#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yzu n PRO 4 N 0.00 0.85 -3.98 -1.58 -0.04 -1.26 -4.84 135.00 124.16 2yzu n PRO 4 Ca 0.00 0.30 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 2yzu n PRO 4 Cb 0.00 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 2yzu n PRO 4 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2yzu s ILE 5 N -0.22 2.54 -0.11 0.52 -4.36 -0.15 -4.94 121.20 114.48 2yzu s ILE 5 Ca 0.75 -1.60 -0.11 0.00 -0.26 0.00 0.00 60.65 59.43 2yzu s ILE 5 Cb -0.93 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 39.74 2yzu s ILE 5 CO 0.53 -0.04 0.24 -0.70 0.24 0.00 0.00 174.94 175.21 2yzu s GLU 6 N -3.95 3.85 0.13 0.37 2.12 -1.26 0.41 118.70 120.36 2yzu s GLU 6 Ca 0.42 0.03 0.10 0.00 0.36 0.00 0.00 54.97 55.88 2yzu s GLU 6 Cb 0.01 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2yzu s GLU 6 CO 0.24 0.56 -0.23 0.14 -0.54 0.00 0.00 175.26 175.43 2yzu s VAL 7 N -0.49 1.99 0.37 3.70 -7.23 -0.34 -4.85 120.40 113.55 2yzu s VAL 7 Ca 0.16 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2yzu s VAL 7 Cb -0.13 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2yzu s VAL 7 CO 0.05 -0.04 0.12 0.42 -0.31 0.00 0.00 175.10 175.34 2yzu s THR 8 N -1.27 0.70 0.48 5.32 -4.23 -1.26 -4.52 115.64 110.86 2yzu s THR 8 Ca 0.12 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.77 2yzu s THR 8 Cb -0.09 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.55 2yzu s THR 8 CO 0.06 0.00 2.10 -0.78 -0.54 0.00 0.00 174.62 175.46 2yzu h ASP 9 N 1.94 0.16 -0.10 3.99 -0.00 -1.92 0.20 116.42 120.69 2yzu h ASP 9 Ca -0.36 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.45 2yzu h ASP 9 Cb 1.26 -0.04 0.01 0.00 -0.00 0.00 0.00 39.33 40.57 2yzu h ASP 9 CO 0.59 0.11 -0.79 -0.61 -0.00 0.00 0.00 179.24 178.54 2yzu h GLN 10 N 0.18 0.70 -0.16 0.28 5.75 -2.01 -3.36 115.11 116.49 2yzu h GLN 10 Ca 0.08 -0.63 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2yzu h GLN 10 Cb 0.11 0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2yzu h GLN 10 CO -0.02 1.23 0.00 0.27 -2.65 0.00 0.00 178.83 177.67 2yzu n ASN 11 N -3.99 2.47 0.02 -0.69 0.23 -1.02 -4.68 115.26 107.61 2yzu n ASN 11 Ca -0.09 -1.72 -0.11 0.00 -0.53 0.00 0.00 54.58 52.14 2yzu n ASN 11 Cb 0.75 -0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 38.31 2yzu n ASN 11 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2yzu h PHE 12 N 2.53 -0.77 -0.47 -2.53 3.57 -0.77 -1.07 116.94 117.43 2yzu h PHE 12 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2yzu h PHE 12 Cb 0.63 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2yzu h PHE 12 CO 0.10 -0.37 0.11 -0.44 -2.23 0.00 0.00 178.31 175.49 2yzu h ASP 13 N -0.38 0.72 -0.39 0.41 3.32 -1.83 -2.20 116.42 116.06 2yzu h ASP 13 Ca 0.09 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.94 2yzu h ASP 13 Cb 0.51 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 2yzu h ASP 13 CO -0.30 0.76 0.16 -0.33 -1.72 0.00 0.00 179.24 177.81 2yzu h GLU 14 N 0.64 0.32 -0.18 3.56 5.08 -1.80 -1.32 114.58 120.87 2yzu h GLU 14 Ca 0.15 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2yzu h GLU 14 Cb 0.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2yzu h GLU 14 CO 0.00 0.21 0.02 1.15 -1.00 0.00 0.00 179.01 179.39 2yzu h THR 15 N 0.33 0.90 0.00 1.13 2.02 -1.04 -1.74 112.91 114.50 2yzu h THR 15 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2yzu h THR 15 Cb 0.13 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2yzu h THR 15 CO -0.16 0.02 -0.14 -0.07 0.37 0.00 0.00 175.52 175.54 2yzu h LEU 16 N 0.08 0.00 0.00 2.58 3.38 -1.01 -2.42 115.31 117.92 2yzu h LEU 16 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2yzu h LEU 16 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2yzu h LEU 16 CO -0.13 0.14 -0.35 0.61 0.09 0.00 0.00 178.44 178.80 2yzu n GLY 17 N -0.98 -1.54 0.01 0.83 0.00 -0.53 -3.11 105.19 99.86 2yzu n GLY 17 Ca -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2yzu n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yzu n GLN 18 N -2.17 0.08 -4.72 1.61 1.13 -0.72 -4.92 117.38 107.68 2yzu n GLN 18 Ca 0.04 -0.01 -0.24 0.00 -1.94 0.00 0.00 57.00 54.85 2yzu n GLN 18 Cb 0.43 -1.52 -0.16 0.00 0.11 0.00 0.00 30.24 29.11 2yzu n GLN 18 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2yzu s HIS 19 N -3.06 1.47 0.32 1.08 3.76 -1.11 -5.05 115.29 112.70 2yzu s HIS 19 Ca 0.07 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 2yzu s HIS 19 Cb 0.16 -0.99 0.54 0.00 1.11 0.00 0.00 32.58 33.40 2yzu s HIS 19 CO 0.82 -0.11 1.82 -1.00 -0.85 0.00 0.00 174.74 175.42 2yzu h PRO 20 N 6.15 0.50 -3.09 8.40 0.13 -1.91 -3.39 132.00 138.78 2yzu h PRO 20 Ca -0.34 -0.13 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 2yzu h PRO 20 Cb 1.17 -0.06 -0.39 0.00 0.13 0.00 0.00 31.00 31.85 2yzu h PRO 20 CO 0.48 0.59 -0.72 -1.17 -0.23 0.00 0.00 178.00 176.96 2yzu s LEU 21 N -8.91 0.18 -0.08 1.56 2.96 -1.26 0.82 118.68 113.95 2yzu s LEU 21 Ca -0.07 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2yzu s LEU 21 Cb 0.15 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.77 2yzu s LEU 21 CO 0.77 -0.30 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.67 2yzu s VAL 22 N 2.19 1.35 -0.37 1.68 1.01 -0.28 -1.44 120.40 124.54 2yzu s VAL 22 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2yzu s VAL 22 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2yzu s VAL 22 CO -0.07 0.41 0.24 -0.22 0.00 0.00 0.00 175.10 175.46 2yzu s LEU 23 N 0.77 4.71 -0.23 3.92 2.96 0.65 -0.59 118.68 130.87 2yzu s LEU 23 Ca -0.12 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 52.99 2yzu s LEU 23 Cb -0.16 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2yzu s LEU 23 CO 0.02 -0.34 0.09 -0.69 -1.32 0.00 0.00 176.35 174.11 2yzu s VAL 24 N 1.66 4.65 -0.37 1.68 1.01 0.25 -0.47 120.40 128.80 2yzu s VAL 24 Ca 0.05 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 2yzu s VAL 24 Cb -0.18 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2yzu s VAL 24 CO 0.09 0.37 0.25 -0.62 0.00 0.00 0.00 175.10 175.18 2yzu s ASP 25 N 1.20 5.96 -0.36 3.32 2.15 0.11 -1.16 116.67 127.89 2yzu s ASP 25 Ca 0.05 -0.74 -0.24 0.00 0.43 0.00 0.00 52.55 52.06 2yzu s ASP 25 Cb -0.14 -2.11 0.01 0.00 -0.30 0.00 0.00 42.92 40.38 2yzu s ASP 25 CO 0.04 -0.35 0.81 -0.36 -0.17 0.00 0.00 175.17 175.14 2yzu s PHE 26 N 1.66 3.11 0.33 -5.34 0.08 -0.32 -0.09 117.98 117.41 2yzu s PHE 26 Ca 0.05 0.62 0.04 0.00 0.12 0.00 0.00 56.93 57.75 2yzu s PHE 26 Cb -0.18 -3.43 -0.01 0.00 -0.57 0.00 0.00 43.02 38.82 2yzu s PHE 26 CO 0.09 -0.74 0.36 -2.67 -0.10 0.00 0.00 175.22 172.16 2yzu n TRP 27 N 6.47 -1.04 -3.65 0.36 4.27 -0.54 -2.86 117.44 120.45 2yzu n TRP 27 Ca 0.04 -2.52 -0.15 0.00 -3.89 0.00 0.00 57.50 50.98 2yzu n TRP 27 Cb 0.48 0.39 -0.07 0.00 -1.36 0.00 0.00 31.31 30.75 2yzu n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2yzu s ALA 28 N -3.06 -1.20 0.24 -1.67 0.00 -1.26 -0.85 121.76 113.95 2yzu s ALA 28 Ca 0.34 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 2yzu s ALA 28 Cb 0.01 0.11 0.24 0.00 0.00 0.00 0.00 23.12 23.48 2yzu s ALA 28 CO 0.24 -0.35 1.88 0.93 0.00 0.00 0.00 175.76 178.46 2yzu h GLU 29 N 3.35 1.27 0.00 0.00 4.39 -2.01 -2.60 114.58 118.98 2yzu h GLU 29 Ca -0.29 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2yzu h GLU 29 Cb 1.17 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2yzu h GLU 29 CO 0.40 0.90 0.00 -2.67 -1.16 0.00 0.00 179.01 176.49 2yzu n TRP 30 N -4.34 0.00 -3.33 4.33 4.27 -1.26 -4.74 117.44 112.37 2yzu n TRP 30 Ca 0.10 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.28 2yzu n TRP 30 Cb 0.07 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.94 2yzu n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2yzu h ALA 32 N 8.73 -0.19 -0.73 0.00 0.00 -1.88 -2.30 119.26 122.88 2yzu h ALA 32 Ca -0.27 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.70 2yzu h ALA 32 Cb 1.11 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2yzu h ALA 32 CO 0.80 -0.57 0.48 -1.35 0.00 0.00 0.00 179.25 178.61 2yzu h PRO 33 N -0.27 0.47 -0.44 0.00 0.11 -1.93 -0.24 132.00 129.71 2yzu h PRO 33 Ca -0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2yzu h PRO 33 Cb 0.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2yzu h PRO 33 CO 0.03 0.31 0.21 0.00 -0.21 0.00 0.00 178.00 178.35 2yzu n ARG 35 N -4.66 0.00 0.00 0.00 1.74 -0.10 -2.35 116.66 111.28 2yzu n ARG 35 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2yzu n ARG 35 Cb 0.11 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2yzu n ARG 35 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2yzu n ILE 37 N 1.38 0.00 0.19 0.55 -5.35 -1.12 -4.32 119.36 110.68 2yzu n ILE 37 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 2yzu n ILE 37 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 2yzu n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yzu h ALA 38 N 0.00 -0.99 0.00 -1.28 0.00 -1.77 0.16 119.26 115.37 2yzu h ALA 38 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2yzu h ALA 38 Cb 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2yzu h ALA 38 CO 0.00 -1.11 -0.01 -1.00 0.00 0.00 0.00 179.25 177.13 2yzu h PRO 39 N -0.83 0.00 -0.42 0.00 0.13 -1.90 -1.01 132.00 127.97 2yzu h PRO 39 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 2yzu h PRO 39 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2yzu h PRO 39 CO -0.19 0.01 -0.23 0.82 -0.23 0.00 0.00 178.00 178.18 2yzu h ILE 40 N 0.00 1.27 0.00 -3.56 2.04 -1.60 -2.28 117.51 113.38 2yzu h ILE 40 Ca -0.00 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 2yzu h ILE 40 Cb 0.02 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2yzu h ILE 40 CO 0.00 0.46 -0.33 -0.07 0.00 0.00 0.00 178.15 178.22 2yzu h LEU 41 N 0.73 0.00 -0.48 1.44 3.38 0.51 -1.58 115.31 119.32 2yzu h LEU 41 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2yzu h LEU 41 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2yzu h LEU 41 CO 0.06 0.33 -0.47 -0.33 0.09 0.00 0.00 178.44 178.12 2yzu h GLU 42 N 0.00 0.72 -0.49 1.13 5.08 -0.95 0.48 114.58 120.55 2yzu h GLU 42 Ca -0.00 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.83 2yzu h GLU 42 Cb 0.84 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2yzu h GLU 42 CO 0.04 1.03 -0.15 0.93 -1.00 0.00 0.00 179.01 179.86 2yzu h GLU 43 N 0.57 0.94 -0.78 2.33 5.08 -1.08 -2.41 114.58 119.23 2yzu h GLU 43 Ca 0.03 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 2yzu h GLU 43 Cb 1.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2yzu h GLU 43 CO 0.10 1.02 0.34 0.82 -1.00 0.00 0.00 179.01 180.28 2yzu h ILE 44 N 0.83 1.25 -0.32 3.13 1.08 -1.00 -1.17 117.51 121.30 2yzu h ILE 44 Ca 0.12 -0.76 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2yzu h ILE 44 Cb 0.70 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 2yzu h ILE 44 CO 0.05 0.32 0.19 0.00 -0.69 0.00 0.00 178.15 178.02 2yzu h ALA 45 N 1.17 0.40 -0.11 1.87 0.00 -0.56 -2.30 119.26 119.75 2yzu h ALA 45 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2yzu h ALA 45 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2yzu h ALA 45 CO -0.03 -0.17 -0.07 0.87 0.00 0.00 0.00 179.25 179.86 2yzu h LYS 46 N 0.39 0.24 -0.58 0.00 1.57 -1.25 -0.40 116.57 116.54 2yzu h LYS 46 Ca 0.13 -0.11 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2yzu h LYS 46 Cb -0.01 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2yzu h LYS 46 CO -0.06 0.60 0.40 1.49 -0.57 0.00 0.00 179.45 181.32 2yzu h GLU 47 N -0.13 0.19 -0.26 3.15 4.81 -1.13 -1.51 114.58 119.69 2yzu h GLU 47 Ca 0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2yzu h GLU 47 Cb 0.54 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2yzu h GLU 47 CO 0.02 0.12 0.00 0.66 -0.73 0.00 0.00 179.01 179.08 2yzu n TYR 48 N -4.43 0.60 -1.64 0.92 4.01 -0.87 -5.02 117.16 110.73 2yzu n TYR 48 Ca 0.10 -0.69 -0.52 0.00 -0.16 0.00 0.00 57.90 56.63 2yzu n TYR 48 Cb 0.52 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 2yzu n TYR 48 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2yzu n GLU 49 N -0.12 1.36 0.00 -0.72 2.13 -0.16 -0.93 120.64 122.20 2yzu n GLU 49 Ca 0.15 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2yzu n GLU 49 Cb 0.62 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2yzu n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yzu n GLY 50 N 3.22 2.73 0.02 8.31 0.00 -1.26 -4.77 105.19 113.44 2yzu n GLY 50 Ca 0.21 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.61 2yzu n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yzu n LYS 51 N 0.00 3.82 -3.82 1.61 4.01 -0.11 -5.02 118.16 118.64 2yzu n LYS 51 Ca 0.00 -0.06 -0.12 0.00 -0.51 0.00 0.00 58.31 57.62 2yzu n LYS 51 Cb 0.00 -0.94 -0.11 0.00 -0.51 0.00 0.00 35.03 33.47 2yzu n LYS 51 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2yzu s LEU 52 N -2.34 1.31 -0.12 -0.35 2.96 -0.60 -4.42 118.68 115.12 2yzu s LEU 52 Ca 0.04 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 2yzu s LEU 52 Cb 0.07 0.75 -0.01 0.00 0.50 0.00 0.00 46.19 47.50 2yzu s LEU 52 CO 0.36 -0.22 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.77 2yzu s LEU 53 N -0.59 2.44 -0.20 -0.68 2.96 -0.52 -4.55 118.68 117.53 2yzu s LEU 53 Ca -0.07 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2yzu s LEU 53 Cb -0.04 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2yzu s LEU 53 CO 0.01 0.17 0.08 -0.69 -1.32 0.00 0.00 176.35 174.59 2yzu s VAL 54 N 0.33 4.76 0.06 1.68 1.01 -1.26 -0.25 120.40 126.73 2yzu s VAL 54 Ca -0.14 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 61.86 2yzu s VAL 54 Cb -0.17 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2yzu s VAL 54 CO 0.07 0.42 -0.16 0.00 0.00 0.00 0.00 175.10 175.43 2yzu s ALA 55 N 0.73 1.33 -0.09 5.51 0.00 0.38 -0.97 121.76 128.65 2yzu s ALA 55 Ca 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2yzu s ALA 55 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2yzu s ALA 55 CO 0.02 0.24 -0.19 0.15 0.00 0.00 0.00 175.76 175.98 2yzu s LYS 56 N -1.46 2.95 -0.28 0.00 1.02 0.17 0.04 119.74 122.16 2yzu s LYS 56 Ca 0.02 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2yzu s LYS 56 Cb -0.09 -2.40 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 2yzu s LYS 56 CO 0.02 0.32 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.57 2yzu s LEU 57 N 0.03 3.62 -0.34 3.17 1.98 0.87 -1.20 118.68 126.81 2yzu s LEU 57 Ca -0.07 -1.61 -0.29 0.00 -2.89 0.00 0.00 54.13 49.27 2yzu s LEU 57 Cb -0.15 -1.46 0.00 0.00 0.66 0.00 0.00 46.19 45.24 2yzu s LEU 57 CO 0.05 -0.27 1.39 -0.62 -1.89 0.00 0.00 176.35 175.01 2yzu s ASP 58 N 1.13 6.48 0.54 3.68 -1.08 -1.26 -1.46 116.67 124.69 2yzu s ASP 58 Ca -0.01 1.08 0.29 0.00 -0.52 0.00 0.00 52.55 53.39 2yzu s ASP 58 Cb -0.19 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.27 2yzu s ASP 58 CO -0.07 -1.27 2.10 -0.37 0.52 0.00 0.00 175.17 176.08 2yzu h VAL 59 N 6.22 0.51 -0.19 1.11 -1.51 -1.28 -1.28 116.25 119.82 2yzu h VAL 59 Ca -0.28 -0.44 -0.20 0.00 -1.23 0.00 0.00 66.70 64.55 2yzu h VAL 59 Cb 1.11 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2yzu h VAL 59 CO 1.05 0.09 -0.68 0.44 -1.23 0.00 0.00 177.57 177.25 2yzu h ASP 60 N 0.00 0.86 1.30 4.19 3.32 -1.91 -2.89 116.42 121.29 2yzu h ASP 60 Ca -0.00 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2yzu h ASP 60 Cb 0.29 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2yzu h ASP 60 CO 0.01 1.31 -0.67 -0.08 -1.72 0.00 0.00 179.24 178.09 2yzu h GLU 61 N 0.54 0.00 -2.17 3.56 4.57 -1.90 -3.39 114.58 115.79 2yzu h GLU 61 Ca -0.02 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.61 2yzu h GLU 61 Cb 1.29 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.46 2yzu h GLU 61 CO 0.14 0.00 -0.86 0.09 -1.18 0.00 0.00 179.01 177.20 2yzu n ASN 62 N -2.77 3.01 0.11 1.04 3.02 -0.50 -4.93 115.26 114.24 2yzu n ASN 62 Ca 0.01 -3.40 0.06 0.00 -0.03 0.00 0.00 54.58 51.22 2yzu n ASN 62 Cb 0.54 -0.59 0.52 0.00 -0.61 0.00 0.00 39.78 39.64 2yzu n ASN 62 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2yzu h PRO 63 N 3.06 0.30 0.00 3.52 0.13 -1.71 -2.22 132.00 135.07 2yzu h PRO 63 Ca 0.12 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 2yzu h PRO 63 Cb 0.69 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2yzu h PRO 63 CO 0.69 0.20 -0.43 0.87 -0.23 0.00 0.00 178.00 179.11 2yzu h LYS 64 N 0.31 0.00 0.01 0.86 1.57 -1.91 -2.92 116.57 114.49 2yzu h LYS 64 Ca 0.08 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.64 2yzu h LYS 64 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2yzu h LYS 64 CO -0.02 0.43 -0.96 1.15 -0.57 0.00 0.00 179.45 179.48 2yzu h THR 65 N 0.00 1.42 0.00 -0.16 2.02 -1.80 0.38 112.91 114.76 2yzu h THR 65 Ca -0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 2yzu h THR 65 Cb 0.85 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2yzu h THR 65 CO 0.06 0.75 0.00 0.00 0.37 0.00 0.00 175.52 176.69 2yzu n ALA 66 N -2.53 1.86 0.00 6.16 0.00 -1.05 -2.86 120.51 122.09 2yzu n ALA 66 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2yzu n ALA 66 Cb 0.85 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2yzu n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2yzu n ARG 68 N 0.52 0.00 -0.36 0.00 0.63 0.12 -0.40 116.66 117.17 2yzu n ARG 68 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 2yzu n ARG 68 Cb 0.18 -0.01 0.31 0.00 0.45 0.00 0.00 32.46 33.39 2yzu n ARG 68 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2yzu n TYR 69 N 0.00 0.94 -3.89 -0.14 4.01 -1.14 -4.96 117.16 111.98 2yzu n TYR 69 Ca 0.00 -0.48 -0.26 0.00 -0.16 0.00 0.00 57.90 57.00 2yzu n TYR 69 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2yzu n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2yzu n ARG 70 N 1.62 -4.16 -3.31 -0.72 1.74 0.01 -5.16 116.66 106.68 2yzu n ARG 70 Ca 0.24 0.50 -0.35 0.00 -0.77 0.00 0.00 57.85 57.47 2yzu n ARG 70 Cb 0.62 -4.95 -0.06 0.00 -1.02 0.00 0.00 32.46 27.05 2yzu n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2yzu s VAL 71 N -3.69 4.81 0.00 1.55 1.01 0.47 -5.14 120.40 119.40 2yzu s VAL 71 Ca 0.18 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2yzu s VAL 71 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2yzu s VAL 71 CO 0.86 0.18 0.00 -1.54 0.00 0.00 0.00 175.10 174.60 2yzu n SER 73 N 0.63 0.00 -4.39 3.32 3.41 -1.26 -4.89 113.62 110.45 2yzu n SER 73 Ca -0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.34 2yzu n SER 73 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2yzu n SER 73 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2yzu s ILE 74 N 0.00 2.09 0.39 -1.33 -4.36 -1.26 -4.08 121.20 112.65 2yzu s ILE 74 Ca 0.00 -2.14 -0.24 0.00 -0.26 0.00 0.00 60.65 58.01 2yzu s ILE 74 Cb 0.00 -2.07 -0.09 0.00 1.25 0.00 0.00 42.46 41.55 2yzu s ILE 74 CO 0.00 -0.36 1.06 -2.16 0.24 0.00 0.00 174.94 173.73 2yzu s PRO 75 N -3.14 4.18 -0.07 0.37 0.04 -1.26 -4.85 135.00 130.28 2yzu s PRO 75 Ca 0.22 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2yzu s PRO 75 Cb -0.05 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.92 2yzu s PRO 75 CO 0.10 -0.13 -0.04 0.99 0.04 0.00 0.00 177.00 177.95 2yzu s THR 76 N -1.60 0.61 -0.13 1.26 2.01 -1.13 0.16 115.64 116.83 2yzu s THR 76 Ca 0.57 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 2yzu s THR 76 Cb -0.23 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2yzu s THR 76 CO 0.29 0.27 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 2yzu s VAL 77 N 1.35 3.19 -0.09 3.82 1.01 0.34 -1.17 120.40 128.84 2yzu s VAL 77 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2yzu s VAL 77 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2yzu s VAL 77 CO -0.03 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 174.75 2yzu s ILE 78 N 0.26 1.86 -0.20 2.22 1.01 -0.31 -0.30 121.20 125.75 2yzu s ILE 78 Ca -0.08 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 2yzu s ILE 78 Cb -0.15 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 2yzu s ILE 78 CO 0.05 0.52 0.13 -0.22 0.00 0.00 0.00 174.94 175.42 2yzu s LEU 79 N 0.39 4.20 -0.10 2.97 2.96 -0.20 -0.59 118.68 128.30 2yzu s LEU 79 Ca -0.17 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2yzu s LEU 79 Cb -0.17 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 2yzu s LEU 79 CO 0.08 0.17 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.76 2yzu s PHE 80 N 0.40 2.71 -0.19 5.38 0.08 0.24 -0.16 117.98 126.44 2yzu s PHE 80 Ca 0.08 -0.62 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 2yzu s PHE 80 Cb -0.11 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2yzu s PHE 80 CO -0.02 -0.17 -0.12 0.21 -0.10 0.00 0.00 175.22 175.03 2yzu s LYS 81 N 0.08 3.22 -1.44 0.44 2.20 0.20 -1.12 119.74 123.32 2yzu s LYS 81 Ca -0.07 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 2yzu s LYS 81 Cb -0.15 -2.76 0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2yzu s LYS 81 CO 0.05 -0.12 0.62 -0.25 -0.36 0.00 0.00 175.35 175.29 2yzu n ASP 82 N 4.47 -1.58 0.00 1.43 8.00 0.24 -1.21 116.55 127.90 2yzu n ASP 82 Ca -0.19 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2yzu n ASP 82 Cb 0.51 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 2yzu n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yzu n GLY 83 N -1.76 1.95 3.59 0.44 0.00 -1.18 -4.99 105.19 103.23 2yzu n GLY 83 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2yzu n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yzu s GLN 84 N -0.05 3.12 0.18 1.61 -0.21 -0.35 -4.95 119.66 119.01 2yzu s GLN 84 Ca 0.00 -0.49 -0.31 0.00 0.02 0.00 0.00 55.36 54.58 2yzu s GLN 84 Cb 0.00 -2.76 -0.09 0.00 1.00 0.00 0.00 33.01 31.16 2yzu s GLN 84 CO 0.00 0.54 1.41 -1.25 -2.12 0.00 0.00 175.29 173.87 2yzu s PRO 85 N -0.46 4.31 0.00 2.91 0.04 -1.26 0.61 135.00 141.14 2yzu s PRO 85 Ca 0.07 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2yzu s PRO 85 Cb -0.12 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2yzu s PRO 85 CO 0.02 -0.41 0.00 1.33 0.04 0.00 0.00 177.00 177.99 2yzu n VAL 86 N 3.15 0.00 -3.82 -0.36 0.24 0.77 -4.87 118.33 113.45 2yzu n VAL 86 Ca 0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.27 2yzu n VAL 86 Cb 0.41 0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.91 2yzu n VAL 86 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2yzu s GLU 87 N -1.41 0.53 -0.02 7.34 0.41 -1.16 -5.00 118.70 119.38 2yzu s GLU 87 Ca 0.00 -0.24 0.02 0.00 -0.41 0.00 0.00 54.97 54.34 2yzu s GLU 87 Cb 0.00 0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.58 2yzu s GLU 87 CO 0.00 -0.13 -0.08 0.08 -0.49 0.00 0.00 175.26 174.64 2yzu s VAL 88 N -1.19 0.68 -0.21 2.63 1.01 -1.26 -1.04 120.40 121.02 2yzu s VAL 88 Ca -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2yzu s VAL 88 Cb -0.06 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.76 2yzu s VAL 88 CO 0.02 0.22 -0.06 -0.76 0.00 0.00 0.00 175.10 174.52 2yzu s LEU 89 N 0.23 2.23 -0.15 3.92 1.02 0.59 -4.99 118.68 121.54 2yzu s LEU 89 Ca -0.03 -0.99 -0.13 0.00 0.02 0.00 0.00 54.13 52.99 2yzu s LEU 89 Cb -0.08 -1.10 -0.05 0.00 0.02 0.00 0.00 46.19 44.98 2yzu s LEU 89 CO 0.00 -0.21 0.29 -0.69 0.02 0.00 0.00 176.35 175.76 2yzu s VAL 90 N 1.47 5.30 0.00 -1.59 1.01 -1.26 -0.50 120.40 124.82 2yzu s VAL 90 Ca -0.03 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2yzu s VAL 90 Cb -0.17 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2yzu s VAL 90 CO -0.07 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2yzu n GLY 91 N 3.18 -0.94 3.66 4.51 0.00 0.12 -4.86 105.19 110.87 2yzu n GLY 91 Ca -0.13 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2yzu n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yzu s ALA 92 N -2.26 3.64 0.17 4.61 0.00 -1.26 -4.83 121.76 121.83 2yzu s ALA 92 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.57 2yzu s ALA 92 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2yzu s ALA 92 CO 0.00 -1.17 -0.13 -0.65 0.00 0.00 0.00 175.76 173.81 2yzu s GLN 93 N 3.45 1.20 0.65 0.00 -0.21 -1.26 -5.09 119.66 118.40 2yzu s GLN 93 Ca 0.57 -1.49 -0.16 0.00 0.02 0.00 0.00 55.36 54.30 2yzu s GLN 93 Cb -0.24 -0.94 -0.00 0.00 1.00 0.00 0.00 33.01 32.83 2yzu s GLN 93 CO 0.17 0.15 1.17 -1.25 -2.12 0.00 0.00 175.29 173.41 2yzu s PRO 94 N -3.52 2.70 0.34 2.91 0.04 -1.26 -4.91 135.00 131.31 2yzu s PRO 94 Ca 0.18 1.64 0.11 0.00 0.04 0.00 0.00 61.00 62.98 2yzu s PRO 94 Cb -0.00 -1.91 0.90 0.00 0.04 0.00 0.00 34.50 33.52 2yzu s PRO 94 CO 0.04 -1.38 1.77 -0.22 0.04 0.00 0.00 177.00 177.26 2yzu h LYS 95 N 0.28 0.58 -0.51 4.56 3.64 -2.00 -1.64 116.57 121.47 2yzu h LYS 95 Ca -0.48 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 2yzu h LYS 95 Cb 1.28 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2yzu h LYS 95 CO 0.53 0.38 0.34 0.07 -2.27 0.00 0.00 179.45 178.51 2yzu h ARG 96 N 0.59 0.27 -0.28 1.90 0.11 -1.99 -1.04 114.38 113.94 2yzu h ARG 96 Ca 0.59 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 60.54 2yzu h ARG 96 Cb 1.16 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 2yzu h ARG 96 CO -0.36 0.18 -0.28 -0.91 0.10 0.00 0.00 179.97 178.69 2yzu h ASN 97 N 0.28 0.58 -0.14 0.08 2.35 -1.65 -0.97 115.58 116.11 2yzu h ASN 97 Ca 0.23 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 2yzu h ASN 97 Cb 0.55 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.77 2yzu h ASN 97 CO -0.05 0.84 -0.61 1.88 -1.65 0.00 0.00 177.43 177.84 2yzu h TYR 98 N 0.49 0.88 -0.54 1.19 0.05 -1.37 -3.01 116.97 114.66 2yzu h TYR 98 Ca 0.06 -0.38 0.02 0.00 0.05 0.00 0.00 58.73 58.49 2yzu h TYR 98 Cb 0.74 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 2yzu h TYR 98 CO 0.03 1.19 0.33 1.96 -1.05 0.00 0.00 178.16 180.61 2yzu h GLN 99 N 0.33 0.63 0.01 4.88 4.20 -1.07 0.05 115.11 124.13 2yzu h GLN 99 Ca -0.04 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.66 2yzu h GLN 99 Cb 1.25 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 2yzu h GLN 99 CO 0.13 0.42 -0.27 0.00 -0.67 0.00 0.00 178.83 178.44 2yzu h ALA 100 N 1.24 -0.37 0.00 3.87 0.00 -1.18 -0.80 119.26 122.01 2yzu h ALA 100 Ca 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2yzu h ALA 100 Cb 0.01 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2yzu h ALA 100 CO -0.09 -0.77 -0.25 0.87 0.00 0.00 0.00 179.25 179.00 2yzu h LYS 101 N -0.41 0.00 0.07 0.00 1.57 -1.36 -2.41 116.57 114.02 2yzu h LYS 101 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2yzu h LYS 101 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2yzu h LYS 101 CO -0.22 0.25 -0.03 0.82 -0.57 0.00 0.00 179.45 179.69 2yzu h ILE 102 N 0.00 1.18 0.00 1.86 2.04 -0.52 -3.22 117.51 118.85 2yzu h ILE 102 Ca -0.00 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2yzu h ILE 102 Cb 0.71 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2yzu h ILE 102 CO 0.03 0.33 0.00 -0.33 0.00 0.00 0.00 178.15 178.19 2yzu h GLU 103 N -0.83 0.00 0.00 2.37 5.08 -1.19 -0.55 114.58 119.46 2yzu h GLU 103 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2yzu h GLU 103 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2yzu h GLU 103 CO 0.02 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.20 2yzu n LYS 104 N -2.91 0.09 -0.30 2.33 4.81 -0.91 -1.27 118.16 120.00 2yzu n LYS 104 Ca -0.01 0.45 0.05 0.00 -0.87 0.00 0.00 58.31 57.93 2yzu n LYS 104 Cb 0.16 -1.72 0.07 0.00 0.02 0.00 0.00 35.03 33.57 2yzu n LYS 104 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2yzu n HIS 105 N -1.89 0.00 -0.82 5.64 8.25 -0.23 -5.10 115.22 121.07 2yzu n HIS 105 Ca 0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2yzu n HIS 105 Cb 0.12 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2yzu n HIS 105 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26