#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2g s ARG 6 N 0.00 4.60 0.16 1.97 1.70 -1.26 -4.96 118.95 121.16 1y2g s ARG 6 Ca 0.00 1.71 0.18 0.00 -0.47 0.00 0.00 55.73 57.15 1y2g s ARG 6 Cb 0.00 -3.28 -0.03 0.00 -0.57 0.00 0.00 34.95 31.07 1y2g s ARG 6 CO 0.00 0.09 1.06 1.57 -1.08 0.00 0.00 175.30 176.94 1y2g h LYS 7 N 5.07 0.00 -3.26 3.89 2.10 -1.91 -3.34 116.57 119.12 1y2g h LYS 7 Ca -0.44 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.10 1y2g h LYS 7 Cb 1.21 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.36 1y2g h LYS 7 CO 0.72 0.26 -0.31 -2.00 -2.00 0.00 0.00 179.45 176.12 1y2g s GLU 8 N -3.04 0.70 0.08 0.07 2.56 -1.26 -4.60 118.70 113.20 1y2g s GLU 8 Ca -0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 54.97 54.32 1y2g s GLU 8 Cb 0.08 0.30 0.09 0.00 2.00 0.00 0.00 34.13 36.60 1y2g s GLU 8 CO 0.78 -0.20 0.74 0.00 -0.56 0.00 0.00 175.26 176.02 1y2g s ALA 9 N -1.94 -1.71 -0.07 6.30 0.00 -0.85 -5.02 121.76 118.47 1y2g s ALA 9 Ca -0.09 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1y2g s ALA 9 Cb -0.03 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1y2g s ALA 9 CO 0.00 -0.73 -0.24 0.54 0.00 0.00 0.00 175.76 175.34 1y2g s VAL 10 N -3.43 2.00 -0.32 0.00 0.11 -1.26 -0.34 120.40 117.16 1y2g s VAL 10 Ca 0.03 -1.01 -0.13 0.00 -2.93 0.00 0.00 61.98 57.93 1y2g s VAL 10 Cb -0.01 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 1y2g s VAL 10 CO -0.11 0.55 0.29 -0.63 -3.33 0.00 0.00 175.10 171.87 1y2g s ILE 11 N 0.06 5.24 -0.08 7.04 -1.09 0.13 -4.93 121.20 127.57 1y2g s ILE 11 Ca -0.10 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1y2g s ILE 11 Cb -0.15 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1y2g s ILE 11 CO 0.06 0.05 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.96 1y2g s ILE 12 N 1.87 1.85 0.27 2.92 1.01 -1.26 -0.92 121.20 126.94 1y2g s ILE 12 Ca 0.09 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1y2g s ILE 12 Cb -0.17 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1y2g s ILE 12 CO 0.11 0.52 0.20 0.00 0.00 0.00 0.00 174.94 175.76 1y2g s MET 13 N 0.22 1.48 0.11 2.79 0.23 -0.44 -2.26 119.30 121.42 1y2g s MET 13 Ca -0.13 -1.82 -0.07 0.00 -1.03 0.00 0.00 55.69 52.64 1y2g s MET 13 Cb -0.16 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.40 1y2g s MET 13 CO 0.06 -0.51 0.17 -0.80 -2.03 0.00 0.00 175.02 171.91 1y2g s ASN 14 N -3.27 0.18 -0.16 -1.18 0.01 0.10 -0.97 114.94 109.64 1y2g s ASN 14 Ca 0.40 -0.81 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1y2g s ASN 14 Cb 0.05 0.34 0.03 0.00 0.41 0.00 0.00 41.25 42.08 1y2g s ASN 14 CO 0.19 -0.75 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.24 1y2g s VAL 15 N -3.92 1.48 0.24 1.60 1.01 -0.12 -0.58 120.40 120.11 1y2g s VAL 15 Ca 0.10 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1y2g s VAL 15 Cb 0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1y2g s VAL 15 CO -0.07 0.30 -0.10 0.00 0.00 0.00 0.00 175.10 175.23 1y2g s ALA 16 N 1.50 2.16 0.63 5.51 0.00 -0.10 -0.27 121.76 131.18 1y2g s ALA 16 Ca 0.02 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 1y2g s ALA 16 Cb -0.14 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1y2g s ALA 16 CO -0.09 -0.00 1.04 0.00 0.00 0.00 0.00 175.76 176.71 1y2g s ALA 17 N -3.00 3.04 0.56 0.00 0.00 -0.18 -0.90 121.76 121.28 1y2g s ALA 17 Ca 0.26 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1y2g s ALA 17 Cb 0.01 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 1y2g s ALA 17 CO 0.09 -0.78 1.14 -1.01 0.00 0.00 0.00 175.76 175.20 1y2g s HIS 18 N -3.18 2.63 0.28 0.00 3.76 -1.26 -4.81 115.29 112.71 1y2g s HIS 18 Ca 0.56 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.71 1y2g s HIS 18 Cb -0.11 -3.30 -0.13 0.00 1.11 0.00 0.00 32.58 30.14 1y2g s HIS 18 CO 0.54 -1.66 1.28 1.58 -0.85 0.00 0.00 174.74 175.62 1y2g n HIS 19 N -1.45 1.99 -0.45 1.40 -0.00 -1.26 -1.93 115.22 113.50 1y2g n HIS 19 Ca 0.12 0.54 0.00 0.00 0.46 0.00 0.00 57.72 58.84 1y2g n HIS 19 Cb 0.51 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 1y2g n HIS 19 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y2g n GLY 20 N 1.48 0.77 3.64 1.57 0.00 -1.26 -5.04 105.19 106.35 1y2g n GLY 20 Ca 0.09 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1y2g n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y2g s SER 21 N -2.02 0.18 0.10 1.61 1.04 -0.82 -5.18 113.70 108.61 1y2g s SER 21 Ca 0.00 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.36 1y2g s SER 21 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1y2g s SER 21 CO 0.00 -1.33 -0.08 -1.61 0.98 0.00 0.00 173.24 171.20 1y2g s GLU 22 N -3.37 0.83 0.39 4.02 2.02 -1.26 -4.62 118.70 116.71 1y2g s GLU 22 Ca 0.22 -1.26 -0.23 0.00 0.02 0.00 0.00 54.97 53.71 1y2g s GLU 22 Cb -0.02 -0.30 -0.10 0.00 0.10 0.00 0.00 34.13 33.81 1y2g s GLU 22 CO 0.12 0.01 0.98 -0.51 0.02 0.00 0.00 175.26 175.89 1y2g s LEU 23 N -2.82 4.12 -0.34 1.80 1.43 0.93 -4.85 118.68 118.96 1y2g s LEU 23 Ca 0.09 1.85 -0.29 0.00 -1.03 0.00 0.00 54.13 54.75 1y2g s LEU 23 Cb 0.02 -4.27 -0.00 0.00 0.03 0.00 0.00 46.19 41.97 1y2g s LEU 23 CO -0.03 -0.32 1.47 0.21 0.23 0.00 0.00 176.35 177.90 1y2g s ASN 24 N -1.81 6.37 0.21 2.29 3.84 -1.26 -2.85 114.94 121.73 1y2g s ASN 24 Ca 0.57 1.13 -0.10 0.00 0.21 0.00 0.00 52.86 54.67 1y2g s ASN 24 Cb -0.16 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.28 1y2g s ASN 24 CO 0.21 -1.35 1.73 1.23 -2.79 0.00 0.00 177.10 176.13 1y2g h GLY 25 N 11.95 0.80 0.89 1.21 0.00 -0.84 0.31 103.07 117.39 1y2g h GLY 25 Ca -0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1y2g h GLY 25 CO 1.05 -0.06 0.07 -2.09 0.00 0.00 0.00 176.54 175.51 1y2g h GLU 26 N 0.33 0.49 -0.77 4.80 4.81 -1.69 -1.62 114.58 120.93 1y2g h GLU 26 Ca 0.30 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1y2g h GLU 26 Cb 0.41 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1y2g h GLU 26 CO -0.34 0.57 0.40 1.25 -0.73 0.00 0.00 179.01 180.16 1y2g h LEU 27 N 0.32 0.97 0.11 1.64 5.85 -1.82 -1.93 115.31 120.45 1y2g h LEU 27 Ca 0.09 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1y2g h LEU 27 Cb 0.31 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1y2g h LEU 27 CO 0.00 0.79 -0.05 0.25 -0.34 0.00 0.00 178.44 179.09 1y2g h LEU 28 N 1.08 -0.12 -0.99 2.25 5.85 -0.65 -1.10 115.31 121.64 1y2g h LEU 28 Ca 0.27 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1y2g h LEU 28 Cb 0.05 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1y2g h LEU 28 CO -0.04 0.06 0.65 -0.07 -0.34 0.00 0.00 178.44 178.70 1y2g h LEU 29 N -0.29 1.11 -0.98 2.25 3.38 -1.16 0.49 115.31 120.10 1y2g h LEU 29 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1y2g h LEU 29 Cb 0.24 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1y2g h LEU 29 CO 0.02 0.78 0.41 -1.13 0.09 0.00 0.00 178.44 178.62 1y2g h ASN 30 N 1.30 1.02 0.45 -0.43 -1.24 -1.15 -1.71 115.58 113.83 1y2g h ASN 30 Ca 0.38 -0.10 -0.16 0.00 0.71 0.00 0.00 56.30 57.13 1y2g h ASN 30 Cb -0.09 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.69 1y2g h ASN 30 CO -0.10 0.84 -0.67 0.77 -1.29 0.00 0.00 177.43 176.98 1y2g h SER 31 N 1.13 0.23 -0.60 1.15 4.64 -0.21 -0.16 113.55 119.73 1y2g h SER 31 Ca 0.28 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1y2g h SER 31 Cb 0.07 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1y2g h SER 31 CO -0.04 0.84 0.03 0.40 -0.87 0.00 0.00 176.83 177.18 1y2g h ILE 32 N 0.14 1.26 -0.21 0.95 2.04 -0.54 0.25 117.51 121.39 1y2g h ILE 32 Ca -0.01 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 1y2g h ILE 32 Cb 1.21 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1y2g h ILE 32 CO 0.10 0.41 -0.12 1.56 0.00 0.00 0.00 178.15 180.10 1y2g h GLN 33 N 0.97 0.46 -0.02 2.37 4.20 -1.06 -2.23 115.11 119.80 1y2g h GLN 33 Ca 0.18 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1y2g h GLN 33 Cb 0.52 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1y2g h GLN 33 CO 0.03 0.75 -0.04 0.37 -0.67 0.00 0.00 178.83 179.26 1y2g h GLN 34 N 0.16 0.03 0.00 1.46 4.15 -0.70 -0.92 115.11 119.29 1y2g h GLN 34 Ca 0.05 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1y2g h GLN 34 Cb 0.63 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1y2g h GLN 34 CO 0.03 0.08 0.00 0.00 -1.93 0.00 0.00 178.83 177.02 1y2g n ALA 35 N -2.53 2.42 0.00 3.38 0.00 0.83 -4.90 120.51 119.72 1y2g n ALA 35 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1y2g n ALA 35 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1y2g n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y2g n GLY 36 N 0.94 0.43 3.82 0.00 0.00 -0.35 -4.92 105.19 105.12 1y2g n GLY 36 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1y2g n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y2g s PHE 37 N -2.00 3.22 -0.05 1.61 0.40 -0.86 -4.72 117.98 115.57 1y2g s PHE 37 Ca 0.00 1.48 0.01 0.00 -0.60 0.00 0.00 56.93 57.82 1y2g s PHE 37 Cb 0.00 -2.90 0.02 0.00 0.51 0.00 0.00 43.02 40.65 1y2g s PHE 37 CO 0.00 -0.78 -0.06 0.42 0.70 0.00 0.00 175.22 175.50 1y2g s ILE 38 N -2.57 0.70 0.21 0.64 1.01 -0.40 -4.48 121.20 116.31 1y2g s ILE 38 Ca 0.61 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.75 1y2g s ILE 38 Cb -0.13 -0.70 -0.11 0.00 0.01 0.00 0.00 42.46 41.53 1y2g s ILE 38 CO 0.35 0.27 1.58 0.12 0.00 0.00 0.00 174.94 177.26 1y2g s PHE 39 N 0.97 2.97 0.00 3.97 2.19 -1.26 -1.78 117.98 125.04 1y2g s PHE 39 Ca -0.10 0.66 0.00 0.00 0.33 0.00 0.00 56.93 57.82 1y2g s PHE 39 Cb -0.14 -3.98 0.00 0.00 -1.31 0.00 0.00 43.02 37.59 1y2g s PHE 39 CO 0.00 -3.50 0.00 0.41 1.83 0.00 0.00 175.22 173.96 1y2g n GLY 40 N 3.26 3.35 2.83 13.12 0.00 -0.54 -4.95 105.19 122.25 1y2g n GLY 40 Ca 0.12 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1y2g n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y2g n ASP 41 N 0.00 -0.57 -1.92 1.61 8.00 -1.26 -1.49 116.55 120.92 1y2g n ASP 41 Ca 0.00 0.94 -0.21 0.00 0.71 0.00 0.00 54.79 56.23 1y2g n ASP 41 Cb 0.00 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.27 1y2g n ASP 41 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1y2g n MET 42 N 1.01 -1.55 -3.62 -1.24 2.81 -1.26 -2.99 117.12 110.27 1y2g n MET 42 Ca 0.16 1.13 -0.27 0.00 -1.81 0.00 0.00 57.70 56.91 1y2g n MET 42 Cb 0.14 -5.62 0.04 0.00 -0.71 0.00 0.00 33.22 27.06 1y2g n MET 42 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1y2g n ASN 43 N -1.61 -5.30 -3.78 7.83 3.02 -0.56 -4.83 115.26 110.02 1y2g n ASN 43 Ca -0.22 -0.59 -0.24 0.00 -0.03 0.00 0.00 54.58 53.50 1y2g n ASN 43 Cb 0.68 -4.24 -0.08 0.00 -0.61 0.00 0.00 39.78 35.53 1y2g n ASN 43 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1y2g s ILE 44 N -3.24 0.33 0.14 2.41 -4.36 -1.16 -1.92 121.20 113.40 1y2g s ILE 44 Ca 0.56 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.95 1y2g s ILE 44 Cb -0.27 -2.36 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 1y2g s ILE 44 CO 0.69 0.00 0.31 -0.31 0.24 0.00 0.00 174.94 175.86 1y2g s TYR 45 N -3.26 3.49 -0.01 1.37 1.51 -0.57 -1.47 117.35 118.41 1y2g s TYR 45 Ca 0.29 0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 56.59 1y2g s TYR 45 Cb 0.02 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1y2g s TYR 45 CO 0.20 0.49 0.07 -1.01 -1.11 0.00 0.00 175.55 174.18 1y2g s HIS 46 N -1.70 0.02 -0.22 2.71 3.76 -0.73 -0.39 115.29 118.74 1y2g s HIS 46 Ca 0.37 -0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 55.15 1y2g s HIS 46 Cb -0.12 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 1y2g s HIS 46 CO 0.28 -0.13 0.13 0.50 -0.85 0.00 0.00 174.74 174.67 1y2g s ARG 47 N -0.62 4.09 0.38 1.40 6.06 0.27 -1.27 118.95 129.27 1y2g s ARG 47 Ca -0.07 -0.27 0.08 0.00 -2.50 0.00 0.00 55.73 52.97 1y2g s ARG 47 Cb -0.04 -3.44 -0.02 0.00 0.06 0.00 0.00 34.95 31.51 1y2g s ARG 47 CO 0.00 0.18 0.33 -1.01 -2.50 0.00 0.00 175.30 172.31 1y2g s HIS 48 N 0.69 2.78 0.40 5.12 3.76 -1.26 -0.08 115.29 126.71 1y2g s HIS 48 Ca 0.07 -0.42 0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1y2g s HIS 48 Cb -0.12 -2.01 0.84 0.00 1.11 0.00 0.00 32.58 32.41 1y2g s HIS 48 CO 0.01 0.02 2.05 -0.07 -0.85 0.00 0.00 174.74 175.90 1y2g h LEU 49 N 1.14 0.50 -9.67 0.89 3.38 -1.65 -3.41 115.31 106.48 1y2g h LEU 49 Ca -0.43 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 56.88 1y2g h LEU 49 Cb 1.26 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 1y2g h LEU 49 CO 0.58 0.35 -0.51 -0.55 0.09 0.00 0.00 178.44 178.40 1y2g s SER 50 N -6.62 6.17 0.57 -0.43 0.15 -1.22 -5.01 113.70 107.31 1y2g s SER 50 Ca -0.08 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.16 1y2g s SER 50 Cb 0.18 -1.92 1.62 0.00 -1.71 0.00 0.00 66.02 64.19 1y2g s SER 50 CO 0.74 0.32 2.18 1.55 1.20 0.00 0.00 173.24 179.23 1y2g h PRO 51 N 4.36 0.00 -0.04 5.44 0.13 -1.90 -2.49 132.00 137.51 1y2g h PRO 51 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1y2g h PRO 51 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1y2g h PRO 51 CO 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 1y2g n ASP 52 N -4.04 0.85 0.00 1.44 3.85 -1.26 -4.91 116.55 112.47 1y2g n ASP 52 Ca -0.01 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.69 1y2g n ASP 52 Cb 0.16 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1y2g n ASP 52 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y2g n GLY 53 N 1.05 0.60 3.88 6.12 0.00 -0.94 -5.07 105.19 110.84 1y2g n GLY 53 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1y2g n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y2g s SER 54 N -2.99 6.34 0.00 1.61 1.04 -1.26 -4.88 113.70 113.55 1y2g s SER 54 Ca 0.00 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1y2g s SER 54 Cb 0.00 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1y2g s SER 54 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1y2g n GLY 55 N -2.20 -0.84 3.76 7.32 0.00 -1.26 -3.39 105.19 108.57 1y2g n GLY 55 Ca 0.04 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1y2g n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1y2g s PRO 56 N -1.34 2.87 0.15 1.61 0.04 -1.26 -4.72 135.00 132.35 1y2g s PRO 56 Ca 0.00 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1y2g s PRO 56 Cb 0.00 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 1y2g s PRO 56 CO 0.00 -1.25 1.01 0.00 0.04 0.00 0.00 177.00 176.80 1y2g s ALA 57 N -1.87 3.30 -0.19 8.56 0.00 -1.26 -2.48 121.76 127.82 1y2g s ALA 57 Ca 0.74 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 1y2g s ALA 57 Cb -0.27 -3.30 -0.21 0.00 0.00 0.00 0.00 23.12 19.35 1y2g s ALA 57 CO 0.36 -0.07 0.21 1.28 0.00 0.00 0.00 175.76 177.53 1y2g n LEU 58 N 2.53 2.12 -3.81 0.00 4.77 0.89 -4.77 117.00 118.73 1y2g n LEU 58 Ca 0.02 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1y2g n LEU 58 Cb 0.48 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1y2g n LEU 58 CO 0.52 0.48 0.20 0.72 -1.33 0.00 0.00 177.39 177.98 1y2g s PHE 59 N -2.43 0.03 0.29 -1.77 -0.12 -1.20 -4.56 117.98 108.22 1y2g s PHE 59 Ca -0.28 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.26 1y2g s PHE 59 Cb 0.07 0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 42.68 1y2g s PHE 59 CO 0.64 -0.88 0.02 -1.12 -0.05 0.00 0.00 175.22 173.83 1y2g s SER 60 N -2.90 2.29 -0.05 1.98 0.01 0.03 -0.56 113.70 114.49 1y2g s SER 60 Ca 0.12 -1.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.07 1y2g s SER 60 Cb 0.00 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.18 1y2g s SER 60 CO -0.02 -0.53 0.00 -0.22 0.41 0.00 0.00 173.24 172.89 1y2g s LEU 61 N -3.43 0.79 0.24 2.44 0.20 0.47 -1.16 118.68 118.23 1y2g s LEU 61 Ca 0.33 -0.04 0.08 0.00 0.69 0.00 0.00 54.13 55.19 1y2g s LEU 61 Cb 0.07 -0.32 -0.05 0.00 -0.43 0.00 0.00 46.19 45.45 1y2g s LEU 61 CO 0.13 -0.16 -0.13 0.00 -0.29 0.00 0.00 176.35 175.90 1y2g s ALA 62 N 1.57 2.26 0.34 5.97 0.00 -0.08 -1.51 121.76 130.31 1y2g s ALA 62 Ca -0.02 -1.77 -0.25 0.00 0.00 0.00 0.00 51.96 49.92 1y2g s ALA 62 Cb -0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 1y2g s ALA 62 CO -0.03 0.07 0.96 1.21 0.00 0.00 0.00 175.76 177.98 1y2g s ASN 63 N -3.39 7.21 0.33 0.00 3.04 0.48 -0.21 114.94 122.41 1y2g s ASN 63 Ca 0.26 1.86 0.14 0.00 0.04 0.00 0.00 52.86 55.16 1y2g s ASN 63 Cb -0.00 -2.58 0.57 0.00 -1.54 0.00 0.00 41.25 37.70 1y2g s ASN 63 CO 0.10 -0.16 1.71 0.24 -3.04 0.00 0.00 177.10 175.95 1y2g h MET 64 N 2.96 0.00 -6.30 0.43 2.86 -1.64 -3.36 114.93 109.88 1y2g h MET 64 Ca -0.47 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.60 1y2g h MET 64 Cb 1.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1y2g h MET 64 CO 0.64 0.47 1.08 0.08 1.06 0.00 0.00 176.91 180.25 1y2g s VAL 65 N -3.76 3.81 0.43 -2.22 1.01 -1.26 -4.78 120.40 113.64 1y2g s VAL 65 Ca -0.01 0.92 -0.24 0.00 0.00 0.00 0.00 61.98 62.64 1y2g s VAL 65 Cb 0.13 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1y2g s VAL 65 CO 0.72 -0.33 1.16 1.17 0.00 0.00 0.00 175.10 177.83 1y2g n LYS 66 N 7.53 1.63 0.00 2.72 0.00 -1.26 0.18 118.16 128.97 1y2g n LYS 66 Ca 0.18 0.59 0.00 0.00 0.00 0.00 0.00 58.31 59.07 1y2g n LYS 66 Cb 0.45 -2.24 0.00 0.00 0.00 0.00 0.00 35.03 33.24 1y2g n LYS 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1y2g n PRO 67 N -0.02 0.86 -0.13 1.64 -0.04 -1.26 -4.93 135.00 131.13 1y2g n PRO 67 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1y2g n PRO 67 Cb 0.40 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1y2g n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y2g n GLY 68 N 0.36 1.35 3.93 0.55 0.00 0.13 -4.98 105.19 106.53 1y2g n GLY 68 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1y2g n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2g s THR 69 N -2.64 2.30 0.20 2.61 -4.23 -1.26 -0.38 115.64 112.23 1y2g s THR 69 Ca 0.00 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1y2g s THR 69 Cb 0.00 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1y2g s THR 69 CO 0.00 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.73 1y2g s PHE 70 N -3.21 1.39 -0.29 3.99 0.40 -0.81 -4.67 117.98 114.78 1y2g s PHE 70 Ca 0.60 -0.99 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1y2g s PHE 70 Cb -0.10 -0.80 0.08 0.00 0.51 0.00 0.00 43.02 42.71 1y2g s PHE 70 CO 0.44 -0.15 0.02 0.34 0.70 0.00 0.00 175.22 176.57 1y2g s ASP 71 N -3.24 4.19 0.64 1.36 2.15 -1.26 -4.83 116.67 115.68 1y2g s ASP 71 Ca 0.27 -1.60 0.25 0.00 0.43 0.00 0.00 52.55 51.90 1y2g s ASP 71 Cb 0.06 -1.24 1.32 0.00 -0.30 0.00 0.00 42.92 42.76 1y2g s ASP 71 CO 0.07 -0.33 1.75 1.55 -0.17 0.00 0.00 175.17 178.04 1y2g h PRO 72 N 7.88 0.00 0.00 4.34 0.13 -2.00 0.35 132.00 142.70 1y2g h PRO 72 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1y2g h PRO 72 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1y2g h PRO 72 CO 0.46 0.00 -0.87 0.39 -0.23 0.00 0.00 178.00 177.75 1y2g n GLU 73 N -3.07 0.02 -2.92 0.86 1.02 -1.26 -4.66 120.64 110.63 1y2g n GLU 73 Ca 0.02 -0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.72 1y2g n GLU 73 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1y2g n GLU 73 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1y2g s MET 74 N -3.01 3.49 0.00 3.49 1.75 0.12 -4.81 119.30 120.33 1y2g s MET 74 Ca 0.08 -1.57 0.21 0.00 -1.25 0.00 0.00 55.69 53.16 1y2g s MET 74 Cb 0.16 -4.78 0.20 0.00 2.84 0.00 0.00 34.83 33.25 1y2g s MET 74 CO 0.82 -1.78 1.19 1.63 -0.65 0.00 0.00 175.02 176.23 1y2g n LYS 75 N 6.77 1.98 -3.35 4.11 4.01 -1.26 -4.70 118.16 125.72 1y2g n LYS 75 Ca 0.18 -1.81 -0.46 0.00 -0.51 0.00 0.00 58.31 55.71 1y2g n LYS 75 Cb 0.48 -1.41 -0.02 0.00 -0.51 0.00 0.00 35.03 33.57 1y2g n LYS 75 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1y2g s ASP 76 N -1.69 6.74 0.10 4.39 3.68 -1.26 -2.58 116.67 126.05 1y2g s ASP 76 Ca 0.26 -2.77 -0.27 0.00 2.13 0.00 0.00 52.55 51.90 1y2g s ASP 76 Cb 0.18 -2.19 0.08 0.00 -1.45 0.00 0.00 42.92 39.54 1y2g s ASP 76 CO 0.26 -0.54 1.08 0.72 0.13 0.00 0.00 175.17 176.82 1y2g s PHE 77 N 0.04 -0.09 0.12 -5.34 -0.12 -1.26 -5.06 117.98 106.27 1y2g s PHE 77 Ca 0.19 -0.14 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 1y2g s PHE 77 Cb -0.10 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1y2g s PHE 77 CO -0.09 -0.64 -0.02 0.95 -0.05 0.00 0.00 175.22 175.38 1y2g s THR 78 N -2.96 0.51 -0.04 -4.49 -4.23 -1.26 -0.19 115.64 102.97 1y2g s THR 78 Ca 0.13 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 58.45 1y2g s THR 78 Cb 0.01 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 72.03 1y2g s THR 78 CO 0.00 -0.68 0.57 0.28 -0.54 0.00 0.00 174.62 174.25 1y2g s THR 79 N -3.76 0.02 -0.41 3.99 -1.32 -1.13 -4.90 115.64 108.12 1y2g s THR 79 Ca 0.17 -0.14 0.24 0.00 -1.21 0.00 0.00 61.69 60.76 1y2g s THR 79 Cb 0.06 -0.89 0.26 0.00 -1.51 0.00 0.00 72.50 70.42 1y2g s THR 79 CO -0.01 -0.08 1.73 -0.65 -2.21 0.00 0.00 174.62 173.40 1y2g h PRO 80 N 3.25 0.00 0.00 7.08 0.11 -1.90 0.27 132.00 140.80 1y2g h PRO 80 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1y2g h PRO 80 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1y2g h PRO 80 CO 0.39 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1y2g n GLY 81 N -0.12 -1.12 3.24 -0.55 0.00 -1.26 -1.01 105.19 104.37 1y2g n GLY 81 Ca 0.02 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1y2g n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y2g s VAL 82 N -2.31 0.78 -0.08 1.61 -7.23 0.62 -1.70 120.40 112.09 1y2g s VAL 82 Ca 0.00 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1y2g s VAL 82 Cb 0.00 -2.01 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 1y2g s VAL 82 CO 0.00 -0.58 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.10 1y2g s THR 83 N -3.58 1.87 -0.17 5.32 2.01 0.71 -0.95 115.64 120.84 1y2g s THR 83 Ca 0.21 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1y2g s THR 83 Cb 0.05 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1y2g s THR 83 CO 0.02 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 1y2g s ILE 84 N 0.23 3.43 0.05 1.82 1.01 -0.14 -0.90 121.20 126.69 1y2g s ILE 84 Ca -0.13 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1y2g s ILE 84 Cb -0.16 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1y2g s ILE 84 CO 0.06 0.47 -0.06 0.72 0.00 0.00 0.00 174.94 176.14 1y2g s PHE 85 N 0.82 0.60 -0.04 3.97 -0.71 -0.31 -1.32 117.98 120.99 1y2g s PHE 85 Ca -0.02 -0.65 -0.01 0.00 -1.04 0.00 0.00 56.93 55.21 1y2g s PHE 85 Cb -0.15 -0.37 0.03 0.00 -1.21 0.00 0.00 43.02 41.32 1y2g s PHE 85 CO 0.01 -0.16 0.06 1.41 -1.34 0.00 0.00 175.22 175.21 1y2g s MET 86 N -2.25 -0.03 0.02 1.99 1.75 -0.10 -0.79 119.30 119.89 1y2g s MET 86 Ca -0.05 0.29 -0.22 0.00 -1.25 0.00 0.00 55.69 54.45 1y2g s MET 86 Cb -0.05 -0.31 -0.05 0.00 2.84 0.00 0.00 34.83 37.26 1y2g s MET 86 CO -0.02 -0.22 0.67 -1.14 -0.65 0.00 0.00 175.02 173.66 1y2g s GLN 87 N 1.46 4.40 0.05 4.11 2.00 -1.26 0.19 119.66 130.60 1y2g s GLN 87 Ca -0.05 0.88 0.06 0.00 -2.00 0.00 0.00 55.36 54.26 1y2g s GLN 87 Cb -0.12 -3.35 -0.02 0.00 0.80 0.00 0.00 33.01 30.31 1y2g s GLN 87 CO -0.04 0.33 -0.18 0.14 -0.50 0.00 0.00 175.29 175.05 1y2g s VAL 88 N -0.14 1.46 0.62 1.34 -7.23 0.54 -3.83 120.40 113.16 1y2g s VAL 88 Ca 0.34 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 1y2g s VAL 88 Cb -0.19 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1y2g s VAL 88 CO 0.20 0.10 1.32 -2.16 -0.31 0.00 0.00 175.10 174.24 1y2g s PRO 89 N -1.25 2.70 0.42 4.82 0.04 -1.26 -2.00 135.00 138.46 1y2g s PRO 89 Ca 0.05 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.25 1y2g s PRO 89 Cb -0.09 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1y2g s PRO 89 CO 0.02 -1.50 0.10 -1.54 0.04 0.00 0.00 177.00 174.11 1y2g s SER 90 N -1.26 3.02 0.54 6.66 1.04 -1.25 -5.07 113.70 117.37 1y2g s SER 90 Ca 0.80 -1.64 -0.17 0.00 0.48 0.00 0.00 55.95 55.42 1y2g s SER 90 Cb -0.39 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.11 1y2g s SER 90 CO 0.42 -0.88 1.01 -0.31 0.98 0.00 0.00 173.24 174.46 1y2g s TYR 91 N -3.15 3.29 0.00 5.02 1.51 -1.26 -4.81 117.35 117.95 1y2g s TYR 91 Ca 0.22 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 1y2g s TYR 91 Cb 0.03 -2.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.01 1y2g s TYR 91 CO 0.13 -0.61 0.00 0.41 -1.11 0.00 0.00 175.55 174.37 1y2g n GLY 92 N -1.32 -1.01 3.56 0.71 0.00 -1.26 -4.66 105.19 101.21 1y2g n GLY 92 Ca 0.07 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1y2g n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y2g s ASP 93 N -4.00 6.34 0.24 1.61 -1.08 -1.26 -4.97 116.67 113.55 1y2g s ASP 93 Ca 0.00 0.01 -0.05 0.00 -0.52 0.00 0.00 52.55 51.98 1y2g s ASP 93 Cb 0.00 -2.28 0.39 0.00 -1.46 0.00 0.00 42.92 39.57 1y2g s ASP 93 CO 0.00 -0.50 1.79 -0.33 0.52 0.00 0.00 175.17 176.64 1y2g h GLU 94 N 8.46 0.66 -0.49 4.34 3.07 -1.87 -0.55 114.58 128.20 1y2g h GLU 94 Ca -0.27 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.50 1y2g h GLU 94 Cb 1.12 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1y2g h GLU 94 CO 0.79 0.44 0.12 -0.07 -1.40 0.00 0.00 179.01 178.88 1y2g h LEU 95 N 0.68 0.75 -0.56 1.33 3.38 -1.97 0.26 115.31 119.18 1y2g h LEU 95 Ca 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1y2g h LEU 95 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1y2g h LEU 95 CO -0.27 0.79 0.21 1.56 0.09 0.00 0.00 178.44 180.81 1y2g h GLN 96 N 0.67 0.84 -0.90 1.13 4.20 -1.88 -1.51 115.11 117.66 1y2g h GLN 96 Ca 0.15 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1y2g h GLN 96 Cb 0.33 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1y2g h GLN 96 CO 0.00 0.74 0.59 -0.91 -0.67 0.00 0.00 178.83 178.59 1y2g h ASN 97 N 0.77 1.04 -0.44 1.46 2.35 -0.90 -0.82 115.58 119.04 1y2g h ASN 97 Ca 0.18 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1y2g h ASN 97 Cb 0.22 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1y2g h ASN 97 CO -0.01 0.75 0.25 0.15 -1.65 0.00 0.00 177.43 176.92 1y2g h PHE 98 N 1.22 0.59 -0.91 1.19 3.57 -0.54 0.92 116.94 122.99 1y2g h PHE 98 Ca 0.33 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1y2g h PHE 98 Cb -0.14 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 1y2g h PHE 98 CO 0.00 0.44 0.50 0.87 -2.23 0.00 0.00 178.31 177.88 1y2g h LYS 99 N 0.58 1.26 -0.29 1.11 1.57 -0.89 -1.52 116.57 118.39 1y2g h LYS 99 Ca 0.16 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1y2g h LYS 99 Cb 0.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1y2g h LYS 99 CO -0.03 0.92 -0.15 1.25 -0.57 0.00 0.00 179.45 180.87 1y2g h LEU 100 N 1.27 0.50 -0.18 2.94 5.85 -0.68 -0.48 115.31 124.53 1y2g h LEU 100 Ca 0.32 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1y2g h LEU 100 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1y2g h LEU 100 CO -0.05 0.68 0.09 0.24 -0.34 0.00 0.00 178.44 179.06 1y2g h MET 101 N 0.47 0.26 -0.40 1.25 2.86 -0.10 0.18 114.93 119.46 1y2g h MET 101 Ca 0.08 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1y2g h MET 101 Cb 0.54 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1y2g h MET 101 CO 0.03 0.29 0.17 -0.07 1.06 0.00 0.00 176.91 178.40 1y2g h LEU 102 N 0.17 0.53 -0.08 1.22 3.38 -1.01 0.19 115.31 119.71 1y2g h LEU 102 Ca 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y2g h LEU 102 Cb 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1y2g h LEU 102 CO -0.01 0.53 0.05 -0.61 0.09 0.00 0.00 178.44 178.50 1y2g h GLN 103 N 0.50 0.11 -0.45 1.13 4.15 -0.93 -1.40 115.11 118.22 1y2g h GLN 103 Ca 0.13 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.60 1y2g h GLN 103 Cb 0.16 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1y2g h GLN 103 CO -0.01 0.09 0.19 0.77 -1.93 0.00 0.00 178.83 177.94 1y2g h SER 104 N 0.09 0.23 -0.33 -0.69 0.02 -0.46 -0.56 113.55 111.84 1y2g h SER 104 Ca 0.03 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1y2g h SER 104 Cb 0.01 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1y2g h SER 104 CO -0.01 0.17 0.20 0.00 -1.14 0.00 0.00 176.83 176.05 1y2g h ALA 105 N 1.27 0.42 -0.00 3.77 0.00 -0.69 -1.64 119.26 122.39 1y2g h ALA 105 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1y2g h ALA 105 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1y2g h ALA 105 CO -0.19 -0.16 -0.56 0.37 0.00 0.00 0.00 179.25 178.72 1y2g h GLN 106 N 0.40 0.01 -0.54 0.00 5.75 -0.98 -0.02 115.11 119.73 1y2g h GLN 106 Ca 0.13 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1y2g h GLN 106 Cb -0.01 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1y2g h GLN 106 CO -0.06 0.56 0.17 1.25 -2.65 0.00 0.00 178.83 178.10 1y2g h HIS 107 N 0.01 0.86 -0.24 3.99 2.76 -0.76 0.13 115.15 121.90 1y2g h HIS 107 Ca -0.01 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.01 1y2g h HIS 107 Cb 0.99 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1y2g h HIS 107 CO 0.00 0.74 -0.10 0.82 -1.30 0.00 0.00 177.93 178.09 1y2g h ILE 108 N 0.74 1.30 -0.65 6.26 2.04 -1.09 -2.44 117.51 123.67 1y2g h ILE 108 Ca 0.17 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 64.98 1y2g h ILE 108 Cb 0.28 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 1y2g h ILE 108 CO -0.00 0.36 0.27 0.00 0.00 0.00 0.00 178.15 178.77 1y2g h ALA 109 N 0.73 0.86 -0.81 1.87 0.00 -0.74 -0.46 119.26 120.71 1y2g h ALA 109 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1y2g h ALA 109 Cb 0.59 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1y2g h ALA 109 CO 0.03 -0.15 0.41 -0.44 0.00 0.00 0.00 179.25 179.11 1y2g h ASP 110 N 0.47 1.05 -0.37 0.00 3.32 -0.57 0.30 116.42 120.63 1y2g h ASP 110 Ca 0.33 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1y2g h ASP 110 Cb 0.39 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1y2g h ASP 110 CO -0.30 0.87 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.52 1y2g h GLU 111 N 1.14 0.82 -0.01 3.56 4.39 -0.85 -3.27 114.58 120.36 1y2g h GLU 111 Ca 0.28 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1y2g h GLU 111 Cb 0.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1y2g h GLU 111 CO -0.04 1.02 -0.34 1.33 -1.16 0.00 0.00 179.01 179.82 1y2g n VAL 112 N -4.22 0.00 -2.71 3.13 0.24 -0.26 -4.95 118.33 109.55 1y2g n VAL 112 Ca -0.02 -0.15 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1y2g n VAL 112 Cb 0.46 0.63 0.02 0.00 -1.47 0.00 0.00 33.84 33.48 1y2g n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y2g n GLY 113 N 1.37 0.36 0.00 7.63 0.00 0.84 -4.78 105.19 110.61 1y2g n GLY 113 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1y2g n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2g n GLY 114 N -1.02 4.67 3.00 -0.02 0.00 0.13 -4.57 105.19 107.38 1y2g n GLY 114 Ca -0.02 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1y2g n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y2g s VAL 115 N 0.96 0.27 -0.10 1.61 0.11 -0.08 -4.68 120.40 118.49 1y2g s VAL 115 Ca 0.00 -0.93 -0.19 0.00 -2.93 0.00 0.00 61.98 57.93 1y2g s VAL 115 Cb 0.00 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1y2g s VAL 115 CO 0.00 -0.43 0.52 -0.69 -3.33 0.00 0.00 175.10 171.17 1y2g s VAL 116 N -1.35 5.15 0.16 2.04 1.01 -1.26 -0.93 120.40 125.22 1y2g s VAL 116 Ca -0.13 1.05 0.08 0.00 0.00 0.00 0.00 61.98 62.98 1y2g s VAL 116 Cb -0.09 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1y2g s VAL 116 CO -0.00 0.32 -0.18 -0.76 0.00 0.00 0.00 175.10 174.48 1y2g s LEU 117 N 0.59 2.44 0.00 3.92 1.43 0.25 -3.87 118.68 123.44 1y2g s LEU 117 Ca 0.28 -0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1y2g s LEU 117 Cb -0.16 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.30 1y2g s LEU 117 CO 0.12 -0.05 0.21 -0.90 0.23 0.00 0.00 176.35 175.96 1y2g n ASP 118 N 0.29 0.02 0.28 2.29 5.68 0.10 0.01 116.55 125.21 1y2g n ASP 118 Ca -0.13 -1.08 0.13 0.00 -0.50 0.00 0.00 54.79 53.21 1y2g n ASP 118 Cb 0.57 -0.16 0.79 0.00 -1.14 0.00 0.00 41.12 41.18 1y2g n ASP 118 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1y2g h ASP 119 N -0.27 0.00 -0.50 -1.12 2.03 -1.78 -1.06 116.42 113.72 1y2g h ASP 119 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1y2g h ASP 119 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1y2g h ASP 119 CO 0.05 0.07 0.00 0.00 -1.03 0.00 0.00 179.24 178.32 1y2g n GLN 120 N -3.83 2.17 -2.62 4.15 1.13 -1.26 -4.93 117.38 112.19 1y2g n GLN 120 Ca -0.02 -1.82 -0.16 0.00 -1.94 0.00 0.00 57.00 53.06 1y2g n GLN 120 Cb 0.16 -1.40 0.01 0.00 0.11 0.00 0.00 30.24 29.13 1y2g n GLN 120 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1y2g n ARG 121 N 0.98 -2.71 -4.27 -1.09 5.12 -0.40 -5.03 116.66 109.27 1y2g n ARG 121 Ca 0.17 0.68 -0.28 0.00 -1.93 0.00 0.00 57.85 56.49 1y2g n ARG 121 Cb 0.43 -5.01 -0.10 0.00 -1.16 0.00 0.00 32.46 26.62 1y2g n ARG 121 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1y2g s ARG 122 N -5.15 2.03 0.58 5.56 0.52 -1.26 -4.81 118.95 116.43 1y2g s ARG 122 Ca 0.14 -1.16 -0.20 0.00 -0.52 0.00 0.00 55.73 54.00 1y2g s ARG 122 Cb -0.06 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1y2g s ARG 122 CO 0.17 0.47 1.29 -1.64 0.02 0.00 0.00 175.30 175.61 1y2g s MET 123 N -2.46 2.95 0.39 3.54 -1.94 -1.26 0.00 119.30 120.52 1y2g s MET 123 Ca 0.22 2.05 -0.28 0.00 -1.71 0.00 0.00 55.69 55.98 1y2g s MET 123 Cb -0.10 -2.06 -0.11 0.00 2.01 0.00 0.00 34.83 34.58 1y2g s MET 123 CO 0.14 -1.28 1.47 -0.12 -0.01 0.00 0.00 175.02 175.21 1y2g n MET 124 N -1.41 2.58 -4.21 2.03 1.56 -1.25 -4.74 117.12 111.69 1y2g n MET 124 Ca 0.13 0.91 -0.15 0.00 -0.27 0.00 0.00 57.70 58.31 1y2g n MET 124 Cb 0.47 -2.64 -0.11 0.00 2.15 0.00 0.00 33.22 33.10 1y2g n MET 124 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1y2g s THR 125 N -1.13 1.09 0.28 1.12 -4.23 -1.26 -5.03 115.64 106.49 1y2g s THR 125 Ca 0.54 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1y2g s THR 125 Cb -0.48 -1.49 0.28 0.00 1.34 0.00 0.00 72.50 72.14 1y2g s THR 125 CO 0.63 -0.55 1.82 -0.65 -0.54 0.00 0.00 174.62 175.33 1y2g h PRO 126 N 3.42 0.90 -0.69 3.99 0.11 -1.99 -0.76 132.00 136.96 1y2g h PRO 126 Ca -0.38 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1y2g h PRO 126 Cb 1.19 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1y2g h PRO 126 CO 0.54 0.59 0.13 0.37 -0.21 0.00 0.00 178.00 179.43 1y2g h GLN 127 N 0.93 1.13 -0.47 1.05 5.75 -1.99 -2.12 115.11 119.38 1y2g h GLN 127 Ca 0.49 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1y2g h GLN 127 Cb 0.53 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1y2g h GLN 127 CO -0.28 1.02 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.66 1y2g h LYS 128 N 1.06 0.85 -0.91 1.69 1.63 -1.68 -1.39 116.57 117.82 1y2g h LYS 128 Ca 0.21 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1y2g h LYS 128 Cb 0.42 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 1y2g h LYS 128 CO 0.01 0.92 0.59 -0.07 -3.45 0.00 0.00 179.45 177.44 1y2g h LEU 129 N 0.70 1.06 -0.72 5.20 3.38 -1.03 -0.89 115.31 123.02 1y2g h LEU 129 Ca 0.13 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1y2g h LEU 129 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1y2g h LEU 129 CO 0.03 0.78 -0.02 0.03 0.09 0.00 0.00 178.44 179.35 1y2g h ARG 130 N 1.24 0.96 -0.66 1.13 3.08 -1.11 -2.36 114.38 116.66 1y2g h ARG 130 Ca 0.33 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1y2g h ARG 130 Cb -0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1y2g h ARG 130 CO -0.07 0.96 0.38 0.93 -1.07 0.00 0.00 179.97 181.10 1y2g h GLU 131 N 0.88 0.90 -0.26 0.04 5.08 -0.15 0.17 114.58 121.24 1y2g h GLU 131 Ca 0.16 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1y2g h GLU 131 Cb 0.54 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1y2g h GLU 131 CO 0.03 0.66 0.17 1.88 -1.00 0.00 0.00 179.01 180.75 1y2g h TYR 132 N 0.89 0.32 -0.46 4.33 0.99 -1.04 -1.58 116.97 120.42 1y2g h TYR 132 Ca 0.23 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.91 1y2g h TYR 132 Cb 0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.60 1y2g h TYR 132 CO -0.01 0.20 0.04 1.96 -0.00 0.00 0.00 178.16 180.35 1y2g h GLN 133 N 0.35 0.73 -0.34 4.88 4.20 -0.95 -1.73 115.11 122.25 1y2g h GLN 133 Ca 0.10 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1y2g h GLN 133 Cb -0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1y2g h GLN 133 CO -0.02 0.71 -0.23 -0.44 -0.67 0.00 0.00 178.83 178.18 1y2g h ASP 134 N 0.69 0.68 -0.39 1.46 3.32 -0.38 -0.95 116.42 120.85 1y2g h ASP 134 Ca 0.14 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1y2g h ASP 134 Cb 0.37 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1y2g h ASP 134 CO 0.01 0.90 0.09 0.40 -1.72 0.00 0.00 179.24 178.93 1y2g h ILE 135 N 0.59 1.23 -0.18 0.35 1.08 -0.92 -0.12 117.51 119.54 1y2g h ILE 135 Ca 0.08 -0.78 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1y2g h ILE 135 Cb 0.71 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1y2g h ILE 135 CO 0.05 0.27 0.11 0.40 -0.69 0.00 0.00 178.15 178.30 1y2g h ILE 136 N 0.49 1.07 -0.80 -0.67 2.04 -1.09 -1.23 117.51 117.32 1y2g h ILE 136 Ca 0.12 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1y2g h ILE 136 Cb 0.31 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1y2g h ILE 136 CO 0.00 0.07 0.46 -0.09 0.00 0.00 0.00 178.15 178.59 1y2g h ARG 137 N 0.22 1.10 -0.29 2.37 2.43 -1.05 -1.25 114.38 117.91 1y2g h ARG 137 Ca 0.07 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1y2g h ARG 137 Cb 0.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1y2g h ARG 137 CO -0.01 0.80 0.17 1.49 -1.51 0.00 0.00 179.97 180.91 1y2g h GLU 138 N 1.11 0.39 -0.81 0.20 4.81 -0.69 1.00 114.58 120.59 1y2g h GLU 138 Ca 0.28 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1y2g h GLU 138 Cb -0.00 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1y2g h GLU 138 CO -0.05 0.31 0.37 0.28 -0.73 0.00 0.00 179.01 179.20 1y2g h VAL 139 N 0.37 1.25 -0.17 0.32 2.07 -1.02 0.15 116.25 119.22 1y2g h VAL 139 Ca 0.10 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1y2g h VAL 139 Cb 0.02 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1y2g h VAL 139 CO -0.02 0.31 0.08 0.11 0.02 0.00 0.00 177.57 178.07 1y2g h LYS 140 N 1.15 0.25 -0.67 1.57 1.57 -0.78 -1.46 116.57 118.21 1y2g h LYS 140 Ca 0.28 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1y2g h LYS 140 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1y2g h LYS 140 CO -0.03 0.31 0.24 -0.44 -0.57 0.00 0.00 179.45 178.96 1y2g h ASP 141 N 0.14 0.93 0.46 0.86 3.32 -0.52 -2.37 116.42 119.24 1y2g h ASP 141 Ca 0.06 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1y2g h ASP 141 Cb 0.15 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1y2g h ASP 141 CO -0.01 0.84 -0.05 0.00 -1.72 0.00 0.00 179.24 178.30 1y2g h ALA 142 N 1.29 1.12 -0.14 3.45 0.00 -0.32 -2.20 119.26 122.46 1y2g h ALA 142 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y2g h ALA 142 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y2g h ALA 142 CO -0.02 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1y2g n ASN 143 N -3.32 2.96 0.00 0.00 4.13 -0.58 -4.92 115.26 113.52 1y2g n ASN 143 Ca -0.01 -1.91 0.13 0.00 1.68 0.00 0.00 54.58 54.46 1y2g n ASN 143 Cb 0.21 -0.08 0.74 0.00 -1.54 0.00 0.00 39.78 39.11 1y2g n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54