#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayv s GLN 0 N 0.00 3.02 0.00 -4.13 1.03 -1.26 -1.80 119.66 116.52 2ayv s GLN 0 Ca 0.00 -1.26 0.00 0.00 0.04 0.00 0.00 55.36 54.14 2ayv s GLN 0 Cb 0.00 -5.31 0.00 0.00 0.03 0.00 0.00 33.01 27.73 2ayv s GLN 0 CO 0.00 -3.25 0.00 0.41 -2.54 0.00 0.00 175.29 169.91 2ayv n GLY 1 N 5.95 -0.28 0.22 2.60 0.00 -1.26 -5.03 105.19 107.40 2ayv n GLY 1 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 2ayv n GLY 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ayv h ALA 2 N 0.00 0.41 -0.50 4.61 0.00 -1.51 -3.00 119.26 119.27 2ayv h ALA 2 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2ayv h ALA 2 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2ayv h ALA 2 CO 0.00 0.53 0.06 1.37 0.00 0.00 0.00 179.25 181.21 2ayv h LEU 3 N 0.50 0.82 -1.12 0.00 8.10 -1.89 -0.40 115.31 121.33 2ayv h LEU 3 Ca 0.02 -0.28 0.06 0.00 0.11 0.00 0.00 57.88 57.80 2ayv h LEU 3 Cb 1.02 -0.22 -0.06 0.00 -0.44 0.00 0.00 40.66 40.96 2ayv h LEU 3 CO 0.10 0.89 0.60 0.07 -4.11 0.00 0.00 178.44 175.99 2ayv h LYS 4 N 0.72 1.05 -0.11 0.17 5.09 -1.97 0.84 116.57 122.36 2ayv h LYS 4 Ca 0.15 -0.06 -0.22 0.00 0.09 0.00 0.00 60.65 60.60 2ayv h LYS 4 Cb 0.44 -0.24 0.01 0.00 0.10 0.00 0.00 32.23 32.54 2ayv h LYS 4 CO 0.01 0.69 -0.81 -0.09 -2.09 0.00 0.00 179.45 177.16 2ayv h ARG 5 N 1.08 0.69 -0.71 0.07 9.65 -1.30 -1.35 114.38 122.50 2ayv h ARG 5 Ca 0.39 -0.59 -0.07 0.00 -1.10 0.00 0.00 59.98 58.61 2ayv h ARG 5 Cb 0.15 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2ayv h ARG 5 CO -0.14 1.20 0.17 0.82 2.80 0.00 0.00 179.97 184.82 2ayv h ILE 6 N 0.45 1.26 -0.43 1.20 2.04 -0.84 -1.52 117.51 119.68 2ayv h ILE 6 Ca -0.06 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2ayv h ILE 6 Cb 1.44 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2ayv h ILE 6 CO 0.16 0.38 0.28 0.78 0.00 0.00 0.00 178.15 179.75 2ayv h ASN 7 N 1.07 0.49 -0.63 1.72 2.35 -0.80 0.85 115.58 120.63 2ayv h ASN 7 Ca 0.22 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2ayv h ASN 7 Cb 0.38 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 2ayv h ASN 7 CO 0.00 0.36 0.33 0.50 -1.65 0.00 0.00 177.43 176.97 2ayv h LYS 8 N 0.58 0.59 -0.09 0.81 1.63 -1.08 -2.16 116.57 116.86 2ayv h LYS 8 Ca 0.16 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.76 2ayv h LYS 8 Cb -0.07 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 2ayv h LYS 8 CO -0.04 0.39 -0.65 0.93 -3.45 0.00 0.00 179.45 176.63 2ayv h GLU 9 N 0.61 0.35 -0.45 1.90 5.08 -0.99 -2.70 114.58 118.38 2ayv h GLU 9 Ca 0.29 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2ayv h GLU 9 Cb 0.21 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2ayv h GLU 9 CO -0.20 0.88 0.24 -0.07 -1.00 0.00 0.00 179.01 178.87 2ayv h LEU 10 N 0.25 0.56 -1.48 1.33 -0.00 -0.59 -0.98 115.31 114.40 2ayv h LEU 10 Ca -0.01 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.74 2ayv h LEU 10 Cb 1.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 2ayv h LEU 10 CO 0.11 0.49 -0.05 -0.55 -0.00 0.00 0.00 178.44 178.44 2ayv h ASN 11 N 0.58 0.26 0.49 -0.43 -1.07 -1.32 -2.59 115.58 111.50 2ayv h ASN 11 Ca 0.16 -0.04 -0.29 0.00 0.07 0.00 0.00 56.30 56.19 2ayv h ASN 11 Cb 0.05 -0.07 -0.04 0.00 -2.07 0.00 0.00 38.32 36.20 2ayv h ASN 11 CO -0.03 0.35 -1.65 0.44 0.07 0.00 0.00 177.43 176.61 2ayv h ASP 12 N 0.27 0.10 0.37 6.14 3.32 -1.24 0.22 116.42 125.60 2ayv h ASP 12 Ca 0.06 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2ayv h ASP 12 Cb 0.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2ayv h ASP 12 CO 0.01 1.17 0.00 0.18 -1.72 0.00 0.00 179.24 178.88 2ayv n LEU 13 N -3.18 0.43 -0.10 1.55 4.32 -0.39 -0.42 117.00 119.20 2ayv n LEU 13 Ca -0.17 0.64 -0.24 0.00 -0.02 0.00 0.00 56.01 56.23 2ayv n LEU 13 Cb 1.04 -0.63 -0.12 0.00 -1.62 0.00 0.00 43.42 42.09 2ayv n LEU 13 CO 0.45 -0.62 -1.01 -1.54 -1.22 0.00 0.00 177.39 173.46 2ayv n SER 14 N -2.01 1.96 -0.14 -1.43 3.41 -0.98 -3.65 113.62 110.78 2ayv n SER 14 Ca 0.01 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 2ayv n SER 14 Cb 0.13 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 2ayv n SER 14 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2ayv h LYS 15 N -0.61 0.81 -2.10 4.33 3.64 -0.81 -3.39 116.57 118.43 2ayv h LYS 15 Ca -0.51 -0.31 -0.56 0.00 -1.27 0.00 0.00 60.65 57.99 2ayv h LYS 15 Cb 1.65 -0.04 -0.38 0.00 -0.41 0.00 0.00 32.23 33.05 2ayv h LYS 15 CO -0.20 0.93 -1.03 -3.47 -2.27 0.00 0.00 179.45 173.42 2ayv n ASP 16 N -4.30 -0.24 -4.76 4.20 2.03 0.44 -5.07 116.55 108.84 2ayv n ASP 16 Ca -0.01 -2.56 -0.37 0.00 0.52 0.00 0.00 54.79 52.37 2ayv n ASP 16 Cb 0.37 -0.52 0.02 0.00 -0.72 0.00 0.00 41.12 40.28 2ayv n ASP 16 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2ayv s PRO 17 N -0.57 3.22 0.44 -0.67 0.04 -1.24 -4.65 135.00 131.58 2ayv s PRO 17 Ca 0.34 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 2ayv s PRO 17 Cb 0.11 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2ayv s PRO 17 CO -0.15 -1.02 1.17 -2.14 0.04 0.00 0.00 177.00 174.89 2ayv s PRO 18 N -3.07 3.86 0.20 0.56 0.02 -1.26 -4.96 135.00 130.35 2ayv s PRO 18 Ca 0.72 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 2ayv s PRO 18 Cb -0.32 -2.50 -0.09 0.00 0.02 0.00 0.00 34.50 31.61 2ayv s PRO 18 CO 0.37 -0.47 1.40 0.99 -0.33 0.00 0.00 177.00 178.95 2ayv s THR 19 N -1.50 2.96 -1.85 0.99 2.01 -1.26 -2.46 115.64 114.53 2ayv s THR 19 Ca 0.61 0.76 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2ayv s THR 19 Cb -0.29 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.73 2ayv s THR 19 CO 0.36 0.10 0.00 0.59 -0.69 0.00 0.00 174.62 174.98 2ayv n ASN 20 N 2.91 -5.19 -4.05 3.53 3.02 -1.26 -4.97 115.26 109.25 2ayv n ASN 20 Ca 0.08 0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.88 2ayv n ASN 20 Cb 0.41 -4.28 -0.11 0.00 -0.61 0.00 0.00 39.78 35.19 2ayv n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ayv s SER 22 N -1.79 -0.25 -0.07 0.00 1.04 -0.04 -4.45 113.70 108.14 2ayv s SER 22 Ca -0.08 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 2ayv s SER 22 Cb -0.07 0.40 0.09 0.00 0.10 0.00 0.00 66.02 66.53 2ayv s SER 22 CO -0.01 -0.62 0.78 0.00 0.98 0.00 0.00 173.24 174.36 2ayv s ALA 23 N -2.29 -1.81 -0.07 5.32 0.00 -1.26 -0.41 121.76 121.24 2ayv s ALA 23 Ca -0.07 1.33 -0.32 0.00 0.00 0.00 0.00 51.96 52.91 2ayv s ALA 23 Cb -0.01 -0.13 0.13 0.00 0.00 0.00 0.00 23.12 23.10 2ayv s ALA 23 CO -0.01 -0.39 1.27 0.20 0.00 0.00 0.00 175.76 176.83 2ayv s GLY 24 N -1.33 -0.38 0.71 0.00 0.00 -0.78 -4.96 107.32 100.59 2ayv s GLY 24 Ca -0.07 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.44 2ayv s GLY 24 CO 0.05 0.24 1.17 -1.05 0.00 0.00 0.00 173.10 173.50 2ayv n PRO 25 N -0.38 0.68 -4.02 2.90 -0.02 -1.26 -1.62 135.00 131.28 2ayv n PRO 25 Ca -0.06 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 2ayv n PRO 25 Cb 0.62 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 2ayv n PRO 25 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ayv s VAL 26 N -1.71 2.16 0.00 -1.45 0.11 -0.41 -4.76 120.40 114.34 2ayv s VAL 26 Ca 0.77 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 2ayv s VAL 26 Cb -0.35 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 2ayv s VAL 26 CO 0.46 -0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 2ayv n GLY 27 N 4.35 -1.38 0.41 6.54 0.00 -1.26 -4.15 105.19 109.71 2ayv n GLY 27 Ca -0.02 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.38 2ayv n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ayv n ASP 28 N 0.10 1.17 -4.25 1.61 5.75 -1.26 -4.68 116.55 115.00 2ayv n ASP 28 Ca 0.00 -2.03 -0.43 0.00 -0.01 0.00 0.00 54.79 52.32 2ayv n ASP 28 Cb 0.00 -0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 39.86 2ayv n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ayv s ASP 29 N -0.92 6.16 0.55 -1.12 2.15 -1.26 -4.94 116.67 117.29 2ayv s ASP 29 Ca 0.13 -2.51 0.29 0.00 0.43 0.00 0.00 52.55 50.89 2ayv s ASP 29 Cb 0.07 -2.09 1.58 0.00 -0.30 0.00 0.00 42.92 42.18 2ayv s ASP 29 CO 0.08 -0.57 2.13 -0.03 -0.17 0.00 0.00 175.17 176.61 2ayv h MET 30 N 7.82 0.00 -0.01 4.34 1.85 -1.90 -2.27 114.93 124.76 2ayv h MET 30 Ca -0.02 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2ayv h MET 30 Cb 1.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.06 2ayv h MET 30 CO 0.79 0.08 0.00 1.19 -0.40 0.00 0.00 176.91 178.58 2ayv n PHE 31 N -3.64 0.01 -4.00 1.39 3.72 -1.26 -4.59 117.46 109.09 2ayv n PHE 31 Ca -0.02 -0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 2ayv n PHE 31 Cb 0.20 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.58 2ayv n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2ayv s HIS 32 N -1.99 2.89 0.32 1.38 2.46 -0.85 -0.30 115.29 119.18 2ayv s HIS 32 Ca 0.42 -2.13 0.08 0.00 0.47 0.00 0.00 55.06 53.90 2ayv s HIS 32 Cb 0.19 -1.87 -0.04 0.00 -0.13 0.00 0.00 32.58 30.74 2ayv s HIS 32 CO 0.33 -0.84 0.14 -1.58 -2.47 0.00 0.00 174.74 170.31 2ayv s TRP 33 N 1.23 2.77 0.15 3.88 0.52 -0.14 -1.28 118.94 126.06 2ayv s TRP 33 Ca -0.05 -0.31 0.07 0.00 0.02 0.00 0.00 56.10 55.83 2ayv s TRP 33 Cb -0.19 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 2ayv s TRP 33 CO -0.06 0.40 -0.16 -0.65 0.02 0.00 0.00 176.95 176.50 2ayv s GLN 34 N -3.83 1.18 0.04 4.98 -0.21 -0.64 -0.19 119.66 120.99 2ayv s GLN 34 Ca 0.36 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 54.39 2ayv s GLN 34 Cb -0.04 -1.11 -0.03 0.00 1.00 0.00 0.00 33.01 32.83 2ayv s GLN 34 CO 0.23 0.21 -0.06 0.00 -2.12 0.00 0.00 175.29 173.55 2ayv s ALA 35 N -2.26 0.48 -0.10 6.09 0.00 0.97 -1.86 121.76 125.07 2ayv s ALA 35 Ca 0.14 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.35 2ayv s ALA 35 Cb -0.04 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 2ayv s ALA 35 CO 0.05 -0.09 -0.22 0.95 0.00 0.00 0.00 175.76 176.45 2ayv s THR 36 N -1.70 2.26 -0.10 0.00 -4.23 0.45 0.53 115.64 112.85 2ayv s THR 36 Ca -0.09 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2ayv s THR 36 Cb -0.08 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.89 2ayv s THR 36 CO -0.01 0.56 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.79 2ayv s ILE 37 N 0.24 1.84 -0.01 2.99 1.01 0.78 -0.86 121.20 127.19 2ayv s ILE 37 Ca -0.15 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 2ayv s ILE 37 Cb -0.17 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2ayv s ILE 37 CO 0.07 0.51 0.76 -0.04 0.00 0.00 0.00 174.94 176.25 2ayv s MET 38 N 0.49 4.48 0.15 2.79 -1.94 0.30 -0.31 119.30 125.27 2ayv s MET 38 Ca -0.16 1.03 -0.34 0.00 -1.71 0.00 0.00 55.69 54.51 2ayv s MET 38 Cb -0.17 -3.41 -0.15 0.00 2.01 0.00 0.00 34.83 33.11 2ayv s MET 38 CO 0.06 0.15 1.35 0.41 -0.01 0.00 0.00 175.02 176.98 2ayv n GLY 39 N 2.76 0.55 3.77 -0.03 0.00 -0.24 -4.92 105.19 107.07 2ayv n GLY 39 Ca -0.01 0.61 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 2ayv n GLY 39 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ayv s PRO 40 N 0.17 3.85 0.30 1.61 0.02 -1.26 -3.74 135.00 135.94 2ayv s PRO 40 Ca 0.77 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 64.13 2ayv s PRO 40 Cb -0.81 -2.74 0.44 0.00 0.02 0.00 0.00 34.50 31.41 2ayv s PRO 40 CO 0.47 -0.66 1.91 0.93 -0.33 0.00 0.00 177.00 179.32 2ayv h GLU 41 N 2.56 0.95 -1.92 5.54 3.07 -1.93 -2.93 114.58 119.92 2ayv h GLU 41 Ca -0.50 -0.11 -0.35 0.00 -0.50 0.00 0.00 59.36 57.89 2ayv h GLU 41 Cb 1.25 -0.19 -0.13 0.00 -0.84 0.00 0.00 28.75 28.85 2ayv h GLU 41 CO 0.62 0.72 0.15 -0.40 -1.40 0.00 0.00 179.01 178.69 2ayv n ASP 42 N -4.36 6.04 -3.45 1.42 5.75 -1.26 -4.73 116.55 115.96 2ayv n ASP 42 Ca 0.07 -2.92 -0.12 0.00 -0.01 0.00 0.00 54.79 51.80 2ayv n ASP 42 Cb 0.11 -1.25 -0.02 0.00 -1.03 0.00 0.00 41.12 38.93 2ayv n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2ayv s SER 43 N 0.91 -0.52 0.00 -1.12 1.04 -1.12 -4.84 113.70 108.04 2ayv s SER 43 Ca 0.53 -0.02 0.17 0.00 0.48 0.00 0.00 55.95 57.10 2ayv s SER 43 Cb 0.32 0.58 1.00 0.00 0.10 0.00 0.00 66.02 68.02 2ayv s SER 43 CO -0.11 -0.94 1.42 -0.81 0.98 0.00 0.00 173.24 173.78 2ayv n PRO 44 N -0.32 0.51 0.00 4.02 -0.04 -1.26 -2.56 135.00 135.36 2ayv n PRO 44 Ca -0.17 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.42 2ayv n PRO 44 Cb 0.65 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.87 2ayv n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ayv n TYR 45 N -1.02 0.00 -1.57 0.54 4.01 -1.26 -3.30 117.16 114.56 2ayv n TYR 45 Ca 0.12 0.00 -0.58 0.00 -0.16 0.00 0.00 57.90 57.28 2ayv n TYR 45 Cb 0.06 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 38.99 2ayv n TYR 45 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ayv n SER 46 N 0.21 0.71 0.00 7.72 2.88 -1.06 -0.78 113.62 123.30 2ayv n SER 46 Ca 0.14 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2ayv n SER 46 Cb 0.44 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2ayv n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ayv n GLY 47 N 2.26 2.67 3.79 0.46 0.00 -1.25 -4.93 105.19 108.20 2ayv n GLY 47 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2ayv n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayv s GLY 48 N -1.79 2.32 -0.21 -0.02 0.00 0.04 -4.85 107.32 102.81 2ayv s GLY 48 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.26 2ayv s GLY 48 CO 0.00 0.86 -0.08 0.14 0.00 0.00 0.00 173.10 174.02 2ayv s VAL 49 N -2.20 1.56 -0.16 1.40 1.01 0.15 -1.08 120.40 121.08 2ayv s VAL 49 Ca 0.66 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2ayv s VAL 49 Cb -0.18 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2ayv s VAL 49 CO 0.31 0.09 -0.03 -0.36 0.00 0.00 0.00 175.10 175.10 2ayv s PHE 50 N 1.42 3.04 -0.05 5.22 0.08 0.58 -4.69 117.98 123.58 2ayv s PHE 50 Ca -0.02 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 2ayv s PHE 50 Cb -0.17 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2ayv s PHE 50 CO -0.08 -0.02 0.21 -0.06 -0.10 0.00 0.00 175.22 175.18 2ayv s PHE 51 N 0.35 3.60 0.04 0.36 0.08 -1.26 -0.16 117.98 120.98 2ayv s PHE 51 Ca -0.04 0.55 0.05 0.00 0.12 0.00 0.00 56.93 57.62 2ayv s PHE 51 Cb -0.14 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2ayv s PHE 51 CO 0.03 0.67 -0.15 -0.51 -0.10 0.00 0.00 175.22 175.16 2ayv s LEU 52 N -1.43 2.17 -0.14 -0.37 1.02 0.19 -0.58 118.68 119.53 2ayv s LEU 52 Ca 0.22 -0.47 -0.05 0.00 0.02 0.00 0.00 54.13 53.85 2ayv s LEU 52 Cb -0.13 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.40 2ayv s LEU 52 CO 0.11 0.04 0.04 0.21 0.02 0.00 0.00 176.35 176.78 2ayv s ASN 53 N -1.17 5.49 -0.06 2.29 2.47 0.91 -0.02 114.94 124.85 2ayv s ASN 53 Ca 0.02 0.11 0.03 0.00 0.42 0.00 0.00 52.86 53.45 2ayv s ASN 53 Cb -0.08 -1.81 0.01 0.00 -1.45 0.00 0.00 41.25 37.92 2ayv s ASN 53 CO 0.01 0.26 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.87 2ayv s ILE 54 N -0.15 1.31 -0.19 -5.21 1.01 0.74 -1.24 121.20 117.46 2ayv s ILE 54 Ca 0.06 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.12 2ayv s ILE 54 Cb -0.12 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.23 2ayv s ILE 54 CO 0.02 0.39 -0.09 -2.28 0.00 0.00 0.00 174.94 172.97 2ayv s HIS 55 N 0.42 2.24 0.06 3.97 2.46 0.16 -0.97 115.29 123.64 2ayv s HIS 55 Ca -0.11 -1.47 -0.30 0.00 0.47 0.00 0.00 55.06 53.65 2ayv s HIS 55 Cb -0.14 -1.56 -0.05 0.00 -0.13 0.00 0.00 32.58 30.69 2ayv s HIS 55 CO 0.04 -0.71 1.09 -0.06 -2.47 0.00 0.00 174.74 172.62 2ayv s PHE 56 N 1.45 3.57 0.70 3.88 0.08 0.58 -1.31 117.98 126.94 2ayv s PHE 56 Ca -0.01 1.53 -0.15 0.00 0.12 0.00 0.00 56.93 58.43 2ayv s PHE 56 Cb -0.16 -3.26 0.02 0.00 -0.57 0.00 0.00 43.02 39.05 2ayv s PHE 56 CO -0.08 -0.59 1.15 -1.25 -0.10 0.00 0.00 175.22 174.34 2ayv s PRO 57 N 0.71 2.47 0.50 0.24 0.04 -1.26 -4.89 135.00 132.82 2ayv s PRO 57 Ca 0.54 1.54 0.24 0.00 0.04 0.00 0.00 61.00 63.36 2ayv s PRO 57 Cb -0.26 -1.90 1.33 0.00 0.04 0.00 0.00 34.50 33.71 2ayv s PRO 57 CO 0.30 -1.53 1.95 0.66 0.04 0.00 0.00 177.00 178.42 2ayv h SER 58 N -0.17 0.10 -0.11 6.66 4.64 -1.98 -1.77 113.55 120.92 2ayv h SER 58 Ca -0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2ayv h SER 58 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ayv h SER 58 CO 0.52 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 177.00 2ayv n ASP 59 N -4.38 0.86 -4.71 4.97 8.00 -1.26 -1.47 116.55 118.55 2ayv n ASP 59 Ca 0.13 -1.69 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 2ayv n ASP 59 Cb 0.67 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.72 2ayv n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ayv n TYR 60 N -0.17 2.20 0.68 1.24 9.36 -0.67 -1.18 117.16 128.63 2ayv n TYR 60 Ca 0.12 0.49 0.06 0.00 3.32 0.00 0.00 57.90 61.88 2ayv n TYR 60 Cb 0.18 -2.38 0.17 0.00 -0.63 0.00 0.00 39.34 36.68 2ayv n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2ayv n PRO 61 N -0.07 2.05 0.20 2.98 -0.04 -1.26 -4.13 135.00 134.73 2ayv n PRO 61 Ca 0.07 -1.38 0.08 0.00 -0.04 0.00 0.00 63.50 62.23 2ayv n PRO 61 Cb 0.40 -1.39 0.32 0.00 -0.04 0.00 0.00 33.50 32.79 2ayv n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2ayv h PHE 62 N 2.14 0.00 -4.14 0.54 0.04 -1.53 -3.31 116.94 110.68 2ayv h PHE 62 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 2ayv h PHE 62 Cb 0.63 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 38.53 2ayv h PHE 62 CO 0.30 0.29 -0.85 0.15 -0.60 0.00 0.00 178.31 177.60 2ayv s LYS 63 N -3.44 1.87 0.73 1.51 1.02 -1.23 -4.85 119.74 115.35 2ayv s LYS 63 Ca 0.02 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 54.80 2ayv s LYS 63 Cb 0.09 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.39 2ayv s LYS 63 CO 0.67 0.52 1.10 -1.25 -0.92 0.00 0.00 175.35 175.47 2ayv s PRO 64 N -1.39 2.43 0.62 -1.68 0.04 -1.26 -4.46 135.00 129.30 2ayv s PRO 64 Ca 0.13 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 2ayv s PRO 64 Cb -0.10 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2ayv s PRO 64 CO 0.04 -1.53 1.21 -1.25 0.04 0.00 0.00 177.00 175.51 2ayv s PRO 65 N -4.56 2.83 -0.31 0.56 0.04 -1.26 -4.55 135.00 127.75 2ayv s PRO 65 Ca 0.64 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.33 2ayv s PRO 65 Cb -0.19 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2ayv s PRO 65 CO 0.50 -1.32 0.43 0.15 0.04 0.00 0.00 177.00 176.81 2ayv s LYS 66 N -3.45 3.80 -0.13 4.56 3.01 -0.42 -4.96 119.74 122.15 2ayv s LYS 66 Ca 0.77 -0.09 0.02 0.00 -1.01 0.00 0.00 55.97 55.66 2ayv s LYS 66 Cb -0.30 -3.73 0.00 0.00 -1.01 0.00 0.00 37.83 32.79 2ayv s LYS 66 CO 0.35 -0.45 -0.20 0.08 0.51 0.00 0.00 175.35 175.64 2ayv s VAL 67 N 2.19 2.30 -0.05 3.17 1.01 -1.26 -0.66 120.40 127.10 2ayv s VAL 67 Ca 0.16 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2ayv s VAL 67 Cb -0.16 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2ayv s VAL 67 CO 0.11 0.54 -0.09 0.20 0.00 0.00 0.00 175.10 175.86 2ayv s ASN 68 N 0.63 1.38 0.19 3.32 -0.87 -0.37 -4.30 114.94 114.92 2ayv s ASN 68 Ca -0.10 -0.22 -0.32 0.00 -1.57 0.00 0.00 52.86 50.65 2ayv s ASN 68 Cb -0.16 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.25 40.40 2ayv s ASN 68 CO 0.02 0.03 1.66 -0.36 -2.57 0.00 0.00 177.10 175.88 2ayv s PHE 69 N 0.55 2.96 -0.14 2.20 0.40 -0.02 -0.06 117.98 123.86 2ayv s PHE 69 Ca -0.10 0.45 0.18 0.00 -0.60 0.00 0.00 56.93 56.86 2ayv s PHE 69 Cb -0.13 -4.06 -0.24 0.00 0.51 0.00 0.00 43.02 39.10 2ayv s PHE 69 CO 0.02 -3.98 0.33 0.25 0.70 0.00 0.00 175.22 172.54 2ayv n THR 70 N 4.00 1.17 -2.64 0.64 -2.24 0.25 -4.07 114.28 111.39 2ayv n THR 70 Ca 0.15 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 2ayv n THR 70 Cb 0.36 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 2ayv n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2ayv s THR 71 N -2.73 4.67 0.46 4.28 2.01 -1.06 -4.97 115.64 118.28 2ayv s THR 71 Ca -0.08 1.92 -0.24 0.00 0.31 0.00 0.00 61.69 63.60 2ayv s THR 71 Cb 0.08 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 2ayv s THR 71 CO 0.84 0.12 1.35 -0.75 -0.69 0.00 0.00 174.62 175.49 2ayv s LYS 72 N 1.20 3.65 -0.25 4.92 2.20 -1.26 -4.87 119.74 125.33 2ayv s LYS 72 Ca 0.53 2.24 -0.26 0.00 -0.36 0.00 0.00 55.97 58.13 2ayv s LYS 72 Cb -0.22 -2.57 0.08 0.00 -1.51 0.00 0.00 37.83 33.60 2ayv s LYS 72 CO 0.27 -0.78 0.78 -1.50 -0.36 0.00 0.00 175.35 173.76 2ayv s ILE 73 N -1.27 0.00 -0.45 5.43 2.07 -1.26 -4.65 121.20 121.06 2ayv s ILE 73 Ca 0.62 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.76 2ayv s ILE 73 Cb -0.40 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.29 2ayv s ILE 73 CO 0.50 0.00 0.32 -0.47 -1.91 0.00 0.00 174.94 173.38 2ayv s TYR 74 N 0.21 3.35 -0.25 3.50 5.04 -1.26 -4.87 117.35 123.07 2ayv s TYR 74 Ca -0.00 -1.55 -0.20 0.00 -2.44 0.00 0.00 57.07 52.88 2ayv s TYR 74 Cb -0.05 -3.22 0.07 0.00 0.35 0.00 0.00 41.96 39.11 2ayv s TYR 74 CO 0.00 -0.90 0.64 -1.58 -1.34 0.00 0.00 175.55 172.37 2ayv s HIS 75 N 1.45 -0.79 0.34 4.97 2.46 -1.26 -4.65 115.29 117.80 2ayv s HIS 75 Ca 0.04 1.81 0.35 0.00 0.47 0.00 0.00 55.06 57.73 2ayv s HIS 75 Cb -0.25 0.34 1.67 0.00 -0.13 0.00 0.00 32.58 34.22 2ayv s HIS 75 CO 0.02 -0.39 2.11 -1.00 -2.47 0.00 0.00 174.74 173.01 2ayv h PRO 76 N 5.71 0.00 -0.60 2.88 0.13 -1.87 -2.96 132.00 135.28 2ayv h PRO 76 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2ayv h PRO 76 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ayv h PRO 76 CO 0.12 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.02 2ayv n ASN 77 N -3.23 4.18 -3.85 1.44 4.13 -1.26 -0.38 115.26 116.30 2ayv n ASN 77 Ca -0.01 -2.28 -0.19 0.00 1.68 0.00 0.00 54.58 53.78 2ayv n ASN 77 Cb 0.23 -0.49 -0.16 0.00 -1.54 0.00 0.00 39.78 37.81 2ayv n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2ayv s ILE 78 N -1.52 0.36 0.45 2.41 1.01 -1.12 -0.41 121.20 122.37 2ayv s ILE 78 Ca 0.45 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.15 2ayv s ILE 78 Cb 0.27 -0.43 0.05 0.00 0.01 0.00 0.00 42.46 42.37 2ayv s ILE 78 CO 0.25 0.19 0.42 -0.46 0.00 0.00 0.00 174.94 175.34 2ayv n ASN 79 N 4.21 2.20 -0.34 3.58 0.23 -0.98 -4.43 115.26 119.72 2ayv n ASN 79 Ca -0.23 -2.43 0.32 0.00 -0.53 0.00 0.00 54.58 51.70 2ayv n ASN 79 Cb 0.51 -0.12 0.66 0.00 -2.08 0.00 0.00 39.78 38.74 2ayv n ASN 79 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2ayv h SER 80 N 0.39 0.17 -0.21 0.53 0.02 -1.92 0.07 113.55 112.60 2ayv h SER 80 Ca -0.26 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2ayv h SER 80 Cb 1.02 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2ayv h SER 80 CO 0.40 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 2ayv n GLN 81 N -4.37 1.96 -0.99 3.45 6.02 -1.26 -4.93 117.38 117.26 2ayv n GLN 81 Ca 0.27 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.82 2ayv n GLN 81 Cb 1.15 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.98 2ayv n GLN 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayv n GLY 82 N 1.24 0.48 3.77 1.08 0.00 0.01 -4.74 105.19 107.03 2ayv n GLY 82 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2ayv n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ayv s ALA 83 N -2.06 3.41 -0.24 4.61 0.00 -1.26 -0.84 121.76 125.38 2ayv s ALA 83 Ca 0.00 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 2ayv s ALA 83 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2ayv s ALA 83 CO 0.00 -0.73 -0.07 0.42 0.00 0.00 0.00 175.76 175.39 2ayv s ILE 84 N -1.19 2.95 -0.75 0.00 1.01 -1.26 -2.33 121.20 119.63 2ayv s ILE 84 Ca 0.52 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 2ayv s ILE 84 Cb -0.39 -2.43 0.04 0.00 0.01 0.00 0.00 42.46 39.68 2ayv s ILE 84 CO 0.52 0.29 1.25 0.00 0.00 0.00 0.00 174.94 176.99 2ayv s LEU 86 N 5.44 1.08 0.24 0.00 2.96 -1.26 -4.92 118.68 122.22 2ayv s LEU 86 Ca 0.34 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 2ayv s LEU 86 Cb -0.09 -0.14 0.29 0.00 0.50 0.00 0.00 46.19 46.75 2ayv s LEU 86 CO 0.12 -0.12 1.87 0.44 -1.32 0.00 0.00 176.35 177.35 2ayv h ASP 87 N 7.33 0.92 0.84 3.68 3.32 -1.97 -0.80 116.42 129.73 2ayv h ASP 87 Ca -0.43 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2ayv h ASP 87 Cb 1.13 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2ayv h ASP 87 CO 0.46 0.62 0.00 2.30 -1.72 0.00 0.00 179.24 180.90 2ayv n ILE 88 N -4.56 0.74 1.44 0.35 -5.35 -1.26 -1.31 119.36 109.41 2ayv n ILE 88 Ca 0.11 0.12 0.14 0.00 -0.27 0.00 0.00 62.75 62.85 2ayv n ILE 88 Cb 0.11 -0.94 0.62 0.00 -1.74 0.00 0.00 39.64 37.68 2ayv n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2ayv n LEU 89 N -1.98 0.53 0.00 7.28 4.77 -0.31 -3.06 117.00 124.23 2ayv n LEU 89 Ca 0.04 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ayv n LEU 89 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2ayv n LEU 89 CO 0.21 0.10 0.00 0.29 -1.33 0.00 0.00 177.39 176.66 2ayv n LYS 90 N -0.88 0.00 0.24 3.23 5.02 -0.43 -4.82 118.16 120.53 2ayv n LYS 90 Ca 0.15 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.61 2ayv n LYS 90 Cb 0.27 0.00 0.81 0.00 -0.02 0.00 0.00 35.03 36.09 2ayv n LYS 90 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2ayv h ASP 91 N 0.00 0.00 -0.59 4.39 2.03 -1.86 -2.61 116.42 117.78 2ayv h ASP 91 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ayv h ASP 91 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2ayv h ASP 91 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 2ayv n GLN 92 N -2.72 2.64 -1.72 4.15 6.02 -0.74 -4.95 117.38 120.06 2ayv n GLN 92 Ca -0.01 -2.50 -0.42 0.00 -0.01 0.00 0.00 57.00 54.06 2ayv n GLN 92 Cb 0.14 -1.54 -0.00 0.00 1.02 0.00 0.00 30.24 29.86 2ayv n GLN 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 2ayv n TRP 93 N 1.54 2.48 -4.00 1.08 -0.00 -0.99 -4.70 117.44 112.85 2ayv n TRP 93 Ca 0.22 0.52 -0.11 0.00 -0.00 0.00 0.00 57.50 58.12 2ayv n TRP 93 Cb 0.61 -2.45 -0.12 0.00 -0.00 0.00 0.00 31.31 29.35 2ayv n TRP 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2ayv s SER 94 N -0.28 0.41 0.54 5.87 0.15 -1.26 -5.02 113.70 114.11 2ayv s SER 94 Ca 0.55 -0.38 0.34 0.00 0.70 0.00 0.00 55.95 57.16 2ayv s SER 94 Cb -0.54 0.05 1.86 0.00 -1.71 0.00 0.00 66.02 65.67 2ayv s SER 94 CO 0.62 -0.18 2.04 -0.65 1.20 0.00 0.00 173.24 176.27 2ayv h PRO 95 N 5.03 0.00 0.00 5.44 0.11 -1.89 -1.53 132.00 139.16 2ayv h PRO 95 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2ayv h PRO 95 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ayv h PRO 95 CO 0.44 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 2ayv n ALA 96 N -1.93 2.11 -1.70 -0.75 0.00 -1.26 -4.81 120.51 112.17 2ayv n ALA 96 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2ayv n ALA 96 Cb 0.11 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.20 2ayv n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ayv s LEU 97 N -4.24 2.60 0.21 0.00 1.43 -0.58 -5.09 118.68 113.01 2ayv s LEU 97 Ca 0.09 1.13 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2ayv s LEU 97 Cb 0.12 -3.74 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2ayv s LEU 97 CO 0.52 -1.85 0.06 0.42 0.23 0.00 0.00 176.35 175.74 2ayv s THR 98 N -3.30 0.50 0.29 5.49 -4.23 -1.26 -5.00 115.64 108.13 2ayv s THR 98 Ca 0.61 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2ayv s THR 98 Cb -0.13 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.39 2ayv s THR 98 CO 0.53 -0.21 1.74 -0.29 -0.54 0.00 0.00 174.62 175.85 2ayv h ILE 99 N 2.56 1.26 -0.19 2.99 6.09 -1.98 -1.65 117.51 126.59 2ayv h ILE 99 Ca -0.37 -1.25 0.05 0.00 -1.37 0.00 0.00 64.86 61.91 2ayv h ILE 99 Cb 1.23 1.39 -0.05 0.00 0.47 0.00 0.00 36.82 39.86 2ayv h ILE 99 CO 0.60 0.39 -0.15 -1.28 -3.07 0.00 0.00 178.15 174.65 2ayv h SER 100 N 0.36 -0.47 -0.76 2.19 0.87 -1.96 0.13 113.55 113.92 2ayv h SER 100 Ca 0.05 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2ayv h SER 100 Cb 0.66 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 2ayv h SER 100 CO 0.05 -0.19 0.49 0.11 -0.53 0.00 0.00 176.83 176.76 2ayv h LYS 101 N -0.15 0.94 -0.34 2.24 1.57 -1.90 -0.74 116.57 118.19 2ayv h LYS 101 Ca 0.11 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2ayv h LYS 101 Cb 0.32 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2ayv h LYS 101 CO -0.28 0.62 0.15 0.28 -0.57 0.00 0.00 179.45 179.65 2ayv h VAL 102 N 0.97 0.95 -0.75 0.50 2.07 -0.61 -1.00 116.25 118.38 2ayv h VAL 102 Ca 0.29 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 2ayv h VAL 102 Cb -0.03 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2ayv h VAL 102 CO -0.09 0.06 0.34 -0.07 0.02 0.00 0.00 177.57 177.82 2ayv h LEU 103 N 0.31 1.00 -0.50 2.57 3.38 -0.33 -1.18 115.31 120.56 2ayv h LEU 103 Ca 0.15 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ayv h LEU 103 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2ayv h LEU 103 CO -0.12 0.87 0.04 -0.07 0.09 0.00 0.00 178.44 179.25 2ayv h LEU 104 N 1.06 0.84 -1.32 1.67 3.38 -0.90 -1.05 115.31 118.99 2ayv h LEU 104 Ca 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ayv h LEU 104 Cb 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2ayv h LEU 104 CO -0.03 0.91 0.41 0.28 0.09 0.00 0.00 178.44 180.11 2ayv h SER 105 N 0.73 0.77 -0.21 -0.43 0.02 -1.04 -0.63 113.55 112.76 2ayv h SER 105 Ca 0.15 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2ayv h SER 105 Cb 0.46 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2ayv h SER 105 CO 0.02 0.57 0.05 0.40 -1.14 0.00 0.00 176.83 176.73 2ayv h ILE 106 N 0.90 1.20 -0.70 3.27 2.04 -0.87 0.20 117.51 123.55 2ayv h ILE 106 Ca 0.24 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.47 2ayv h ILE 106 Cb -0.07 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2ayv h ILE 106 CO -0.05 0.21 0.43 -1.28 0.00 0.00 0.00 178.15 177.46 2ayv h SER 107 N 0.16 0.70 -0.90 1.72 0.87 -0.96 -1.20 113.55 113.93 2ayv h SER 107 Ca 0.07 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2ayv h SER 107 Cb 0.27 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 2ayv h SER 107 CO 0.00 0.48 0.60 0.28 -0.53 0.00 0.00 176.83 177.66 2ayv h SER 108 N 0.83 1.01 -0.98 6.23 0.02 -0.99 -2.42 113.55 117.25 2ayv h SER 108 Ca 0.28 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2ayv h SER 108 Cb 0.04 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 2ayv h SER 108 CO -0.12 0.71 0.65 0.25 -1.14 0.00 0.00 176.83 177.18 2ayv h LEU 109 N 1.18 1.12 -0.75 5.07 5.85 0.08 0.25 115.31 128.11 2ayv h LEU 109 Ca 0.34 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2ayv h LEU 109 Cb -0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 2ayv h LEU 109 CO -0.09 0.80 0.41 -0.07 -0.34 0.00 0.00 178.44 179.15 2ayv h LEU 110 N 1.32 0.93 -0.21 2.25 3.38 -0.79 -2.37 115.31 119.83 2ayv h LEU 110 Ca 0.36 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 2ayv h LEU 110 Cb -0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 2ayv h LEU 110 CO -0.08 0.76 -0.08 0.74 0.09 0.00 0.00 178.44 179.87 2ayv h THR 111 N 1.03 1.30 -2.94 0.22 2.02 -1.15 -3.41 112.91 109.99 2ayv h THR 111 Ca 0.26 -1.12 -0.61 0.00 0.77 0.00 0.00 66.41 65.71 2ayv h THR 111 Cb 0.04 1.60 -0.40 0.00 -1.74 0.00 0.00 68.15 67.65 2ayv h THR 111 CO -0.04 0.34 -0.72 -1.81 0.37 0.00 0.00 175.52 173.65 2ayv s ASP 112 N -6.06 3.64 0.91 4.18 1.01 0.86 -4.93 116.67 116.28 2ayv s ASP 112 Ca -0.14 -3.12 -0.10 0.00 0.71 0.00 0.00 52.55 49.90 2ayv s ASP 112 Cb 0.06 -1.16 0.14 0.00 1.01 0.00 0.00 42.92 42.98 2ayv s ASP 112 CO 0.75 -0.19 1.14 -2.84 0.21 0.00 0.00 175.17 174.25 2ayv s PRO 113 N -0.31 1.07 -0.64 8.23 0.02 -0.90 -4.47 135.00 138.00 2ayv s PRO 113 Ca 0.23 1.52 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 2ayv s PRO 113 Cb -0.13 -1.74 0.16 0.00 0.02 0.00 0.00 34.50 32.82 2ayv s PRO 113 CO -0.09 -2.59 0.46 -0.80 -0.33 0.00 0.00 177.00 173.66 2ayv s ASN 114 N -2.71 5.21 0.57 2.53 0.02 -1.26 -4.95 114.94 114.34 2ayv s ASN 114 Ca 0.66 -2.98 0.34 0.00 -1.02 0.00 0.00 52.86 49.87 2ayv s ASN 114 Cb -0.22 -1.84 1.69 0.00 0.02 0.00 0.00 41.25 40.90 2ayv s ASN 114 CO 0.58 -0.33 2.12 1.55 0.02 0.00 0.00 177.10 181.04 2ayv h PRO 115 N 6.85 0.00 0.00 -0.60 0.13 -1.94 -2.11 132.00 134.33 2ayv h PRO 115 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ayv h PRO 115 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2ayv h PRO 115 CO 0.72 0.05 -0.24 -0.25 -0.23 0.00 0.00 178.00 178.05 2ayv n ASP 116 N -3.30 0.26 -3.21 1.44 8.00 -1.26 -4.01 116.55 114.46 2ayv n ASP 116 Ca -0.01 0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 2ayv n ASP 116 Cb 0.22 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2ayv n ASP 116 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ayv n ASP 117 N -1.53 3.47 -4.87 -2.24 2.03 -0.79 -5.11 116.55 107.50 2ayv n ASP 117 Ca 0.06 -3.43 -0.30 0.00 0.52 0.00 0.00 54.79 51.64 2ayv n ASP 117 Cb 0.34 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 2ayv n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2ayv s PRO 118 N -2.70 3.80 -0.01 -0.67 0.04 -1.26 -4.79 135.00 129.41 2ayv s PRO 118 Ca 0.43 0.51 0.22 0.00 0.04 0.00 0.00 61.00 62.19 2ayv s PRO 118 Cb 0.21 -2.38 -0.28 0.00 0.04 0.00 0.00 34.50 32.09 2ayv s PRO 118 CO -0.07 -0.04 0.62 1.28 0.04 0.00 0.00 177.00 178.82 2ayv n LEU 119 N -1.28 0.27 -3.69 -3.56 4.77 0.49 -4.82 117.00 109.18 2ayv n LEU 119 Ca 0.03 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 2ayv n LEU 119 Cb 0.54 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2ayv n LEU 119 CO 0.47 0.04 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.59 2ayv s VAL 120 N -3.39 1.02 0.27 4.08 1.01 -0.79 -4.83 120.40 117.77 2ayv s VAL 120 Ca -0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 61.98 59.95 2ayv s VAL 120 Cb 0.14 -1.74 0.32 0.00 0.00 0.00 0.00 36.38 35.10 2ayv s VAL 120 CO 0.89 -0.82 1.62 -0.65 0.00 0.00 0.00 175.10 176.14 2ayv h PRO 121 N 7.32 0.11 -0.54 2.72 0.11 -1.87 -1.58 132.00 138.27 2ayv h PRO 121 Ca -0.05 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2ayv h PRO 121 Cb 0.97 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2ayv h PRO 121 CO 0.45 0.07 0.24 1.49 -0.21 0.00 0.00 178.00 180.04 2ayv h GLU 122 N 0.11 0.79 -0.21 1.05 4.57 -1.98 -0.78 114.58 118.13 2ayv h GLU 122 Ca 0.50 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 2ayv h GLU 122 Cb 0.97 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 2ayv h GLU 122 CO -0.73 0.67 0.01 0.82 -1.18 0.00 0.00 179.01 178.60 2ayv h ILE 123 N 0.73 1.25 -0.58 2.32 2.04 -1.85 -1.67 117.51 119.75 2ayv h ILE 123 Ca 0.18 -0.85 0.10 0.00 1.00 0.00 0.00 64.86 65.29 2ayv h ILE 123 Cb 0.16 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2ayv h ILE 123 CO -0.02 0.26 0.17 0.00 0.00 0.00 0.00 178.15 178.56 2ayv h ALA 124 N 0.80 0.71 -0.34 1.87 0.00 -1.21 0.23 119.26 121.33 2ayv h ALA 124 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ayv h ALA 124 Cb 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ayv h ALA 124 CO 0.01 -0.25 0.07 1.25 0.00 0.00 0.00 179.25 180.32 2ayv h HIS 125 N 0.32 0.58 -0.71 0.00 -0.00 -1.03 -2.21 115.15 112.10 2ayv h HIS 125 Ca 0.30 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 2ayv h HIS 125 Cb 0.40 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 2ayv h HIS 125 CO -0.20 0.61 0.35 -0.07 -0.00 0.00 0.00 177.93 178.62 2ayv h LEU 126 N 0.39 0.90 -0.74 0.26 3.38 -0.99 -0.97 115.31 117.54 2ayv h LEU 126 Ca 0.10 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2ayv h LEU 126 Cb 0.33 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2ayv h LEU 126 CO 0.00 0.75 0.44 0.22 0.09 0.00 0.00 178.44 179.94 2ayv h TYR 127 N 1.00 0.81 0.06 1.13 3.20 -0.19 -0.42 116.97 122.55 2ayv h TYR 127 Ca 0.25 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.91 2ayv h TYR 127 Cb 0.08 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2ayv h TYR 127 CO 0.01 0.41 -1.09 0.87 -1.64 0.00 0.00 178.16 176.71 2ayv h LYS 128 N 0.81 0.13 0.00 1.82 6.56 -0.94 -3.32 116.57 121.62 2ayv h LYS 128 Ca 0.32 -0.21 -0.16 0.00 -1.06 0.00 0.00 60.65 59.54 2ayv h LYS 128 Cb 0.16 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 2ayv h LYS 128 CO -0.17 1.09 -1.90 -1.13 -2.06 0.00 0.00 179.45 175.28 2ayv n SER 129 N -3.45 1.35 -3.05 0.86 3.41 -0.41 -4.74 113.62 107.58 2ayv n SER 129 Ca -0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.41 2ayv n SER 129 Cb 0.97 1.22 -0.04 0.00 -0.26 0.00 0.00 64.21 66.10 2ayv n SER 129 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ayv n ASP 130 N -2.35 -1.67 0.23 4.04 -0.08 -0.18 -5.03 116.55 111.52 2ayv n ASP 130 Ca -0.15 -2.76 0.06 0.00 -1.51 0.00 0.00 54.79 50.43 2ayv n ASP 130 Cb 0.75 0.53 0.51 0.00 2.34 0.00 0.00 41.12 45.25 2ayv n ASP 130 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2ayv h ARG 131 N 4.85 0.00 0.00 -0.67 2.43 -1.65 -2.39 114.38 116.96 2ayv h ARG 131 Ca 0.10 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 2ayv h ARG 131 Cb 0.98 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2ayv h ARG 131 CO 0.27 0.18 -0.82 0.52 -1.51 0.00 0.00 179.97 178.61 2ayv h MET 132 N 0.00 0.00 0.24 0.20 2.86 -1.90 -0.91 114.93 115.41 2ayv h MET 132 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ayv h MET 132 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2ayv h MET 132 CO 0.02 0.82 -0.17 0.00 1.06 0.00 0.00 176.91 178.65 2ayv h ARG 133 N 0.00 -0.39 -0.44 1.72 -0.00 -1.77 0.18 114.38 113.68 2ayv h ARG 133 Ca -0.01 0.03 0.09 0.00 -0.50 0.00 0.00 59.98 59.58 2ayv h ARG 133 Cb 1.51 0.09 -0.08 0.00 0.00 0.00 0.00 29.97 31.50 2ayv h ARG 133 CO 0.11 -0.26 -0.02 -0.92 0.00 0.00 0.00 179.97 178.88 2ayv h TYR 134 N -0.40 -0.07 -0.54 3.04 3.20 -1.46 -1.68 116.97 119.05 2ayv h TYR 134 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2ayv h TYR 134 Cb 0.35 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 2ayv h TYR 134 CO -0.10 -0.12 0.34 0.22 -1.64 0.00 0.00 178.16 176.86 2ayv h ASP 135 N 0.09 0.56 -0.33 -2.11 1.82 -0.99 0.12 116.42 115.59 2ayv h ASP 135 Ca 0.22 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.83 2ayv h ASP 135 Cb 0.33 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2ayv h ASP 135 CO -0.39 0.40 0.09 -0.61 -1.61 0.00 0.00 179.24 177.12 2ayv h GLN 136 N 0.68 0.51 -0.41 0.28 5.75 -0.68 -1.14 115.11 120.10 2ayv h GLN 136 Ca 0.21 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2ayv h GLN 136 Cb -0.01 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2ayv h GLN 136 CO -0.08 0.57 0.25 1.15 -2.65 0.00 0.00 178.83 178.06 2ayv h THR 137 N 0.37 1.13 -0.67 2.39 2.02 -1.07 0.11 112.91 117.19 2ayv h THR 137 Ca 0.10 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.04 2ayv h THR 137 Cb 0.28 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2ayv h THR 137 CO -0.00 0.13 0.37 0.00 0.37 0.00 0.00 175.52 176.39 2ayv h ALA 138 N 1.11 0.90 -0.22 6.16 0.00 -0.64 0.96 119.26 127.53 2ayv h ALA 138 Ca 0.15 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ayv h ALA 138 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2ayv h ALA 138 CO -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.24 2ayv h ARG 139 N 0.68 0.04 -0.39 0.00 3.08 -0.81 0.12 114.38 117.09 2ayv h ARG 139 Ca 0.30 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.36 2ayv h ARG 139 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2ayv h ARG 139 CO -0.19 0.03 0.24 0.93 -1.07 0.00 0.00 179.97 179.91 2ayv h GLU 140 N 0.04 0.48 -0.36 0.04 5.08 0.02 -1.84 114.58 118.03 2ayv h GLU 140 Ca 0.10 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2ayv h GLU 140 Cb 0.14 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2ayv h GLU 140 CO -0.20 0.32 -0.09 -1.49 -1.00 0.00 0.00 179.01 176.55 2ayv h TRP 141 N 0.49 0.79 -0.79 4.33 4.06 -0.74 0.13 115.95 124.22 2ayv h TRP 141 Ca 0.15 -0.17 0.13 0.00 2.06 0.00 0.00 58.89 61.05 2ayv h TRP 141 Cb -0.03 -0.19 -0.09 0.00 -1.00 0.00 0.00 29.16 27.85 2ayv h TRP 141 CO -0.06 0.85 0.39 0.77 -3.56 0.00 0.00 178.44 176.83 2ayv h SER 142 N 0.50 0.47 -0.26 -3.49 0.02 -0.58 0.95 113.55 111.16 2ayv h SER 142 Ca 0.09 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2ayv h SER 142 Cb 0.60 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2ayv h SER 142 CO 0.04 0.22 -0.11 -0.61 -1.14 0.00 0.00 176.83 175.23 2ayv h GLN 143 N 0.59 0.54 -0.10 3.45 5.75 -1.11 -1.04 115.11 123.19 2ayv h GLN 143 Ca 0.42 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 2ayv h GLN 143 Cb 0.55 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2ayv h GLN 143 CO -0.34 0.78 -0.19 0.87 -2.65 0.00 0.00 178.83 177.30 2ayv h LYS 144 N 0.27 0.31 0.00 1.69 6.56 -0.63 -3.39 116.57 121.38 2ayv h LYS 144 Ca 0.06 -0.20 -0.03 0.00 -1.06 0.00 0.00 60.65 59.43 2ayv h LYS 144 Cb 0.61 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2ayv h LYS 144 CO 0.04 0.79 -1.81 0.66 -2.06 0.00 0.00 179.45 177.06 2ayv n TYR 145 N -4.54 0.00 0.19 -1.35 4.01 0.30 -5.09 117.16 110.68 2ayv n TYR 145 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2ayv n TYR 145 Cb 0.40 -0.43 0.02 0.00 -0.31 0.00 0.00 39.34 39.02 2ayv n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40