#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 0.00 0.50 0.00 0.02 -2.06 -2.19 113.55 109.82 1y9j h SER 9 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1y9j h SER 9 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1y9j h SER 9 CO 0.00 0.04 -0.24 0.40 -1.14 0.00 0.00 176.83 175.89 1y9j h ILE 10 N 0.00 0.00 -0.62 3.27 1.08 -2.03 -2.98 117.51 116.24 1y9j h ILE 10 Ca -0.00 -0.35 0.18 0.00 -0.39 0.00 0.00 64.86 64.30 1y9j h ILE 10 Cb 0.07 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 1y9j h ILE 10 CO 0.00 0.00 0.55 -0.09 -0.69 0.00 0.00 178.15 177.93 1y9j h ARG 11 N -1.02 0.00 0.28 2.37 9.65 -1.98 -0.54 114.38 123.14 1y9j h ARG 11 Ca -0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1y9j h ARG 11 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1y9j h ARG 11 CO 0.11 0.00 -0.14 0.93 2.80 0.00 0.00 179.97 183.68 1y9j h GLU 12 N 0.00 -0.37 -0.93 0.20 5.08 -1.32 -2.82 114.58 114.42 1y9j h GLU 12 Ca 0.29 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.84 1y9j h GLU 12 Cb 1.39 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.65 1y9j h GLU 12 CO -0.00 -0.13 0.60 0.00 -1.00 0.00 0.00 179.01 178.47 1y9j h ARG 13 N -0.55 0.66 -0.43 2.33 3.08 -0.94 -0.74 114.38 117.79 1y9j h ARG 13 Ca -0.04 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.05 1y9j h ARG 13 Cb 0.41 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 1y9j h ARG 13 CO 0.06 0.44 0.01 1.96 -1.07 0.00 0.00 179.97 181.37 1y9j h GLN 14 N 0.68 0.12 0.00 0.04 4.20 -1.30 -0.59 115.11 118.26 1y9j h GLN 14 Ca 0.49 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 59.12 1y9j h GLN 14 Cb 0.83 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1y9j h GLN 14 CO -0.25 0.08 -0.36 1.79 -0.67 0.00 0.00 178.83 179.42 1y9j h THR 15 N 0.12 0.95 -0.01 -0.54 1.35 -1.06 -3.02 112.91 110.70 1y9j h THR 15 Ca 0.21 -1.39 0.03 0.00 -0.55 0.00 0.00 66.41 64.71 1y9j h THR 15 Cb 0.30 1.82 -0.05 0.00 -1.73 0.00 0.00 68.15 68.50 1y9j h THR 15 CO -0.34 0.35 -0.30 0.58 -0.25 0.00 0.00 175.52 175.56 1y9j h VAL 16 N 0.00 0.34 -0.48 6.82 2.07 -0.31 1.03 116.25 125.72 1y9j h VAL 16 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1y9j h VAL 16 Cb 0.80 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1y9j h VAL 16 CO 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.50 1y9j h ALA 17 N 0.33 0.85 0.28 1.67 0.00 -1.56 -2.75 119.26 118.08 1y9j h ALA 17 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1y9j h ALA 17 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1y9j h ALA 17 CO -0.26 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.43 1y9j h LEU 18 N 0.81 -0.32 -1.71 0.00 3.38 -1.26 -3.06 115.31 113.15 1y9j h LEU 18 Ca 0.12 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.50 1y9j h LEU 18 Cb 0.67 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1y9j h LEU 18 CO 0.05 -0.19 0.92 0.11 0.09 0.00 0.00 178.44 179.41 1y9j h LYS 19 N -0.45 0.10 0.22 1.13 1.57 0.99 0.38 116.57 120.52 1y9j h LYS 19 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1y9j h LYS 19 Cb 0.29 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1y9j h LYS 19 CO 0.06 0.07 -0.13 0.00 -0.57 0.00 0.00 179.45 178.88 1y9j h ARG 20 N 0.11 -0.33 0.00 3.15 3.08 -1.40 0.89 114.38 119.88 1y9j h ARG 20 Ca 0.70 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1y9j h ARG 20 Cb 2.46 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.58 1y9j h ARG 20 CO -0.17 -0.22 -0.26 0.00 -1.07 0.00 0.00 179.97 178.24 1y9j n MET 21 N -5.25 0.23 0.00 0.04 0.00 0.44 0.15 117.12 112.72 1y9j n MET 21 Ca -0.09 0.13 0.11 0.00 0.00 0.00 0.00 57.70 57.85 1y9j n MET 21 Cb 0.17 -1.71 -0.05 0.00 0.00 0.00 0.00 33.22 31.63 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 -2.07 0.77 0.00 3.17 4.77 0.10 -4.67 117.00 119.08 1y9j n LEU 22 Ca 0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1y9j n LEU 22 Cb 0.42 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1y9j n LEU 22 CO 0.33 0.18 -0.19 0.59 -1.33 0.00 0.00 177.39 176.96 1y9j n ASN 23 N -1.64 1.51 -4.44 -1.43 3.02 0.31 -4.82 115.26 107.76 1y9j n ASN 23 Ca 0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.15 1y9j n ASN 23 Cb 0.37 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.38 2.77 0.17 3.10 5.36 0.12 -5.02 117.98 123.11 1y9j s PHE 24 Ca 0.00 -0.59 -0.30 0.00 -0.96 0.00 0.00 56.93 55.08 1y9j s PHE 24 Cb 0.00 -4.18 -0.07 0.00 -0.34 0.00 0.00 43.02 38.43 1y9j s PHE 24 CO 0.00 -1.52 1.03 0.54 -1.46 0.00 0.00 175.22 173.81 1y9j s ASN 25 N 3.55 7.41 0.54 6.13 4.22 -1.26 -4.40 114.94 131.13 1y9j s ASN 25 Ca 0.20 1.98 -0.19 0.00 -2.14 0.00 0.00 52.86 52.71 1y9j s ASN 25 Cb -0.18 -2.60 -0.06 0.00 1.28 0.00 0.00 41.25 39.69 1y9j s ASN 25 CO 0.10 -0.10 1.09 0.68 -2.04 0.00 0.00 177.10 176.84 1y9j s VAL 26 N -0.39 3.44 -0.41 3.54 -7.23 -1.26 -4.88 120.40 113.21 1y9j s VAL 26 Ca 0.47 0.85 -0.35 0.00 -1.81 0.00 0.00 61.98 61.14 1y9j s VAL 26 Cb -0.27 -3.33 -0.12 0.00 0.56 0.00 0.00 36.38 33.22 1y9j s VAL 26 CO 0.33 -0.24 2.24 -2.65 -0.31 0.00 0.00 175.10 174.47 1y9j n PRO 27 N -1.38 0.97 -4.40 4.82 -0.02 -1.26 -4.94 135.00 128.78 1y9j n PRO 27 Ca 0.10 0.24 -0.24 0.00 -2.02 0.00 0.00 63.50 61.58 1y9j n PRO 27 Cb 0.52 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1y9j s HIS 28 N 7.76 2.44 0.12 6.00 2.46 -1.26 -5.10 115.29 127.72 1y9j s HIS 28 Ca 1.11 -0.29 -0.31 0.00 0.47 0.00 0.00 55.06 56.04 1y9j s HIS 28 Cb -0.85 -1.09 -0.08 0.00 -0.13 0.00 0.00 32.58 30.43 1y9j s HIS 28 CO 0.48 0.66 1.45 0.08 -2.47 0.00 0.00 174.74 174.94 1y9j s VAL 29 N -2.33 3.10 -0.37 0.89 1.01 -1.26 -4.99 120.40 116.45 1y9j s VAL 29 Ca 0.29 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1y9j s VAL 29 Cb -0.06 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1y9j s VAL 29 CO 0.16 0.06 0.27 -0.54 0.00 0.00 0.00 175.10 175.04 1y9j s LYS 30 N 1.21 3.26 -0.01 2.72 1.02 -1.26 -4.94 119.74 121.74 1y9j s LYS 30 Ca 0.66 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1y9j s LYS 30 Cb -0.39 -3.88 -0.26 0.00 -0.52 0.00 0.00 37.83 32.79 1y9j s LYS 30 CO 0.30 -0.58 0.79 -0.91 -0.92 0.00 0.00 175.35 174.03 1y9j h ASN 31 N 8.55 0.26 -4.26 2.83 2.35 -1.96 -3.47 115.58 119.88 1y9j h ASN 31 Ca -0.29 -0.41 -0.53 0.00 -0.55 0.00 0.00 56.30 54.52 1y9j h ASN 31 Cb 1.14 -0.08 -0.23 0.00 0.05 0.00 0.00 38.32 39.20 1y9j h ASN 31 CO 0.68 1.35 -0.82 -0.44 -1.65 0.00 0.00 177.43 176.55 1y9j s SER 32 N -6.74 2.29 -0.52 5.81 0.01 -1.26 -5.09 113.70 108.19 1y9j s SER 32 Ca -0.09 -0.62 -0.28 0.00 1.31 0.00 0.00 55.95 56.28 1y9j s SER 32 Cb 0.07 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 1y9j s SER 32 CO 0.83 0.06 1.60 -2.16 0.41 0.00 0.00 173.24 173.98 1y9j s PRO 33 N -1.64 3.15 0.00 12.44 0.04 -1.26 -2.81 135.00 144.91 1y9j s PRO 33 Ca 0.05 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1y9j s PRO 33 Cb -0.10 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1y9j s PRO 33 CO 0.03 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1y9j n GLY 34 N 5.39 1.17 3.67 0.56 0.00 -1.26 -5.06 105.19 109.66 1y9j n GLY 34 Ca 0.17 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.64 4.28 0.35 1.61 0.41 -1.13 -5.02 118.70 117.57 1y9j s GLU 35 Ca 0.00 0.87 -0.27 0.00 -0.41 0.00 0.00 54.97 55.16 1y9j s GLU 35 Cb 0.00 -3.56 -0.12 0.00 -1.78 0.00 0.00 34.13 28.67 1y9j s GLU 35 CO 0.00 -0.26 1.08 -2.30 -0.49 0.00 0.00 175.26 173.30 1y9j n PRO 36 N 5.02 1.56 -3.62 0.39 -0.02 -1.26 -4.96 135.00 132.11 1y9j n PRO 36 Ca 0.02 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 1y9j n PRO 36 Cb 0.49 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.15 3.96 0.79 -1.45 1.01 -1.26 -5.08 120.40 117.21 1y9j s VAL 37 Ca 0.59 -2.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 1y9j s VAL 37 Cb -0.61 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.21 1y9j s VAL 37 CO 0.59 -0.78 1.10 0.26 0.00 0.00 0.00 175.10 176.28 1y9j s TRP 38 N 1.08 2.45 -0.08 5.22 0.52 -1.26 -4.99 118.94 121.89 1y9j s TRP 38 Ca 0.08 1.59 -0.03 0.00 0.02 0.00 0.00 56.10 57.76 1y9j s TRP 38 Cb -0.24 -3.09 0.04 0.00 -1.15 0.00 0.00 33.47 29.03 1y9j s TRP 38 CO -0.02 -1.93 0.17 0.15 0.02 0.00 0.00 176.95 175.34 1y9j s LYS 39 N -4.83 0.08 0.45 4.98 1.02 -0.37 -3.96 119.74 117.12 1y9j s LYS 39 Ca 0.62 0.49 -0.02 0.00 0.02 0.00 0.00 55.97 57.08 1y9j s LYS 39 Cb -0.18 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.91 1y9j s LYS 39 CO 0.56 -0.23 0.71 0.08 -0.92 0.00 0.00 175.35 175.55 1y9j s VAL 40 N 1.72 4.54 -0.04 3.17 1.01 0.13 -2.69 120.40 128.23 1y9j s VAL 40 Ca -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1y9j s VAL 40 Cb -0.12 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1y9j s VAL 40 CO -0.06 -0.58 0.11 -0.22 0.00 0.00 0.00 175.10 174.35 1y9j s LEU 41 N -4.62 1.58 -0.21 3.92 2.96 -0.40 0.16 118.68 122.07 1y9j s LEU 41 Ca 0.47 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.55 1y9j s LEU 41 Cb -0.10 0.40 0.06 0.00 0.50 0.00 0.00 46.19 47.05 1y9j s LEU 41 CO 0.41 -0.06 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.74 1y9j s ILE 42 N -0.06 0.95 0.30 6.68 -1.09 0.87 -2.64 121.20 126.21 1y9j s ILE 42 Ca -0.01 -0.85 0.11 0.00 -2.23 0.00 0.00 60.65 57.67 1y9j s ILE 42 Cb -0.01 -1.36 -0.05 0.00 -1.58 0.00 0.00 42.46 39.45 1y9j s ILE 42 CO 0.00 -0.17 -0.13 -0.72 -1.23 0.00 0.00 174.94 172.69 1y9j s TYR 43 N 1.66 2.40 0.00 3.97 -0.85 -1.13 -0.39 117.35 123.01 1y9j s TYR 43 Ca -0.03 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 1y9j s TYR 43 Cb -0.18 -1.15 0.00 0.00 0.38 0.00 0.00 41.96 41.01 1y9j s TYR 43 CO -0.07 0.65 0.00 -3.47 -1.52 0.00 0.00 175.55 171.14 1y9j n ASP 44 N -0.73 0.98 -0.29 -0.18 2.03 -1.24 -3.12 116.55 113.99 1y9j n ASP 44 Ca -0.05 -0.92 0.11 0.00 0.52 0.00 0.00 54.79 54.45 1y9j n ASP 44 Cb 0.61 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.28 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1y9j h ARG 45 N 0.00 0.37 0.09 -0.67 -0.00 -2.00 -0.58 114.38 111.58 1y9j h ARG 45 Ca 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.98 59.82 1y9j h ARG 45 Cb 0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 29.97 29.90 1y9j h ARG 45 CO 0.00 0.24 -0.66 0.74 -0.00 0.00 0.00 179.97 180.29 1y9j h PHE 46 N 0.38 0.33 -1.38 4.08 -1.00 -1.95 -2.86 116.94 114.54 1y9j h PHE 46 Ca 0.53 -0.24 0.40 0.00 2.81 0.00 0.00 57.97 61.46 1y9j h PHE 46 Cb 0.97 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.46 1y9j h PHE 46 CO -0.17 1.25 1.04 0.78 -1.61 0.00 0.00 178.31 179.61 1y9j h GLY 47 N -0.55 0.00 1.10 -1.45 0.00 -1.52 1.70 103.07 102.36 1y9j h GLY 47 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.90 1y9j h GLY 47 CO 0.07 0.00 -1.63 0.06 0.00 0.00 0.00 176.54 175.04 1y9j h GLN 48 N 0.00 0.13 0.00 4.80 3.07 -1.21 -1.84 115.11 120.07 1y9j h GLN 48 Ca 0.66 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1y9j h GLN 48 Cb 2.73 0.09 0.00 0.00 0.08 0.00 0.00 27.48 30.38 1y9j h GLN 48 CO -0.01 0.89 0.00 -3.47 0.09 0.00 0.00 178.83 176.33 1y9j n ASP 49 N -3.30 0.19 0.00 0.06 2.03 0.57 -1.87 116.55 114.23 1y9j n ASP 49 Ca -0.18 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1y9j n ASP 49 Cb 1.04 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1y9j n ILE 50 N -1.74 0.00 -0.11 5.18 -0.00 -0.47 -4.57 119.36 117.66 1y9j n ILE 50 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.64 1y9j n ILE 50 Cb 0.06 -0.61 -0.03 0.00 -0.00 0.00 0.00 39.64 39.06 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 1.29 0.59 1.39 2.10 -1.28 -3.24 117.51 118.37 1y9j h ILE 51 Ca 0.00 -1.27 -0.03 0.00 1.08 0.00 0.00 64.86 64.64 1y9j h ILE 51 Cb 0.94 1.44 0.01 0.00 -1.09 0.00 0.00 36.82 38.12 1y9j h ILE 51 CO 0.00 0.41 -0.28 -1.28 -1.08 0.00 0.00 178.15 175.91 1y9j h SER 52 N 0.43 -0.67 -0.56 2.19 0.87 -1.47 0.60 113.55 114.93 1y9j h SER 52 Ca 0.07 -0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.79 1y9j h SER 52 Cb 0.69 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1y9j h SER 52 CO 0.05 -0.43 0.73 1.55 -0.53 0.00 0.00 176.83 178.20 1y9j h PRO 53 N -0.88 0.00 0.00 2.24 0.13 -1.76 0.51 132.00 132.24 1y9j h PRO 53 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1y9j h PRO 53 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1y9j h PRO 53 CO 0.13 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 179.14 1y9j n LEU 54 N -3.40 1.91 -3.53 1.56 4.77 -1.05 -5.05 117.00 112.20 1y9j n LEU 54 Ca 0.11 -2.40 -0.10 0.00 -0.03 0.00 0.00 56.01 53.60 1y9j n LEU 54 Cb 0.93 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 1y9j n LEU 54 CO 0.23 0.57 0.70 -0.22 -1.33 0.00 0.00 177.39 177.34 1y9j s LEU 55 N -1.88 -0.39 0.41 2.23 0.20 0.21 -5.02 118.68 114.43 1y9j s LEU 55 Ca 0.17 0.21 0.04 0.00 0.69 0.00 0.00 54.13 55.25 1y9j s LEU 55 Cb 0.15 2.00 -0.02 0.00 -0.43 0.00 0.00 46.19 47.89 1y9j s LEU 55 CO 0.02 -0.51 0.14 -0.55 -0.29 0.00 0.00 176.35 175.16 1y9j s SER 56 N -1.84 2.73 0.05 3.68 0.15 -1.26 -3.82 113.70 113.38 1y9j s SER 56 Ca 0.01 -1.69 -0.24 0.00 0.70 0.00 0.00 55.95 54.73 1y9j s SER 56 Cb -0.01 0.52 -0.17 0.00 -1.71 0.00 0.00 66.02 64.66 1y9j s SER 56 CO -0.03 -0.95 1.57 0.58 1.20 0.00 0.00 173.24 175.61 1y9j h VAL 57 N 1.80 1.09 -0.20 4.45 2.07 -1.98 0.33 116.25 123.81 1y9j h VAL 57 Ca -0.34 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1y9j h VAL 57 Cb 1.27 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1y9j h VAL 57 CO 0.55 0.10 -0.28 0.07 0.02 0.00 0.00 177.57 178.03 1y9j h LYS 58 N -0.21 0.38 -0.02 1.57 2.10 -1.99 -2.38 116.57 116.02 1y9j h LYS 58 Ca -0.00 -0.15 -0.16 0.00 -2.00 0.00 0.00 60.65 58.34 1y9j h LYS 58 Cb 0.20 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 1y9j h LYS 58 CO 0.01 0.63 -0.73 0.93 -2.00 0.00 0.00 179.45 178.29 1y9j h GLU 59 N 0.34 0.14 0.18 0.07 4.39 -1.93 -0.26 114.58 117.52 1y9j h GLU 59 Ca 0.05 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1y9j h GLU 59 Cb 0.67 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1y9j h GLU 59 CO 0.05 0.81 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.51 1y9j h LEU 60 N 0.09 -0.33 -0.59 1.33 3.38 0.14 -0.56 115.31 118.76 1y9j h LEU 60 Ca -0.02 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1y9j h LEU 60 Cb 1.29 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1y9j h LEU 60 CO 0.11 -0.21 -0.30 0.03 0.09 0.00 0.00 178.44 178.16 1y9j h ARG 61 N -0.32 0.00 0.00 1.13 2.47 -1.46 -2.83 114.38 113.38 1y9j h ARG 61 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1y9j h ARG 61 Cb 0.28 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1y9j h ARG 61 CO 0.00 0.30 -0.02 0.22 0.56 0.00 0.00 179.97 181.02 1y9j h ASP 62 N 0.00 0.00 1.11 7.04 3.58 -0.54 -2.95 116.42 124.67 1y9j h ASP 62 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1y9j h ASP 62 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1y9j h ASP 62 CO 0.04 0.02 -0.87 0.24 -2.88 0.00 0.00 179.24 175.79 1y9j h MET 63 N 0.00 0.00 0.00 0.28 2.86 -0.99 -3.48 114.93 113.61 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 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 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 1.00 3.64 8.32 0.00 -1.11 -4.94 105.19 113.27 1y9j n GLY 64 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.80 5.27 -0.76 -0.61 2.07 -1.08 -1.23 121.20 123.05 1y9j s ILE 65 Ca 0.00 0.15 0.25 0.00 -1.41 0.00 0.00 60.65 59.64 1y9j s ILE 65 Cb 0.00 -3.46 0.11 0.00 0.13 0.00 0.00 42.46 39.23 1y9j s ILE 65 CO 0.00 0.34 1.49 1.07 -1.91 0.00 0.00 174.94 175.93 1y9j n THR 66 N 4.41 0.30 -3.65 4.00 5.66 -1.10 -4.58 114.28 119.31 1y9j n THR 66 Ca -0.15 -0.19 -0.01 0.00 -3.05 0.00 0.00 64.05 60.64 1y9j n THR 66 Cb 0.52 -0.18 -0.07 0.00 -1.55 0.00 0.00 70.33 69.05 1y9j n THR 66 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1y9j s LEU 67 N -3.92 -0.00 -0.07 1.09 1.98 -1.26 -5.01 118.68 111.48 1y9j s LEU 67 Ca 0.09 0.00 -0.03 0.00 -2.89 0.00 0.00 54.13 51.30 1y9j s LEU 67 Cb 0.15 1.00 0.04 0.00 0.66 0.00 0.00 46.19 48.04 1y9j s LEU 67 CO 0.67 -0.00 0.11 -1.38 -1.89 0.00 0.00 176.35 173.86 1y9j s HIS 68 N 0.13 -0.05 0.22 5.38 -3.43 -1.26 -1.27 115.29 115.01 1y9j s HIS 68 Ca 0.06 0.39 -0.09 0.00 -0.80 0.00 0.00 55.06 54.62 1y9j s HIS 68 Cb -0.05 -0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 30.70 1y9j s HIS 68 CO -0.16 -0.25 0.36 -0.48 -2.00 0.00 0.00 174.74 172.21 1y9j s LEU 69 N 2.23 0.62 0.01 5.38 -0.00 -1.08 -5.02 118.68 120.82 1y9j s LEU 69 Ca 0.04 -1.02 -0.26 0.00 -0.00 0.00 0.00 54.13 52.90 1y9j s LEU 69 Cb -0.12 1.35 -0.05 0.00 -0.00 0.00 0.00 46.19 47.37 1y9j s LEU 69 CO -0.05 -1.02 0.80 -0.76 -0.00 0.00 0.00 176.35 175.32 1y9j s LEU 70 N -3.04 4.40 0.58 1.48 1.43 -1.26 -2.86 118.68 119.42 1y9j s LEU 70 Ca 0.25 1.44 0.30 0.00 -1.03 0.00 0.00 54.13 55.09 1y9j s LEU 70 Cb 0.02 -3.27 1.39 0.00 0.03 0.00 0.00 46.19 44.35 1y9j s LEU 70 CO 0.08 -0.07 1.76 -0.07 0.23 0.00 0.00 176.35 178.28 1y9j h LEU 71 N 6.13 0.00 -3.72 1.79 4.07 -1.89 0.73 115.31 122.42 1y9j h LEU 71 Ca -0.43 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.04 1y9j h LEU 71 Cb 1.21 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.71 1y9j h LEU 71 CO 0.73 0.00 0.63 1.57 -1.08 0.00 0.00 178.44 180.29 1y9j n HIS 72 N -3.71 2.53 -3.91 1.13 -0.00 -1.26 -4.90 115.22 105.11 1y9j n HIS 72 Ca 0.15 -2.19 -0.09 0.00 0.46 0.00 0.00 57.72 56.05 1y9j n HIS 72 Cb 0.96 -1.08 -0.08 0.00 -0.12 0.00 0.00 29.99 29.67 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 -0.97 0.18 -0.53 0.26 0.01 0.25 -5.08 113.70 107.83 1y9j s SER 73 Ca 0.49 -0.64 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 1y9j s SER 73 Cb 0.40 0.28 -0.09 0.00 0.21 0.00 0.00 66.02 66.82 1y9j s SER 73 CO 0.03 -0.64 2.42 0.47 0.41 0.00 0.00 173.24 175.94 1y9j n ASP 74 N 0.25 2.09 -4.80 2.44 8.00 -1.26 -4.81 116.55 118.45 1y9j n ASP 74 Ca -0.16 -0.26 -0.33 0.00 0.71 0.00 0.00 54.79 54.75 1y9j n ASP 74 Cb 0.61 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 1y9j n ASP 74 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1y9j s ARG 75 N 8.04 3.41 -0.08 -1.24 3.52 -1.26 -5.00 118.95 126.33 1y9j s ARG 75 Ca 1.05 1.21 -0.04 0.00 -0.13 0.00 0.00 55.73 57.82 1y9j s ARG 75 Cb -0.41 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.90 1y9j s ARG 75 CO 0.32 -0.74 0.10 0.34 -0.81 0.00 0.00 175.30 174.51 1y9j s ASP 76 N -2.72 5.95 -0.46 -2.12 -1.08 -1.26 -5.07 116.67 109.92 1y9j s ASP 76 Ca 0.64 0.31 -0.25 0.00 -0.52 0.00 0.00 52.55 52.73 1y9j s ASP 76 Cb -0.16 -1.83 0.03 0.00 -1.46 0.00 0.00 42.92 39.50 1y9j s ASP 76 CO 0.35 0.36 0.89 -2.16 0.52 0.00 0.00 175.17 175.13 1y9j s PRO 77 N -1.20 3.51 -0.43 4.34 0.04 -1.26 -4.77 135.00 135.22 1y9j s PRO 77 Ca 0.17 0.10 0.09 0.00 0.04 0.00 0.00 61.00 61.40 1y9j s PRO 77 Cb -0.12 -3.93 0.32 0.00 0.04 0.00 0.00 34.50 30.81 1y9j s PRO 77 CO 0.07 -1.19 0.72 -0.89 0.04 0.00 0.00 177.00 175.75 1y9j n ILE 78 N 6.34 0.46 0.33 0.56 -0.00 0.56 -4.92 119.36 122.68 1y9j n ILE 78 Ca 0.05 -4.67 0.21 0.00 -0.00 0.00 0.00 62.75 58.34 1y9j n ILE 78 Cb 0.48 -1.01 1.11 0.00 -0.00 0.00 0.00 39.64 40.23 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 3.33 0.00 -0.78 0.38 -0.00 0.18 -1.20 114.38 116.29 1y9j h ARG 79 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.05 1y9j h ARG 79 Cb 0.84 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.79 1y9j h ARG 79 CO 0.57 0.00 0.04 -3.47 -0.00 0.00 0.00 179.97 177.12 1y9j n ASP 80 N -2.98 3.76 -3.70 0.08 2.03 -1.26 -2.66 116.55 111.81 1y9j n ASP 80 Ca -0.03 -2.60 -0.11 0.00 0.52 0.00 0.00 54.79 52.58 1y9j n ASP 80 Cb 0.12 -0.62 -0.12 0.00 -0.72 0.00 0.00 41.12 39.78 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1y9j s VAL 81 N -2.03 -0.12 0.10 5.18 1.01 -0.45 -4.98 120.40 119.11 1y9j s VAL 81 Ca 0.32 0.14 -0.32 0.00 0.00 0.00 0.00 61.98 62.12 1y9j s VAL 81 Cb 0.25 -0.52 -0.12 0.00 0.00 0.00 0.00 36.38 35.99 1y9j s VAL 81 CO 0.09 0.06 1.79 -2.65 0.00 0.00 0.00 175.10 174.38 1y9j n PRO 82 N 4.46 2.57 -3.67 2.72 -0.02 -1.25 -2.86 135.00 136.94 1y9j n PRO 82 Ca -0.21 0.93 -0.20 0.00 -2.02 0.00 0.00 63.50 62.00 1y9j n PRO 82 Cb 0.53 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.48 4.00 -0.00 3.55 0.00 -1.08 0.18 121.76 130.88 1y9j s ALA 83 Ca 0.83 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1y9j s ALA 83 Cb -0.56 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1y9j s ALA 83 CO 0.39 -0.04 -0.11 0.08 0.00 0.00 0.00 175.76 176.09 1y9j s VAL 84 N -2.29 0.84 -0.54 0.00 1.01 0.42 -0.17 120.40 119.68 1y9j s VAL 84 Ca 0.43 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.97 1y9j s VAL 84 Cb -0.07 -0.71 0.23 0.00 0.00 0.00 0.00 36.38 35.83 1y9j s VAL 84 CO 0.28 0.20 0.59 -1.22 0.00 0.00 0.00 175.10 174.95 1y9j n TYR 85 N 2.72 1.71 -2.70 5.22 4.02 0.34 0.30 117.16 128.76 1y9j n TYR 85 Ca -0.14 -3.88 -0.42 0.00 -0.01 0.00 0.00 57.90 53.45 1y9j n TYR 85 Cb 0.56 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 1y9j n TYR 85 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1y9j s PHE 86 N -1.61 2.77 0.35 -0.72 5.36 0.48 -1.03 117.98 123.58 1y9j s PHE 86 Ca 0.35 -1.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.28 1y9j s PHE 86 Cb 0.12 -4.54 -0.03 0.00 -0.34 0.00 0.00 43.02 38.22 1y9j s PHE 86 CO -0.09 -1.76 0.16 0.14 -1.46 0.00 0.00 175.22 172.21 1y9j s VAL 87 N 4.07 0.42 0.49 3.12 -7.23 0.22 -3.65 120.40 117.85 1y9j s VAL 87 Ca 0.41 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 1y9j s VAL 87 Cb -0.02 -2.45 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 1y9j s VAL 87 CO -0.09 0.00 1.16 -0.04 -0.31 0.00 0.00 175.10 175.82 1y9j s MET 88 N -3.72 3.61 -0.40 4.82 -1.94 -1.26 -2.85 119.30 117.56 1y9j s MET 88 Ca 0.32 1.74 -0.03 0.00 -1.71 0.00 0.00 55.69 56.01 1y9j s MET 88 Cb 0.04 -2.28 0.13 0.00 2.01 0.00 0.00 34.83 34.73 1y9j s MET 88 CO 0.18 -0.67 2.46 -0.35 -0.01 0.00 0.00 175.02 176.63 1y9j n PRO 89 N -0.76 2.17 -3.56 2.03 -0.04 -1.26 -4.60 135.00 128.98 1y9j n PRO 89 Ca 0.09 -2.05 -0.28 0.00 -0.04 0.00 0.00 63.50 61.22 1y9j n PRO 89 Cb 0.49 -1.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.31 5.14 0.28 0.52 -4.23 -1.26 -4.79 115.64 108.98 1y9j s THR 90 Ca 0.48 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1y9j s THR 90 Cb 0.33 -3.74 0.34 0.00 1.34 0.00 0.00 72.50 70.78 1y9j s THR 90 CO -0.13 -0.24 1.61 -0.33 -0.54 0.00 0.00 174.62 174.99 1y9j h GLU 91 N 1.83 0.09 -0.82 3.99 5.08 -2.00 0.61 114.58 123.36 1y9j h GLU 91 Ca -0.48 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1y9j h GLU 91 Cb 1.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1y9j h GLU 91 CO 0.67 0.06 0.43 1.05 -1.00 0.00 0.00 179.01 180.22 1y9j h GLU 92 N 0.09 1.15 -0.43 2.33 4.11 -1.95 -2.32 114.58 117.55 1y9j h GLU 92 Ca 0.53 -0.14 -0.11 0.00 0.07 0.00 0.00 59.36 59.71 1y9j h GLU 92 Cb 1.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1y9j h GLU 92 CO -0.77 0.86 -0.16 -0.91 0.07 0.00 0.00 179.01 178.09 1y9j h ASN 93 N 1.16 0.83 -0.85 3.06 2.35 -0.12 -2.48 115.58 119.52 1y9j h ASN 93 Ca 0.29 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1y9j h ASN 93 Cb 0.05 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 1y9j h ASN 93 CO -0.04 0.99 0.56 0.40 -1.65 0.00 0.00 177.43 177.68 1y9j h ILE 94 N 0.73 1.05 0.00 2.81 1.08 -0.45 0.87 117.51 123.61 1y9j h ILE 94 Ca 0.11 -0.33 -0.11 0.00 -0.39 0.00 0.00 64.86 64.15 1y9j h ILE 94 Cb 0.67 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1y9j h ILE 94 CO 0.05 0.17 -0.52 0.44 -0.69 0.00 0.00 178.15 177.60 1y9j h ASP 95 N 0.95 0.00 -0.52 1.72 5.19 -1.15 -2.98 116.42 119.64 1y9j h ASP 95 Ca 0.37 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.68 1y9j h ASP 95 Cb 0.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 1y9j h ASP 95 CO -0.13 0.52 -0.05 0.03 -3.12 0.00 0.00 179.24 176.48 1y9j h ARG 96 N 0.00 0.99 -0.05 3.56 2.47 -0.42 -1.05 114.38 119.88 1y9j h ARG 96 Ca -0.01 -0.33 -0.00 0.00 -1.26 0.00 0.00 59.98 58.39 1y9j h ARG 96 Cb 0.97 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1y9j h ARG 96 CO 0.07 1.00 0.03 -0.07 0.56 0.00 0.00 179.97 181.56 1y9j h LEU 97 N 0.89 0.05 -1.80 3.04 -0.00 -1.18 0.15 115.31 116.47 1y9j h LEU 97 Ca 0.15 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 1y9j h LEU 97 Cb 0.60 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1y9j h LEU 97 CO 0.04 0.08 -0.11 0.00 -0.00 0.00 0.00 178.44 178.45 1y9j h GLN 99 N 0.00 0.15 0.00 0.00 7.50 -0.33 -2.90 115.11 119.53 1y9j h GLN 99 Ca -0.00 -0.18 -0.18 0.00 0.50 0.00 0.00 58.65 58.79 1y9j h GLN 99 Cb 0.41 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.97 1y9j h GLN 99 CO 0.01 0.95 -0.85 0.38 -1.50 0.00 0.00 178.83 177.82 1y9j h ASP 100 N -0.56 0.00 -0.46 1.46 3.04 -0.53 -2.78 116.42 116.59 1y9j h ASP 100 Ca -0.03 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.68 1y9j h ASP 100 Cb 1.04 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.31 1y9j h ASP 100 CO 0.05 0.85 0.02 -0.07 -2.04 0.00 0.00 179.24 178.05 1y9j h LEU 101 N 0.00 0.83 0.02 0.15 3.38 0.20 -2.31 115.31 117.58 1y9j h LEU 101 Ca -0.01 -0.20 -0.25 0.00 0.09 0.00 0.00 57.88 57.51 1y9j h LEU 101 Cb 1.57 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1y9j h LEU 101 CO 0.11 0.89 -1.12 0.03 0.09 0.00 0.00 178.44 178.43 1y9j h ARG 102 N 0.81 0.24 0.00 1.13 3.08 -1.54 -3.22 114.38 114.87 1y9j h ARG 102 Ca 0.16 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1y9j h ARG 102 Cb 0.45 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1y9j h ARG 102 CO 0.02 1.14 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.96 1y9j h ASN 103 N 0.08 0.00 -5.50 7.04 2.35 -1.31 -3.47 115.58 114.78 1y9j h ASN 103 Ca -0.10 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.26 1y9j h ASN 103 Cb 1.84 0.00 0.12 0.00 0.05 0.00 0.00 38.32 40.33 1y9j h ASN 103 CO 0.18 0.18 -0.65 0.00 -1.65 0.00 0.00 177.43 175.49 1y9j n GLN 104 N -3.86 -7.32 -0.10 0.81 6.02 -0.89 -4.90 117.38 107.15 1y9j n GLN 104 Ca -0.02 0.82 -0.07 0.00 -0.01 0.00 0.00 57.00 57.72 1y9j n GLN 104 Cb 0.28 -5.77 0.01 0.00 1.02 0.00 0.00 30.24 25.77 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 -2.45 0.17 -9.35 1.08 3.38 -1.89 -3.40 115.31 102.86 1y9j h LEU 105 Ca -0.55 0.03 -0.54 0.00 0.09 0.00 0.00 57.88 56.91 1y9j h LEU 105 Cb 1.36 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.98 1y9j h LEU 105 CO 0.54 0.13 -0.64 -0.31 0.09 0.00 0.00 178.44 178.26 1y9j s TYR 106 N -6.16 2.18 -0.05 1.13 1.51 -1.26 0.21 117.35 114.91 1y9j s TYR 106 Ca -0.13 -0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 54.94 1y9j s TYR 106 Cb 0.11 -1.38 -0.22 0.00 -0.11 0.00 0.00 41.96 40.36 1y9j s TYR 106 CO 0.71 0.30 1.09 1.49 -1.11 0.00 0.00 175.55 178.03 1y9j h GLU 107 N 2.06 0.09 -6.28 -0.62 4.57 -1.36 -3.43 114.58 109.61 1y9j h GLU 107 Ca -0.42 -0.08 -0.50 0.00 -1.18 0.00 0.00 59.36 57.18 1y9j h GLU 107 Cb 1.24 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1y9j h GLU 107 CO 0.72 0.76 -0.26 -1.54 -1.18 0.00 0.00 179.01 177.50 1y9j s SER 108 N -6.05 5.04 -0.44 1.04 1.04 -1.26 -3.85 113.70 109.22 1y9j s SER 108 Ca -0.16 -0.86 0.07 0.00 0.48 0.00 0.00 55.95 55.48 1y9j s SER 108 Cb 0.01 -0.09 0.28 0.00 0.10 0.00 0.00 66.02 66.32 1y9j s SER 108 CO 0.71 -0.97 0.85 -1.22 0.98 0.00 0.00 173.24 173.58 1y9j n TYR 109 N -1.84 -2.09 -1.56 5.02 4.01 -0.40 -2.62 117.16 117.68 1y9j n TYR 109 Ca 0.06 -2.53 -0.13 0.00 -0.16 0.00 0.00 57.90 55.14 1y9j n TYR 109 Cb 0.62 0.89 -0.09 0.00 -0.31 0.00 0.00 39.34 40.46 1y9j n TYR 109 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1y9j n TYR 110 N 1.07 1.08 -2.44 -0.72 4.19 0.76 -3.02 117.16 118.08 1y9j n TYR 110 Ca 0.13 -0.06 -0.34 0.00 3.31 0.00 0.00 57.90 60.94 1y9j n TYR 110 Cb 0.63 -2.60 -0.02 0.00 0.49 0.00 0.00 39.34 37.84 1y9j n TYR 110 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1y9j s LEU 111 N 15.49 3.82 -0.24 2.98 1.43 0.20 0.13 118.68 142.48 1y9j s LEU 111 Ca 0.90 2.02 -0.07 0.00 -1.03 0.00 0.00 54.13 55.94 1y9j s LEU 111 Cb -0.11 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.66 1y9j s LEU 111 CO 0.12 -0.93 0.51 0.21 0.23 0.00 0.00 176.35 176.49 1y9j s ASN 112 N -1.90 -0.62 -0.18 2.29 3.04 -0.20 0.12 114.94 117.48 1y9j s ASN 112 Ca 0.69 1.16 -0.08 0.00 0.04 0.00 0.00 52.86 54.67 1y9j s ASN 112 Cb -0.19 1.74 -0.04 0.00 -1.54 0.00 0.00 41.25 41.22 1y9j s ASN 112 CO 0.22 -0.23 0.10 -0.36 -3.04 0.00 0.00 177.10 173.79 1y9j s PHE 113 N 2.73 3.35 -0.22 0.43 0.08 -1.24 0.71 117.98 123.83 1y9j s PHE 113 Ca -0.01 0.24 0.20 0.00 0.12 0.00 0.00 56.93 57.47 1y9j s PHE 113 Cb -0.12 -2.10 0.32 0.00 -0.57 0.00 0.00 43.02 40.55 1y9j s PHE 113 CO -0.16 0.28 1.57 -0.84 -0.10 0.00 0.00 175.22 175.98 1y9j h ILE 114 N 4.68 0.46 -1.14 0.64 -2.65 -1.86 -3.35 117.51 114.29 1y9j h ILE 114 Ca -0.41 -1.56 -0.55 0.00 1.03 0.00 0.00 64.86 63.37 1y9j h ILE 114 Cb 1.17 2.15 -0.05 0.00 -2.05 0.00 0.00 36.82 38.03 1y9j h ILE 114 CO 0.72 0.25 -0.38 -0.44 0.03 0.00 0.00 178.15 178.33 1y9j s SER 115 N -6.30 4.70 -1.03 2.16 0.01 -1.26 -2.16 113.70 109.82 1y9j s SER 115 Ca 0.05 -1.05 -0.20 0.00 1.31 0.00 0.00 55.95 56.06 1y9j s SER 115 Cb 0.07 -0.13 0.10 0.00 0.21 0.00 0.00 66.02 66.27 1y9j s SER 115 CO 0.70 -0.81 1.33 0.00 0.41 0.00 0.00 173.24 174.87 1y9j s ALA 116 N -2.63 3.21 0.85 1.44 0.00 -1.26 -4.77 121.76 118.59 1y9j s ALA 116 Ca 0.40 -2.68 -0.11 0.00 0.00 0.00 0.00 51.96 49.58 1y9j s ALA 116 Cb -0.01 -4.28 0.10 0.00 0.00 0.00 0.00 23.12 18.93 1y9j s ALA 116 CO 0.23 -3.21 1.11 -1.50 0.00 0.00 0.00 175.76 172.39 1y9j s ILE 117 N 3.50 2.79 0.20 0.00 2.07 -1.26 -5.04 121.20 123.45 1y9j s ILE 117 Ca 0.40 0.26 0.05 0.00 -1.41 0.00 0.00 60.65 59.95 1y9j s ILE 117 Cb -0.02 -2.57 -0.04 0.00 0.13 0.00 0.00 42.46 39.96 1y9j s ILE 117 CO -0.07 -0.33 0.22 -0.55 -1.91 0.00 0.00 174.94 172.29 1y9j s SER 118 N -3.12 5.80 0.32 4.50 0.15 -1.26 -4.93 113.70 115.15 1y9j s SER 118 Ca 0.63 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 57.28 1y9j s SER 118 Cb -0.19 -1.58 0.78 0.00 -1.71 0.00 0.00 66.02 63.31 1y9j s SER 118 CO 0.57 0.01 1.78 0.03 1.20 0.00 0.00 173.24 176.84 1y9j h ARG 119 N 1.89 0.71 -0.20 5.44 3.08 -1.98 0.71 114.38 124.03 1y9j h ARG 119 Ca -0.49 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1y9j h ARG 119 Cb 1.22 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1y9j h ARG 119 CO 0.63 0.47 0.07 0.77 -1.07 0.00 0.00 179.97 180.84 1y9j h SER 120 N 0.73 0.29 -0.44 7.04 0.02 -1.99 0.46 113.55 119.66 1y9j h SER 120 Ca 0.57 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 61.21 1y9j h SER 120 Cb 0.93 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1y9j h SER 120 CO -0.36 0.40 -0.20 0.11 -1.14 0.00 0.00 176.83 175.64 1y9j h LYS 121 N 0.16 0.94 -0.32 3.45 1.57 -1.44 -2.93 116.57 118.01 1y9j h LYS 121 Ca 0.07 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1y9j h LYS 121 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1y9j h LYS 121 CO -0.00 1.05 0.15 -0.07 -0.57 0.00 0.00 179.45 180.00 1y9j h LEU 122 N 0.82 0.42 -1.41 2.94 4.07 0.51 -2.39 115.31 120.27 1y9j h LEU 122 Ca 0.11 -0.13 0.13 0.00 0.08 0.00 0.00 57.88 58.07 1y9j h LEU 122 Cb 0.76 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.33 1y9j h LEU 122 CO 0.06 0.43 0.53 -0.33 -1.08 0.00 0.00 178.44 178.06 1y9j h GLU 123 N 0.38 0.59 -0.31 1.13 5.08 -0.83 0.13 114.58 120.73 1y9j h GLU 123 Ca 0.11 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1y9j h GLU 123 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1y9j h GLU 123 CO -0.01 0.39 0.18 -0.44 -1.00 0.00 0.00 179.01 178.12 1y9j h ASP 124 N 0.60 0.28 -0.14 1.42 3.32 -1.24 0.18 116.42 120.84 1y9j h ASP 124 Ca 0.40 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.29 1y9j h ASP 124 Cb 0.68 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1y9j h ASP 124 CO -0.16 0.20 -0.50 0.40 -1.72 0.00 0.00 179.24 177.47 1y9j h ILE 125 N 0.36 1.30 -0.43 0.35 5.03 -1.04 1.02 117.51 124.10 1y9j h ILE 125 Ca 0.12 -1.70 0.02 0.00 -0.12 0.00 0.00 64.86 63.18 1y9j h ILE 125 Cb 0.01 1.63 -0.03 0.00 -3.03 0.00 0.00 36.82 35.40 1y9j h ILE 125 CO -0.07 0.54 0.26 0.00 -0.68 0.00 0.00 178.15 178.21 1y9j h ALA 126 N 0.88 0.54 0.00 1.87 0.00 -0.39 -1.86 119.26 120.30 1y9j h ALA 126 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1y9j h ALA 126 Cb 1.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1y9j h ALA 126 CO 0.10 -0.06 -0.78 -0.91 0.00 0.00 0.00 179.25 177.60 1y9j h ASN 127 N 0.52 0.00 -0.95 0.00 2.35 -0.56 -3.02 115.58 113.92 1y9j h ASN 127 Ca 0.17 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.18 1y9j h ASN 127 Cb -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1y9j h ASN 127 CO -0.07 0.78 0.66 0.00 -1.65 0.00 0.00 177.43 177.15 1y9j h ALA 128 N 1.22 2.68 0.15 -0.83 0.00 0.19 0.28 119.26 122.95 1y9j h ALA 128 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1y9j h ALA 128 Cb 1.52 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1y9j h ALA 128 CO 0.10 -0.97 -1.73 0.00 0.00 0.00 0.00 179.25 176.65 1y9j h ALA 129 N 1.55 0.24 -0.76 0.00 0.00 -1.42 -3.35 119.26 115.53 1y9j h ALA 129 Ca 0.47 -1.20 0.22 0.00 0.00 0.00 0.00 54.91 54.40 1y9j h ALA 129 Cb 1.65 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.95 1y9j h ALA 129 CO -0.08 1.05 0.71 -0.07 0.00 0.00 0.00 179.25 180.86 1y9j h LEU 130 N -0.04 0.00 -1.51 0.00 3.38 -0.83 1.55 115.31 117.86 1y9j h LEU 130 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1y9j h LEU 130 Cb 1.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1y9j h LEU 130 CO 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.63 1y9j h ALA 131 N 1.30 1.61 0.00 1.53 0.00 -1.55 -3.12 119.26 119.03 1y9j h ALA 131 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1y9j h ALA 131 Cb 1.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1y9j h ALA 131 CO -0.00 0.29 -0.15 0.00 0.00 0.00 0.00 179.25 179.39 1y9j n ALA 132 N -2.49 2.31 -2.97 0.00 0.00 0.20 -5.03 120.51 112.53 1y9j n ALA 132 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1y9j n ALA 132 Cb 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.60 1y9j n ALA 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y9j n ASN 133 N -1.07 -3.28 -4.76 0.00 2.85 0.47 -5.01 115.26 104.47 1y9j n ASN 133 Ca 0.00 -0.33 -0.38 0.00 -0.11 0.00 0.00 54.58 53.76 1y9j n ASN 133 Cb 0.04 -3.10 -0.06 0.00 1.24 0.00 0.00 39.78 37.90 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y9j s ALA 134 N -3.19 3.50 -0.36 5.20 0.00 -1.14 -4.99 121.76 120.77 1y9j s ALA 134 Ca 0.17 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 1y9j s ALA 134 Cb -0.07 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1y9j s ALA 134 CO 0.41 0.14 1.92 0.08 0.00 0.00 0.00 175.76 178.31 1y9j s VAL 135 N 0.02 3.35 0.19 0.00 1.01 -1.25 -4.81 120.40 118.91 1y9j s VAL 135 Ca 0.29 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1y9j s VAL 135 Cb -0.17 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1y9j s VAL 135 CO 0.14 -0.38 -0.07 0.42 0.00 0.00 0.00 175.10 175.21 1y9j s THR 136 N 7.84 1.19 -0.24 3.92 -4.23 -1.26 -1.27 115.64 121.59 1y9j s THR 136 Ca 0.83 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 59.20 1y9j s THR 136 Cb -0.22 -2.07 0.11 0.00 1.34 0.00 0.00 72.50 71.66 1y9j s THR 136 CO 0.31 -0.56 0.49 0.00 -0.54 0.00 0.00 174.62 174.33 1y9j s GLN 137 N -3.78 0.41 -0.53 3.99 0.00 -1.17 -4.96 119.66 113.63 1y9j s GLN 137 Ca 0.22 1.10 -0.27 0.00 -0.00 0.00 0.00 55.36 56.41 1y9j s GLN 137 Cb 0.03 0.42 0.03 0.00 0.00 0.00 0.00 33.01 33.50 1y9j s GLN 137 CO 0.05 -0.30 1.08 0.08 0.00 0.00 0.00 175.29 176.20 1y9j s VAL 138 N 2.71 4.21 1.18 3.63 1.01 -1.26 -0.63 120.40 131.25 1y9j s VAL 138 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 1y9j s VAL 138 Cb -0.13 -4.61 0.28 0.00 0.00 0.00 0.00 36.38 31.92 1y9j s VAL 138 CO -0.15 -1.13 1.14 0.00 0.00 0.00 0.00 175.10 174.96 1y9j s ALA 139 N 4.43 0.81 0.58 5.51 0.00 0.12 -4.97 121.76 128.24 1y9j s ALA 139 Ca 0.41 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1y9j s ALA 139 Cb -0.09 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1y9j s ALA 139 CO 0.26 -3.48 0.96 0.15 0.00 0.00 0.00 175.76 173.66 1y9j s LYS 140 N -5.50 3.61 0.15 0.00 1.02 -1.26 -4.49 119.74 113.28 1y9j s LYS 140 Ca 0.72 0.62 -0.03 0.00 0.02 0.00 0.00 55.97 57.30 1y9j s LYS 140 Cb -0.08 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1y9j s LYS 140 CO 0.56 -0.45 0.36 0.08 -0.92 0.00 0.00 175.35 174.97 1y9j s VAL 141 N -3.02 5.21 0.00 3.17 1.01 -1.26 -4.53 120.40 120.98 1y9j s VAL 141 Ca 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1y9j s VAL 141 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1y9j s VAL 141 CO 0.50 -0.03 0.00 2.22 0.00 0.00 0.00 175.10 177.79 1y9j n PHE 142 N -0.16 0.00 0.95 5.22 -1.74 -1.26 -4.70 117.46 115.77 1y9j n PHE 142 Ca -0.03 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 56.94 1y9j n PHE 142 Cb 0.52 0.00 0.48 0.00 1.52 0.00 0.00 39.48 42.00 1y9j n PHE 142 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1y9j n ASP 143 N -2.43 0.00 0.33 5.98 9.92 -1.02 -3.29 116.55 126.05 1y9j n ASP 143 Ca 0.00 -0.25 0.21 0.00 -0.53 0.00 0.00 54.79 54.22 1y9j n ASP 143 Cb 0.46 -0.14 1.14 0.00 -0.64 0.00 0.00 41.12 41.94 1y9j n ASP 143 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1y9j h GLN 144 N 0.00 0.00 0.00 -1.24 3.07 -1.71 -2.38 115.11 112.85 1y9j h GLN 144 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1y9j h GLN 144 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1y9j h GLN 144 CO 0.00 0.00 -1.03 2.48 0.09 0.00 0.00 178.83 180.37 1y9j n TYR 145 N -3.17 0.00 -3.94 0.06 4.11 -1.21 -4.92 117.16 108.10 1y9j n TYR 145 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.82 1y9j n TYR 145 Cb 0.10 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.34 39.29 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 -1.59 0.00 0.00 -3.48 -0.00 -0.90 -5.22 117.00 105.82 1y9j n LEU 146 Ca -0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 56.01 55.14 1y9j n LEU 146 Cb 0.23 0.57 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 1y9j n LEU 146 CO 0.22 -0.16 0.00 -3.20 -0.00 0.00 0.00 177.39 174.24