#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypy h SER 6 N 0.00 0.00 0.05 0.00 4.64 -2.05 -3.27 113.55 112.92 1ypy h SER 6 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ypy h SER 6 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ypy h SER 6 CO 0.00 0.00 -0.03 -0.29 -0.87 0.00 0.00 176.83 175.64 1ypy h ILE 7 N 0.00 1.02 -0.88 0.95 2.10 -2.00 -2.75 117.51 115.94 1ypy h ILE 7 Ca 0.00 -0.23 0.03 0.00 1.08 0.00 0.00 64.86 65.74 1ypy h ILE 7 Cb 0.11 1.17 -0.05 0.00 -1.09 0.00 0.00 36.82 36.95 1ypy h ILE 7 CO 0.00 0.06 0.57 -0.61 -1.08 0.00 0.00 178.15 177.09 1ypy h GLN 8 N -0.17 1.08 -0.52 2.19 5.75 -1.97 0.17 115.11 121.64 1ypy h GLN 8 Ca -0.01 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 1ypy h GLN 8 Cb 0.15 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1ypy h GLN 8 CO 0.01 0.71 0.15 1.15 -2.65 0.00 0.00 178.83 178.20 1ypy h THR 9 N 1.11 1.24 -0.36 2.39 2.02 -1.66 -0.81 112.91 116.83 1ypy h THR 9 Ca 0.35 -0.81 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 1ypy h THR 9 Cb 0.00 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1ypy h THR 9 CO -0.12 0.30 -0.41 0.74 0.37 0.00 0.00 175.52 176.40 1ypy h THR 10 N 0.71 1.27 -0.22 3.16 2.02 -1.09 -1.72 112.91 117.04 1ypy h THR 10 Ca 0.16 -1.58 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 1ypy h THR 10 Cb 0.30 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1ypy h THR 10 CO -0.00 0.53 -0.23 0.58 0.37 0.00 0.00 175.52 176.76 1ypy h VAL 11 N 0.73 1.25 -0.10 3.16 2.07 -0.53 0.14 116.25 122.98 1ypy h VAL 11 Ca 0.05 -1.19 -0.19 0.00 0.82 0.00 0.00 66.70 66.20 1ypy h VAL 11 Cb 0.99 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ypy h VAL 11 CO 0.10 0.37 -0.73 0.78 0.02 0.00 0.00 177.57 178.11 1ypy h ASN 12 N 0.37 0.57 -0.40 0.57 2.35 -1.05 0.52 115.58 118.52 1ypy h ASN 12 Ca 0.06 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.36 1ypy h ASN 12 Cb 0.61 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1ypy h ASN 12 CO 0.04 1.12 -0.05 0.74 -1.65 0.00 0.00 177.43 177.64 1ypy h THR 13 N 0.33 1.27 -0.24 2.81 2.02 -0.91 -1.02 112.91 117.17 1ypy h THR 13 Ca -0.03 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1ypy h THR 13 Cb 1.32 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1ypy h THR 13 CO 0.13 0.37 0.09 0.25 0.37 0.00 0.00 175.52 176.73 1ypy h LEU 14 N 0.55 0.34 -0.47 2.58 5.85 -0.63 -1.04 115.31 122.50 1ypy h LEU 14 Ca 0.11 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1ypy h LEU 14 Cb 0.55 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1ypy h LEU 14 CO 0.03 0.44 0.21 -1.28 -0.34 0.00 0.00 178.44 177.49 1ypy h SER 15 N 0.23 0.26 0.14 1.25 0.87 -0.75 0.12 113.55 115.67 1ypy h SER 15 Ca 0.08 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 1ypy h SER 15 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1ypy h SER 15 CO -0.00 0.19 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.71 1ypy h GLU 16 N 0.41 0.37 -0.07 2.24 4.39 -1.05 -2.01 114.58 118.86 1ypy h GLU 16 Ca 0.22 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1ypy h GLU 16 Cb 0.18 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1ypy h GLU 16 CO -0.19 0.75 -0.58 -0.09 -1.16 0.00 0.00 179.01 177.74 1ypy h ARG 17 N 0.31 0.23 -0.16 2.33 9.65 -0.56 -1.88 114.38 124.29 1ypy h ARG 17 Ca 0.02 -0.15 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 1ypy h ARG 17 Cb 0.91 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1ypy h ARG 17 CO 0.08 0.74 -0.12 0.82 2.80 0.00 0.00 179.97 184.29 1ypy h ILE 18 N 0.17 1.33 -0.39 1.20 2.04 -0.60 -1.47 117.51 119.80 1ypy h ILE 18 Ca -0.00 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1ypy h ILE 18 Cb 1.07 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1ypy h ILE 18 CO 0.09 0.37 0.25 0.28 0.00 0.00 0.00 178.15 179.13 1ypy h SER 19 N 0.03 0.45 -0.58 1.72 0.02 -1.32 -0.71 113.55 113.15 1ypy h SER 19 Ca 0.03 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1ypy h SER 19 Cb 0.63 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1ypy h SER 19 CO 0.03 0.35 0.27 -1.28 -1.14 0.00 0.00 176.83 175.06 1ypy h SER 20 N 0.52 0.78 -0.58 3.07 0.87 -1.35 -1.86 113.55 114.99 1ypy h SER 20 Ca 0.14 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1ypy h SER 20 Cb -0.03 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1ypy h SER 20 CO -0.03 0.70 0.06 0.11 -0.53 0.00 0.00 176.83 177.14 1ypy h LYS 21 N 0.80 1.02 -0.78 2.24 1.79 -1.02 0.62 116.57 121.24 1ypy h LYS 21 Ca 0.20 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1ypy h LYS 21 Cb 0.14 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1ypy h LYS 21 CO -0.02 0.96 0.38 -0.07 -1.08 0.00 0.00 179.45 179.62 1ypy h LEU 22 N 0.94 1.01 -0.08 2.94 3.38 -0.86 0.47 115.31 123.12 1ypy h LEU 22 Ca 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ypy h LEU 22 Cb 0.47 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ypy h LEU 22 CO 0.02 0.85 -0.06 -0.08 0.09 0.00 0.00 178.44 179.26 1ypy h GLU 23 N 1.09 0.19 0.00 1.13 4.81 -1.03 0.14 114.58 120.92 1ypy h GLU 23 Ca 0.27 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.25 1ypy h GLU 23 Cb 0.10 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1ypy h GLU 23 CO -0.04 0.59 -0.75 1.96 -0.73 0.00 0.00 179.01 180.05 1ypy h GLN 24 N -0.22 0.00 0.00 1.92 1.08 -0.76 -3.07 115.11 114.06 1ypy h GLN 24 Ca 0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ypy h GLN 24 Cb 0.55 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1ypy h GLN 24 CO 0.02 0.75 -1.39 0.39 -0.95 0.00 0.00 178.83 177.65 1ypy n GLU 25 N -3.57 0.32 -0.02 1.46 -0.58 0.17 -4.67 120.64 113.74 1ypy n GLU 25 Ca -0.00 -0.07 0.01 0.00 -0.42 0.00 0.00 57.16 56.67 1ypy n GLU 25 Cb 0.74 -1.20 0.02 0.00 -0.57 0.00 0.00 31.44 30.44 1ypy n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ypy n ALA 26 N -1.80 2.14 -3.76 0.62 0.00 -0.07 -4.89 120.51 112.75 1ypy n ALA 26 Ca -0.02 -0.90 -0.26 0.00 0.00 0.00 0.00 53.44 52.26 1ypy n ALA 26 Cb 0.23 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.66 1ypy n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ypy n ASN 27 N -0.23 -4.51 -4.91 0.00 5.15 -0.80 -4.62 115.26 105.33 1ypy n ASN 27 Ca 0.02 -0.70 -0.27 0.00 -0.60 0.00 0.00 54.58 53.02 1ypy n ASN 27 Cb 0.22 -4.34 -0.02 0.00 -0.53 0.00 0.00 39.78 35.11 1ypy n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ypy s ALA 28 N -3.37 3.60 0.06 5.20 0.00 -0.58 -4.74 121.76 121.94 1ypy s ALA 28 Ca 0.49 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 1ypy s ALA 28 Cb -0.24 -2.31 0.08 0.00 0.00 0.00 0.00 23.12 20.66 1ypy s ALA 28 CO 0.79 0.09 0.73 -1.54 0.00 0.00 0.00 175.76 175.83 1ypy s SER 29 N -3.51 -0.50 0.53 0.00 1.04 -1.07 -4.25 113.70 105.94 1ypy s SER 29 Ca 0.44 0.11 0.27 0.00 0.48 0.00 0.00 55.95 57.24 1ypy s SER 29 Cb -0.10 0.50 1.47 0.00 0.10 0.00 0.00 66.02 67.98 1ypy s SER 29 CO 0.34 -0.77 2.09 0.00 0.98 0.00 0.00 173.24 175.88 1ypy h ALA 30 N 2.15 1.35 0.00 5.32 0.00 -1.90 -2.51 119.26 123.68 1ypy h ALA 30 Ca -0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ypy h ALA 30 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ypy h ALA 30 CO 0.35 0.13 -0.40 1.04 0.00 0.00 0.00 179.25 180.38 1ypy n GLN 31 N -3.73 0.18 -2.44 0.00 3.00 -1.26 -4.90 117.38 108.23 1ypy n GLN 31 Ca -0.02 0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 1ypy n GLN 31 Cb 0.22 -1.64 -0.04 0.00 0.00 0.00 0.00 30.24 28.78 1ypy n GLN 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ypy s THR 32 N -3.09 3.77 0.03 5.09 2.01 -0.95 -4.99 115.64 117.50 1ypy s THR 32 Ca 0.09 1.46 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1ypy s THR 32 Cb 0.15 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1ypy s THR 32 CO 0.67 0.22 1.09 -0.75 -0.69 0.00 0.00 174.62 175.16 1ypy s LYS 33 N -0.10 4.49 0.06 4.92 2.47 -1.26 -4.58 119.74 125.75 1ypy s LYS 33 Ca 0.52 1.59 -0.24 0.00 -1.56 0.00 0.00 55.97 56.28 1ypy s LYS 33 Cb -0.31 -3.41 -0.06 0.00 -1.46 0.00 0.00 37.83 32.60 1ypy s LYS 33 CO 0.35 -0.16 0.74 0.00 0.16 0.00 0.00 175.35 176.44 1ypy h ASP 35 N 5.42 0.68 -3.75 0.00 -0.00 -1.90 -3.43 116.42 113.44 1ypy h ASP 35 Ca -0.45 -0.75 -0.68 0.00 -0.00 0.00 0.00 57.03 55.15 1ypy h ASP 35 Cb 1.21 -0.21 -0.25 0.00 -0.00 0.00 0.00 39.33 40.08 1ypy h ASP 35 CO 0.70 1.35 -0.77 -0.63 -0.00 0.00 0.00 179.24 179.88 1ypy s ILE 36 N -3.24 3.02 0.23 2.25 1.01 -0.92 -4.78 121.20 118.77 1ypy s ILE 36 Ca -0.12 -0.71 0.11 0.00 0.00 0.00 0.00 60.65 59.93 1ypy s ILE 36 Cb 0.05 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1ypy s ILE 36 CO 0.86 0.56 -0.21 -1.61 0.00 0.00 0.00 174.94 174.55 1ypy s GLU 37 N -0.29 1.55 -0.30 2.79 2.02 -0.00 -4.34 118.70 120.13 1ypy s GLU 37 Ca 0.02 -1.62 -0.19 0.00 0.02 0.00 0.00 54.97 53.19 1ypy s GLU 37 Cb -0.13 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 1ypy s GLU 37 CO 0.03 0.34 0.58 0.42 0.02 0.00 0.00 175.26 176.64 1ypy s ILE 38 N -2.17 4.98 -0.05 -1.63 -1.09 -1.26 -0.91 121.20 119.07 1ypy s ILE 38 Ca 0.24 0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 59.27 1ypy s ILE 38 Cb -0.06 -3.95 -0.31 0.00 -1.58 0.00 0.00 42.46 36.56 1ypy s ILE 38 CO 0.11 -0.10 0.77 1.23 -1.23 0.00 0.00 174.94 175.73 1ypy h GLY 39 N 9.05 0.42 -5.18 6.18 0.00 -1.15 -3.47 103.07 108.92 1ypy h GLY 39 Ca -0.27 -1.07 -0.18 0.00 0.00 0.00 0.00 47.33 45.81 1ypy h GLY 39 CO 0.77 0.93 -0.57 -1.31 0.00 0.00 0.00 176.54 176.37 1ypy s ASN 40 N -7.21 -0.03 -0.21 0.19 0.01 -1.25 -5.03 114.94 101.40 1ypy s ASN 40 Ca -0.15 0.01 -0.04 0.00 -0.71 0.00 0.00 52.86 51.97 1ypy s ASN 40 Cb 0.04 0.22 0.09 0.00 0.41 0.00 0.00 41.25 42.00 1ypy s ASN 40 CO 0.85 -0.18 0.17 0.12 -1.51 0.00 0.00 177.10 176.55 1ypy s PHE 41 N -0.57 -0.06 0.23 2.20 5.36 -1.26 -0.58 117.98 123.30 1ypy s PHE 41 Ca -0.07 -0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 55.61 1ypy s PHE 41 Cb -0.04 -0.55 0.01 0.00 -0.34 0.00 0.00 43.02 42.10 1ypy s PHE 41 CO 0.00 -0.62 0.53 1.52 -1.46 0.00 0.00 175.22 175.19 1ypy s TYR 42 N 2.24 0.05 -0.14 10.12 -0.85 -0.90 -5.00 117.35 122.87 1ypy s TYR 42 Ca 0.06 -0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.16 1ypy s TYR 42 Cb -0.16 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.52 1ypy s TYR 42 CO -0.16 -0.99 -0.08 0.42 -1.52 0.00 0.00 175.55 173.22 1ypy s ILE 43 N -3.93 3.53 0.04 -3.49 -1.09 -1.26 -2.07 121.20 112.93 1ypy s ILE 43 Ca 0.14 -0.49 -0.24 0.00 -2.23 0.00 0.00 60.65 57.82 1ypy s ILE 43 Cb -0.02 -2.51 -0.17 0.00 -1.58 0.00 0.00 42.46 38.18 1ypy s ILE 43 CO 0.03 0.51 1.54 0.03 -1.23 0.00 0.00 174.94 175.82 1ypy h ARG 44 N 6.61 -0.05 -3.44 2.79 3.08 -1.18 -3.30 114.38 118.88 1ypy h ARG 44 Ca -0.30 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.05 1ypy h ARG 44 Cb 1.20 0.01 -0.35 0.00 0.08 0.00 0.00 29.97 30.91 1ypy h ARG 44 CO 0.59 0.15 -0.22 -1.14 -1.07 0.00 0.00 179.97 178.28 1ypy s GLN 45 N -5.41 2.96 -0.53 0.04 0.74 -0.14 -5.03 119.66 112.30 1ypy s GLN 45 Ca -0.14 -2.92 -0.20 0.00 0.05 0.00 0.00 55.36 52.15 1ypy s GLN 45 Cb 0.04 -3.86 0.06 0.00 1.10 0.00 0.00 33.01 30.35 1ypy s GLN 45 CO 0.66 -1.23 0.70 1.21 -0.55 0.00 0.00 175.29 176.08 1ypy s ASN 46 N 0.28 6.24 -0.78 6.67 3.84 -1.24 -2.44 114.94 127.51 1ypy s ASN 46 Ca 0.22 -0.88 0.03 0.00 0.21 0.00 0.00 52.86 52.45 1ypy s ASN 46 Cb -0.13 -2.32 0.28 0.00 -0.55 0.00 0.00 41.25 38.53 1ypy s ASN 46 CO -0.08 -0.99 1.02 1.41 -2.79 0.00 0.00 177.10 175.67 1ypy n HIS 47 N 6.45 3.25 0.00 0.43 8.25 -0.41 -4.76 115.22 128.45 1ypy n HIS 47 Ca -0.05 -3.63 0.00 0.00 -0.26 0.00 0.00 57.72 53.78 1ypy n HIS 47 Cb 0.45 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1ypy n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ypy n GLY 48 N 0.84 1.81 3.24 -1.41 0.00 -1.26 0.43 105.19 108.83 1ypy n GLY 48 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 1ypy n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ypy s ASN 50 N 0.08 4.73 0.00 0.00 0.01 0.65 -4.91 114.94 115.51 1ypy s ASN 50 Ca -0.11 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 1ypy s ASN 50 Cb -0.16 -1.77 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 1ypy s ASN 50 CO 0.06 0.17 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.90 1ypy s LEU 51 N 0.37 2.72 0.06 0.60 1.02 -1.26 -0.84 118.68 121.35 1ypy s LEU 51 Ca -0.05 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 1ypy s LEU 51 Cb -0.14 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 1ypy s LEU 51 CO 0.03 0.29 0.02 0.42 0.02 0.00 0.00 176.35 177.13 1ypy s THR 52 N -0.87 0.20 -0.04 5.49 -4.23 -0.50 -4.99 115.64 110.70 1ypy s THR 52 Ca 0.14 -1.63 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1ypy s THR 52 Cb -0.11 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 1ypy s THR 52 CO 0.04 -0.90 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.32 1ypy s VAL 53 N -3.81 1.72 -0.15 2.29 1.01 -1.26 -0.81 120.40 119.39 1ypy s VAL 53 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1ypy s VAL 53 Cb 0.07 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 35.03 1ypy s VAL 53 CO -0.10 0.48 -0.11 -0.75 0.00 0.00 0.00 175.10 174.63 1ypy s LYS 54 N -0.21 1.94 -0.21 2.72 2.20 -0.08 -4.93 119.74 121.17 1ypy s LYS 54 Ca 0.00 -0.50 -0.25 0.00 -0.36 0.00 0.00 55.97 54.87 1ypy s LYS 54 Cb -0.11 -1.98 -0.01 0.00 -1.51 0.00 0.00 37.83 34.23 1ypy s LYS 54 CO 0.02 -0.29 0.85 -0.80 -0.36 0.00 0.00 175.35 174.76 1ypy s ASN 55 N 1.56 6.90 -0.42 1.43 0.01 -1.26 -0.69 114.94 122.48 1ypy s ASN 55 Ca 0.04 1.12 0.08 0.00 -0.71 0.00 0.00 52.86 53.39 1ypy s ASN 55 Cb -0.13 -2.45 0.27 0.00 0.41 0.00 0.00 41.25 39.35 1ypy s ASN 55 CO -0.09 -0.48 0.60 0.23 -1.51 0.00 0.00 177.10 175.85 1ypy n MET 56 N 5.70 1.04 -2.55 -0.60 2.81 -0.22 -4.20 117.12 119.11 1ypy n MET 56 Ca 0.06 -3.46 -0.28 0.00 -1.81 0.00 0.00 57.70 52.20 1ypy n MET 56 Cb 0.48 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1ypy n MET 56 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ypy s SER 58 N -4.13 -0.24 0.08 0.00 1.04 -1.16 -2.60 113.70 106.70 1ypy s SER 58 Ca 0.49 -0.66 0.12 0.00 0.48 0.00 0.00 55.95 56.38 1ypy s SER 58 Cb -0.10 0.73 -0.17 0.00 0.10 0.00 0.00 66.02 66.58 1ypy s SER 58 CO 0.46 -1.37 1.01 0.00 0.98 0.00 0.00 173.24 174.32 1ypy h ALA 59 N 2.01 0.60 -2.26 5.32 0.00 -1.87 -3.45 119.26 119.60 1ypy h ALA 59 Ca -0.20 -1.03 -0.72 0.00 0.00 0.00 0.00 54.91 52.96 1ypy h ALA 59 Cb 1.25 0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.98 1ypy h ALA 59 CO 0.25 1.22 -0.23 0.34 0.00 0.00 0.00 179.25 180.82 1ypy s ASP 60 N -6.30 6.17 0.28 0.00 -1.08 -1.26 -4.95 116.67 109.53 1ypy s ASP 60 Ca -0.01 -1.17 -0.02 0.00 -0.52 0.00 0.00 52.55 50.83 1ypy s ASP 60 Cb 0.09 -2.21 0.40 0.00 -1.46 0.00 0.00 42.92 39.73 1ypy s ASP 60 CO 0.81 -0.70 1.87 0.00 0.52 0.00 0.00 175.17 177.68 1ypy h ALA 61 N 8.81 1.27 -0.59 3.66 0.00 -1.97 -1.97 119.26 128.47 1ypy h ALA 61 Ca -0.28 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1ypy h ALA 61 Cb 1.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1ypy h ALA 61 CO 0.89 0.55 -0.04 -0.44 0.00 0.00 0.00 179.25 180.21 1ypy h ASP 62 N 0.94 1.04 0.10 0.00 3.32 -2.00 -1.34 116.42 118.49 1ypy h ASP 62 Ca 0.23 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1ypy h ASP 62 Cb 0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ypy h ASP 62 CO -0.03 1.11 -0.25 0.00 -1.72 0.00 0.00 179.24 178.35 1ypy h ALA 63 N 0.99 1.31 -0.14 3.45 0.00 -1.86 -2.04 119.26 120.96 1ypy h ALA 63 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ypy h ALA 63 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ypy h ALA 63 CO 0.04 0.47 0.04 1.96 0.00 0.00 0.00 179.25 181.76 1ypy h GLN 64 N 0.24 0.22 -0.42 0.00 4.20 -0.77 -1.13 115.11 117.44 1ypy h GLN 64 Ca 0.04 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1ypy h GLN 64 Cb 0.58 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1ypy h GLN 64 CO 0.04 0.37 0.25 1.25 -0.67 0.00 0.00 178.83 180.07 1ypy h LEU 65 N 0.03 0.41 -0.82 1.46 5.85 -1.02 -1.24 115.31 119.99 1ypy h LEU 65 Ca 0.04 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ypy h LEU 65 Cb 0.25 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1ypy h LEU 65 CO -0.00 0.30 0.53 0.44 -0.34 0.00 0.00 178.44 179.37 1ypy h ASP 66 N 0.51 0.90 -0.52 1.25 3.32 -1.28 -1.37 116.42 119.23 1ypy h ASP 66 Ca 0.17 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1ypy h ASP 66 Cb -0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1ypy h ASP 66 CO -0.07 0.63 0.03 0.00 -1.72 0.00 0.00 179.24 178.11 1ypy h ALA 67 N 1.32 0.69 -0.45 3.45 0.00 -0.66 0.03 119.26 123.65 1ypy h ALA 67 Ca 0.32 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ypy h ALA 67 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ypy h ALA 67 CO -0.09 0.48 0.01 0.28 0.00 0.00 0.00 179.25 179.93 1ypy h VAL 68 N 0.76 1.26 -0.50 0.00 2.07 -0.82 -1.05 116.25 117.97 1ypy h VAL 68 Ca 0.15 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1ypy h VAL 68 Cb 0.48 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1ypy h VAL 68 CO 0.02 0.36 0.01 -0.07 0.02 0.00 0.00 177.57 177.91 1ypy h LEU 69 N 0.64 0.80 -0.40 2.57 3.38 -1.14 -1.41 115.31 119.75 1ypy h LEU 69 Ca 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ypy h LEU 69 Cb 0.48 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ypy h LEU 69 CO 0.02 0.85 0.22 -1.28 0.09 0.00 0.00 178.44 178.34 1ypy h SER 70 N 0.78 0.50 -0.78 -0.43 0.87 -0.70 -0.53 113.55 113.26 1ypy h SER 70 Ca 0.15 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1ypy h SER 70 Cb 0.45 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1ypy h SER 70 CO 0.02 0.45 0.36 0.00 -0.53 0.00 0.00 176.83 177.13 1ypy h ALA 71 N 1.08 1.15 -0.20 6.23 0.00 -0.85 -1.27 119.26 125.40 1ypy h ALA 71 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ypy h ALA 71 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ypy h ALA 71 CO -0.02 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.87 1ypy h ALA 72 N 1.27 0.27 -0.52 0.00 0.00 -0.92 -1.54 119.26 117.81 1ypy h ALA 72 Ca 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ypy h ALA 72 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ypy h ALA 72 CO -0.03 -0.03 0.25 1.15 0.00 0.00 0.00 179.25 180.59 1ypy h THR 73 N 0.11 1.20 -0.35 0.00 2.02 -0.91 -0.60 112.91 114.38 1ypy h THR 73 Ca 0.06 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 1ypy h THR 73 Cb 0.37 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1ypy h THR 73 CO 0.01 0.22 -0.20 -0.33 0.37 0.00 0.00 175.52 175.59 1ypy h GLU 74 N 0.70 0.66 -0.47 6.66 5.08 -1.23 -1.01 114.58 124.96 1ypy h GLU 74 Ca 0.18 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1ypy h GLU 74 Cb 0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ypy h GLU 74 CO -0.02 0.81 0.01 1.15 -1.00 0.00 0.00 179.01 179.96 1ypy h THR 75 N 0.58 1.26 -0.37 1.13 2.02 -0.94 -1.22 112.91 115.38 1ypy h THR 75 Ca 0.09 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1ypy h THR 75 Cb 0.66 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1ypy h THR 75 CO 0.05 0.36 0.15 0.22 0.37 0.00 0.00 175.52 176.67 1ypy h TYR 76 N 0.68 0.56 -0.60 3.16 3.20 -0.88 -2.58 116.97 120.50 1ypy h TYR 76 Ca 0.14 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1ypy h TYR 76 Cb 0.49 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1ypy h TYR 76 CO 0.04 0.51 0.40 1.03 -1.64 0.00 0.00 178.16 178.49 1ypy h SER 77 N 0.45 0.58 0.53 -2.11 0.87 -0.99 -1.43 113.55 111.45 1ypy h SER 77 Ca 0.12 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ypy h SER 77 Cb 0.18 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1ypy h SER 77 CO -0.01 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 1ypy n GLY 78 N -1.46 -1.11 3.84 5.77 0.00 -0.48 -4.82 105.19 106.93 1ypy n GLY 78 Ca 0.08 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1ypy n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ypy s LEU 79 N -2.69 2.24 0.27 0.99 1.43 -0.54 -5.08 118.68 115.30 1ypy s LEU 79 Ca 0.19 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 1ypy s LEU 79 Cb 0.15 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1ypy s LEU 79 CO 0.37 -2.49 0.39 0.42 0.23 0.00 0.00 176.35 175.27 1ypy s THR 80 N -3.50 4.84 0.24 5.49 -4.23 -1.26 -4.92 115.64 112.30 1ypy s THR 80 Ca 0.66 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.11 1ypy s THR 80 Cb -0.11 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1ypy s THR 80 CO 0.52 -0.27 1.69 -0.65 -0.54 0.00 0.00 174.62 175.36 1ypy h PRO 81 N 1.09 0.26 0.22 3.99 0.11 -1.98 0.85 132.00 136.53 1ypy h PRO 81 Ca -0.50 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1ypy h PRO 81 Cb 1.24 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1ypy h PRO 81 CO 0.58 0.17 -0.50 1.49 -0.21 0.00 0.00 178.00 179.53 1ypy h GLU 82 N 0.27 -0.77 -0.88 1.05 4.81 -2.03 -2.70 114.58 114.33 1ypy h GLU 82 Ca 0.40 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.75 1ypy h GLU 82 Cb 0.67 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.17 1ypy h GLU 82 CO -0.50 -0.51 0.57 1.96 -0.73 0.00 0.00 179.01 179.80 1ypy h GLN 83 N -0.80 0.94 0.00 1.92 4.20 -1.51 -2.56 115.11 117.30 1ypy h GLN 83 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ypy h GLN 83 Cb 0.78 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ypy h GLN 83 CO -0.22 0.62 0.00 1.63 -0.67 0.00 0.00 178.83 180.19 1ypy n LYS 84 N -4.49 0.09 0.09 1.46 5.02 0.13 -2.95 118.16 117.51 1ypy n LYS 84 Ca 0.13 0.45 0.08 0.00 -2.02 0.00 0.00 58.31 56.95 1ypy n LYS 84 Cb 0.22 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1ypy n LYS 84 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ypy h ALA 85 N 2.20 0.57 -0.00 7.82 0.00 -1.42 -3.31 119.26 125.12 1ypy h ALA 85 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1ypy h ALA 85 Cb 0.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ypy h ALA 85 CO 0.00 0.31 -0.80 1.88 0.00 0.00 0.00 179.25 180.64 1ypy h TYR 86 N 0.00 0.08 0.12 0.00 0.05 -1.68 -3.31 116.97 112.24 1ypy h TYR 86 Ca -0.05 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.70 1ypy h TYR 86 Cb 1.20 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.90 1ypy h TYR 86 CO 0.00 0.83 -0.22 0.28 -1.05 0.00 0.00 178.16 178.01 1ypy h VAL 87 N 0.03 0.52 -0.04 -2.88 2.07 -1.66 0.26 116.25 114.55 1ypy h VAL 87 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1ypy h VAL 87 Cb 1.41 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1ypy h VAL 87 CO 0.11 0.00 -0.42 -0.65 0.02 0.00 0.00 177.57 176.63 1ypy h PRO 88 N -0.41 -0.53 -0.93 1.57 0.11 -1.70 1.24 132.00 131.35 1ypy h PRO 88 Ca 0.02 0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.35 1ypy h PRO 88 Cb 0.43 0.12 -0.11 0.00 0.11 0.00 0.00 31.00 31.55 1ypy h PRO 88 CO -0.11 -0.35 0.50 0.00 -0.21 0.00 0.00 178.00 177.83 1ypy h ALA 89 N 0.02 1.48 -0.38 -0.75 0.00 -1.56 0.16 119.26 118.24 1ypy h ALA 89 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ypy h ALA 89 Cb 0.64 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ypy h ALA 89 CO -0.34 -0.13 0.12 0.52 0.00 0.00 0.00 179.25 179.42 1ypy h MET 90 N 0.63 0.58 0.12 0.00 2.86 0.23 -2.09 114.93 117.26 1ypy h MET 90 Ca 0.54 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 58.07 1ypy h MET 90 Cb 0.86 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1ypy h MET 90 CO -0.41 0.59 -0.23 0.35 1.06 0.00 0.00 176.91 178.27 1ypy h PHE 91 N 0.46 -0.61 -0.76 -0.22 3.57 0.33 -2.04 116.94 117.69 1ypy h PHE 91 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ypy h PHE 91 Cb 0.25 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1ypy h PHE 91 CO 0.01 -0.33 0.43 1.15 -2.23 0.00 0.00 178.31 177.34 1ypy h THR 92 N -0.43 1.22 0.00 4.41 2.02 -1.25 -0.65 112.91 118.24 1ypy h THR 92 Ca 0.03 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1ypy h THR 92 Cb 0.45 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1ypy h THR 92 CO -0.13 0.25 -0.14 0.00 0.37 0.00 0.00 175.52 175.87 1ypy h ALA 93 N 1.22 1.28 0.00 6.16 0.00 -1.14 -2.89 119.26 123.89 1ypy h ALA 93 Ca 0.27 -0.13 -0.39 0.00 0.00 0.00 0.00 54.91 54.66 1ypy h ALA 93 Cb 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1ypy h ALA 93 CO -0.04 0.17 -2.48 0.00 0.00 0.00 0.00 179.25 176.90 1ypy n ALA 94 N -2.29 1.44 0.80 0.00 0.00 -0.79 -4.74 120.51 114.94 1ypy n ALA 94 Ca -0.02 -1.11 0.09 0.00 0.00 0.00 0.00 53.44 52.41 1ypy n ALA 94 Cb 0.26 -0.10 0.06 0.00 0.00 0.00 0.00 19.45 19.67 1ypy n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ypy n LEU 95 N -3.25 2.40 -3.34 0.00 4.32 -0.29 -4.96 117.00 111.89 1ypy n LEU 95 Ca -0.46 -0.94 -0.16 0.00 -0.02 0.00 0.00 56.01 54.43 1ypy n LEU 95 Cb 0.99 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.88 1ypy n LEU 95 CO 0.26 0.42 0.10 0.59 -1.22 0.00 0.00 177.39 177.55 1ypy n ASN 96 N 0.80 -2.42 -3.73 -1.43 5.03 -1.09 -5.02 115.26 107.40 1ypy n ASN 96 Ca 0.10 -0.61 -0.13 0.00 0.87 0.00 0.00 54.58 54.81 1ypy n ASN 96 Cb 0.46 -4.99 -0.10 0.00 -1.02 0.00 0.00 39.78 34.13 1ypy n ASN 96 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ypy s ILE 97 N -3.35 0.00 0.54 2.41 1.01 -1.25 -5.08 121.20 115.49 1ypy s ILE 97 Ca 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1ypy s ILE 97 Cb -0.00 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 1ypy s ILE 97 CO 0.71 -0.01 1.08 0.00 0.00 0.00 0.00 174.94 176.72 1ypy s GLN 98 N 0.14 3.47 0.10 2.79 -2.07 -1.26 -3.58 119.66 119.24 1ypy s GLN 98 Ca -0.01 1.43 -0.27 0.00 -1.82 0.00 0.00 55.36 54.70 1ypy s GLN 98 Cb -0.03 -2.04 0.08 0.00 -1.09 0.00 0.00 33.01 29.93 1ypy s GLN 98 CO 0.01 -0.72 0.97 -0.08 -1.32 0.00 0.00 175.29 174.15 1ypy s THR 99 N -2.02 0.00 0.21 3.63 -1.32 -1.26 -4.98 115.64 109.90 1ypy s THR 99 Ca 0.69 -0.46 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 1ypy s THR 99 Cb -0.19 -1.74 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 1ypy s THR 99 CO 0.27 0.00 0.38 -0.94 -2.21 0.00 0.00 174.62 172.13 1ypy s SER 100 N -2.82 -0.04 1.27 8.08 1.04 -1.26 -4.87 113.70 115.09 1ypy s SER 100 Ca 0.11 -0.90 -0.14 0.00 0.48 0.00 0.00 55.95 55.49 1ypy s SER 100 Cb -0.01 0.51 0.22 0.00 0.10 0.00 0.00 66.02 66.85 1ypy s SER 100 CO -0.01 -1.02 0.51 1.33 0.98 0.00 0.00 173.24 175.03 1ypy n VAL 101 N -0.31 0.00 -0.16 5.02 0.24 -1.26 -2.02 118.33 119.84 1ypy n VAL 101 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1ypy n VAL 101 Cb 0.63 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1ypy n VAL 101 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ypy n ASN 102 N -4.54 0.00 0.00 -1.34 3.02 -1.26 -4.26 115.26 106.87 1ypy n ASN 102 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1ypy n ASN 102 Cb 0.35 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1ypy n ASN 102 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ypy n THR 103 N -1.16 0.00 0.10 3.41 -2.24 -1.16 -4.88 114.28 108.36 1ypy n THR 103 Ca 0.00 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1ypy n THR 103 Cb 0.00 0.31 0.67 0.00 -2.10 0.00 0.00 70.33 69.21 1ypy n THR 103 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1ypy h VAL 104 N 0.00 0.84 -0.06 2.28 3.04 -1.59 0.70 116.25 121.45 1ypy h VAL 104 Ca 0.00 -0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1ypy h VAL 104 Cb 0.00 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 30.11 1ypy h VAL 104 CO 0.00 0.00 -0.02 0.58 -1.01 0.00 0.00 177.57 177.12 1ypy h VAL 105 N 0.01 1.30 -0.58 1.51 2.07 -1.89 0.17 116.25 118.83 1ypy h VAL 105 Ca 0.16 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1ypy h VAL 105 Cb 0.62 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1ypy h VAL 105 CO -0.00 0.26 0.35 -0.09 0.02 0.00 0.00 177.57 178.11 1ypy h ARG 106 N -0.23 0.68 -0.48 1.57 2.43 -1.61 0.31 114.38 117.05 1ypy h ARG 106 Ca 0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1ypy h ARG 106 Cb 0.43 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1ypy h ARG 106 CO 0.01 0.45 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.42 1ypy h ASP 107 N 0.70 0.82 -0.27 -3.80 3.32 -0.82 -1.46 116.42 114.91 1ypy h ASP 107 Ca 0.23 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1ypy h ASP 107 Cb 0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1ypy h ASP 107 CO -0.10 0.92 -0.52 0.15 -1.72 0.00 0.00 179.24 177.97 1ypy h PHE 108 N 0.77 1.07 -0.48 4.55 3.57 -0.23 -2.13 116.94 124.06 1ypy h PHE 108 Ca 0.14 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 1ypy h PHE 108 Cb 0.54 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1ypy h PHE 108 CO 0.03 1.20 0.03 0.93 -2.23 0.00 0.00 178.31 178.27 1ypy h GLU 109 N 0.67 0.77 -0.47 1.11 5.08 -0.77 -0.78 114.58 120.19 1ypy h GLU 109 Ca 0.02 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1ypy h GLU 109 Cb 1.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1ypy h GLU 109 CO 0.12 0.76 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.81 1ypy h ASN 110 N 0.73 0.96 -0.13 1.42 2.35 -1.16 0.02 115.58 119.77 1ypy h ASN 110 Ca 0.15 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1ypy h ASN 110 Cb 0.40 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1ypy h ASN 110 CO 0.01 1.12 0.06 0.22 -1.65 0.00 0.00 177.43 177.20 1ypy h TYR 111 N 0.78 0.19 -0.39 1.19 3.20 -1.08 -1.46 116.97 119.40 1ypy h TYR 111 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1ypy h TYR 111 Cb 0.73 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1ypy h TYR 111 CO 0.05 0.24 0.11 0.28 -1.64 0.00 0.00 178.16 177.21 1ypy h VAL 112 N 0.08 1.22 -0.48 1.81 2.07 -1.06 0.40 116.25 120.29 1ypy h VAL 112 Ca 0.04 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1ypy h VAL 112 Cb 0.13 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1ypy h VAL 112 CO -0.01 0.25 0.20 0.11 0.02 0.00 0.00 177.57 178.14 1ypy h LYS 113 N 0.48 0.71 -0.23 1.57 1.79 -0.95 0.15 116.57 120.09 1ypy h LYS 113 Ca 0.12 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1ypy h LYS 113 Cb 0.27 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1ypy h LYS 113 CO -0.00 0.63 -0.08 1.96 -1.08 0.00 0.00 179.45 180.88 1ypy h GLN 114 N 0.63 0.46 0.04 3.15 4.20 -1.19 -2.51 115.11 119.89 1ypy h GLN 114 Ca 0.16 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ypy h GLN 114 Cb 0.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ypy h GLN 114 CO -0.01 0.71 -0.02 1.15 -0.67 0.00 0.00 178.83 179.99 1ypy h THR 115 N 0.18 1.29 0.00 -0.54 2.02 -0.86 -3.12 112.91 111.88 1ypy h THR 115 Ca 0.05 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1ypy h THR 115 Cb 0.56 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1ypy h THR 115 CO 0.03 0.29 0.00 0.00 0.37 0.00 0.00 175.52 176.21 1ypy n ASN 117 N -1.73 2.53 -4.75 0.00 3.02 -0.94 -4.45 115.26 108.95 1ypy n ASN 117 Ca 0.05 -1.77 -0.34 0.00 -0.03 0.00 0.00 54.58 52.50 1ypy n ASN 117 Cb 0.27 0.20 0.07 0.00 -0.61 0.00 0.00 39.78 39.71 1ypy n ASN 117 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ypy s SER 118 N -2.12 4.74 0.27 6.41 1.04 -1.04 -4.76 113.70 118.24 1ypy s SER 118 Ca 0.23 2.15 -0.04 0.00 0.48 0.00 0.00 55.95 58.78 1ypy s SER 118 Cb 0.18 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 64.10 1ypy s SER 118 CO 0.40 -1.89 1.92 0.77 0.98 0.00 0.00 173.24 175.42 1ypy h SER 119 N -0.07 1.06 -0.99 7.02 4.64 -1.93 -0.96 113.55 122.33 1ypy h SER 119 Ca -0.47 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 60.96 1ypy h SER 119 Cb 1.27 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.02 1ypy h SER 119 CO 0.52 0.74 0.62 0.00 -0.87 0.00 0.00 176.83 177.84 1ypy h ALA 120 N 1.43 1.58 0.00 5.18 0.00 -1.92 0.13 119.26 125.65 1ypy h ALA 120 Ca 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1ypy h ALA 120 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ypy h ALA 120 CO -0.11 0.17 -0.19 0.28 0.00 0.00 0.00 179.25 179.40 1ypy h VAL 121 N 0.94 0.40 -0.40 0.00 2.07 -1.69 -3.31 116.25 114.26 1ypy h VAL 121 Ca 0.50 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ypy h VAL 121 Cb 0.55 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1ypy h VAL 121 CO -0.26 0.14 0.19 0.58 0.02 0.00 0.00 177.57 178.23 1ypy h VAL 122 N -1.00 1.14 -0.29 2.57 2.07 -1.15 -2.52 116.25 117.07 1ypy h VAL 122 Ca -0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ypy h VAL 122 Cb 0.38 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1ypy h VAL 122 CO -0.02 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.21 1ypy n ASP 123 N -4.41 1.91 -4.68 0.57 8.00 0.44 -4.90 116.55 113.47 1ypy n ASP 123 Ca 0.03 -1.88 -0.44 0.00 0.71 0.00 0.00 54.79 53.21 1ypy n ASP 123 Cb 0.12 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1ypy n ASP 123 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ypy n ASN 124 N 0.51 3.80 -0.29 -2.24 2.85 -0.95 -4.86 115.26 114.08 1ypy n ASN 124 Ca 0.14 1.00 0.13 0.00 -0.11 0.00 0.00 54.58 55.73 1ypy n ASN 124 Cb 0.33 -1.50 0.30 0.00 1.24 0.00 0.00 39.78 40.15 1ypy n ASN 124 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ypy n LYS 125 N 5.52 0.90 -2.52 1.20 4.76 -1.26 -4.93 118.16 121.82 1ypy n LYS 125 Ca 0.19 -0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 54.62 1ypy n LYS 125 Cb 0.35 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 1ypy n LYS 125 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ypy s LEU 126 N -2.50 4.34 0.07 -0.35 1.43 -1.26 -4.94 118.68 115.47 1ypy s LEU 126 Ca 0.23 1.85 0.24 0.00 -1.03 0.00 0.00 54.13 55.42 1ypy s LEU 126 Cb 0.19 -3.57 0.28 0.00 0.03 0.00 0.00 46.19 43.12 1ypy s LEU 126 CO 0.53 -0.43 1.25 0.29 0.23 0.00 0.00 176.35 178.22 1ypy n LYS 127 N 4.23 0.22 -3.98 1.70 4.76 -1.26 -4.66 118.16 119.16 1ypy n LYS 127 Ca 0.08 0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.26 1ypy n LYS 127 Cb 0.48 -1.61 -0.16 0.00 -1.84 0.00 0.00 35.03 31.90 1ypy n LYS 127 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ypy s ILE 128 N -3.13 1.57 0.21 -0.18 1.01 -1.26 -0.82 121.20 118.60 1ypy s ILE 128 Ca 0.07 -0.93 0.12 0.00 0.00 0.00 0.00 60.65 59.90 1ypy s ILE 128 Cb 0.15 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1ypy s ILE 128 CO 0.74 0.18 -0.23 -1.10 0.00 0.00 0.00 174.94 174.54 1ypy s GLN 129 N 1.43 1.55 -0.04 2.79 -0.21 -0.09 -4.80 119.66 120.29 1ypy s GLN 129 Ca -0.01 -1.58 -0.01 0.00 0.02 0.00 0.00 55.36 53.78 1ypy s GLN 129 Cb -0.16 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1ypy s GLN 129 CO -0.08 0.38 0.06 -0.80 -2.12 0.00 0.00 175.29 172.73 1ypy s ASN 130 N -2.85 5.59 -0.21 5.90 0.01 -1.26 -0.57 114.94 121.54 1ypy s ASN 130 Ca 0.23 0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 1ypy s ASN 130 Cb -0.07 -1.61 0.03 0.00 0.41 0.00 0.00 41.25 40.01 1ypy s ASN 130 CO 0.11 0.31 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.18 1ypy s VAL 131 N -1.09 2.30 -0.03 1.60 1.01 0.25 -4.97 120.40 119.47 1ypy s VAL 131 Ca 0.19 -1.10 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1ypy s VAL 131 Cb -0.12 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1ypy s VAL 131 CO 0.10 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.73 1ypy s ILE 132 N 1.26 1.39 -0.03 2.22 1.01 -1.26 -2.11 121.20 123.67 1ypy s ILE 132 Ca 0.01 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1ypy s ILE 132 Cb -0.15 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1ypy s ILE 132 CO -0.09 0.40 -0.25 -0.63 0.00 0.00 0.00 174.94 174.37 1ypy s ILE 133 N -0.17 1.97 0.09 2.92 -1.09 -0.88 -5.01 121.20 119.02 1ypy s ILE 133 Ca 0.01 -1.05 -0.15 0.00 -2.23 0.00 0.00 60.65 57.23 1ypy s ILE 133 Cb -0.09 -1.64 -0.11 0.00 -1.58 0.00 0.00 42.46 39.03 1ypy s ILE 133 CO 0.01 0.55 1.37 0.44 -1.23 0.00 0.00 174.94 176.08 1ypy h ASP 134 N 5.73 0.75 -4.98 3.58 3.32 -1.95 -1.00 116.42 121.86 1ypy h ASP 134 Ca -0.38 -0.53 -0.16 0.00 0.02 0.00 0.00 57.03 55.98 1ypy h ASP 134 Cb 1.14 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.27 1ypy h ASP 134 CO 0.47 1.13 -0.65 -1.61 -1.72 0.00 0.00 179.24 176.87 1ypy s GLU 135 N -4.14 0.36 -0.27 3.56 2.02 -1.26 -0.96 118.70 118.00 1ypy s GLU 135 Ca -0.12 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.06 1ypy s GLU 135 Cb 0.08 0.13 0.07 0.00 0.10 0.00 0.00 34.13 34.51 1ypy s GLU 135 CO 0.84 -0.07 0.72 0.00 0.02 0.00 0.00 175.26 176.77 1ypy s TYR 137 N 0.40 1.89 -0.11 0.00 5.04 -1.26 -1.28 117.35 122.04 1ypy s TYR 137 Ca -0.00 -0.37 -0.03 0.00 -2.44 0.00 0.00 57.07 54.23 1ypy s TYR 137 Cb -0.05 -1.16 0.04 0.00 0.35 0.00 0.00 41.96 41.14 1ypy s TYR 137 CO 0.01 0.05 0.05 0.20 -1.34 0.00 0.00 175.55 174.51 1ypy s GLY 138 N -0.93 0.42 0.72 8.97 0.00 0.17 -4.57 107.32 112.10 1ypy s GLY 138 Ca 0.08 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.46 1ypy s GLY 138 CO 0.01 1.41 1.21 0.00 0.00 0.00 0.00 173.10 175.73 1ypy s ALA 139 N 2.05 2.14 0.26 3.20 0.00 -1.26 -4.36 121.76 123.78 1ypy s ALA 139 Ca 0.03 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 1ypy s ALA 139 Cb -0.14 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1ypy s ALA 139 CO -0.06 -1.85 1.46 -2.30 0.00 0.00 0.00 175.76 173.01 1ypy n PRO 140 N -2.65 2.22 -0.96 0.00 -0.02 -1.26 -2.76 135.00 129.58 1ypy n PRO 140 Ca 0.14 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1ypy n PRO 140 Cb 0.50 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1ypy n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ypy n GLY 141 N 2.11 0.86 2.38 -1.23 0.00 -1.26 -4.90 105.19 103.16 1ypy n GLY 141 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1ypy n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ypy n SER 142 N -0.01 -0.87 -4.64 1.61 3.41 -1.11 -5.14 113.62 106.87 1ypy n SER 142 Ca 0.00 -2.81 -0.39 0.00 -0.26 0.00 0.00 58.87 55.41 1ypy n SER 142 Cb 0.00 0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1ypy n SER 142 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ypy n PRO 143 N 1.75 1.19 -2.75 4.33 -0.02 -1.26 -4.21 135.00 134.03 1ypy n PRO 143 Ca 0.19 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1ypy n PRO 143 Cb 0.55 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1ypy n PRO 143 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ypy s THR 144 N -1.41 4.82 -0.25 3.45 2.01 0.07 -4.85 115.64 119.48 1ypy s THR 144 Ca 0.71 1.92 -0.14 0.00 0.31 0.00 0.00 61.69 64.48 1ypy s THR 144 Cb -0.46 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1ypy s THR 144 CO 0.51 0.01 0.34 0.20 -0.69 0.00 0.00 174.62 174.99 1ypy s ASN 145 N 1.10 6.26 -0.15 3.53 0.01 -1.26 -0.25 114.94 124.18 1ypy s ASN 145 Ca 0.45 0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.91 1ypy s ASN 145 Cb -0.18 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.29 1ypy s ASN 145 CO 0.16 -0.11 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.69 1ypy s LEU 146 N 1.73 2.27 -0.22 0.60 1.43 -0.02 -4.96 118.68 119.52 1ypy s LEU 146 Ca 0.14 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1ypy s LEU 146 Cb -0.15 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1ypy s LEU 146 CO 0.09 0.08 -0.11 -0.70 0.23 0.00 0.00 176.35 175.93 1ypy s GLU 147 N 0.86 2.98 -0.27 1.70 2.12 -1.26 -1.41 118.70 123.42 1ypy s GLU 147 Ca -0.05 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.22 1ypy s GLU 147 Cb -0.15 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 1ypy s GLU 147 CO -0.02 -0.29 0.57 0.12 -0.54 0.00 0.00 175.26 175.11 1ypy s PHE 148 N 1.33 3.26 -0.41 5.30 5.36 0.01 -4.94 117.98 127.88 1ypy s PHE 148 Ca 0.03 0.67 -0.20 0.00 -0.96 0.00 0.00 56.93 56.47 1ypy s PHE 148 Cb -0.15 -2.82 0.02 0.00 -0.34 0.00 0.00 43.02 39.73 1ypy s PHE 148 CO -0.08 -0.34 0.60 0.42 -1.46 0.00 0.00 175.22 174.36 1ypy s ILE 149 N 2.43 4.89 -0.28 3.12 1.01 -1.26 -0.90 121.20 130.21 1ypy s ILE 149 Ca 0.23 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.76 1ypy s ILE 149 Cb -0.15 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1ypy s ILE 149 CO 0.09 -0.48 1.08 0.21 0.00 0.00 0.00 174.94 175.85 1ypy s ASN 150 N 1.91 6.97 0.20 3.58 2.47 0.14 -4.90 114.94 125.32 1ypy s ASN 150 Ca 0.21 1.19 0.25 0.00 0.42 0.00 0.00 52.86 54.93 1ypy s ASN 150 Cb -0.15 -2.54 0.54 0.00 -1.45 0.00 0.00 41.25 37.65 1ypy s ASN 150 CO 0.17 -0.82 1.55 0.71 -3.72 0.00 0.00 177.10 174.99 1ypy h THR 151 N 5.65 0.00 0.00 -5.21 1.35 -1.88 -0.56 112.91 112.25 1ypy h THR 151 Ca -0.20 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1ypy h THR 151 Cb 1.06 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1ypy h THR 151 CO 1.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1ypy n GLY 152 N 1.29 0.74 3.12 5.82 0.00 -1.26 -2.97 105.19 111.93 1ypy n GLY 152 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1ypy n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ypy s SER 153 N -2.92 1.01 0.16 1.61 1.04 -1.26 -2.16 113.70 111.18 1ypy s SER 153 Ca 0.00 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1ypy s SER 153 Cb 0.00 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1ypy s SER 153 CO 0.00 -0.32 1.67 0.28 0.98 0.00 0.00 173.24 175.85 1ypy h SER 154 N 3.77 0.82 0.02 7.02 0.02 -1.94 -0.78 113.55 122.49 1ypy h SER 154 Ca -0.36 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1ypy h SER 154 Cb 1.18 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1ypy h SER 154 CO 0.52 0.84 -0.01 0.50 -1.14 0.00 0.00 176.83 177.54 1ypy h LYS 155 N 0.77 -0.03 -0.61 3.45 3.64 -1.82 -0.19 116.57 121.79 1ypy h LYS 155 Ca 0.17 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1ypy h LYS 155 Cb 0.33 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1ypy h LYS 155 CO 0.00 0.04 0.22 0.78 -2.27 0.00 0.00 179.45 178.22 1ypy h GLY 156 N -0.09 1.00 2.00 5.01 0.00 -1.78 -2.74 103.07 106.48 1ypy h GLY 156 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 1ypy h GLY 156 CO 0.00 0.53 -0.29 3.43 0.00 0.00 0.00 176.54 180.22 1ypy h ASN 157 N 0.86 0.00 -0.64 0.19 2.35 -0.98 -2.04 115.58 115.32 1ypy h ASN 157 Ca 0.20 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.90 1ypy h ASN 157 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1ypy h ASN 157 CO -0.01 0.29 0.19 0.00 -1.65 0.00 0.00 177.43 176.25 1ypy h ALA 159 N 1.22 0.43 -0.51 0.00 0.00 -1.23 -1.34 119.26 117.83 1ypy h ALA 159 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ypy h ALA 159 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ypy h ALA 159 CO -0.01 0.42 0.32 0.82 0.00 0.00 0.00 179.25 180.80 1ypy h ILE 160 N 0.45 1.15 -0.64 0.00 1.08 -1.10 -2.14 117.51 116.30 1ypy h ILE 160 Ca 0.05 -0.30 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 1ypy h ILE 160 Cb 0.81 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1ypy h ILE 160 CO 0.06 0.15 0.08 0.50 -0.69 0.00 0.00 178.15 178.25 1ypy h LYS 161 N 0.68 1.06 -0.74 2.37 3.64 -0.79 -1.40 116.57 121.40 1ypy h LYS 161 Ca 0.18 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1ypy h LYS 161 Cb -0.04 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1ypy h LYS 161 CO -0.04 0.99 0.46 0.00 -2.27 0.00 0.00 179.45 178.60 1ypy h ALA 162 N 1.09 0.94 -0.44 5.00 0.00 -0.99 -0.05 119.26 124.81 1ypy h ALA 162 Ca 0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ypy h ALA 162 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ypy h ALA 162 CO 0.02 0.39 -0.12 -0.07 0.00 0.00 0.00 179.25 179.47 1ypy h LEU 163 N 1.01 0.81 -0.85 0.00 3.38 -1.07 -2.41 115.31 116.17 1ypy h LEU 163 Ca 0.27 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1ypy h LEU 163 Cb -0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1ypy h LEU 163 CO -0.05 0.94 -0.25 -0.03 0.09 0.00 0.00 178.44 179.14 1ypy h MET 164 N 0.73 0.57 -0.68 1.13 4.05 -0.59 -1.21 114.93 118.92 1ypy h MET 164 Ca 0.12 -0.22 -0.07 0.00 -0.28 0.00 0.00 59.70 59.24 1ypy h MET 164 Cb 0.62 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 1ypy h MET 164 CO 0.04 0.77 0.15 1.96 0.23 0.00 0.00 176.91 180.06 1ypy h GLN 165 N 0.50 1.10 0.66 0.39 4.20 -0.84 0.45 115.11 121.57 1ypy h GLN 165 Ca 0.07 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1ypy h GLN 165 Cb 0.70 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.35 1ypy h GLN 165 CO 0.05 0.98 -0.32 1.25 -0.67 0.00 0.00 178.83 180.13 1ypy h LEU 166 N 1.04 -0.76 -1.28 1.46 5.85 -1.01 -2.42 115.31 118.19 1ypy h LEU 166 Ca 0.21 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1ypy h LEU 166 Cb 0.39 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ypy h LEU 166 CO 0.01 -0.47 -0.35 0.71 -0.34 0.00 0.00 178.44 178.00 1ypy h THR 167 N -1.00 1.11 -0.00 1.05 1.35 -1.16 -3.01 112.91 111.25 1ypy h THR 167 Ca -0.09 -1.24 -0.17 0.00 -0.55 0.00 0.00 66.41 64.36 1ypy h THR 167 Cb 0.71 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1ypy h THR 167 CO 0.15 0.34 -0.79 0.71 -0.25 0.00 0.00 175.52 175.68 1ypy h THR 168 N 0.00 1.54 0.00 6.82 1.35 -0.90 -2.79 112.91 118.94 1ypy h THR 168 Ca -0.00 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 1ypy h THR 168 Cb 0.67 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1ypy h THR 168 CO 0.04 0.76 0.00 0.50 -0.25 0.00 0.00 175.52 176.57 1ypy h LYS 169 N 0.03 0.00 -0.68 4.72 1.63 -1.29 -2.08 116.57 118.90 1ypy h LYS 169 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ypy h LYS 169 Cb 1.39 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.99 1ypy h LYS 169 CO 0.11 0.00 0.42 0.00 -3.45 0.00 0.00 179.45 176.53 1ypy h ALA 170 N 2.01 1.47 0.00 5.00 0.00 -1.53 -2.69 119.26 123.53 1ypy h ALA 170 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ypy h ALA 170 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ypy h ALA 170 CO 0.00 0.47 -0.35 1.79 0.00 0.00 0.00 179.25 181.16 1ypy h THR 171 N 0.93 0.80 -0.02 0.00 1.35 -1.49 -3.51 112.91 110.96 1ypy h THR 171 Ca 0.25 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1ypy h THR 171 Cb -0.06 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1ypy h THR 171 CO -0.05 0.34 0.00 0.35 -0.25 0.00 0.00 175.52 175.91