58 0.09 0.00 0.00 178.44 180.40 1qyz h VAL 49 N 1.02 1.15 -0.15 1.22 2.07 -1.06 0.16 116.25 120.66 1qyz h VAL 49 Ca 0.24 -0.30 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 1qyz h VAL 49 Cb 0.19 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1qyz h VAL 49 CO -0.02 0.16 -0.62 -0.07 0.02 0.00 0.00 177.57 177.04 1qyz h LEU 50 N 0.87 0.61 -0.22 2.57 -0.00 -1.19 0.91 115.31 118.87 1qyz h LEU 50 Ca 0.25 -0.36 -0.21 0.00 -0.00 0.00 0.00 57.88 57.56 1qyz h LEU 50 Cb -0.07 -0.18 0.01 0.00 -0.00 0.00 0.00 40.66 40.42 1qyz h LEU 50 CO -0.07 1.09 -0.73 -0.07 -0.00 0.00 0.00 178.44 178.66 1qyz h LEU 51 N 0.40 0.89 -0.19 1.67 3.38 -0.82 0.23 115.31 120.87 1qyz h LEU 51 Ca -0.01 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1qyz h LEU 51 Cb 1.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1qyz h LEU 51 CO 0.12 1.35 0.00 -1.22 0.09 0.00 0.00 178.44 178.78 1qyz n TYR 52 N -3.94 0.00 -1.79 1.13 4.01 0.54 -3.84 117.16 113.27 1qyz n TYR 52 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1qyz n TYR 52 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 1qyz n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qyz n GLY 53 N 0.59 -2.32 3.45 2.72 0.00 0.31 -3.77 105.19 106.16 1qyz n GLY 53 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 1qyz n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qyz s LEU 54 N 0.00 -0.19 0.24 0.99 2.96 -0.67 -4.55 118.68 117.46 1qyz s LEU 54 Ca 0.00 0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 1qyz s LEU 54 Cb 0.00 2.10 -0.01 0.00 0.50 0.00 0.00 46.19 48.78 1qyz s LEU 54 CO 0.00 -0.46 0.43 0.00 -1.32 0.00 0.00 176.35 175.00 1qyz s GLN 55 N -0.81 1.49 0.00 1.98 -2.07 -1.25 -0.86 119.66 118.14 1qyz s GLN 55 Ca -0.09 -1.30 0.00 0.00 -1.82 0.00 0.00 55.36 52.16 1qyz s GLN 55 Cb -0.02 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1qyz s GLN 55 CO 0.06 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 173.84 1qyz n GLY 56 N -0.36 2.48 3.71 2.60 0.00 -1.23 -4.61 105.19 107.78 1qyz n GLY 56 Ca -0.01 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1qyz n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qyz s GLN 57 N -2.84 4.40 0.14 1.61 0.74 -1.26 -4.26 119.66 118.19 1qyz s GLN 57 Ca 0.00 1.82 0.01 0.00 0.05 0.00 0.00 55.36 57.24 1qyz s GLN 57 Cb 0.00 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1qyz s GLN 57 CO 0.00 -0.31 -0.01 0.96 -0.55 0.00 0.00 175.29 175.38 1qyz s ILE 58 N 1.20 0.58 -0.06 -2.34 -4.36 -0.25 -5.00 121.20 110.97 1qyz s ILE 58 Ca 0.60 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1qyz s ILE 58 Cb -0.30 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 1qyz s ILE 58 CO 0.29 -0.59 -0.22 -0.70 0.24 0.00 0.00 174.94 173.96 1qyz s GLU 59 N -3.91 2.60 -0.05 0.37 2.12 -1.15 -0.68 118.70 117.99 1qyz s GLU 59 Ca 0.20 -0.84 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 1qyz s GLU 59 Cb 0.06 -2.25 0.03 0.00 0.26 0.00 0.00 34.13 32.23 1qyz s GLU 59 CO 0.01 0.43 0.05 0.08 -0.54 0.00 0.00 175.26 175.29 1qyz s VAL 60 N -0.26 -0.02 -1.60 3.70 1.01 -0.43 -4.73 120.40 118.08 1qyz s VAL 60 Ca -0.00 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1qyz s VAL 60 Cb -0.13 -0.22 0.11 0.00 0.00 0.00 0.00 36.38 36.14 1qyz s VAL 60 CO 0.03 0.19 0.93 0.29 0.00 0.00 0.00 175.10 176.54 1qyz n LYS 61 N 5.24 -4.76 -0.87 2.72 4.76 -1.26 -1.62 118.16 122.37 1qyz n LYS 61 Ca -0.04 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1qyz n LYS 61 Cb 0.50 -5.37 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 1qyz n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qyz n GLY 62 N -1.59 1.15 3.79 0.72 0.00 -1.26 -5.02 105.19 102.97 1qyz n GLY 62 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1qyz n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qyz s MET 63 N -0.04 3.17 0.10 1.61 -1.94 -0.64 -5.10 119.30 116.47 1qyz s MET 63 Ca 0.00 -0.35 -0.26 0.00 -1.71 0.00 0.00 55.69 53.37 1qyz s MET 63 Cb 0.00 -2.95 -0.06 0.00 2.01 0.00 0.00 34.83 33.83 1qyz s MET 63 CO 0.00 0.70 0.81 0.15 -0.01 0.00 0.00 175.02 176.67 1qyz s LYS 64 N -1.30 4.57 0.05 2.03 1.02 -1.26 -1.31 119.74 123.54 1qyz s LYS 64 Ca 0.18 1.18 0.09 0.00 0.02 0.00 0.00 55.97 57.43 1qyz s LYS 64 Cb -0.12 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1qyz s LYS 64 CO 0.08 0.37 -0.24 0.71 -0.92 0.00 0.00 175.35 175.35 1qyz s TYR 65 N -0.43 2.12 -0.41 3.18 1.51 0.14 -4.64 117.35 118.82 1qyz s TYR 65 Ca 0.39 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1qyz s TYR 65 Cb -0.22 -1.25 0.31 0.00 -0.11 0.00 0.00 41.96 40.69 1qyz s TYR 65 CO 0.25 0.13 0.83 -1.71 -1.11 0.00 0.00 175.55 173.95 1qyz n ASN 66 N 1.71 -0.58 -1.26 2.29 5.15 -1.26 -1.09 115.26 120.21 1qyz n ASN 66 Ca -0.17 -3.20 0.00 0.00 -0.60 0.00 0.00 54.58 50.61 1qyz n ASN 66 Cb 0.53 0.38 0.00 0.00 -0.53 0.00 0.00 39.78 40.15 1qyz n ASN 66 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qyz n GLY 67 N 0.62 5.20 3.06 8.20 0.00 -1.26 -4.91 105.19 116.10 1qyz n GLY 67 Ca 0.17 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 1qyz n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qyz s VAL 68 N -0.10 0.90 -0.04 1.61 -7.23 -1.26 -3.49 120.40 110.79 1qyz s VAL 68 Ca 0.00 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 1qyz s VAL 68 Cb 0.00 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 1qyz s VAL 68 CO 0.00 0.24 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.52 1qyz s MET 69 N -0.31 1.80 0.69 4.82 0.00 -0.04 -4.99 119.30 121.27 1qyz s MET 69 Ca 0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 55.69 54.97 1qyz s MET 69 Cb -0.05 -1.59 0.00 0.00 0.00 0.00 0.00 34.83 33.19 1qyz s MET 69 CO -0.00 0.29 1.06 -1.12 0.00 0.00 0.00 175.02 175.25 1qyz s SER 70 N -0.09 5.43 0.54 1.11 0.01 -1.26 -1.67 113.70 117.76 1qyz s SER 70 Ca -0.01 1.62 -0.21 0.00 1.31 0.00 0.00 55.95 58.65 1qyz s SER 70 Cb -0.11 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1qyz s SER 70 CO 0.02 -1.41 1.28 -0.55 0.41 0.00 0.00 173.24 172.98 1qyz s SER 71 N -3.76 5.45 -0.24 2.44 0.15 -1.26 -4.15 113.70 112.33 1qyz s SER 71 Ca 0.58 2.57 0.10 0.00 0.70 0.00 0.00 55.95 59.91 1qyz s SER 71 Cb -0.14 -2.62 0.44 0.00 -1.71 0.00 0.00 66.02 61.99 1qyz s SER 71 CO 0.54 -1.43 1.20 0.49 1.20 0.00 0.00 173.24 175.25 1qyz n PHE 72 N -1.03 1.21 0.36 3.44 3.01 0.82 -4.85 117.46 120.42 1qyz n PHE 72 Ca 0.10 -1.79 0.07 0.00 1.01 0.00 0.00 57.45 56.85 1qyz n PHE 72 Cb 0.47 -0.28 0.32 0.00 -0.01 0.00 0.00 39.48 39.97 1qyz n PHE 72 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qyz n ALA 73 N -0.86 1.49 0.35 4.37 0.00 -1.23 -1.38 120.51 123.25 1qyz n ALA 73 Ca 0.29 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.87 1qyz n ALA 73 Cb 0.83 -1.23 0.57 0.00 0.00 0.00 0.00 19.45 19.62 1qyz n ALA 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1qyz h GLN 74 N 0.00 0.00 -6.85 0.00 -0.00 -1.92 -3.42 115.11 102.92 1qyz h GLN 74 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1qyz h GLN 74 Cb 0.21 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 27.72 1qyz h GLN 74 CO 0.00 0.00 0.50 -0.51 -0.00 0.00 0.00 178.83 178.82 1qyz s LEU 75 N -5.04 4.44 0.86 0.06 1.43 -0.48 -5.03 118.68 114.92 1qyz s LEU 75 Ca 0.03 2.32 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1qyz s LEU 75 Cb 0.09 -3.75 0.11 0.00 0.03 0.00 0.00 46.19 42.67 1qyz s LEU 75 CO 0.43 -0.31 1.11 -0.54 0.23 0.00 0.00 176.35 177.28 1qyz s LYS 76 N -1.73 1.54 0.24 1.70 1.02 -1.26 -4.72 119.74 116.53 1qyz s LYS 76 Ca 0.48 0.49 -0.05 0.00 0.02 0.00 0.00 55.97 56.91 1qyz s LYS 76 Cb -0.32 -1.87 0.42 0.00 -0.52 0.00 0.00 37.83 35.54 1qyz s LYS 76 CO 0.41 -1.96 1.77 -0.44 -0.92 0.00 0.00 175.35 174.20 1qyz h ASP 77 N -1.33 0.46 0.19 2.83 3.32 -1.94 0.64 116.42 120.59 1qyz h ASP 77 Ca -0.49 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 1qyz h ASP 77 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1qyz h ASP 77 CO 0.60 0.23 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.64 1qyz h GLU 78 N 0.59 0.26 -0.09 3.56 3.07 -1.92 -1.58 114.58 118.47 1qyz h GLU 78 Ca 0.40 -0.12 -0.23 0.00 -0.50 0.00 0.00 59.36 58.91 1qyz h GLU 78 Cb 0.49 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1qyz h GLU 78 CO -0.32 0.61 -0.84 0.93 -1.40 0.00 0.00 179.01 177.99 1qyz h GLU 79 N 0.22 0.66 -0.40 2.33 5.08 -1.47 -1.21 114.58 119.81 1qyz h GLU 79 Ca 0.02 -0.59 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1qyz h GLU 79 Cb 0.77 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1qyz h GLU 79 CO 0.06 1.20 0.10 0.82 -1.00 0.00 0.00 179.01 180.19 1qyz h ILE 80 N 0.43 1.23 -0.69 3.13 2.04 -0.78 -1.45 117.51 121.43 1qyz h ILE 80 Ca -0.07 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.08 1qyz h ILE 80 Cb 1.47 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1qyz h ILE 80 CO 0.16 0.27 0.36 0.00 0.00 0.00 0.00 178.15 178.94 1qyz h ALA 81 N 0.95 0.93 -0.42 1.87 0.00 -1.24 -1.85 119.26 119.50 1qyz h ALA 81 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1qyz h ALA 81 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qyz h ALA 81 CO 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 1qyz h ALA 82 N 1.39 0.57 -0.03 0.00 0.00 -0.90 -0.70 119.26 119.59 1qyz h ALA 82 Ca 0.32 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1qyz h ALA 82 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qyz h ALA 82 CO -0.23 0.36 -0.52 -0.39 0.00 0.00 0.00 179.25 178.46 1qyz h VAL 83 N 0.58 1.37 -0.42 0.00 -1.51 -1.04 -0.78 116.25 114.45 1qyz h VAL 83 Ca 0.12 -1.80 -0.14 0.00 -1.23 0.00 0.00 66.70 63.65 1qyz h VAL 83 Cb 0.49 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1qyz h VAL 83 CO 0.02 0.52 -0.28 -0.07 -1.23 0.00 0.00 177.57 176.54 1qyz h LEU 84 N 0.06 0.93 -1.15 4.19 3.38 -1.13 -1.56 115.31 120.01 1qyz h LEU 84 Ca -0.00 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1qyz h LEU 84 Cb 0.95 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1qyz h LEU 84 CO 0.07 1.14 0.06 0.78 0.09 0.00 0.00 178.44 180.58 1qyz h ASN 85 N 0.76 0.61 0.13 -0.43 2.35 -0.85 -0.81 115.58 117.34 1qyz h ASN 85 Ca 0.09 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1qyz h ASN 85 Cb 0.84 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1qyz h ASN 85 CO 0.07 0.64 -0.06 -0.74 -1.65 0.00 0.00 177.43 175.69 1qyz h HIS 86 N 0.63 -0.16 0.00 1.19 2.76 -0.67 -2.15 115.15 116.75 1qyz h HIS 86 Ca 0.14 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1qyz h HIS 86 Cb 0.31 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1qyz h HIS 86 CO 0.01 -0.06 -0.14 -0.84 -1.30 0.00 0.00 177.93 175.60 1qyz h ILE 87 N -0.22 0.37 0.00 6.26 3.07 -1.08 0.95 117.51 126.86 1qyz h ILE 87 Ca -0.02 -0.89 0.00 0.00 1.55 0.00 0.00 64.86 65.50 1qyz h ILE 87 Cb 0.17 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 1qyz h ILE 87 CO 0.03 0.14 0.00 0.00 -1.05 0.00 0.00 178.15 177.27 1qyz h ALA 88 N 1.86 1.00 0.00 0.16 0.00 -1.01 -3.40 119.26 117.86 1qyz h ALA 88 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qyz h ALA 88 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qyz h ALA 88 CO 0.02 0.00 -1.08 0.25 0.00 0.00 0.00 179.25 178.44 1qyz n THR 89 N -3.08 0.06 0.24 0.00 -2.24 -0.82 -0.45 114.28 107.99 1qyz n THR 89 Ca 0.04 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1qyz n THR 89 Cb 0.51 -0.54 0.60 0.00 -2.10 0.00 0.00 70.33 68.81 1qyz n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qyz h ALA 90 N 0.08 1.75 -0.04 6.98 0.00 -1.04 -2.69 119.26 124.29 1qyz h ALA 90 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qyz h ALA 90 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1qyz h ALA 90 CO 0.00 0.13 0.00 0.91 0.00 0.00 0.00 179.25 180.29 1qyz n TRP 91 N -4.30 0.13 -0.89 0.00 8.01 -1.26 -4.99 117.44 114.14 1qyz n TRP 91 Ca -0.03 -0.88 0.00 0.00 -1.31 0.00 0.00 57.50 55.28 1qyz n TRP 91 Cb 0.18 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 1qyz n TRP 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qyz n GLY 92 N -1.10 0.49 0.30 6.99 0.00 -1.01 -4.64 105.19 106.21 1qyz n GLY 92 Ca 0.14 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1qyz n GLY 92 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qyz h ASP 93 N 0.00 1.04 0.65 1.61 5.19 -1.78 -2.81 116.42 120.32 1qyz h ASP 93 Ca 0.00 -0.34 -0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1qyz h ASP 93 Cb 0.00 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.23 1qyz h ASP 93 CO 0.00 1.14 -0.02 0.00 -3.12 0.00 0.00 179.24 177.24 1qyz h ALA 94 N 0.95 1.02 0.00 3.45 0.00 -1.10 -1.28 119.26 122.31 1qyz h ALA 94 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qyz h ALA 94 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qyz h ALA 94 CO 0.05 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1qyz n LYS 95 N -3.13 0.08 0.00 0.00 5.02 -1.06 -1.72 118.16 117.34 1qyz n LYS 95 Ca -0.01 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1qyz n LYS 95 Cb 0.23 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1qyz n LYS 95 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qyz n LYS 96 N -1.82 0.09 -4.55 1.97 4.01 -0.48 -4.90 118.16 112.47 1qyz n LYS 96 Ca 0.02 -0.07 -0.33 0.00 -0.51 0.00 0.00 58.31 57.42 1qyz n LYS 96 Cb 0.17 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 33.04 1qyz n LYS 96 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1qyz s VAL 97 N -2.96 2.82 0.40 -0.18 -7.23 -0.70 -5.07 120.40 107.48 1qyz s VAL 97 Ca 0.10 -0.72 -0.26 0.00 -1.81 0.00 0.00 61.98 59.29 1qyz s VAL 97 Cb 0.17 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1qyz s VAL 97 CO 0.79 0.51 1.25 -0.54 -0.31 0.00 0.00 175.10 176.81 1qyz s LYS 98 N 0.73 4.02 -0.03 4.82 -0.14 -1.26 -3.22 119.74 124.66 1qyz s LYS 98 Ca -0.06 2.05 0.00 0.00 -1.36 0.00 0.00 55.97 56.60 1qyz s LYS 98 Cb -0.15 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1qyz s LYS 98 CO 0.01 -0.42 0.00 0.41 -0.76 0.00 0.00 175.35 174.60 1qyz n GLY 99 N 0.68 0.35 3.75 -3.33 0.00 -1.26 -4.99 105.19 100.39 1qyz n GLY 99 Ca 0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1qyz n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qyz s PHE 100 N -1.67 2.88 0.01 1.61 5.36 -1.20 -5.02 117.98 119.96 1qyz s PHE 100 Ca 0.00 0.92 0.07 0.00 -0.96 0.00 0.00 56.93 56.96 1qyz s PHE 100 Cb 0.00 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.72 1qyz s PHE 100 CO 0.00 -3.10 -0.21 0.15 -1.46 0.00 0.00 175.22 170.60 1qyz s LYS 101 N -0.50 1.58 0.57 10.12 1.02 -1.26 -5.12 119.74 126.15 1qyz s LYS 101 Ca 0.61 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 55.58 1qyz s LYS 101 Cb -0.45 -1.59 -0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1qyz s LYS 101 CO 0.46 0.43 0.96 -2.30 -0.92 0.00 0.00 175.35 173.98 1qyz n PRO 102 N 2.29 1.00 -2.03 -1.68 -0.02 -1.26 -4.94 135.00 128.36 1qyz n PRO 102 Ca -0.16 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 1qyz n PRO 102 Cb 0.53 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 1qyz n PRO 102 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1qyz s PHE 103 N -1.48 2.81 0.13 6.00 0.08 -1.26 -5.04 117.98 119.22 1qyz s PHE 103 Ca 0.73 1.38 0.08 0.00 0.12 0.00 0.00 56.93 59.24 1qyz s PHE 103 Cb -0.44 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.26 1qyz s PHE 103 CO 0.49 -2.18 -0.18 0.95 -0.10 0.00 0.00 175.22 174.21 1qyz s THR 104 N -1.23 1.63 0.37 0.64 -4.23 -1.26 -4.81 115.64 106.75 1qyz s THR 104 Ca 0.56 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1qyz s THR 104 Cb -0.39 -1.62 0.29 0.00 1.34 0.00 0.00 72.50 72.12 1qyz s THR 104 CO 0.51 -0.23 1.98 0.00 -0.54 0.00 0.00 174.62 176.34 1qyz h ALA 105 N 3.68 1.70 -0.17 3.99 0.00 -1.92 -1.79 119.26 124.75 1qyz h ALA 105 Ca -0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1qyz h ALA 105 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1qyz h ALA 105 CO 0.46 0.21 -0.23 0.93 0.00 0.00 0.00 179.25 180.62 1qyz h GLU 106 N 0.73 0.30 -0.82 0.00 4.39 -1.97 -0.46 114.58 116.75 1qyz h GLU 106 Ca 0.28 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1qyz h GLU 106 Cb 0.18 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1qyz h GLU 106 CO -0.08 0.52 0.47 0.93 -1.16 0.00 0.00 179.01 179.68 1qyz h GLU 107 N 0.27 1.13 -0.09 2.33 5.08 -1.75 -2.20 114.58 119.35 1qyz h GLU 107 Ca 0.04 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1qyz h GLU 107 Cb 0.56 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1qyz h GLU 107 CO 0.04 0.81 -0.61 0.28 -1.00 0.00 0.00 179.01 178.53 1qyz h VAL 108 N 1.15 1.35 -0.56 3.13 2.07 -1.30 -3.05 116.25 119.03 1qyz h VAL 108 Ca 0.29 -1.93 0.09 0.00 0.82 0.00 0.00 66.70 65.97 1qyz h VAL 108 Cb -0.00 2.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1qyz h VAL 108 CO -0.05 0.58 0.19 0.50 0.02 0.00 0.00 177.57 178.81 1qyz h LYS 109 N 0.19 0.35 -0.94 1.57 3.64 -0.96 -0.27 116.57 120.15 1qyz h LYS 109 Ca -0.05 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1qyz h LYS 109 Cb 1.27 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1qyz h LYS 109 CO 0.13 0.23 0.62 -0.22 -2.27 0.00 0.00 179.45 177.94 1qyz h LYS 110 N 0.36 1.19 0.00 1.90 3.64 -1.43 -2.77 116.57 119.47 1qyz h LYS 110 Ca 0.28 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1qyz h LYS 110 Cb 0.34 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1qyz h LYS 110 CO -0.30 0.79 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.19 1qyz h LEU 111 N 1.23 0.00 -1.50 5.20 3.38 -1.21 -3.06 115.31 119.35 1qyz h LEU 111 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qyz h LEU 111 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1qyz h LEU 111 CO -0.10 0.24 0.00 -0.09 0.09 0.00 0.00 178.44 178.58 1qyz h ARG 112 N 0.00 0.00 0.00 1.13 2.43 -0.79 -3.04 114.38 114.11 1qyz h ARG 112 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qyz h ARG 112 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1qyz h ARG 112 CO 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.49 1qyz n ALA 113 N -2.02 2.19 -3.67 2.80 0.00 -1.16 -4.25 120.51 114.41 1qyz n ALA 113 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1qyz n ALA 113 Cb 0.25 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 1qyz n ALA 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1qyz s LYS 114 N -2.90 0.88 0.22 0.00 2.20 -1.15 -5.13 119.74 113.87 1qyz s LYS 114 Ca 0.15 -1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 54.02 1qyz s LYS 114 Cb 0.17 -1.97 -0.09 0.00 -1.51 0.00 0.00 37.83 34.43 1qyz s LYS 114 CO 0.45 -1.09 1.32 0.21 -0.36 0.00 0.00 175.35 175.87 1qyz s LYS 115 N 1.07 4.38 0.23 4.03 2.20 -1.26 -5.01 119.74 125.38 1qyz s LYS 115 Ca 0.14 2.09 0.11 0.00 -0.36 0.00 0.00 55.97 57.96 1qyz s LYS 115 Cb -0.21 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1qyz s LYS 115 CO -0.12 -0.25 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.90 1qyz s LEU 116 N -0.37 2.50 0.48 5.43 1.43 -1.26 -5.16 118.68 121.73 1qyz s LEU 116 Ca 0.56 -0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1qyz s LEU 116 Cb -0.37 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1qyz s LEU 116 CO 0.40 0.07 0.79 0.42 0.23 0.00 0.00 176.35 178.26 1qyz s THR 117 N -2.07 4.90 0.42 5.49 -4.23 -1.26 -4.83 115.64 114.06 1qyz s THR 117 Ca 0.24 0.23 0.17 0.00 -1.18 0.00 0.00 61.69 61.15 1qyz s THR 117 Cb -0.06 -3.86 0.37 0.00 1.34 0.00 0.00 72.50 70.29 1qyz s THR 117 CO 0.12 -0.83 1.88 -0.65 -0.54 0.00 0.00 174.62 174.59 1qyz h PRO 118 N 0.29 0.40 -0.39 3.99 0.11 -1.80 -1.27 132.00 133.32 1qyz h PRO 118 Ca -0.47 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1qyz h PRO 118 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1qyz h PRO 118 CO 0.62 0.26 -0.25 0.37 -0.21 0.00 0.00 178.00 178.79 1qyz h GLN 119 N 0.41 0.80 -0.22 1.05 5.75 -1.91 -1.91 115.11 119.08 1qyz h GLN 119 Ca 0.44 -0.34 -0.08 0.00 -0.15 0.00 0.00 58.65 58.52 1qyz h GLN 119 Cb 1.07 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1qyz h GLN 119 CO -0.15 0.96 -0.20 1.96 -2.65 0.00 0.00 178.83 178.75 1qyz h GLN 120 N 0.69 0.39 -0.82 1.69 4.20 -1.67 -2.38 115.11 117.21 1qyz h GLN 120 Ca 0.09 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1qyz h GLN 120 Cb 0.77 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1qyz h GLN 120 CO 0.06 0.58 0.36 0.28 -0.67 0.00 0.00 178.83 179.44 1qyz h VAL 121 N 0.36 1.26 -0.69 -0.54 2.07 -0.81 -1.32 116.25 116.57 1qyz h VAL 121 Ca 0.06 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1qyz h VAL 121 Cb 0.56 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1qyz h VAL 121 CO 0.04 0.32 0.42 0.25 0.02 0.00 0.00 177.57 178.62 1qyz h LEU 122 N 1.18 0.67 -1.36 2.57 5.85 -1.00 -0.68 115.31 122.53 1qyz h LEU 122 Ca 0.28 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1qyz h LEU 122 Cb 0.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1qyz h LEU 122 CO -0.03 0.45 0.17 0.00 -0.34 0.00 0.00 178.44 178.69 1qyz h ALA 123 N 1.32 1.50 -0.40 1.25 0.00 -0.90 -1.23 119.26 120.80 1qyz h ALA 123 Ca 0.29 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1qyz h ALA 123 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1qyz h ALA 123 CO -0.13 0.39 -0.25 0.93 0.00 0.00 0.00 179.25 180.18 1qyz h GLU 124 N 0.60 0.82 -0.68 0.00 4.39 -0.35 -2.24 114.58 117.12 1qyz h GLU 124 Ca 0.15 -0.35 0.04 0.00 0.34 0.00 0.00 59.36 59.53 1qyz h GLU 124 Cb 0.12 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1qyz h GLU 124 CO -0.01 0.98 0.42 -0.09 -1.16 0.00 0.00 179.01 179.14 1qyz h ARG 125 N 0.71 0.78 -0.32 2.33 2.43 -0.05 -2.47 114.38 117.79 1qyz h ARG 125 Ca 0.09 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1qyz h ARG 125 Cb 0.78 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1qyz h ARG 125 CO 0.06 0.51 -0.01 0.87 -1.51 0.00 0.00 179.97 179.90 1qyz h LYS 126 N 0.80 0.49 0.00 0.20 1.57 -1.06 -1.74 116.57 116.83 1qyz h LYS 126 Ca 0.28 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1qyz h LYS 126 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qyz h LYS 126 CO -0.13 0.53 0.00 0.87 -0.57 0.00 0.00 179.45 180.15 1qyz h LYS 127 N 0.47 0.00 0.00 3.15 1.57 -0.93 -1.18 116.57 119.65 1qyz h LYS 127 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1qyz h LYS 127 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1qyz h LYS 127 CO 0.01 0.00 -0.18 1.28 -0.57 0.00 0.00 179.45 179.99 1qyz n LEU 128 N -2.48 0.39 0.00 2.94 4.77 -0.65 -4.91 117.00 117.05 1qyz n LEU 128 Ca 0.00 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1qyz n LEU 128 Cb 0.16 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1qyz n LEU 128 CO 0.18 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1qyz n GLY 129 N 1.43 0.76 3.81 -0.72 0.00 -0.45 -4.85 105.19 105.17 1qyz n GLY 129 Ca 0.06 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1qyz n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qyz s LEU 130 N 0.00 4.49 0.00 0.99 1.43 -1.24 -5.07 118.68 119.28 1qyz s LEU 130 Ca 0.00 1.36 0.25 0.00 -1.03 0.00 0.00 54.13 54.71 1qyz s LEU 130 Cb 0.00 -3.15 0.30 0.00 0.03 0.00 0.00 46.19 43.37 1qyz s LEU 130 CO 0.00 0.20 1.32 2.29 0.23 0.00 0.00 176.35 180.39