#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9j h SER 9 N 0.00 0.73 0.47 0.00 0.02 -2.06 -1.37 113.55 111.33 1y9j h SER 9 Ca 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1y9j h SER 9 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1y9j h SER 9 CO 0.00 0.62 -0.23 0.40 -1.14 0.00 0.00 176.83 176.48 1y9j h ILE 10 N 0.82 0.18 -0.84 3.27 1.08 -2.04 -3.04 117.51 116.92 1y9j h ILE 10 Ca 0.20 -0.55 0.24 0.00 -0.39 0.00 0.00 64.86 64.37 1y9j h ILE 10 Cb 0.07 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.06 1y9j h ILE 10 CO -0.03 0.04 0.69 -0.09 -0.69 0.00 0.00 178.15 178.07 1y9j h ARG 11 N -1.10 0.00 0.20 2.37 9.65 -1.99 0.76 114.38 124.26 1y9j h ARG 11 Ca -0.06 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1y9j h ARG 11 Cb 0.54 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1y9j h ARG 11 CO 0.11 0.00 -0.10 0.93 2.80 0.00 0.00 179.97 183.71 1y9j h GLU 12 N 0.00 -0.26 -1.03 0.20 4.39 -1.16 -2.74 114.58 113.98 1y9j h GLU 12 Ca 0.40 0.02 0.26 0.00 0.34 0.00 0.00 59.36 60.38 1y9j h GLU 12 Cb 1.77 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 30.37 1y9j h GLU 12 CO -0.00 -0.03 0.64 0.00 -1.16 0.00 0.00 179.01 178.46 1y9j h ARG 13 N -0.46 0.46 0.06 2.33 3.08 -0.74 0.40 114.38 119.51 1y9j h ARG 13 Ca -0.03 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1y9j h ARG 13 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1y9j h ARG 13 CO 0.04 0.30 -0.20 1.96 -1.07 0.00 0.00 179.97 181.00 1y9j h GLN 14 N 0.47 -0.34 0.00 0.04 4.20 -1.36 -0.99 115.11 117.13 1y9j h GLN 14 Ca 0.63 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.36 1y9j h GLN 14 Cb 1.41 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1y9j h GLN 14 CO -0.40 -0.23 -0.03 1.15 -0.67 0.00 0.00 178.83 178.65 1y9j h THR 15 N -0.36 0.18 0.86 -0.54 2.02 -0.85 -2.92 112.91 111.30 1y9j h THR 15 Ca 0.04 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1y9j h THR 15 Cb 0.41 1.23 0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1y9j h THR 15 CO -0.15 0.03 -0.43 0.58 0.37 0.00 0.00 175.52 175.92 1y9j h VAL 16 N 0.00 0.00 -0.06 3.16 2.07 -0.34 1.10 116.25 122.18 1y9j h VAL 16 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1y9j h VAL 16 Cb 0.23 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1y9j h VAL 16 CO 0.00 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.65 1y9j h ALA 17 N -1.43 1.77 0.10 1.67 0.00 -1.44 -2.59 119.26 117.35 1y9j h ALA 17 Ca -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1y9j h ALA 17 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1y9j h ALA 17 CO 0.18 -0.08 -0.05 -0.07 0.00 0.00 0.00 179.25 179.23 1y9j h LEU 18 N 0.00 -0.11 -1.17 0.00 3.38 -1.24 -3.08 115.31 113.09 1y9j h LEU 18 Ca 0.03 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.35 1y9j h LEU 18 Cb 0.13 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.78 1y9j h LEU 18 CO -0.00 0.23 0.66 0.11 0.09 0.00 0.00 178.44 179.53 1y9j h LYS 19 N -0.75 0.25 0.42 1.13 1.57 0.13 0.48 116.57 119.80 1y9j h LYS 19 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1y9j h LYS 19 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1y9j h LYS 19 CO 0.02 0.16 -0.20 0.00 -0.57 0.00 0.00 179.45 178.86 1y9j h ARG 20 N 0.25 -0.55 0.00 3.15 3.08 -1.58 0.87 114.38 119.60 1y9j h ARG 20 Ca 0.74 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1y9j h ARG 20 Cb 1.92 0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.10 1y9j h ARG 20 CO -0.51 -0.27 0.00 0.00 -1.07 0.00 0.00 179.97 178.12 1y9j n MET 21 N -5.26 0.19 -0.00 0.04 0.00 0.32 0.15 117.12 112.55 1y9j n MET 21 Ca -0.11 0.47 0.08 0.00 0.00 0.00 0.00 57.70 58.14 1y9j n MET 21 Cb 0.28 -1.89 -0.11 0.00 0.00 0.00 0.00 33.22 31.50 1y9j n MET 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1y9j n LEU 22 N -2.25 0.48 0.00 3.17 4.77 0.14 -4.76 117.00 118.56 1y9j n LEU 22 Ca 0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1y9j n LEU 22 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1y9j n LEU 22 CO 0.18 0.12 -0.17 0.59 -1.33 0.00 0.00 177.39 176.77 1y9j n ASN 23 N -1.67 1.57 -4.51 -1.43 3.02 0.30 -4.87 115.26 107.67 1y9j n ASN 23 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1y9j n ASN 23 Cb 0.34 0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 1y9j n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1y9j s PHE 24 N -1.35 2.63 -0.11 3.10 5.36 0.39 -5.00 117.98 123.01 1y9j s PHE 24 Ca 0.00 -0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 55.48 1y9j s PHE 24 Cb 0.00 -4.30 -0.02 0.00 -0.34 0.00 0.00 43.02 38.36 1y9j s PHE 24 CO 0.00 -1.62 1.17 0.54 -1.46 0.00 0.00 175.22 173.85 1y9j s ASN 25 N 3.34 7.06 0.68 6.13 4.22 -1.26 -4.56 114.94 130.54 1y9j s ASN 25 Ca 0.29 1.70 -0.13 0.00 -2.14 0.00 0.00 52.86 52.58 1y9j s ASN 25 Cb -0.13 -2.55 0.01 0.00 1.28 0.00 0.00 41.25 39.86 1y9j s ASN 25 CO 0.15 -0.62 1.08 0.68 -2.04 0.00 0.00 177.10 176.36 1y9j s VAL 26 N 2.60 3.55 -0.43 3.54 -7.23 -1.26 -4.87 120.40 116.30 1y9j s VAL 26 Ca 0.53 0.62 -0.43 0.00 -1.81 0.00 0.00 61.98 60.89 1y9j s VAL 26 Cb -0.22 -3.18 -0.18 0.00 0.56 0.00 0.00 36.38 33.37 1y9j s VAL 26 CO 0.18 -0.54 1.84 -2.65 -0.31 0.00 0.00 175.10 173.62 1y9j n PRO 27 N -2.75 0.41 -4.64 4.82 -0.02 -1.26 -4.94 135.00 126.61 1y9j n PRO 27 Ca 0.09 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 1y9j n PRO 27 Cb 0.53 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1y9j s HIS 28 N 4.40 2.27 -0.55 6.00 3.76 -1.26 -5.11 115.29 124.80 1y9j s HIS 28 Ca 1.08 -0.79 -0.12 0.00 -0.15 0.00 0.00 55.06 55.07 1y9j s HIS 28 Cb -1.32 -1.67 0.14 0.00 1.11 0.00 0.00 32.58 30.83 1y9j s HIS 28 CO 0.70 0.33 0.47 0.08 -0.85 0.00 0.00 174.74 175.47 1y9j s VAL 29 N -2.82 4.77 -0.30 -0.90 1.01 -1.26 -5.05 120.40 115.86 1y9j s VAL 29 Ca 0.27 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.31 1y9j s VAL 29 Cb 0.07 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1y9j s VAL 29 CO 0.13 -0.85 0.28 -0.54 0.00 0.00 0.00 175.10 174.12 1y9j s LYS 30 N 1.25 3.83 -0.08 2.72 1.02 -1.26 -4.94 119.74 122.28 1y9j s LYS 30 Ca 0.07 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 55.83 1y9j s LYS 30 Cb -0.26 -3.71 -0.24 0.00 -0.52 0.00 0.00 37.83 33.11 1y9j s LYS 30 CO -0.00 -0.31 0.51 -1.71 -0.92 0.00 0.00 175.35 172.92 1y9j n ASN 31 N 5.20 1.30 -3.60 2.83 2.85 -1.26 -4.73 115.26 117.85 1y9j n ASN 31 Ca -0.11 0.31 -0.29 0.00 -0.11 0.00 0.00 54.58 54.37 1y9j n ASN 31 Cb 0.51 -0.30 -0.13 0.00 1.24 0.00 0.00 39.78 41.10 1y9j n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1y9j s SER 32 N -6.40 3.38 0.98 1.20 0.01 -1.26 -5.13 113.70 106.46 1y9j s SER 32 Ca -0.12 -2.27 -0.13 0.00 1.31 0.00 0.00 55.95 54.74 1y9j s SER 32 Cb 0.07 -0.70 0.08 0.00 0.21 0.00 0.00 66.02 65.68 1y9j s SER 32 CO 0.80 -0.31 0.53 -2.65 0.41 0.00 0.00 173.24 172.03 1y9j n PRO 33 N 3.97 -0.58 0.00 12.44 -0.02 -1.26 -4.10 135.00 145.45 1y9j n PRO 33 Ca 0.08 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1y9j n PRO 33 Cb 0.37 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1y9j n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9j n GLY 34 N 1.29 2.37 3.81 -1.23 0.00 -1.26 -5.09 105.19 105.08 1y9j n GLY 34 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1y9j n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y9j s GLU 35 N -0.29 4.08 1.15 1.61 0.41 -1.26 -5.07 118.70 119.34 1y9j s GLU 35 Ca 0.00 0.53 -0.16 0.00 -0.41 0.00 0.00 54.97 54.93 1y9j s GLU 35 Cb 0.00 -3.26 0.19 0.00 -1.78 0.00 0.00 34.13 29.28 1y9j s GLU 35 CO 0.00 0.59 0.44 -2.30 -0.49 0.00 0.00 175.26 173.50 1y9j n PRO 36 N 2.08 -2.03 -3.68 0.39 -0.02 -1.26 -4.97 135.00 125.50 1y9j n PRO 36 Ca -0.12 -0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 60.41 1y9j n PRO 36 Cb 0.52 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1y9j n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1y9j s VAL 37 N -2.30 3.71 -0.21 -1.45 1.01 -1.26 -5.07 120.40 114.82 1y9j s VAL 37 Ca 0.62 -2.09 -0.28 0.00 0.00 0.00 0.00 61.98 60.22 1y9j s VAL 37 Cb -0.18 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1y9j s VAL 37 CO 0.66 -0.75 1.00 0.26 0.00 0.00 0.00 175.10 176.27 1y9j s TRP 38 N 1.04 3.36 -0.12 5.22 0.52 -1.26 -4.89 118.94 122.80 1y9j s TRP 38 Ca 0.09 1.44 -0.00 0.00 0.02 0.00 0.00 56.10 57.65 1y9j s TRP 38 Cb -0.23 -3.23 -0.02 0.00 -1.15 0.00 0.00 33.47 28.84 1y9j s TRP 38 CO -0.03 -0.43 -0.12 0.21 0.02 0.00 0.00 176.95 176.60 1y9j s LYS 39 N 2.97 3.31 0.36 4.98 2.20 -0.34 -3.96 119.74 129.25 1y9j s LYS 39 Ca 0.43 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1y9j s LYS 39 Cb -0.16 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1y9j s LYS 39 CO 0.08 0.28 0.56 0.08 -0.36 0.00 0.00 175.35 175.99 1y9j s VAL 40 N 0.18 4.97 -0.05 4.02 1.01 0.16 -2.75 120.40 127.94 1y9j s VAL 40 Ca -0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1y9j s VAL 40 Cb -0.15 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1y9j s VAL 40 CO 0.05 -0.53 0.13 -1.48 0.00 0.00 0.00 175.10 173.26 1y9j s LEU 41 N -4.34 1.44 -0.27 3.92 0.05 -0.56 0.13 118.68 119.04 1y9j s LEU 41 Ca 0.41 0.26 0.01 0.00 0.05 0.00 0.00 54.13 54.85 1y9j s LEU 41 Cb -0.10 0.43 0.08 0.00 -2.05 0.00 0.00 46.19 44.55 1y9j s LEU 41 CO 0.36 -0.05 0.02 -0.63 -0.55 0.00 0.00 176.35 175.50 1y9j s ILE 42 N 0.18 1.40 0.37 1.48 -1.09 0.72 -2.61 121.20 121.65 1y9j s ILE 42 Ca -0.01 -1.44 0.07 0.00 -2.23 0.00 0.00 60.65 57.05 1y9j s ILE 42 Cb -0.02 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 1y9j s ILE 42 CO -0.00 -0.38 0.38 -0.72 -1.23 0.00 0.00 174.94 172.99 1y9j s TYR 43 N 1.40 2.86 0.00 3.97 -0.85 -1.06 -1.06 117.35 122.61 1y9j s TYR 43 Ca 0.02 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 1y9j s TYR 43 Cb -0.18 -2.03 0.00 0.00 0.38 0.00 0.00 41.96 40.13 1y9j s TYR 43 CO -0.12 -0.03 0.00 -0.25 -1.52 0.00 0.00 175.55 173.63 1y9j n ASP 44 N -1.54 1.47 -0.27 -0.18 8.00 -1.24 -2.52 116.55 120.27 1y9j n ASP 44 Ca 0.02 -0.91 -0.02 0.00 0.71 0.00 0.00 54.79 54.58 1y9j n ASP 44 Cb 0.60 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.74 1y9j n ASP 44 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1y9j h ARG 45 N 0.00 -0.07 0.01 -1.24 -0.00 -2.00 0.74 114.38 111.82 1y9j h ARG 45 Ca 0.00 0.01 -0.24 0.00 -0.50 0.00 0.00 59.98 59.24 1y9j h ARG 45 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 29.97 30.00 1y9j h ARG 45 CO 0.00 -0.05 -1.00 0.74 0.00 0.00 0.00 179.97 179.66 1y9j h PHE 46 N -0.08 0.75 -0.47 3.04 -1.00 -1.96 -2.90 116.94 114.32 1y9j h PHE 46 Ca 0.30 -0.42 0.10 0.00 2.81 0.00 0.00 57.97 60.76 1y9j h PHE 46 Cb 0.57 -0.08 -0.10 0.00 3.61 0.00 0.00 35.95 39.95 1y9j h PHE 46 CO -0.70 1.25 -0.23 0.78 -1.61 0.00 0.00 178.31 177.80 1y9j h GLY 47 N 0.97 0.09 1.94 -1.45 0.00 -1.13 0.16 103.07 103.66 1y9j h GLY 47 Ca -0.10 0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 1y9j h GLY 47 CO 0.18 -0.21 -0.48 0.06 0.00 0.00 0.00 176.54 176.09 1y9j h GLN 48 N -0.12 0.06 0.00 4.80 3.07 -1.07 0.19 115.11 122.04 1y9j h GLN 48 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.93 1y9j h GLN 48 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1y9j h GLN 48 CO -0.55 0.53 0.00 -0.25 0.09 0.00 0.00 178.83 178.65 1y9j n ASP 49 N -3.97 0.19 0.00 0.06 8.00 0.46 -2.07 116.55 119.21 1y9j n ASP 49 Ca -0.02 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1y9j n ASP 49 Cb 0.50 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1y9j n ILE 50 N -1.73 0.00 -0.11 0.53 5.41 -0.62 -4.62 119.36 118.23 1y9j n ILE 50 Ca 0.01 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.66 1y9j n ILE 50 Cb 0.10 -0.65 -0.02 0.00 -0.71 0.00 0.00 39.64 38.36 1y9j n ILE 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1y9j h ILE 51 N 0.00 1.23 0.60 1.39 2.10 -0.64 -3.15 117.51 119.04 1y9j h ILE 51 Ca 0.00 -0.77 -0.03 0.00 1.08 0.00 0.00 64.86 65.14 1y9j h ILE 51 Cb 0.97 1.10 0.01 0.00 -1.09 0.00 0.00 36.82 37.81 1y9j h ILE 51 CO 0.00 0.26 -0.29 -1.28 -1.08 0.00 0.00 178.15 175.76 1y9j h SER 52 N 0.37 -0.68 -0.75 2.19 0.87 -1.52 0.82 113.55 114.85 1y9j h SER 52 Ca 0.10 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.89 1y9j h SER 52 Cb 0.31 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1y9j h SER 52 CO 0.00 -0.46 0.79 -0.65 -0.53 0.00 0.00 176.83 175.99 1y9j h PRO 53 N -0.84 0.00 0.00 2.24 0.11 -1.75 0.56 132.00 132.31 1y9j h PRO 53 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1y9j h PRO 53 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1y9j h PRO 53 CO 0.14 0.00 -0.03 1.28 -0.21 0.00 0.00 178.00 179.17 1y9j n LEU 54 N -3.58 2.06 -3.54 2.35 4.77 -0.98 -5.05 117.00 113.03 1y9j n LEU 54 Ca 0.16 -2.62 -0.08 0.00 -0.03 0.00 0.00 56.01 53.44 1y9j n LEU 54 Cb 1.05 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 1y9j n LEU 54 CO 0.28 0.61 0.76 -0.22 -1.33 0.00 0.00 177.39 177.49 1y9j s LEU 55 N -2.17 -0.32 0.37 2.23 0.20 0.28 -5.01 118.68 114.25 1y9j s LEU 55 Ca 0.21 0.09 0.04 0.00 0.69 0.00 0.00 54.13 55.16 1y9j s LEU 55 Cb 0.19 1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 47.78 1y9j s LEU 55 CO 0.02 -0.49 0.12 -0.44 -0.29 0.00 0.00 176.35 175.27 1y9j s SER 56 N -2.12 2.43 0.04 3.68 0.01 -1.26 -3.84 113.70 112.64 1y9j s SER 56 Ca 0.04 -1.57 -0.25 0.00 1.31 0.00 0.00 55.95 55.48 1y9j s SER 56 Cb -0.01 0.34 -0.17 0.00 0.21 0.00 0.00 66.02 66.39 1y9j s SER 56 CO -0.06 -0.84 1.53 0.58 0.41 0.00 0.00 173.24 174.86 1y9j h VAL 57 N 1.95 1.09 -0.25 3.43 2.07 -1.98 0.13 116.25 122.68 1y9j h VAL 57 Ca -0.36 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1y9j h VAL 57 Cb 1.26 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1y9j h VAL 57 CO 0.59 0.11 -0.17 0.11 0.02 0.00 0.00 177.57 178.24 1y9j h LYS 58 N -0.26 0.44 0.00 1.57 1.57 -2.00 -2.22 116.57 115.67 1y9j h LYS 58 Ca -0.01 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 1y9j h LYS 58 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1y9j h LYS 58 CO 0.01 0.60 -0.67 0.93 -0.57 0.00 0.00 179.45 179.74 1y9j h GLU 59 N 0.40 0.00 -0.11 3.15 4.39 -1.94 -1.22 114.58 119.26 1y9j h GLU 59 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1y9j h GLU 59 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1y9j h GLU 59 CO 0.03 0.67 0.07 -0.07 -1.16 0.00 0.00 179.01 178.56 1y9j h LEU 60 N 0.00 0.12 -0.42 1.33 3.38 -0.14 -0.53 115.31 119.05 1y9j h LEU 60 Ca -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1y9j h LEU 60 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1y9j h LEU 60 CO 0.09 0.10 -0.35 0.03 0.09 0.00 0.00 178.44 178.40 1y9j h ARG 61 N 0.13 0.00 0.00 1.13 2.47 -1.45 -2.87 114.38 113.79 1y9j h ARG 61 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1y9j h ARG 61 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1y9j h ARG 61 CO -0.01 0.35 0.00 0.22 0.56 0.00 0.00 179.97 181.09 1y9j h ASP 62 N 0.00 0.00 1.00 7.04 1.82 -0.73 -3.10 116.42 122.44 1y9j h ASP 62 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1y9j h ASP 62 Cb 1.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1y9j h ASP 62 CO 0.05 0.00 -0.99 0.24 -1.61 0.00 0.00 179.24 176.92 1y9j h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.00 -3.48 114.93 113.59 1y9j h MET 63 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y9j h MET 63 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1y9j h MET 63 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1y9j n GLY 64 N 1.18 1.43 3.67 8.32 0.00 -1.17 -4.98 105.19 113.65 1y9j n GLY 64 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1y9j n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y9j s ILE 65 N -2.00 5.29 -0.35 -0.61 2.07 -1.09 -1.20 121.20 123.30 1y9j s ILE 65 Ca 0.00 0.44 0.23 0.00 -1.41 0.00 0.00 60.65 59.91 1y9j s ILE 65 Cb 0.00 -3.61 0.18 0.00 0.13 0.00 0.00 42.46 39.16 1y9j s ILE 65 CO 0.00 0.31 1.35 0.00 -1.91 0.00 0.00 174.94 174.69 1y9j h THR 66 N 4.97 0.00 -1.24 4.00 1.03 -1.82 -3.42 112.91 116.43 1y9j h THR 66 Ca -0.38 -0.99 0.16 0.00 -0.01 0.00 0.00 66.41 65.19 1y9j h THR 66 Cb 1.16 1.75 -0.31 0.00 -1.07 0.00 0.00 68.15 69.69 1y9j h THR 66 CO 0.70 0.00 0.72 -0.22 -0.01 0.00 0.00 175.52 176.70 1y9j s LEU 67 N -5.78 -0.19 -0.08 0.00 1.98 -1.26 -5.03 118.68 108.32 1y9j s LEU 67 Ca 0.04 0.35 -0.03 0.00 -2.89 0.00 0.00 54.13 51.59 1y9j s LEU 67 Cb 0.07 1.35 0.04 0.00 0.66 0.00 0.00 46.19 48.31 1y9j s LEU 67 CO 0.73 -0.06 0.10 -1.38 -1.89 0.00 0.00 176.35 173.84 1y9j s HIS 68 N 0.33 0.01 0.23 5.38 -3.43 -1.26 -1.50 115.29 115.05 1y9j s HIS 68 Ca 0.03 0.24 -0.10 0.00 -0.80 0.00 0.00 55.06 54.42 1y9j s HIS 68 Cb -0.04 -0.46 -0.01 0.00 -1.43 0.00 0.00 32.58 30.63 1y9j s HIS 68 CO -0.12 -0.29 0.39 -0.48 -2.00 0.00 0.00 174.74 172.24 1y9j s LEU 69 N 2.20 0.54 0.06 5.38 -0.00 -1.07 -5.02 118.68 120.76 1y9j s LEU 69 Ca 0.04 -1.00 -0.29 0.00 -0.00 0.00 0.00 54.13 52.87 1y9j s LEU 69 Cb -0.13 1.45 -0.05 0.00 -0.00 0.00 0.00 46.19 47.46 1y9j s LEU 69 CO -0.05 -1.06 0.95 -0.76 -0.00 0.00 0.00 176.35 175.43 1y9j s LEU 70 N -3.04 4.44 0.61 1.48 1.43 -1.26 -2.55 118.68 119.78 1y9j s LEU 70 Ca 0.25 1.69 0.28 0.00 -1.03 0.00 0.00 54.13 55.32 1y9j s LEU 70 Cb 0.01 -3.54 1.39 0.00 0.03 0.00 0.00 46.19 44.09 1y9j s LEU 70 CO 0.08 -0.14 1.80 -0.07 0.23 0.00 0.00 176.35 178.26 1y9j h LEU 71 N 6.11 0.00 -3.84 1.79 4.07 -1.81 0.38 115.31 122.01 1y9j h LEU 71 Ca -0.42 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 56.97 1y9j h LEU 71 Cb 1.21 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.70 1y9j h LEU 71 CO 0.73 0.00 0.73 1.57 -1.08 0.00 0.00 178.44 180.39 1y9j n HIS 72 N -3.47 2.78 -3.95 1.13 -0.00 -1.26 -4.92 115.22 105.53 1y9j n HIS 72 Ca 0.08 -2.59 -0.10 0.00 0.46 0.00 0.00 57.72 55.57 1y9j n HIS 72 Cb 0.73 -1.26 -0.06 0.00 -0.12 0.00 0.00 29.99 29.28 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1y9j s SER 73 N -1.26 -0.01 -0.25 0.26 0.01 0.13 -5.10 113.70 107.48 1y9j s SER 73 Ca 0.55 -0.85 -0.28 0.00 1.31 0.00 0.00 55.95 56.68 1y9j s SER 73 Cb 0.44 0.48 -0.05 0.00 0.21 0.00 0.00 66.02 67.09 1y9j s SER 73 CO 0.01 -0.95 2.20 -1.81 0.41 0.00 0.00 173.24 173.10 1y9j s ASP 74 N -2.97 5.42 0.36 2.44 1.11 -1.26 -4.86 116.67 116.90 1y9j s ASP 74 Ca 0.18 1.79 -0.18 0.00 0.18 0.00 0.00 52.55 54.51 1y9j s ASP 74 Cb 0.02 -2.51 -0.10 0.00 1.07 0.00 0.00 42.92 41.40 1y9j s ASP 74 CO 0.02 -2.01 0.83 -0.13 1.18 0.00 0.00 175.17 175.06 1y9j s ARG 75 N 6.43 4.14 0.05 8.23 0.52 -1.26 -4.98 118.95 132.08 1y9j s ARG 75 Ca 0.99 0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 56.93 1y9j s ARG 75 Cb -0.31 -2.38 -0.06 0.00 0.52 0.00 0.00 34.95 32.71 1y9j s ARG 75 CO 0.34 0.11 0.49 -0.51 0.02 0.00 0.00 175.30 175.75 1y9j s ASP 76 N -2.16 6.92 -0.47 0.23 1.01 -1.26 -5.04 116.67 115.90 1y9j s ASP 76 Ca 0.56 1.10 -0.27 0.00 0.71 0.00 0.00 52.55 54.65 1y9j s ASP 76 Cb -0.11 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1y9j s ASP 76 CO 0.16 0.27 1.03 -2.16 0.21 0.00 0.00 175.17 174.68 1y9j s PRO 77 N -1.23 3.61 -0.39 8.23 0.04 -1.26 -4.78 135.00 139.22 1y9j s PRO 77 Ca 0.28 0.34 0.08 0.00 0.04 0.00 0.00 61.00 61.74 1y9j s PRO 77 Cb -0.18 -3.92 0.24 0.00 0.04 0.00 0.00 34.50 30.69 1y9j s PRO 77 CO 0.17 -1.32 0.51 -0.89 0.04 0.00 0.00 177.00 175.51 1y9j n ILE 78 N 6.63 -0.71 0.28 0.56 -0.00 0.52 -4.94 119.36 121.70 1y9j n ILE 78 Ca 0.09 -3.98 0.16 0.00 -0.00 0.00 0.00 62.75 59.01 1y9j n ILE 78 Cb 0.49 -1.94 0.83 0.00 -0.00 0.00 0.00 39.64 39.01 1y9j n ILE 78 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1y9j h ARG 79 N 4.11 0.00 -0.81 0.38 -0.00 -1.63 -2.33 114.38 114.10 1y9j h ARG 79 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.02 1y9j h ARG 79 Cb 0.88 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.82 1y9j h ARG 79 CO 0.46 0.07 0.06 -0.40 -0.00 0.00 0.00 179.97 180.15 1y9j n ASP 80 N -3.41 3.59 -3.71 0.08 5.75 -1.26 -2.91 116.55 114.68 1y9j n ASP 80 Ca -0.02 -2.57 -0.13 0.00 -0.01 0.00 0.00 54.79 52.06 1y9j n ASP 80 Cb 0.22 -0.62 -0.13 0.00 -1.03 0.00 0.00 41.12 39.56 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1y9j s VAL 81 N -1.95 -0.13 0.35 2.12 1.01 -0.88 -4.99 120.40 115.93 1y9j s VAL 81 Ca 0.30 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 1y9j s VAL 81 Cb 0.24 -0.38 -0.11 0.00 0.00 0.00 0.00 36.38 36.12 1y9j s VAL 81 CO 0.08 0.08 1.48 -2.65 0.00 0.00 0.00 175.10 174.09 1y9j n PRO 82 N 4.53 2.59 -4.42 2.72 -0.02 -1.25 -2.72 135.00 136.43 1y9j n PRO 82 Ca -0.20 0.91 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 1y9j n PRO 82 Cb 0.52 -2.63 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 1y9j n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y9j s ALA 83 N -0.88 2.99 0.02 3.55 0.00 -1.05 -0.66 121.76 125.73 1y9j s ALA 83 Ca 0.56 -1.90 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1y9j s ALA 83 Cb -0.50 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1y9j s ALA 83 CO 0.60 0.18 -0.13 0.08 0.00 0.00 0.00 175.76 176.49 1y9j s VAL 84 N -2.50 1.05 -0.39 0.00 1.01 0.35 -0.32 120.40 119.60 1y9j s VAL 84 Ca 0.32 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1y9j s VAL 84 Cb -0.02 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.55 1y9j s VAL 84 CO 0.17 0.08 0.20 -0.31 0.00 0.00 0.00 175.10 175.23 1y9j s TYR 85 N -0.69 1.74 -0.89 5.22 1.51 0.26 0.26 117.35 124.76 1y9j s TYR 85 Ca 0.02 -2.14 -0.13 0.00 -1.01 0.00 0.00 57.07 53.81 1y9j s TYR 85 Cb -0.07 -1.71 0.23 0.00 -0.11 0.00 0.00 41.96 40.30 1y9j s TYR 85 CO 0.01 -0.82 0.85 0.12 -1.11 0.00 0.00 175.55 174.60 1y9j s PHE 86 N 0.79 3.83 0.29 2.71 5.36 -0.23 0.13 117.98 130.86 1y9j s PHE 86 Ca 0.16 -2.10 0.00 0.00 -0.96 0.00 0.00 56.93 54.03 1y9j s PHE 86 Cb -0.22 -3.85 -0.02 0.00 -0.34 0.00 0.00 43.02 38.59 1y9j s PHE 86 CO -0.06 -1.01 0.32 0.14 -1.46 0.00 0.00 175.22 173.16 1y9j s VAL 87 N 0.02 0.00 0.28 3.12 -7.23 0.14 -3.66 120.40 113.07 1y9j s VAL 87 Ca 0.21 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 1y9j s VAL 87 Cb -0.10 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 1y9j s VAL 87 CO -0.09 0.00 0.97 -0.32 -0.31 0.00 0.00 175.10 175.35 1y9j s MET 88 N -3.57 4.72 -0.00 4.82 1.75 -1.26 -2.45 119.30 123.32 1y9j s MET 88 Ca 0.35 1.48 -0.04 0.00 -1.25 0.00 0.00 55.69 56.23 1y9j s MET 88 Cb 0.02 -3.10 -0.20 0.00 2.84 0.00 0.00 34.83 34.40 1y9j s MET 88 CO 0.19 0.38 3.19 -0.35 -0.65 0.00 0.00 175.02 177.78 1y9j n PRO 89 N 1.12 1.73 -2.12 4.11 -0.04 -1.26 -4.59 135.00 133.95 1y9j n PRO 89 Ca -0.00 -0.74 -0.30 0.00 -0.04 0.00 0.00 63.50 62.42 1y9j n PRO 89 Cb 0.48 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1y9j n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y9j s THR 90 N 0.72 4.64 0.21 0.52 -4.23 -1.26 -4.74 115.64 111.49 1y9j s THR 90 Ca 0.49 0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 61.44 1y9j s THR 90 Cb 0.23 -3.82 0.20 0.00 1.34 0.00 0.00 72.50 70.45 1y9j s THR 90 CO -0.00 -0.99 1.59 -0.33 -0.54 0.00 0.00 174.62 174.34 1y9j h GLU 91 N -0.18 -0.09 -0.71 3.99 5.08 -1.99 0.60 114.58 121.29 1y9j h GLU 91 Ca -0.45 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1y9j h GLU 91 Cb 1.20 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1y9j h GLU 91 CO 0.62 -0.06 0.22 1.05 -1.00 0.00 0.00 179.01 179.85 1y9j h GLU 92 N -0.09 1.09 -0.28 2.33 9.09 -1.95 -2.61 114.58 122.16 1y9j h GLU 92 Ca 0.29 -0.23 -0.03 0.00 0.05 0.00 0.00 59.36 59.44 1y9j h GLU 92 Cb 0.56 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.48 1y9j h GLU 92 CO -0.75 0.93 0.05 -0.91 0.05 0.00 0.00 179.01 178.38 1y9j h ASN 93 N 1.05 0.44 -0.83 3.06 4.21 -1.03 -2.02 115.58 120.46 1y9j h ASN 93 Ca 0.23 -0.26 0.14 0.00 1.21 0.00 0.00 56.30 57.63 1y9j h ASN 93 Cb 0.29 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.31 1y9j h ASN 93 CO -0.01 0.58 0.54 0.40 -1.29 0.00 0.00 177.43 177.66 1y9j h ILE 94 N 0.28 0.83 0.00 2.81 1.08 0.25 0.47 117.51 123.23 1y9j h ILE 94 Ca 0.09 -0.20 -0.11 0.00 -0.39 0.00 0.00 64.86 64.25 1y9j h ILE 94 Cb 0.33 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1y9j h ILE 94 CO 0.00 0.11 -0.51 -0.78 -0.69 0.00 0.00 178.15 176.28 1y9j h ASP 95 N 0.59 0.00 -0.29 1.72 3.58 -1.09 -2.96 116.42 117.97 1y9j h ASP 95 Ca 0.41 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.73 1y9j h ASP 95 Cb 0.74 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 1y9j h ASP 95 CO -0.17 0.51 -0.34 0.03 -2.88 0.00 0.00 179.24 176.39 1y9j h ARG 96 N 0.00 0.75 -0.47 0.28 2.47 0.60 -0.89 114.38 117.12 1y9j h ARG 96 Ca -0.01 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1y9j h ARG 96 Cb 1.00 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 1y9j h ARG 96 CO 0.07 1.04 0.30 -0.07 0.56 0.00 0.00 179.97 181.86 1y9j h LEU 97 N 0.50 0.54 -0.38 3.04 -0.00 -1.08 0.16 115.31 118.10 1y9j h LEU 97 Ca 0.04 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.82 1y9j h LEU 97 Cb 0.92 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.43 1y9j h LEU 97 CO 0.08 0.40 -0.40 0.00 -0.00 0.00 0.00 178.44 178.52 1y9j h GLN 99 N 0.00 0.40 0.00 0.00 7.50 0.46 -2.87 115.11 120.60 1y9j h GLN 99 Ca -0.00 -0.62 -0.16 0.00 0.50 0.00 0.00 58.65 58.36 1y9j h GLN 99 Cb 1.16 0.22 -0.02 0.00 0.05 0.00 0.00 27.48 28.89 1y9j h GLN 99 CO 0.05 1.28 -0.76 0.38 -1.50 0.00 0.00 178.83 178.28 1y9j h ASP 100 N -0.16 0.00 0.43 1.46 3.04 -0.83 -2.88 116.42 117.47 1y9j h ASP 100 Ca -0.16 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.46 1y9j h ASP 100 Cb 1.73 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 40.01 1y9j h ASP 100 CO 0.18 0.76 -0.71 -0.07 -2.04 0.00 0.00 179.24 177.36 1y9j h LEU 101 N 0.00 0.29 -0.13 0.15 3.38 -1.29 -2.47 115.31 115.24 1y9j h LEU 101 Ca -0.01 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.57 1y9j h LEU 101 Cb 1.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1y9j h LEU 101 CO 0.10 0.90 -0.95 0.03 0.09 0.00 0.00 178.44 178.61 1y9j h ARG 102 N 0.16 0.04 0.00 1.13 3.08 -1.55 -3.19 114.38 114.06 1y9j h ARG 102 Ca -0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1y9j h ARG 102 Cb 1.26 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1y9j h ARG 102 CO 0.11 0.96 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.89 1y9j h ASN 103 N 0.02 0.00 -5.10 7.04 2.35 -1.46 -3.48 115.58 114.95 1y9j h ASN 103 Ca -0.02 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.33 1y9j h ASN 103 Cb 1.66 0.00 0.10 0.00 0.05 0.00 0.00 38.32 40.13 1y9j h ASN 103 CO 0.13 0.17 -0.63 0.00 -1.65 0.00 0.00 177.43 175.45 1y9j n GLN 104 N -3.19 -6.45 -0.11 0.81 6.02 -0.93 -4.88 117.38 108.64 1y9j n GLN 104 Ca 0.02 0.84 0.03 0.00 -0.01 0.00 0.00 57.00 57.88 1y9j n GLN 104 Cb 0.51 -5.75 0.35 0.00 1.02 0.00 0.00 30.24 26.37 1y9j n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1y9j h LEU 105 N -2.07 0.65 -8.35 1.08 3.38 -1.88 -3.40 115.31 104.72 1y9j h LEU 105 Ca -0.54 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.11 1y9j h LEU 105 Cb 1.36 -0.16 -0.19 0.00 0.09 0.00 0.00 40.66 41.76 1y9j h LEU 105 CO 0.55 0.46 -0.74 -0.31 0.09 0.00 0.00 178.44 178.49 1y9j s TYR 106 N -5.66 0.94 0.06 1.13 1.51 -1.26 0.20 117.35 114.27 1y9j s TYR 106 Ca -0.10 -0.61 -0.23 0.00 -1.01 0.00 0.00 57.07 55.13 1y9j s TYR 106 Cb 0.18 -0.53 -0.14 0.00 -0.11 0.00 0.00 41.96 41.35 1y9j s TYR 106 CO 0.76 -0.04 1.55 1.49 -1.11 0.00 0.00 175.55 178.20 1y9j h GLU 107 N 3.90 0.12 -6.14 -0.62 4.81 -1.38 -3.46 114.58 111.82 1y9j h GLU 107 Ca -0.37 -0.03 -0.52 0.00 -0.13 0.00 0.00 59.36 58.31 1y9j h GLU 107 Cb 1.19 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1y9j h GLU 107 CO 0.48 0.30 -0.33 -1.12 -0.73 0.00 0.00 179.01 177.62 1y9j s SER 108 N -5.52 4.91 -0.44 1.04 0.01 -1.26 -4.17 113.70 108.26 1y9j s SER 108 Ca -0.14 -0.92 0.07 0.00 1.31 0.00 0.00 55.95 56.27 1y9j s SER 108 Cb 0.05 -0.17 0.29 0.00 0.21 0.00 0.00 66.02 66.40 1y9j s SER 108 CO 0.69 -0.86 0.87 -1.22 0.41 0.00 0.00 173.24 173.12 1y9j n TYR 109 N -1.68 -2.09 -1.78 2.43 4.02 -0.51 -2.52 117.16 115.03 1y9j n TYR 109 Ca 0.03 -2.53 -0.23 0.00 -0.01 0.00 0.00 57.90 55.16 1y9j n TYR 109 Cb 0.63 0.92 -0.05 0.00 -0.02 0.00 0.00 39.34 40.81 1y9j n TYR 109 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1y9j s TYR 110 N -0.29 1.41 0.47 -0.72 5.04 0.57 -2.97 117.35 120.86 1y9j s TYR 110 Ca 0.31 1.37 -0.20 0.00 -2.44 0.00 0.00 57.07 56.10 1y9j s TYR 110 Cb 0.26 -3.72 -0.09 0.00 0.35 0.00 0.00 41.96 38.75 1y9j s TYR 110 CO -0.13 -1.81 0.99 -0.51 -1.34 0.00 0.00 175.55 172.74 1y9j s LEU 111 N 12.35 3.83 -0.22 6.97 1.43 0.32 0.90 118.68 144.26 1y9j s LEU 111 Ca 0.83 1.75 -0.03 0.00 -1.03 0.00 0.00 54.13 55.65 1y9j s LEU 111 Cb -0.11 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.68 1y9j s LEU 111 CO 0.08 -0.57 0.32 0.20 0.23 0.00 0.00 176.35 176.61 1y9j s ASN 112 N -2.30 0.64 0.03 2.29 -0.87 0.35 0.98 114.94 116.07 1y9j s ASN 112 Ca 0.63 0.09 -0.21 0.00 -1.57 0.00 0.00 52.86 51.80 1y9j s ASN 112 Cb -0.12 0.84 -0.06 0.00 -0.02 0.00 0.00 41.25 41.90 1y9j s ASN 112 CO 0.19 -0.31 0.61 -0.36 -2.57 0.00 0.00 177.10 174.67 1y9j s PHE 113 N 2.46 3.74 0.05 2.20 0.08 -1.22 0.27 117.98 125.56 1y9j s PHE 113 Ca 0.10 1.27 -0.15 0.00 0.12 0.00 0.00 56.93 58.26 1y9j s PHE 113 Cb -0.15 -2.60 -0.27 0.00 -0.57 0.00 0.00 43.02 39.42 1y9j s PHE 113 CO -0.14 0.42 1.12 0.82 -0.10 0.00 0.00 175.22 177.34 1y9j h ILE 114 N 3.92 1.30 -0.70 0.64 1.08 -1.82 -3.37 117.51 118.56 1y9j h ILE 114 Ca -0.46 -2.36 -0.56 0.00 -0.39 0.00 0.00 64.86 61.08 1y9j h ILE 114 Cb 1.21 2.61 -0.04 0.00 -3.07 0.00 0.00 36.82 37.53 1y9j h ILE 114 CO 0.68 0.72 -0.28 -0.55 -0.69 0.00 0.00 178.15 178.03 1y9j s SER 115 N -7.32 4.73 -0.43 1.72 0.15 -1.26 -1.93 113.70 109.36 1y9j s SER 115 Ca -0.10 -1.14 -0.28 0.00 0.70 0.00 0.00 55.95 55.13 1y9j s SER 115 Cb 0.06 0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1y9j s SER 115 CO 0.92 -1.10 1.04 0.00 1.20 0.00 0.00 173.24 175.30 1y9j s ALA 116 N -2.73 3.28 0.31 5.45 0.00 -1.26 -4.77 121.76 122.04 1y9j s ALA 116 Ca 0.40 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1y9j s ALA 116 Cb -0.03 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1y9j s ALA 116 CO 0.24 -1.95 0.49 -1.50 0.00 0.00 0.00 175.76 173.04 1y9j s ILE 117 N 3.97 5.15 0.31 0.00 2.07 -1.26 -5.06 121.20 126.38 1y9j s ILE 117 Ca 0.43 -0.58 0.07 0.00 -1.41 0.00 0.00 60.65 59.16 1y9j s ILE 117 Cb -0.10 -3.85 -0.03 0.00 0.13 0.00 0.00 42.46 38.62 1y9j s ILE 117 CO 0.25 -0.47 0.29 -0.44 -1.91 0.00 0.00 174.94 172.66 1y9j s SER 118 N -3.95 5.44 0.38 4.50 0.01 -1.26 -4.92 113.70 113.90 1y9j s SER 118 Ca 0.38 -0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.35 1y9j s SER 118 Cb -0.10 -1.12 0.87 0.00 0.21 0.00 0.00 66.02 65.89 1y9j s SER 118 CO 0.34 -0.29 1.90 0.03 0.41 0.00 0.00 173.24 175.63 1y9j h ARG 119 N 1.26 0.61 0.01 12.44 2.47 -1.99 0.62 114.38 129.80 1y9j h ARG 119 Ca -0.46 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.25 1y9j h ARG 119 Cb 1.25 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.40 1y9j h ARG 119 CO 0.58 0.40 -0.16 0.77 0.56 0.00 0.00 179.97 182.13 1y9j h SER 120 N 0.63 -0.45 0.59 7.04 0.02 -2.00 0.04 113.55 119.42 1y9j h SER 120 Ca 0.40 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 61.17 1y9j h SER 120 Cb 0.67 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1y9j h SER 120 CO -0.16 -0.22 -1.12 0.11 -1.14 0.00 0.00 176.83 174.30 1y9j h LYS 121 N -0.27 0.27 0.00 3.45 1.57 -1.78 -3.04 116.57 116.78 1y9j h LYS 121 Ca 0.05 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1y9j h LYS 121 Cb 0.32 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1y9j h LYS 121 CO -0.14 1.15 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.80 1y9j h LEU 122 N 0.11 0.00 0.07 2.94 3.38 0.43 -1.47 115.31 120.76 1y9j h LEU 122 Ca -0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.65 1y9j h LEU 122 Cb 1.82 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.59 1y9j h LEU 122 CO 0.18 0.02 -0.88 1.05 0.09 0.00 0.00 178.44 178.90 1y9j h GLU 123 N 0.00 0.47 -0.64 1.13 4.11 -1.00 -2.38 114.58 116.28 1y9j h GLU 123 Ca -0.00 -0.60 0.13 0.00 0.07 0.00 0.00 59.36 58.96 1y9j h GLU 123 Cb 0.03 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.36 1y9j h GLU 123 CO 0.00 1.24 -0.10 -0.44 0.07 0.00 0.00 179.01 179.78 1y9j h ASP 124 N -0.01 -0.48 0.22 3.06 3.32 -1.16 2.37 116.42 123.72 1y9j h ASP 124 Ca -0.13 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1y9j h ASP 124 Cb 1.61 0.36 0.00 0.00 0.22 0.00 0.00 39.33 41.52 1y9j h ASP 124 CO 0.17 -0.18 -0.10 0.40 -1.72 0.00 0.00 179.24 177.80 1y9j h ILE 125 N 0.04 0.85 -1.00 0.35 5.03 -1.50 1.12 117.51 122.40 1y9j h ILE 125 Ca 0.32 -0.77 0.14 0.00 -0.12 0.00 0.00 64.86 64.42 1y9j h ILE 125 Cb 0.51 1.27 -0.09 0.00 -3.03 0.00 0.00 36.82 35.48 1y9j h ILE 125 CO -0.62 0.16 0.63 0.00 -0.68 0.00 0.00 178.15 177.64 1y9j h ALA 126 N -0.06 1.57 -0.01 1.87 0.00 -0.80 0.32 119.26 122.15 1y9j h ALA 126 Ca -0.03 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1y9j h ALA 126 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1y9j h ALA 126 CO 0.05 0.16 -0.76 -0.91 0.00 0.00 0.00 179.25 177.78 1y9j h ASN 127 N 0.93 0.13 -1.06 0.00 -0.26 0.41 -2.90 115.58 112.84 1y9j h ASN 127 Ca 0.51 -0.10 0.30 0.00 -0.56 0.00 0.00 56.30 56.46 1y9j h ASN 127 Cb 0.58 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.75 1y9j h ASN 127 CO -0.28 0.84 0.76 0.00 -1.06 0.00 0.00 177.43 177.68 1y9j h ALA 128 N 1.15 2.91 0.10 -0.83 0.00 0.53 0.46 119.26 123.58 1y9j h ALA 128 Ca -0.02 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1y9j h ALA 128 Cb 1.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1y9j h ALA 128 CO 0.11 -1.22 -1.67 0.00 0.00 0.00 0.00 179.25 176.47 1y9j h ALA 129 N 1.49 0.41 -1.37 0.00 0.00 -1.30 -3.34 119.26 115.15 1y9j h ALA 129 Ca 0.52 -1.24 0.40 0.00 0.00 0.00 0.00 54.91 54.58 1y9j h ALA 129 Cb 1.96 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 20.10 1y9j h ALA 129 CO -0.04 1.27 0.97 -0.07 0.00 0.00 0.00 179.25 181.38 1y9j h LEU 130 N 0.06 0.06 -0.49 0.00 -0.00 0.09 2.09 115.31 117.11 1y9j h LEU 130 Ca -0.29 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.54 1y9j h LEU 130 Cb 2.02 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 42.67 1y9j h LEU 130 CO 0.13 -0.01 0.04 0.00 -0.00 0.00 0.00 178.44 178.61 1y9j h ALA 131 N 1.35 0.66 -0.10 1.53 0.00 -1.63 -3.14 119.26 117.92 1y9j h ALA 131 Ca 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1y9j h ALA 131 Cb 2.58 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1y9j h ALA 131 CO -0.06 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1y9j n ALA 132 N -2.42 2.44 -3.58 0.00 0.00 0.20 -4.99 120.51 112.16 1y9j n ALA 132 Ca 0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.52 1y9j n ALA 132 Cb 0.28 -0.58 0.06 0.00 0.00 0.00 0.00 19.45 19.21 1y9j n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y9j n ASN 133 N 0.95 -1.81 -4.94 0.00 3.02 0.65 -4.99 115.26 108.14 1y9j n ASN 133 Ca 0.11 -0.72 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 1y9j n ASN 133 Cb 0.43 -4.56 -0.01 0.00 -0.61 0.00 0.00 39.78 35.03 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y9j s ALA 134 N -3.51 3.66 -0.42 5.41 0.00 -1.05 -4.99 121.76 120.86 1y9j s ALA 134 Ca 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1y9j s ALA 134 Cb -0.02 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1y9j s ALA 134 CO 0.77 -0.03 0.51 0.08 0.00 0.00 0.00 175.76 177.10 1y9j s VAL 135 N -2.34 4.99 0.18 0.00 1.01 -1.26 -4.77 120.40 118.21 1y9j s VAL 135 Ca 0.41 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1y9j s VAL 135 Cb -0.10 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1y9j s VAL 135 CO 0.36 -0.45 -0.05 0.42 0.00 0.00 0.00 175.10 175.38 1y9j s THR 136 N 2.40 1.02 -0.30 3.92 -4.23 -1.26 -1.43 115.64 115.76 1y9j s THR 136 Ca 0.16 -2.03 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 1y9j s THR 136 Cb -0.16 -2.05 0.14 0.00 1.34 0.00 0.00 72.50 71.78 1y9j s THR 136 CO 0.15 -0.57 0.66 0.00 -0.54 0.00 0.00 174.62 174.33 1y9j s GLN 137 N -3.82 0.56 -0.60 3.99 0.00 -1.16 -4.98 119.66 113.65 1y9j s GLN 137 Ca 0.21 1.34 -0.27 0.00 -0.00 0.00 0.00 55.36 56.64 1y9j s GLN 137 Cb 0.04 0.80 0.03 0.00 0.00 0.00 0.00 33.01 33.89 1y9j s GLN 137 CO 0.03 -0.26 1.14 0.08 0.00 0.00 0.00 175.29 176.28 1y9j s VAL 138 N 2.87 4.07 1.33 3.63 1.01 -1.26 -0.52 120.40 131.54 1y9j s VAL 138 Ca -0.02 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 1y9j s VAL 138 Cb -0.12 -4.71 0.34 0.00 0.00 0.00 0.00 36.38 31.88 1y9j s VAL 138 CO -0.19 -1.37 1.04 0.00 0.00 0.00 0.00 175.10 174.58 1y9j s ALA 139 N 4.81 0.04 0.94 5.51 0.00 0.27 -4.94 121.76 128.39 1y9j s ALA 139 Ca 0.38 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1y9j s ALA 139 Cb -0.09 -2.85 0.16 0.00 0.00 0.00 0.00 23.12 20.33 1y9j s ALA 139 CO 0.22 -4.14 1.09 0.15 0.00 0.00 0.00 175.76 173.08 1y9j s LYS 140 N -5.39 0.89 0.12 0.00 1.02 -1.26 -4.35 119.74 110.76 1y9j s LYS 140 Ca 0.71 0.85 0.06 0.00 0.02 0.00 0.00 55.97 57.60 1y9j s LYS 140 Cb -0.09 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1y9j s LYS 140 CO 0.56 -2.50 -0.00 0.08 -0.92 0.00 0.00 175.35 172.57 1y9j s VAL 141 N -2.86 3.90 -0.00 3.17 1.01 -1.26 -4.32 120.40 120.04 1y9j s VAL 141 Ca 0.64 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1y9j s VAL 141 Cb -0.19 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1y9j s VAL 141 CO 0.58 0.04 -0.04 2.22 0.00 0.00 0.00 175.10 177.90 1y9j n PHE 142 N 0.32 0.00 0.09 5.22 -1.74 -1.26 -4.68 117.46 115.41 1y9j n PHE 142 Ca -0.11 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.83 1y9j n PHE 142 Cb 0.53 -0.10 0.25 0.00 1.52 0.00 0.00 39.48 41.68 1y9j n PHE 142 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1y9j n ASP 143 N -3.29 0.24 0.26 5.98 -0.08 -0.81 -2.13 116.55 116.71 1y9j n ASP 143 Ca -0.05 0.53 0.18 0.00 -1.51 0.00 0.00 54.79 53.94 1y9j n ASP 143 Cb 0.39 -0.53 0.90 0.00 2.34 0.00 0.00 41.12 44.23 1y9j n ASP 143 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1y9j h GLN 144 N 0.00 0.00 0.00 -0.67 -0.00 -1.74 -2.35 115.11 110.35 1y9j h GLN 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y9j h GLN 144 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.77 1y9j h GLN 144 CO 0.00 0.00 -1.32 2.48 0.00 0.00 0.00 178.83 179.99 1y9j n TYR 145 N -3.46 0.00 -4.03 3.99 4.11 -0.91 -4.93 117.16 111.94 1y9j n TYR 145 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 1y9j n TYR 145 Cb 0.29 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.34 39.45 1y9j n TYR 145 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 1y9j n LEU 146 N -1.75 0.00 0.00 -3.48 -0.00 -0.88 -5.21 117.00 105.67 1y9j n LEU 146 Ca -0.01 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.67 1y9j n LEU 146 Cb 0.21 0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1y9j n LEU 146 CO 0.17 -0.05 0.00 0.59 -0.00 0.00 0.00 177.39 178.10