#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5h s THR 3 N 0.00 2.06 0.25 12.58 -4.23 -1.26 -4.19 115.64 120.85 1y5h s THR 3 Ca 0.00 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 1y5h s THR 3 Cb 0.00 -2.91 0.24 0.00 1.34 0.00 0.00 72.50 71.16 1y5h s THR 3 CO 0.00 -0.05 1.87 0.00 -0.54 0.00 0.00 174.62 175.90 1y5h h ALA 4 N 1.83 1.25 -0.26 3.99 0.00 -1.09 -1.27 119.26 123.71 1y5h h ALA 4 Ca -0.44 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1y5h h ALA 4 Cb 1.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1y5h h ALA 4 CO 0.78 0.39 0.18 -0.09 0.00 0.00 0.00 179.25 180.51 1y5h h ARG 5 N 1.10 0.24 -0.04 0.00 2.43 -1.63 -2.44 114.38 114.04 1y5h h ARG 5 Ca 0.39 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1y5h h ARG 5 Cb 0.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1y5h h ARG 5 CO -0.15 0.16 -0.51 -0.44 -1.51 0.00 0.00 179.97 177.51 1y5h h ASP 6 N 0.25 0.10 -2.29 -3.80 3.45 -1.51 -3.48 116.42 109.13 1y5h h ASP 6 Ca 0.11 -0.05 -0.63 0.00 0.43 0.00 0.00 57.03 56.89 1y5h h ASP 6 Cb 0.13 -0.03 -0.39 0.00 -0.56 0.00 0.00 39.33 38.47 1y5h h ASP 6 CO -0.02 0.60 -0.35 2.30 -1.57 0.00 0.00 179.24 180.20 1y5h n ILE 7 N -3.93 3.46 -3.88 0.35 -5.35 -0.92 -5.01 119.36 104.08 1y5h n ILE 7 Ca -0.02 -5.59 -0.30 0.00 -0.27 0.00 0.00 62.75 56.57 1y5h n ILE 7 Cb 0.54 -1.58 -0.15 0.00 -1.74 0.00 0.00 39.64 36.71 1y5h n ILE 7 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1y5h s ASN 9 N -2.94 4.18 0.43 7.28 0.01 0.02 -4.88 114.94 119.04 1y5h s ASN 9 Ca 0.45 -1.64 -0.10 0.00 -0.71 0.00 0.00 52.86 50.86 1y5h s ASN 9 Cb 0.23 -1.19 -0.06 0.00 0.41 0.00 0.00 41.25 40.65 1y5h s ASN 9 CO -0.11 -0.35 0.79 0.00 -1.51 0.00 0.00 177.10 175.93 1y5h s ALA 10 N 1.34 3.34 -0.15 0.60 0.00 -1.26 -2.03 121.76 123.59 1y5h s ALA 10 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1y5h s ALA 10 Cb -0.18 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1y5h s ALA 10 CO -0.14 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1y5h n GLY 11 N -1.55 0.50 3.78 0.00 0.00 -1.22 -5.00 105.19 101.71 1y5h n GLY 11 Ca 0.02 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1y5h n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y5h s VAL 12 N -2.04 3.97 0.10 1.61 -7.23 -1.26 -5.01 120.40 110.54 1y5h s VAL 12 Ca 0.00 1.54 -0.27 0.00 -1.81 0.00 0.00 61.98 61.44 1y5h s VAL 12 Cb 0.00 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 33.06 1y5h s VAL 12 CO 0.00 0.04 0.84 -0.89 -0.31 0.00 0.00 175.10 174.78 1y5h s THR 13 N -1.67 4.55 -0.15 5.32 2.01 -1.26 -4.89 115.64 119.55 1y5h s THR 13 Ca 0.55 1.82 -0.17 0.00 0.31 0.00 0.00 61.69 64.20 1y5h s THR 13 Cb -0.20 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1y5h s THR 13 CO 0.25 0.39 0.41 0.00 -0.69 0.00 0.00 174.62 174.98 1y5h s VAL 15 N 0.71 3.76 0.37 0.00 1.01 -0.53 -4.75 120.40 120.96 1y5h s VAL 15 Ca 0.22 1.60 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 1y5h s VAL 15 Cb -0.14 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.12 1y5h s VAL 15 CO 0.08 0.31 1.32 -0.83 0.00 0.00 0.00 175.10 175.98 1y5h s GLY 16 N -0.40 2.96 0.58 4.51 0.00 -1.26 -0.95 107.32 112.76 1y5h s GLY 16 Ca 0.47 1.27 0.30 0.00 0.00 0.00 0.00 44.72 46.77 1y5h s GLY 16 CO 0.37 1.89 2.22 1.05 0.00 0.00 0.00 173.10 178.63 1y5h h GLU 17 N 3.04 0.00 -0.01 2.90 4.11 -1.33 -2.06 114.58 121.23 1y5h h GLU 17 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1y5h h GLU 17 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1y5h h GLU 17 CO 0.64 0.03 -0.07 0.72 0.07 0.00 0.00 179.01 180.40 1y5h n HIS 18 N -3.73 0.00 -2.32 2.06 8.25 -1.26 -1.06 115.22 117.16 1y5h n HIS 18 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1y5h n HIS 18 Cb 0.12 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1y5h n HIS 18 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1y5h s GLU 19 N -2.13 3.79 0.84 -0.41 2.02 -0.77 -4.80 118.70 117.23 1y5h s GLU 19 Ca 0.33 1.70 -0.12 0.00 0.02 0.00 0.00 54.97 56.91 1y5h s GLU 19 Cb 0.20 -2.38 0.09 0.00 0.10 0.00 0.00 34.13 32.15 1y5h s GLU 19 CO 0.38 -0.50 1.10 0.95 0.02 0.00 0.00 175.26 177.21 1y5h s THR 20 N -1.60 2.86 0.31 3.63 -4.23 -1.26 -0.45 115.64 114.89 1y5h s THR 20 Ca 0.64 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.49 1y5h s THR 20 Cb -0.26 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.71 1y5h s THR 20 CO 0.32 -0.36 1.75 -0.07 -0.54 0.00 0.00 174.62 175.72 1y5h h LEU 21 N -1.27 0.29 -0.64 4.79 3.38 -0.67 -1.41 115.31 119.77 1y5h h LEU 21 Ca -0.48 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 1y5h h LEU 21 Cb 1.28 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1y5h h LEU 21 CO 0.58 0.60 0.23 0.74 0.09 0.00 0.00 178.44 180.68 1y5h h THR 22 N 0.25 1.24 -0.64 0.22 2.02 -1.53 -0.35 112.91 114.12 1y5h h THR 22 Ca 0.03 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 1y5h h THR 22 Cb 0.69 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1y5h h THR 22 CO 0.05 0.30 0.18 0.00 0.37 0.00 0.00 175.52 176.43 1y5h h ALA 23 N 1.09 0.84 -0.62 6.16 0.00 -1.72 -2.34 119.26 122.67 1y5h h ALA 23 Ca 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1y5h h ALA 23 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1y5h h ALA 23 CO -0.01 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.03 1y5h h ALA 24 N 1.07 1.31 -0.71 0.00 0.00 -0.86 -2.05 119.26 118.02 1y5h h ALA 24 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1y5h h ALA 24 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1y5h h ALA 24 CO -0.00 0.52 0.28 0.00 0.00 0.00 0.00 179.25 180.05 1y5h h ALA 25 N 1.42 1.17 -0.64 0.00 0.00 -0.67 -2.33 119.26 118.20 1y5h h ALA 25 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1y5h h ALA 25 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1y5h h ALA 25 CO -0.02 0.60 0.22 1.96 0.00 0.00 0.00 179.25 182.00 1y5h h GLN 26 N 1.02 0.97 -1.67 0.00 4.20 -0.86 -2.37 115.11 116.40 1y5h h GLN 26 Ca 0.24 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1y5h h GLN 26 Cb 0.19 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1y5h h GLN 26 CO -0.02 0.82 0.00 0.66 -0.67 0.00 0.00 178.83 179.62 1y5h n TYR 27 N -4.28 0.00 0.00 2.96 4.01 -0.88 -1.29 117.16 117.68 1y5h n TYR 27 Ca 0.05 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1y5h n TYR 27 Cb 0.20 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1y5h n TYR 27 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1y5h n ARG 29 N 0.97 0.00 -0.20 -0.72 0.63 -0.89 -1.48 116.66 114.97 1y5h n ARG 29 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1y5h n ARG 29 Cb 0.20 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.20 1y5h n ARG 29 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1y5h h GLU 30 N 0.00 0.47 -0.03 -0.14 4.81 -1.46 -2.74 114.58 115.49 1y5h h GLU 30 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1y5h h GLU 30 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1y5h h GLU 30 CO 0.00 0.31 -0.08 0.72 -0.73 0.00 0.00 179.01 179.23 1y5h n HIS 31 N -4.92 0.00 -3.69 0.92 8.25 -0.55 -4.99 115.22 110.24 1y5h n HIS 31 Ca 0.07 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 1y5h n HIS 31 Cb 0.22 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.36 1y5h n HIS 31 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1y5h n ASP 32 N 1.10 -2.14 -4.31 0.41 2.03 -1.03 -5.00 116.55 107.61 1y5h n ASP 32 Ca 0.13 -0.86 -0.16 0.00 0.52 0.00 0.00 54.79 54.41 1y5h n ASP 32 Cb 0.57 -3.94 -0.10 0.00 -0.72 0.00 0.00 41.12 36.93 1y5h n ASP 32 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1y5h s ILE 33 N -3.65 1.12 -1.10 5.18 -4.36 -1.26 -5.04 121.20 112.10 1y5h s ILE 33 Ca 0.11 -2.05 0.10 0.00 -0.26 0.00 0.00 60.65 58.55 1y5h s ILE 33 Cb -0.03 -2.19 0.19 0.00 1.25 0.00 0.00 42.46 41.68 1y5h s ILE 33 CO 0.82 -0.45 1.05 0.61 0.24 0.00 0.00 174.94 177.21 1y5h n GLY 34 N -0.36 1.29 3.23 6.27 0.00 -1.26 -4.69 105.19 109.66 1y5h n GLY 34 Ca -0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1y5h n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5h s ALA 35 N -0.95 -0.88 -0.02 4.61 0.00 -1.26 -0.87 121.76 122.40 1y5h s ALA 35 Ca 0.18 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1y5h s ALA 35 Cb 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1y5h s ALA 35 CO 0.14 -0.19 -0.16 -0.51 0.00 0.00 0.00 175.76 175.04 1y5h s LEU 36 N 0.57 2.00 0.16 0.00 1.43 0.64 -4.95 118.68 118.52 1y5h s LEU 36 Ca -0.03 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1y5h s LEU 36 Cb -0.05 -0.86 -0.07 0.00 0.03 0.00 0.00 46.19 45.24 1y5h s LEU 36 CO -0.03 0.19 0.96 -2.16 0.23 0.00 0.00 176.35 175.53 1y5h s PRO 37 N -0.27 4.75 -0.12 1.29 0.04 -1.26 -1.00 135.00 138.43 1y5h s PRO 37 Ca 0.04 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 1y5h s PRO 37 Cb -0.08 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1y5h s PRO 37 CO -0.00 0.32 -0.12 0.42 0.04 0.00 0.00 177.00 177.65 1y5h s ILE 38 N -0.41 3.13 0.18 0.56 -1.09 0.48 -1.45 121.20 122.60 1y5h s ILE 38 Ca 0.45 -0.64 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 1y5h s ILE 38 Cb -0.24 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1y5h s ILE 38 CO 0.31 0.53 -0.13 0.00 -1.23 0.00 0.00 174.94 174.41 1y5h n GLY 40 N -0.18 1.67 3.79 0.00 0.00 0.46 -0.85 105.19 110.09 1y5h n GLY 40 Ca -0.10 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1y5h n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y5h s ASP 41 N -1.00 5.85 -1.37 1.61 1.01 -1.26 -3.94 116.67 117.57 1y5h s ASP 41 Ca 0.00 1.92 -0.07 0.00 0.71 0.00 0.00 52.55 55.11 1y5h s ASP 41 Cb 0.00 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.41 1y5h s ASP 41 CO 0.00 -1.12 0.99 -0.90 0.21 0.00 0.00 175.17 174.35 1y5h n ASP 42 N -1.67 -4.01 -2.53 0.27 5.75 -1.26 -2.38 116.55 110.72 1y5h n ASP 42 Ca 0.09 -0.68 -0.13 0.00 -0.01 0.00 0.00 54.79 54.06 1y5h n ASP 42 Cb 0.52 -4.51 -0.00 0.00 -1.03 0.00 0.00 41.12 36.09 1y5h n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1y5h n ASP 43 N -2.99 -3.77 -4.64 -1.12 2.03 -1.25 -4.78 116.55 100.02 1y5h n ASP 43 Ca -0.10 0.15 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1y5h n ASP 43 Cb 0.60 -3.20 -0.02 0.00 -0.72 0.00 0.00 41.12 37.77 1y5h n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1y5h s ARG 44 N -5.12 4.06 0.07 -0.67 3.03 -1.00 -1.43 118.95 117.89 1y5h s ARG 44 Ca 0.04 1.04 -0.31 0.00 2.03 0.00 0.00 55.73 58.53 1y5h s ARG 44 Cb -0.02 -3.73 -0.08 0.00 -1.03 0.00 0.00 34.95 30.08 1y5h s ARG 44 CO 0.05 -0.88 1.63 -1.17 -1.13 0.00 0.00 175.30 173.80 1y5h s LEU 45 N 3.58 4.36 -0.09 -1.89 2.96 -1.25 -0.40 118.68 125.94 1y5h s LEU 45 Ca 0.44 2.47 0.15 0.00 -0.22 0.00 0.00 54.13 56.97 1y5h s LEU 45 Cb -0.12 -3.57 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 1y5h s LEU 45 CO 0.15 -0.87 0.19 1.41 -1.32 0.00 0.00 176.35 175.91 1y5h n HIS 46 N 5.42 0.00 0.00 5.38 8.25 0.12 -4.89 115.22 129.51 1y5h n HIS 46 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1y5h n HIS 46 Cb 0.41 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.94 1y5h n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y5h n GLY 47 N 1.86 -0.54 3.60 -1.41 0.00 -1.10 -4.23 105.19 103.36 1y5h n GLY 47 Ca -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1y5h n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y5h s LEU 49 N 0.00 -0.63 0.31 0.99 2.96 -0.17 -0.38 118.68 121.76 1y5h s LEU 49 Ca 0.00 0.97 0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1y5h s LEU 49 Cb 0.00 1.87 -0.04 0.00 0.50 0.00 0.00 46.19 48.52 1y5h s LEU 49 CO 0.00 -0.15 0.17 0.42 -1.32 0.00 0.00 176.35 175.47 1y5h s THR 50 N 1.68 3.48 0.22 3.68 -4.23 -1.26 -0.26 115.64 118.95 1y5h s THR 50 Ca -0.08 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 1y5h s THR 50 Cb -0.05 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1y5h s THR 50 CO -0.16 -0.24 1.83 -2.24 -0.54 0.00 0.00 174.62 173.27 1y5h h ASP 51 N 1.51 1.10 -0.12 3.99 -0.00 -1.35 -2.02 116.42 119.53 1y5h h ASP 51 Ca -0.45 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.03 56.40 1y5h h ASP 51 Cb 1.25 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 40.28 1y5h h ASP 51 CO 0.61 0.90 -0.11 -0.09 -0.00 0.00 0.00 179.24 180.55 1y5h h ARG 52 N 1.21 0.45 -0.52 4.15 2.43 -1.96 -2.52 114.38 117.62 1y5h h ARG 52 Ca 0.30 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1y5h h ARG 52 Cb 0.07 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1y5h h ARG 52 CO -0.04 0.56 0.27 -0.44 -1.51 0.00 0.00 179.97 178.81 1y5h h ASP 53 N 0.42 0.40 -1.00 -3.80 3.32 -1.76 0.29 116.42 114.29 1y5h h ASP 53 Ca 0.08 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1y5h h ASP 53 Cb 0.45 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 1y5h h ASP 53 CO 0.02 0.27 0.66 0.40 -1.72 0.00 0.00 179.24 178.88 1y5h h ILE 54 N 0.53 1.21 -0.00 0.35 2.04 -1.14 0.20 117.51 120.70 1y5h h ILE 54 Ca 0.23 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1y5h h ILE 54 Cb 0.13 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1y5h h ILE 54 CO -0.15 0.24 -0.07 0.58 0.00 0.00 0.00 178.15 178.74 1y5h h VAL 55 N 1.30 1.61 0.10 1.67 2.07 -1.16 -0.28 116.25 121.56 1y5h h VAL 55 Ca 0.39 -1.89 -0.14 0.00 0.82 0.00 0.00 66.70 65.88 1y5h h VAL 55 Cb -0.06 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1y5h h VAL 55 CO -0.11 0.50 -0.59 0.40 0.02 0.00 0.00 177.57 177.79 1y5h h ILE 56 N -0.71 1.58 0.00 4.57 1.08 -0.38 0.62 117.51 124.28 1y5h h ILE 56 Ca -0.01 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.01 1y5h h ILE 56 Cb 0.85 3.21 0.00 0.00 -3.07 0.00 0.00 36.82 37.82 1y5h h ILE 56 CO 0.01 0.68 -0.78 0.29 -0.69 0.00 0.00 178.15 177.66 1y5h n LYS 57 N -4.26 0.32 0.00 2.37 5.02 0.67 -3.79 118.16 118.49 1y5h n LYS 57 Ca -0.13 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1y5h n LYS 57 Cb 0.72 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1y5h n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y5h n GLY 58 N 1.33 -0.30 0.21 0.72 0.00 -0.90 -4.39 105.19 101.87 1y5h n GLY 58 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1y5h n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y5h h LEU 59 N 0.00 0.28 -0.39 0.99 3.38 -0.95 -1.53 115.31 117.09 1y5h h LEU 59 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y5h h LEU 59 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1y5h h LEU 59 CO 0.00 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1y5h n ALA 60 N -2.40 1.80 -0.64 1.53 0.00 0.20 -2.46 120.51 118.53 1y5h n ALA 60 Ca 0.06 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1y5h n ALA 60 Cb 0.19 -1.37 0.35 0.00 0.00 0.00 0.00 19.45 18.62 1y5h n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y5h n ALA 61 N -1.70 3.09 -1.08 0.00 0.00 -0.65 -4.94 120.51 115.24 1y5h n ALA 61 Ca 0.03 -1.64 -0.03 0.00 0.00 0.00 0.00 53.44 51.80 1y5h n ALA 61 Cb 0.25 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1y5h n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y5h n GLY 62 N 1.00 0.59 3.86 0.00 0.00 -1.03 -4.99 105.19 104.63 1y5h n GLY 62 Ca 0.25 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1y5h n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y5h s LEU 63 N -0.63 4.05 -0.26 0.99 1.43 -0.79 -5.04 118.68 118.42 1y5h s LEU 63 Ca 0.00 1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 54.04 1y5h s LEU 63 Cb 0.00 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 1y5h s LEU 63 CO 0.00 -0.21 0.60 -0.62 0.23 0.00 0.00 176.35 176.35 1y5h s ASP 64 N -2.50 6.53 0.40 2.29 -1.08 -1.26 -4.41 116.67 116.64 1y5h s ASP 64 Ca 0.51 0.62 0.28 0.00 -0.52 0.00 0.00 52.55 53.45 1y5h s ASP 64 Cb -0.10 -2.32 1.42 0.00 -1.46 0.00 0.00 42.92 40.45 1y5h s ASP 64 CO 0.21 -0.37 1.85 1.55 0.52 0.00 0.00 175.17 178.94 1y5h h PRO 65 N 7.97 0.00 -0.00 4.34 0.13 -1.94 0.18 132.00 142.67 1y5h h PRO 65 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1y5h h PRO 65 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1y5h h PRO 65 CO 0.76 0.00 -0.34 0.09 -0.23 0.00 0.00 178.00 178.28 1y5h n ASN 66 N -2.50 0.48 0.00 1.44 3.02 -1.26 -1.39 115.26 115.05 1y5h n ASN 66 Ca -0.01 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1y5h n ASN 66 Cb 0.11 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1y5h n ASN 66 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1y5h n THR 67 N -1.33 0.00 -2.08 3.41 -2.24 -0.66 -4.91 114.28 106.47 1y5h n THR 67 Ca 0.08 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.47 1y5h n THR 67 Cb 0.33 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1y5h n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y5h s ALA 68 N -1.78 3.15 0.22 6.98 0.00 0.54 -4.92 121.76 125.96 1y5h s ALA 68 Ca 0.00 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1y5h s ALA 68 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1y5h s ALA 68 CO 0.00 -0.83 0.18 0.95 0.00 0.00 0.00 175.76 176.06 1y5h s THR 69 N -1.33 4.46 0.25 0.00 -4.23 -1.26 -1.71 115.64 111.83 1y5h s THR 69 Ca 0.60 -1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1y5h s THR 69 Cb -0.36 -3.36 0.26 0.00 1.34 0.00 0.00 72.50 70.37 1y5h s THR 69 CO 0.45 -0.27 1.91 0.00 -0.54 0.00 0.00 174.62 176.18 1y5h h ALA 70 N 1.80 1.30 -0.73 3.99 0.00 -0.80 -2.40 119.26 122.42 1y5h h ALA 70 Ca -0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1y5h h ALA 70 Cb 1.23 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1y5h h ALA 70 CO 0.61 0.59 0.34 0.78 0.00 0.00 0.00 179.25 181.58 1y5h h GLY 71 N 1.30 1.12 1.14 0.00 0.00 -1.35 0.14 103.07 105.43 1y5h h GLY 71 Ca 0.38 -0.55 0.07 0.00 0.00 0.00 0.00 47.33 47.23 1y5h h GLY 71 CO -0.11 0.52 0.40 0.83 0.00 0.00 0.00 176.54 178.19 1y5h h GLU 72 N 1.04 0.54 0.03 4.80 5.08 -1.66 -1.64 114.58 122.77 1y5h h GLU 72 Ca 0.25 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.23 1y5h h GLU 72 Cb 0.12 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1y5h h GLU 72 CO -0.03 0.35 -2.10 1.28 -1.00 0.00 0.00 179.01 177.52 1y5h n LEU 73 N -4.48 1.39 0.20 1.33 4.32 -1.03 -4.41 117.00 114.33 1y5h n LEU 73 Ca 0.09 0.16 0.06 0.00 -0.02 0.00 0.00 56.01 56.30 1y5h n LEU 73 Cb 0.27 -0.21 0.40 0.00 -1.62 0.00 0.00 43.42 42.26 1y5h n LEU 73 CO 0.34 0.62 0.73 0.00 -1.22 0.00 0.00 177.39 177.86 1y5h h ALA 74 N 0.62 1.09 0.00 -1.18 0.00 -0.47 -3.04 119.26 116.28 1y5h h ALA 74 Ca -0.44 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1y5h h ALA 74 Cb 2.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1y5h h ALA 74 CO 0.04 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.24 1y5h n ARG 75 N -3.63 0.07 0.09 0.00 1.74 -0.64 -1.05 116.66 113.25 1y5h n ARG 75 Ca -0.01 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1y5h n ARG 75 Cb 0.45 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.55 1y5h n ARG 75 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1y5h h ASP 76 N 0.00 0.00 -2.89 0.55 3.32 -1.81 -3.41 116.42 112.18 1y5h h ASP 76 Ca 0.00 -0.13 -0.61 0.00 0.02 0.00 0.00 57.03 56.31 1y5h h ASP 76 Cb 0.09 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.22 1y5h h ASP 76 CO 0.00 0.06 -0.66 -1.20 -1.72 0.00 0.00 179.24 175.72 1y5h n SER 77 N -2.34 2.28 -4.26 6.45 7.64 -0.22 -5.06 113.62 118.12 1y5h n SER 77 Ca 0.03 -3.04 -0.38 0.00 1.01 0.00 0.00 58.87 56.48 1y5h n SER 77 Cb 0.47 -0.71 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 1y5h n SER 77 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1y5h s ILE 78 N -1.18 3.90 0.02 0.44 2.07 -1.26 -4.49 121.20 120.69 1y5h s ILE 78 Ca 0.27 -1.30 -0.07 0.00 -1.41 0.00 0.00 60.65 58.14 1y5h s ILE 78 Cb -0.02 -3.31 -0.00 0.00 0.13 0.00 0.00 42.46 39.26 1y5h s ILE 78 CO -0.17 -0.34 0.13 -0.72 -1.91 0.00 0.00 174.94 171.93 1y5h s TYR 79 N 1.39 0.09 0.02 3.50 -0.85 -1.26 -5.09 117.35 115.15 1y5h s TYR 79 Ca 0.01 -0.27 -0.29 0.00 -0.52 0.00 0.00 57.07 56.01 1y5h s TYR 79 Cb -0.21 -0.08 0.11 0.00 0.38 0.00 0.00 41.96 42.16 1y5h s TYR 79 CO 0.02 -0.33 1.23 1.52 -1.52 0.00 0.00 175.55 176.47 1y5h s TYR 80 N -1.90 -0.03 0.08 -3.49 -0.85 -1.26 -4.43 117.35 105.48 1y5h s TYR 80 Ca -0.11 -0.13 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1y5h s TYR 80 Cb -0.05 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1y5h s TYR 80 CO -0.01 -0.39 -0.11 0.14 -1.52 0.00 0.00 175.55 173.66 1y5h s VAL 81 N -2.41 0.93 0.57 -3.49 -7.23 -0.77 -4.98 120.40 103.02 1y5h s VAL 81 Ca 0.18 -1.46 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 1y5h s VAL 81 Cb 0.02 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 1y5h s VAL 81 CO -0.02 -0.43 1.04 -0.62 -0.31 0.00 0.00 175.10 174.76 1y5h s ASP 82 N -2.11 5.97 0.61 4.85 2.15 -1.26 -0.95 116.67 125.93 1y5h s ASP 82 Ca 0.01 1.77 0.32 0.00 0.43 0.00 0.00 52.55 55.08 1y5h s ASP 82 Cb -0.06 -2.53 1.84 0.00 -0.30 0.00 0.00 42.92 41.87 1y5h s ASP 82 CO 0.01 -1.04 2.17 0.00 -0.17 0.00 0.00 175.17 176.14 1y5h h ALA 83 N 0.56 1.54 -0.40 3.66 0.00 -1.63 -0.38 119.26 122.61 1y5h h ALA 83 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1y5h h ALA 83 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y5h h ALA 83 CO 0.58 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.74 1y5h n ASN 84 N -3.58 2.92 -4.76 0.00 5.03 -1.26 -1.66 115.26 111.95 1y5h n ASN 84 Ca -0.01 -1.93 -0.38 0.00 0.87 0.00 0.00 54.58 53.13 1y5h n ASN 84 Cb 0.23 -0.26 0.02 0.00 -1.02 0.00 0.00 39.78 38.75 1y5h n ASN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y5h s ALA 85 N -1.47 2.97 0.71 5.41 0.00 -0.15 -4.70 121.76 124.52 1y5h s ALA 85 Ca 0.37 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.49 1y5h s ALA 85 Cb 0.21 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.87 1y5h s ALA 85 CO 0.29 -1.10 1.03 -1.54 0.00 0.00 0.00 175.76 174.43 1y5h s SER 86 N -0.97 4.90 0.23 0.00 1.04 -1.26 -1.31 113.70 116.32 1y5h s SER 86 Ca 0.66 0.57 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 1y5h s SER 86 Cb -0.38 -1.25 0.21 0.00 0.10 0.00 0.00 66.02 64.70 1y5h s SER 86 CO 0.46 -1.56 1.89 0.40 0.98 0.00 0.00 173.24 175.41 1y5h h ILE 87 N -0.62 1.23 -0.71 -1.02 2.04 -1.94 -2.06 117.51 114.43 1y5h h ILE 87 Ca -0.45 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1y5h h ILE 87 Cb 1.31 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1y5h h ILE 87 CO 0.61 0.23 0.45 1.56 0.00 0.00 0.00 178.15 181.00 1y5h h GLN 88 N 1.20 0.84 -1.28 2.37 7.50 -1.95 -0.95 115.11 122.84 1y5h h GLN 88 Ca 0.32 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.42 1y5h h GLN 88 Cb -0.11 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.23 1y5h h GLN 88 CO -0.07 0.56 0.00 0.39 -1.50 0.00 0.00 178.83 178.21 1y5h n GLU 89 N -4.66 0.18 0.00 1.46 1.02 -0.78 -1.09 120.64 116.77 1y5h n GLU 89 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1y5h n GLU 89 Cb 0.09 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1y5h n GLU 89 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1y5h n LEU 91 N 0.75 0.00 -0.15 -4.62 4.77 -0.36 -1.67 117.00 115.71 1y5h n LEU 91 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1y5h n LEU 91 Cb 0.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1y5h n LEU 91 CO 0.00 0.00 1.04 0.78 -1.33 0.00 0.00 177.39 177.88 1y5h h ASN 92 N 0.00 0.54 0.00 -1.43 2.35 -1.36 0.46 115.58 116.14 1y5h h ASN 92 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1y5h h ASN 92 Cb 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1y5h h ASN 92 CO 0.00 0.42 0.00 0.52 -1.65 0.00 0.00 177.43 176.72 1y5h n VAL 93 N -4.74 0.10 0.00 2.81 0.31 -0.67 -1.61 118.33 114.53 1y5h n VAL 93 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1y5h n VAL 93 Cb 0.05 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1y5h n VAL 93 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1y5h n GLU 95 N 0.62 0.00 -0.19 5.55 0.28 0.15 -1.70 120.64 125.35 1y5h n GLU 95 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1y5h n GLU 95 Cb 0.08 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.01 1y5h n GLU 95 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1y5h h GLU 96 N 0.00 0.60 -0.01 3.44 9.09 -1.55 -2.81 114.58 123.35 1y5h h GLU 96 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1y5h h GLU 96 Cb 0.00 -0.14 0.00 0.00 -1.65 0.00 0.00 28.75 26.96 1y5h h GLU 96 CO 0.00 0.40 -0.23 0.72 0.05 0.00 0.00 179.01 179.94 1y5h n HIS 97 N -4.81 0.00 -3.54 2.06 8.25 -0.69 -4.98 115.22 111.51 1y5h n HIS 97 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 1y5h n HIS 97 Cb 0.12 -0.08 0.06 0.00 1.12 0.00 0.00 29.99 31.21 1y5h n HIS 97 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1y5h n GLN 98 N -0.35 -5.64 -4.33 -0.41 1.13 -1.06 -5.02 117.38 101.70 1y5h n GLN 98 Ca 0.13 0.74 -0.18 0.00 -1.94 0.00 0.00 57.00 55.76 1y5h n GLN 98 Cb 0.38 -5.54 -0.10 0.00 0.11 0.00 0.00 30.24 25.08 1y5h n GLN 98 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1y5h s VAL 99 N -3.50 1.57 -1.61 5.09 -7.23 -1.26 -5.05 120.40 108.41 1y5h s VAL 99 Ca 0.02 -2.16 0.22 0.00 -1.81 0.00 0.00 61.98 58.25 1y5h s VAL 99 Cb -0.00 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 1y5h s VAL 99 CO 0.77 -0.59 1.01 0.54 -0.31 0.00 0.00 175.10 176.51 1y5h n ARG 100 N -0.36 0.75 -3.82 4.82 3.00 -1.26 -4.72 116.66 115.07 1y5h n ARG 100 Ca -0.08 -0.60 -0.12 0.00 -0.01 0.00 0.00 57.85 57.04 1y5h n ARG 100 Cb 0.61 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.49 1y5h n ARG 100 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1y5h s ARG 101 N -2.68 0.53 0.01 5.56 1.70 -1.26 -0.33 118.95 122.49 1y5h s ARG 101 Ca 0.14 -0.23 0.02 0.00 -0.47 0.00 0.00 55.73 55.19 1y5h s ARG 101 Cb 0.17 0.23 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1y5h s ARG 101 CO 0.69 -0.13 -0.06 0.08 -1.08 0.00 0.00 175.30 174.80 1y5h s VAL 102 N -1.18 0.44 0.43 4.99 1.01 0.16 -4.97 120.40 121.28 1y5h s VAL 102 Ca -0.12 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1y5h s VAL 102 Cb -0.06 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 1y5h s VAL 102 CO 0.02 -0.05 1.03 -2.84 0.00 0.00 0.00 175.10 173.26 1y5h s PRO 103 N -0.59 4.06 -0.15 2.72 0.02 -1.26 -0.96 135.00 138.84 1y5h s PRO 103 Ca -0.02 1.40 -0.02 0.00 0.02 0.00 0.00 61.00 62.38 1y5h s PRO 103 Cb -0.05 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 1y5h s PRO 103 CO -0.00 -0.22 -0.08 0.08 -0.33 0.00 0.00 177.00 176.46 1y5h s VAL 104 N -1.84 3.51 0.06 3.83 1.01 0.33 -1.85 120.40 125.45 1y5h s VAL 104 Ca 0.61 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1y5h s VAL 104 Cb -0.18 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1y5h s VAL 104 CO 0.23 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 175.06 1y5h s ILE 105 N 0.43 3.08 -0.21 2.22 -1.09 -0.13 -1.13 121.20 124.38 1y5h s ILE 105 Ca -0.06 -1.18 -0.04 0.00 -2.23 0.00 0.00 60.65 57.14 1y5h s ILE 105 Cb -0.15 -2.35 0.10 0.00 -1.58 0.00 0.00 42.46 38.48 1y5h s ILE 105 CO 0.04 0.26 0.35 -0.55 -1.23 0.00 0.00 174.94 173.81 1y5h s SER 106 N -1.70 0.26 -1.14 3.58 0.15 -0.36 -1.51 113.70 112.98 1y5h s SER 106 Ca 0.17 0.45 -0.06 0.00 0.70 0.00 0.00 55.95 57.21 1y5h s SER 106 Cb -0.11 1.02 0.01 0.00 -1.71 0.00 0.00 66.02 65.23 1y5h s SER 106 CO 0.08 -0.27 0.78 -0.62 1.20 0.00 0.00 173.24 174.41 1y5h n GLU 107 N 5.36 -5.50 -0.83 5.44 4.71 -1.26 -2.15 120.64 126.42 1y5h n GLU 107 Ca -0.06 0.68 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 1y5h n GLU 107 Cb 0.50 -5.19 0.00 0.00 -1.01 0.00 0.00 31.44 25.74 1y5h n GLU 107 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1y5h n HIS 108 N -4.41 0.00 -4.57 -0.32 -0.00 -1.26 -4.99 115.22 99.66 1y5h n HIS 108 Ca -0.03 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.37 1y5h n HIS 108 Cb 0.56 -0.68 -0.11 0.00 -0.00 0.00 0.00 29.99 29.77 1y5h n HIS 108 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1y5h s ARG 109 N -0.51 2.48 0.04 -0.41 3.00 -0.91 -3.95 118.95 118.70 1y5h s ARG 109 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 55.73 54.68 1y5h s ARG 109 Cb 0.00 -2.44 -0.07 0.00 0.00 0.00 0.00 34.95 32.44 1y5h s ARG 109 CO 0.00 0.60 1.48 -1.17 0.00 0.00 0.00 175.30 176.21 1y5h s LEU 110 N -1.26 4.34 -0.00 2.53 2.96 -0.52 -1.22 118.68 125.51 1y5h s LEU 110 Ca 0.15 2.28 0.04 0.00 -0.22 0.00 0.00 54.13 56.38 1y5h s LEU 110 Cb -0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1y5h s LEU 110 CO 0.05 -0.76 0.14 1.33 -1.32 0.00 0.00 176.35 175.79 1y5h n VAL 111 N 4.55 0.00 -0.19 1.68 0.24 -0.28 -4.94 118.33 119.39 1y5h n VAL 111 Ca 0.14 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1y5h n VAL 111 Cb 0.42 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1y5h n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y5h n GLY 112 N 1.26 -1.60 3.01 7.63 0.00 -1.22 -3.40 105.19 110.87 1y5h n GLY 112 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1y5h n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y5h s ILE 113 N -2.06 0.84 -0.10 -0.61 -1.09 -0.86 -0.51 121.20 116.81 1y5h s ILE 113 Ca 0.00 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1y5h s ILE 113 Cb 0.00 -0.75 -0.01 0.00 -1.58 0.00 0.00 42.46 40.12 1y5h s ILE 113 CO 0.00 0.26 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.11 1y5h s VAL 114 N 0.21 2.70 0.31 2.92 1.01 -0.13 -0.80 120.40 126.61 1y5h s VAL 114 Ca -0.04 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.21 1y5h s VAL 114 Cb -0.09 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1y5h s VAL 114 CO 0.01 0.55 0.21 0.42 0.00 0.00 0.00 175.10 176.29 1y5h s THR 115 N 0.06 3.60 0.35 3.92 -4.23 -1.26 -0.66 115.64 117.42 1y5h s THR 115 Ca -0.07 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1y5h s THR 115 Cb -0.15 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1y5h s THR 115 CO 0.05 -0.23 1.93 -0.08 -0.54 0.00 0.00 174.62 175.75 1y5h h GLU 116 N 1.43 0.60 -0.41 3.99 4.81 -1.05 -1.55 114.58 122.40 1y5h h GLU 116 Ca -0.45 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 1y5h h GLU 116 Cb 1.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1y5h h GLU 116 CO 0.60 0.52 0.01 0.00 -0.73 0.00 0.00 179.01 179.41 1y5h h ALA 117 N 1.56 1.24 -0.81 2.92 0.00 -1.95 -1.86 119.26 120.36 1y5h h ALA 117 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1y5h h ALA 117 Cb 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1y5h h ALA 117 CO -0.01 0.51 0.42 -0.44 0.00 0.00 0.00 179.25 179.73 1y5h h ASP 118 N 0.63 1.03 -0.41 0.00 3.32 -1.65 -1.38 116.42 117.95 1y5h h ASP 118 Ca 0.13 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1y5h h ASP 118 Cb 0.38 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1y5h h ASP 118 CO 0.01 0.85 0.13 0.40 -1.72 0.00 0.00 179.24 178.91 1y5h h ILE 119 N 1.13 1.22 -0.71 0.35 2.04 -1.09 -2.51 117.51 117.94 1y5h h ILE 119 Ca 0.28 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1y5h h ILE 119 Cb 0.07 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1y5h h ILE 119 CO -0.04 0.25 0.38 0.00 0.00 0.00 0.00 178.15 178.75 1y5h h ALA 120 N 0.98 1.33 -0.03 1.87 0.00 -1.02 -2.75 119.26 119.64 1y5h h ALA 120 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1y5h h ALA 120 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1y5h h ALA 120 CO -0.00 0.54 -0.50 0.00 0.00 0.00 0.00 179.25 179.29 1y5h h ARG 121 N 0.99 0.09 -0.74 0.00 3.08 -1.05 -3.33 114.38 113.42 1y5h h ARG 121 Ca 0.25 -0.05 -0.53 0.00 0.07 0.00 0.00 59.98 59.72 1y5h h ARG 121 Cb 0.03 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.71 1y5h h ARG 121 CO -0.04 0.57 -0.54 0.72 -1.07 0.00 0.00 179.97 179.61 1y5h n HIS 122 N -3.95 2.65 -0.03 3.04 8.25 -0.96 -4.77 115.22 119.45 1y5h n HIS 122 Ca -0.02 -2.29 -0.13 0.00 -0.26 0.00 0.00 57.72 55.03 1y5h n HIS 122 Cb 0.52 -0.50 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 1y5h n HIS 122 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y5h h LEU 123 N 2.07 -0.00 0.00 2.41 3.38 -1.64 -3.49 115.31 118.03 1y5h h LEU 123 Ca 0.38 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1y5h h LEU 123 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1y5h h LEU 123 CO 0.83 0.63 0.00 -2.65 0.09 0.00 0.00 178.44 177.34