#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 0.49 0.73 0.00 0.02 -2.06 -0.52 113.55 112.21 1y9j h SER 9 Ca 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1y9j h SER 9 Cb 0.00 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1y9j h SER 9 CO 0.00 0.43 -0.43 0.40 -1.14 0.00 0.00 176.83 176.09 1y9j h ILE 10 N 0.51 0.00 -0.95 3.27 5.03 -2.00 -0.59 117.51 122.78 1y9j h ILE 10 Ca 0.14 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 65.10 1y9j h ILE 10 Cb 0.05 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 33.76 1y9j h ILE 10 CO -0.02 0.00 0.62 -0.09 -0.68 0.00 0.00 178.15 177.98 1y9j h ARG 11 N -1.07 0.38 -0.08 2.37 9.65 -1.98 0.11 114.38 123.76 1y9j h ARG 11 Ca -0.10 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1y9j h ARG 11 Cb 0.85 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1y9j h ARG 11 CO 0.11 0.25 0.04 0.93 2.80 0.00 0.00 179.97 184.11 1y9j h GLU 12 N 0.40 0.11 -1.00 0.20 5.08 -0.58 -2.46 114.58 116.34 1y9j h GLU 12 Ca 0.50 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 59.05 1y9j h GLU 12 Cb 1.28 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.41 1y9j h GLU 12 CO -0.20 0.18 0.61 0.00 -1.00 0.00 0.00 179.01 178.60 1y9j h ARG 13 N 0.01 0.66 -0.24 2.33 3.08 0.81 -0.16 114.38 120.87 1y9j h ARG 13 Ca 0.03 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1y9j h ARG 13 Cb 0.10 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1y9j h ARG 13 CO -0.00 0.44 -0.09 1.96 -1.07 0.00 0.00 179.97 181.20 1y9j h GLN 14 N 0.68 -0.05 0.00 0.04 4.20 -1.03 -0.42 115.11 118.54 1y9j h GLN 14 Ca 0.57 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.25 1y9j h GLN 14 Cb 1.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1y9j h GLN 14 CO -0.36 -0.03 -0.17 1.79 -0.67 0.00 0.00 178.83 179.38 1y9j h THR 15 N -0.05 0.70 0.04 -0.54 1.35 -0.97 -2.82 112.91 110.61 1y9j h THR 15 Ca 0.13 -0.73 0.01 0.00 -0.55 0.00 0.00 66.41 65.27 1y9j h THR 15 Cb 0.24 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 1y9j h THR 15 CO -0.28 0.17 -0.09 0.58 -0.25 0.00 0.00 175.52 175.65 1y9j h VAL 16 N 0.00 0.77 -0.11 6.82 2.07 -0.19 1.14 116.25 126.76 1y9j h VAL 16 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1y9j h VAL 16 Cb 0.44 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1y9j h VAL 16 CO 0.02 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.30 1y9j h ALA 17 N 0.77 1.26 0.08 1.67 0.00 -1.37 -2.38 119.26 119.29 1y9j h ALA 17 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1y9j h ALA 17 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y9j h ALA 17 CO -0.07 0.51 -0.04 -0.07 0.00 0.00 0.00 179.25 179.58 1y9j h LEU 18 N 0.19 -0.09 -0.96 0.00 3.38 -1.16 -3.05 115.31 113.62 1y9j h LEU 18 Ca 0.03 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.29 1y9j h LEU 18 Cb 0.66 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 1y9j h LEU 18 CO 0.05 0.07 0.45 0.11 0.09 0.00 0.00 178.44 179.21 1y9j h LYS 19 N -0.37 0.29 0.04 1.13 1.57 0.12 1.12 116.57 120.47 1y9j h LYS 19 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1y9j h LYS 19 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1y9j h LYS 19 CO 0.02 0.19 -0.05 0.00 -0.57 0.00 0.00 179.45 179.04 1y9j h ARG 20 N 0.29 -0.11 0.00 3.15 3.08 -1.55 0.96 114.38 120.21 1y9j h ARG 20 Ca 0.67 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.73 1y9j h ARG 20 Cb 1.47 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1y9j h ARG 20 CO -0.62 -0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.21 1y9j h MET 21 N -0.11 0.00 0.00 0.04 -0.00 -0.69 1.02 114.93 115.19 1y9j h MET 21 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1y9j h MET 21 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1y9j h MET 21 CO -0.02 0.00 -0.77 1.28 -0.00 0.00 0.00 176.91 177.40 1y9j n LEU 22 N -3.03 0.63 0.00 -0.10 4.77 0.36 -4.58 117.00 115.04 1y9j n LEU 22 Ca 0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1y9j n LEU 22 Cb 0.47 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1y9j n LEU 22 CO 0.32 0.08 -0.28 0.59 -1.33 0.00 0.00 177.39 176.77 1y9j n ASN 23 N -1.78 2.03 -4.52 -1.43 3.02 0.33 -4.91 115.26 107.99 1y9j n ASN 23 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 1y9j n ASN 23 Cb 0.39 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.59 2.51 0.19 3.10 5.36 0.35 -5.00 117.98 122.89 1y9j s PHE 24 Ca 0.00 -0.15 -0.30 0.00 -0.96 0.00 0.00 56.93 55.52 1y9j s PHE 24 Cb 0.00 -4.44 -0.08 0.00 -0.34 0.00 0.00 43.02 38.16 1y9j s PHE 24 CO 0.00 -1.80 1.10 0.54 -1.46 0.00 0.00 175.22 173.61 1y9j s ASN 25 N 3.52 7.26 0.51 6.13 4.22 -1.26 -4.52 114.94 130.80 1y9j s ASN 25 Ca 0.31 2.11 -0.20 0.00 -2.14 0.00 0.00 52.86 52.94 1y9j s ASN 25 Cb -0.11 -2.61 -0.07 0.00 1.28 0.00 0.00 41.25 39.74 1y9j s ASN 25 CO 0.15 -0.22 1.09 0.68 -2.04 0.00 0.00 177.10 176.77 1y9j s VAL 26 N -0.30 3.41 -0.85 3.54 -7.23 -1.26 -4.85 120.40 112.87 1y9j s VAL 26 Ca 0.49 0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 61.27 1y9j s VAL 26 Cb -0.30 -3.37 -0.18 0.00 0.56 0.00 0.00 36.38 33.09 1y9j s VAL 26 CO 0.35 -0.17 2.59 -2.65 -0.31 0.00 0.00 175.10 174.91 1y9j n PRO 27 N -1.09 0.32 -4.42 4.82 -0.02 -1.26 -4.90 135.00 128.45 1y9j n PRO 27 Ca 0.10 -0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.33 1y9j n PRO 27 Cb 0.51 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 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 9.75 2.42 -0.70 6.00 2.46 -1.26 -5.07 115.29 128.89 1y9j s HIS 28 Ca 1.24 -0.32 -0.27 0.00 0.47 0.00 0.00 55.06 56.18 1y9j s HIS 28 Cb -0.90 -1.11 0.01 0.00 -0.13 0.00 0.00 32.58 30.45 1y9j s HIS 28 CO 0.42 0.67 1.52 0.08 -2.47 0.00 0.00 174.74 174.96 1y9j s VAL 29 N -2.47 3.58 -0.24 0.89 1.01 -1.26 -4.97 120.40 116.94 1y9j s VAL 29 Ca 0.31 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1y9j s VAL 29 Cb -0.04 -4.52 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1y9j s VAL 29 CO 0.17 -1.48 -0.00 -0.54 0.00 0.00 0.00 175.10 173.25 1y9j s LYS 30 N 6.25 3.35 -0.09 2.72 -0.14 -1.26 -4.98 119.74 125.59 1y9j s LYS 30 Ca 0.48 -0.66 -0.14 0.00 -1.36 0.00 0.00 55.97 54.29 1y9j s LYS 30 Cb -0.10 -3.13 -0.28 0.00 -1.68 0.00 0.00 37.83 32.64 1y9j s LYS 30 CO 0.16 -0.25 0.59 -0.97 -0.76 0.00 0.00 175.35 174.13 1y9j h ASN 31 N 8.15 0.46 -3.26 2.83 -0.73 -2.02 -3.42 115.58 117.58 1y9j h ASN 31 Ca -0.39 -0.88 -0.76 0.00 1.87 0.00 0.00 56.30 56.13 1y9j h ASN 31 Cb 1.15 -0.15 -0.25 0.00 0.27 0.00 0.00 38.32 39.35 1y9j h ASN 31 CO 0.60 1.67 -0.16 -0.55 -0.37 0.00 0.00 177.43 178.62 1y9j s SER 32 N -7.11 6.29 0.61 1.15 0.15 -1.26 -5.07 113.70 108.47 1y9j s SER 32 Ca -0.19 -1.99 -0.17 0.00 0.70 0.00 0.00 55.95 54.30 1y9j s SER 32 Cb 0.05 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1y9j s SER 32 CO 0.79 -0.79 1.11 -2.16 1.20 0.00 0.00 173.24 173.39 1y9j s PRO 33 N 1.28 3.06 0.00 5.44 0.04 -1.26 -3.58 135.00 139.97 1y9j s PRO 33 Ca 0.06 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1y9j s PRO 33 Cb -0.26 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1y9j s PRO 33 CO 0.00 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1y9j n GLY 34 N -0.31 3.14 3.82 0.56 0.00 -1.26 -5.04 105.19 106.10 1y9j n GLY 34 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1y9j n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y9j s GLU 35 N -0.39 4.28 0.44 1.61 2.12 -1.23 -5.03 118.70 120.49 1y9j s GLU 35 Ca 0.00 1.01 -0.25 0.00 0.36 0.00 0.00 54.97 56.09 1y9j s GLU 35 Cb 0.00 -2.58 -0.08 0.00 0.26 0.00 0.00 34.13 31.74 1y9j s GLU 35 CO 0.00 0.20 1.30 -1.25 -0.54 0.00 0.00 175.26 174.97 1y9j s PRO 36 N -2.54 3.77 -0.50 4.30 0.04 -1.26 -4.99 135.00 133.83 1y9j s PRO 36 Ca 0.52 2.13 -0.16 0.00 0.04 0.00 0.00 61.00 63.53 1y9j s PRO 36 Cb -0.14 -2.61 0.09 0.00 0.04 0.00 0.00 34.50 31.88 1y9j s PRO 36 CO 0.19 -0.64 0.46 0.08 0.04 0.00 0.00 177.00 177.12 1y9j s VAL 37 N -1.31 5.18 0.22 -0.36 1.01 -1.26 -5.04 120.40 118.84 1y9j s VAL 37 Ca 0.61 -1.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.14 1y9j s VAL 37 Cb -0.37 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 31.67 1y9j s VAL 37 CO 0.47 -0.70 1.66 0.79 0.00 0.00 0.00 175.10 177.32 1y9j n TRP 38 N 5.35 2.68 -4.67 5.22 7.02 -1.26 -4.92 117.44 126.85 1y9j n TRP 38 Ca -0.12 0.14 -0.23 0.00 -1.02 0.00 0.00 57.50 56.27 1y9j n TRP 38 Cb 0.43 -2.63 -0.15 0.00 -2.42 0.00 0.00 31.31 26.54 1y9j n TRP 38 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1y9j s LYS 39 N 0.67 1.18 0.25 -0.99 2.20 -0.83 -4.20 119.74 118.01 1y9j s LYS 39 Ca 0.73 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 1y9j s LYS 39 Cb -0.54 -1.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.61 1y9j s LYS 39 CO 0.38 0.31 0.32 0.08 -0.36 0.00 0.00 175.35 176.07 1y9j s VAL 40 N -0.33 5.02 -0.03 4.02 1.01 0.09 -2.14 120.40 128.04 1y9j s VAL 40 Ca 0.05 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1y9j s VAL 40 Cb -0.06 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1y9j s VAL 40 CO -0.01 -0.33 0.11 -0.22 0.00 0.00 0.00 175.10 174.66 1y9j s LEU 41 N -3.95 1.59 -0.18 3.92 2.96 -0.74 0.14 118.68 122.43 1y9j s LEU 41 Ca 0.34 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1y9j s LEU 41 Cb -0.09 0.44 0.05 0.00 0.50 0.00 0.00 46.19 47.09 1y9j s LEU 41 CO 0.28 -0.12 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.54 1y9j s ILE 42 N -0.32 0.92 0.23 6.68 -1.09 0.89 -2.71 121.20 125.80 1y9j s ILE 42 Ca -0.04 -0.63 0.11 0.00 -2.23 0.00 0.00 60.65 57.86 1y9j s ILE 42 Cb -0.03 -1.21 -0.05 0.00 -1.58 0.00 0.00 42.46 39.59 1y9j s ILE 42 CO 0.00 -0.01 -0.20 -0.72 -1.23 0.00 0.00 174.94 172.78 1y9j s TYR 43 N 1.70 2.34 0.00 3.97 1.13 -1.16 -0.00 117.35 125.33 1y9j s TYR 43 Ca -0.01 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.33 1y9j s TYR 43 Cb -0.16 -1.09 0.00 0.00 -1.10 0.00 0.00 41.96 39.61 1y9j s TYR 43 CO -0.07 0.60 0.00 -3.47 -2.51 0.00 0.00 175.55 170.10 1y9j n ASP 44 N -0.20 0.31 -0.34 -0.18 2.03 -1.24 -3.03 116.55 113.91 1y9j n ASP 44 Ca -0.09 -0.94 0.10 0.00 0.52 0.00 0.00 54.79 54.38 1y9j n ASP 44 Cb 0.58 0.00 0.30 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 0.82 0.03 -0.67 -0.00 -2.00 -0.65 114.38 111.92 1y9j h ARG 45 Ca 0.00 -0.05 -0.24 0.00 -0.00 0.00 0.00 59.98 59.69 1y9j h ARG 45 Cb 0.00 -0.19 0.02 0.00 -0.00 0.00 0.00 29.97 29.81 1y9j h ARG 45 CO 0.00 0.55 -0.96 0.74 -0.00 0.00 0.00 179.97 180.29 1y9j h PHE 46 N 0.85 0.90 -0.79 4.08 -1.00 -1.95 -2.81 116.94 116.22 1y9j h PHE 46 Ca 0.52 -0.52 0.16 0.00 2.81 0.00 0.00 57.97 60.95 1y9j h PHE 46 Cb 0.70 -0.09 -0.10 0.00 3.61 0.00 0.00 35.95 40.06 1y9j h PHE 46 CO -0.00 1.35 0.31 0.78 -1.61 0.00 0.00 178.31 179.14 1y9j h GLY 47 N 0.20 1.23 1.98 -1.45 0.00 -1.38 0.54 103.07 104.20 1y9j h GLY 47 Ca -0.13 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1y9j h GLY 47 CO 0.19 -0.15 -0.56 0.06 0.00 0.00 0.00 176.54 176.08 1y9j h GLN 48 N 0.42 0.02 0.00 4.80 3.07 -1.29 0.52 115.11 122.64 1y9j h GLN 48 Ca 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1y9j h GLN 48 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1y9j h GLN 48 CO -0.45 0.57 0.00 -3.47 0.09 0.00 0.00 178.83 175.57 1y9j n ASP 49 N -3.88 0.17 0.00 0.06 2.03 0.18 -2.41 116.55 112.70 1y9j n ASP 49 Ca -0.01 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1y9j n ASP 49 Cb 0.56 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.70 0.00 -0.09 5.18 5.41 -0.66 -4.62 119.36 122.88 1y9j n ILE 50 Ca 0.02 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.67 1y9j n ILE 50 Cb 0.13 -0.45 -0.03 0.00 -0.71 0.00 0.00 39.64 38.58 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 1.20 0.39 1.39 2.10 -0.02 -3.19 117.51 119.37 1y9j h ILE 51 Ca 0.00 -0.66 -0.02 0.00 1.08 0.00 0.00 64.86 65.26 1y9j h ILE 51 Cb 0.87 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 1y9j h ILE 51 CO 0.00 0.22 -0.19 0.28 -1.08 0.00 0.00 178.15 177.38 1y9j h SER 52 N 0.28 -0.44 -0.69 2.19 0.02 -1.59 0.41 113.55 113.73 1y9j h SER 52 Ca 0.09 -0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.18 1y9j h SER 52 Cb 0.26 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1y9j h SER 52 CO -0.00 -0.22 0.79 -0.65 -1.14 0.00 0.00 176.83 175.61 1y9j h PRO 53 N -0.64 0.00 0.00 3.45 0.11 -1.76 0.50 132.00 133.66 1y9j h PRO 53 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y9j h PRO 53 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1y9j h PRO 53 CO 0.09 0.00 -0.08 1.28 -0.21 0.00 0.00 178.00 179.08 1y9j n LEU 54 N -3.49 1.81 -3.53 2.35 4.77 -1.07 -5.06 117.00 112.80 1y9j n LEU 54 Ca 0.14 -2.41 -0.10 0.00 -0.03 0.00 0.00 56.01 53.61 1y9j n LEU 54 Cb 1.03 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1y9j n LEU 54 CO 0.25 0.57 0.69 -0.22 -1.33 0.00 0.00 177.39 177.35 1y9j s LEU 55 N -1.94 -0.40 0.30 2.23 0.20 0.17 -5.03 118.68 114.22 1y9j s LEU 55 Ca 0.19 0.20 0.04 0.00 0.69 0.00 0.00 54.13 55.26 1y9j s LEU 55 Cb 0.17 2.03 -0.06 0.00 -0.43 0.00 0.00 46.19 47.90 1y9j s LEU 55 CO 0.02 -0.53 0.02 -0.44 -0.29 0.00 0.00 176.35 175.13 1y9j s SER 56 N -1.91 2.37 0.09 3.68 0.01 -1.26 -3.89 113.70 112.80 1y9j s SER 56 Ca 0.01 -1.31 -0.28 0.00 1.31 0.00 0.00 55.95 55.69 1y9j s SER 56 Cb -0.01 -0.09 -0.14 0.00 0.21 0.00 0.00 66.02 66.00 1y9j s SER 56 CO -0.04 -0.53 1.67 0.58 0.41 0.00 0.00 173.24 175.33 1y9j h VAL 57 N 2.21 0.57 -0.39 3.43 2.07 -1.98 0.26 116.25 122.42 1y9j h VAL 57 Ca -0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1y9j h VAL 57 Cb 1.24 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1y9j h VAL 57 CO 0.68 0.00 0.15 0.11 0.02 0.00 0.00 177.57 178.53 1y9j h LYS 58 N -0.47 0.55 -0.06 1.57 1.79 -1.99 -1.67 116.57 116.28 1y9j h LYS 58 Ca -0.02 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.20 1y9j h LYS 58 Cb 0.41 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1y9j h LYS 58 CO -0.00 0.46 -0.73 0.93 -1.08 0.00 0.00 179.45 179.02 1y9j h GLU 59 N 0.55 0.34 -0.16 3.15 4.39 -1.87 -0.36 114.58 120.61 1y9j h GLU 59 Ca 0.13 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.58 1y9j h GLU 59 Cb 0.12 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1y9j h GLU 59 CO -0.01 0.93 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.67 1y9j h LEU 60 N 0.23 -0.13 -0.27 1.33 3.38 0.42 0.53 115.31 120.81 1y9j h LEU 60 Ca -0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1y9j h LEU 60 Cb 1.30 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1y9j h LEU 60 CO 0.12 -0.04 -0.14 0.03 0.09 0.00 0.00 178.44 178.50 1y9j h ARG 61 N 0.01 0.00 -0.00 1.13 2.47 -1.41 -2.90 114.38 113.67 1y9j h ARG 61 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1y9j h ARG 61 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1y9j h ARG 61 CO -0.16 0.14 -0.34 -3.47 0.56 0.00 0.00 179.97 176.71 1y9j n ASP 62 N -3.15 0.73 0.05 7.04 2.03 -0.15 -3.86 116.55 119.23 1y9j n ASP 62 Ca 0.03 -0.55 0.11 0.00 0.52 0.00 0.00 54.79 54.90 1y9j n ASP 62 Cb 0.55 0.14 -0.09 0.00 -0.72 0.00 0.00 41.12 41.00 1y9j n ASP 62 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1y9j n MET 63 N -1.06 0.63 0.00 -0.67 0.00 0.18 -4.95 117.12 111.25 1y9j n MET 63 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1y9j n MET 63 Cb 0.34 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 31.88 1y9j n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1y9j n GLY 64 N 1.23 1.12 3.62 3.17 0.00 -1.24 -5.03 105.19 108.06 1y9j n GLY 64 Ca -0.02 0.00 -0.35 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 -1.41 4.85 -0.35 -0.61 2.07 -1.10 -1.96 121.20 122.69 1y9j s ILE 65 Ca 0.00 -0.01 0.23 0.00 -1.41 0.00 0.00 60.65 59.46 1y9j s ILE 65 Cb 0.00 -3.20 0.12 0.00 0.13 0.00 0.00 42.46 39.51 1y9j s ILE 65 CO 0.00 0.43 1.27 0.00 -1.91 0.00 0.00 174.94 174.74 1y9j h THR 66 N 4.95 0.00 -1.25 4.00 1.03 -1.76 -3.42 112.91 116.46 1y9j h THR 66 Ca -0.37 -0.94 0.16 0.00 -0.01 0.00 0.00 66.41 65.24 1y9j h THR 66 Cb 1.17 1.63 -0.31 0.00 -1.07 0.00 0.00 68.15 69.57 1y9j h THR 66 CO 0.69 0.00 0.70 -0.22 -0.01 0.00 0.00 175.52 176.68 1y9j s LEU 67 N -5.52 -0.20 -0.12 0.00 1.98 -1.26 -5.03 118.68 108.53 1y9j s LEU 67 Ca 0.03 0.36 -0.04 0.00 -2.89 0.00 0.00 54.13 51.59 1y9j s LEU 67 Cb 0.08 1.35 0.06 0.00 0.66 0.00 0.00 46.19 48.35 1y9j s LEU 67 CO 0.74 -0.06 0.16 -1.38 -1.89 0.00 0.00 176.35 173.92 1y9j s HIS 68 N 0.42 -0.15 0.21 5.38 -3.43 -1.26 -1.78 115.29 114.67 1y9j s HIS 68 Ca 0.02 0.41 -0.02 0.00 -0.80 0.00 0.00 55.06 54.66 1y9j s HIS 68 Cb -0.04 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.73 1y9j s HIS 68 CO -0.12 -0.37 0.17 -0.48 -2.00 0.00 0.00 174.74 171.93 1y9j s LEU 69 N 2.28 1.08 -0.07 5.38 -0.00 -1.10 -5.01 118.68 121.24 1y9j s LEU 69 Ca 0.04 -1.35 -0.20 0.00 -0.00 0.00 0.00 54.13 52.62 1y9j s LEU 69 Cb -0.13 0.52 -0.04 0.00 -0.00 0.00 0.00 46.19 46.53 1y9j s LEU 69 CO -0.07 -0.88 0.55 -0.76 -0.00 0.00 0.00 176.35 175.19 1y9j s LEU 70 N -3.15 4.33 0.62 1.48 1.43 -1.26 -2.99 118.68 119.14 1y9j s LEU 70 Ca 0.37 0.99 0.27 0.00 -1.03 0.00 0.00 54.13 54.73 1y9j s LEU 70 Cb 0.06 -2.83 1.33 0.00 0.03 0.00 0.00 46.19 44.78 1y9j s LEU 70 CO 0.12 0.03 1.75 -0.07 0.23 0.00 0.00 176.35 178.41 1y9j h LEU 71 N 6.31 0.00 -3.49 1.79 4.07 -1.90 0.92 115.31 123.01 1y9j h LEU 71 Ca -0.43 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.13 1y9j h LEU 71 Cb 1.19 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.72 1y9j h LEU 71 CO 0.73 0.00 0.51 1.41 -1.08 0.00 0.00 178.44 180.01 1y9j n HIS 72 N -3.32 2.16 -4.09 1.13 8.25 -1.26 -4.90 115.22 113.19 1y9j n HIS 72 Ca 0.07 -1.79 -0.13 0.00 -0.26 0.00 0.00 57.72 55.61 1y9j n HIS 72 Cb 0.73 -0.89 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 1y9j n HIS 72 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1y9j n SER 73 N -0.46 -0.71 -4.65 0.41 7.64 0.32 -5.12 113.62 111.05 1y9j n SER 73 Ca 0.42 -2.49 -0.43 0.00 1.01 0.00 0.00 58.87 57.38 1y9j n SER 73 Cb 1.05 1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 65.70 1y9j n SER 73 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1y9j s ASP 74 N -2.63 7.03 0.05 6.43 1.11 -1.26 -4.91 116.67 122.48 1y9j s ASP 74 Ca 0.26 1.25 -0.11 0.00 0.18 0.00 0.00 52.55 54.12 1y9j s ASP 74 Cb 0.01 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 1y9j s ASP 74 CO 0.18 -0.73 0.39 -0.13 1.18 0.00 0.00 175.17 176.06 1y9j s ARG 75 N 3.33 3.78 0.04 8.23 0.52 -1.26 -4.94 118.95 128.65 1y9j s ARG 75 Ca 0.44 0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 55.83 1y9j s ARG 75 Cb -0.14 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 1y9j s ARG 75 CO 0.09 0.61 0.26 -0.51 0.02 0.00 0.00 175.30 175.76 1y9j s ASP 76 N -1.55 6.44 -0.46 0.23 1.01 -1.26 -5.06 116.67 116.01 1y9j s ASP 76 Ca 0.30 0.45 -0.26 0.00 0.71 0.00 0.00 52.55 53.75 1y9j s ASP 76 Cb -0.15 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.77 1y9j s ASP 76 CO 0.16 0.20 0.95 -2.16 0.21 0.00 0.00 175.17 174.53 1y9j s PRO 77 N -2.13 3.55 -0.51 8.23 0.04 -1.26 -4.81 135.00 138.10 1y9j s PRO 77 Ca 0.32 0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.62 1y9j s PRO 77 Cb -0.13 -3.93 0.21 0.00 0.04 0.00 0.00 34.50 30.70 1y9j s PRO 77 CO 0.21 -1.25 0.51 -0.89 0.04 0.00 0.00 177.00 175.62 1y9j n ILE 78 N 6.48 0.24 0.28 0.56 -0.00 0.48 -4.93 119.36 122.47 1y9j n ILE 78 Ca 0.07 -4.25 0.17 0.00 -0.00 0.00 0.00 62.75 58.74 1y9j n ILE 78 Cb 0.49 -1.94 0.74 0.00 -0.00 0.00 0.00 39.64 38.93 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 4.81 0.00 -0.81 0.38 0.11 -1.75 -2.78 114.38 114.34 1y9j h ARG 79 Ca 0.17 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.15 1y9j h ARG 79 Cb 0.82 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.84 1y9j h ARG 79 CO 0.56 0.03 0.13 -3.47 0.10 0.00 0.00 179.97 177.33 1y9j n ASP 80 N -3.16 3.95 -3.70 0.08 2.03 -1.26 -3.50 116.55 111.00 1y9j n ASP 80 Ca -0.00 -2.75 -0.11 0.00 0.52 0.00 0.00 54.79 52.45 1y9j n ASP 80 Cb 0.28 -0.66 -0.11 0.00 -0.72 0.00 0.00 41.12 39.91 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 -2.17 -0.10 0.48 5.18 1.01 -1.05 -5.01 120.40 118.74 1y9j s VAL 81 Ca 0.37 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 1y9j s VAL 81 Cb 0.29 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 1y9j s VAL 81 CO 0.10 0.05 1.37 -2.16 0.00 0.00 0.00 175.10 174.46 1y9j s PRO 82 N 1.52 3.54 0.24 2.72 0.04 -1.26 -2.65 135.00 139.15 1y9j s PRO 82 Ca -0.08 2.29 0.09 0.00 0.04 0.00 0.00 61.00 63.34 1y9j s PRO 82 Cb -0.09 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1y9j s PRO 82 CO -0.12 -0.89 -0.16 0.00 0.04 0.00 0.00 177.00 175.87 1y9j s ALA 83 N -1.26 2.33 -0.00 8.56 0.00 -1.03 -0.73 121.76 129.63 1y9j s ALA 83 Ca 0.64 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.90 1y9j s ALA 83 Cb -0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1y9j s ALA 83 CO 0.51 0.15 -0.18 0.08 0.00 0.00 0.00 175.76 176.32 1y9j s VAL 84 N -2.78 1.42 -0.56 0.00 1.01 0.36 0.10 120.40 119.95 1y9j s VAL 84 Ca 0.26 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.47 1y9j s VAL 84 Cb -0.02 -1.20 0.24 0.00 0.00 0.00 0.00 36.38 35.40 1y9j s VAL 84 CO 0.10 0.35 0.64 -1.22 0.00 0.00 0.00 175.10 174.97 1y9j n TYR 85 N 2.48 2.20 -2.47 5.22 4.02 0.40 0.30 117.16 129.32 1y9j n TYR 85 Ca -0.15 -3.95 -0.39 0.00 -0.01 0.00 0.00 57.90 53.39 1y9j n TYR 85 Cb 0.54 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.88 2.54 0.35 -0.72 5.36 0.99 -1.40 117.98 123.23 1y9j s PHE 86 Ca 0.37 -1.00 0.04 0.00 -0.96 0.00 0.00 56.93 55.38 1y9j s PHE 86 Cb 0.13 -4.59 -0.03 0.00 -0.34 0.00 0.00 43.02 38.19 1y9j s PHE 86 CO -0.06 -1.75 0.15 0.14 -1.46 0.00 0.00 175.22 172.24 1y9j s VAL 87 N 5.75 0.47 0.03 3.12 -7.23 0.18 -3.64 120.40 119.08 1y9j s VAL 87 Ca 0.55 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.48 1y9j s VAL 87 Cb 0.02 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1y9j s VAL 87 CO 0.04 0.00 0.72 -0.32 -0.31 0.00 0.00 175.10 175.23 1y9j s MET 88 N -3.74 4.45 0.00 4.82 1.75 -1.26 -2.70 119.30 122.61 1y9j s MET 88 Ca 0.31 0.97 -0.02 0.00 -1.25 0.00 0.00 55.69 55.70 1y9j s MET 88 Cb 0.04 -3.36 -0.11 0.00 2.84 0.00 0.00 34.83 34.24 1y9j s MET 88 CO 0.17 0.30 2.06 -0.35 -0.65 0.00 0.00 175.02 176.55 1y9j n PRO 89 N 2.79 1.05 -2.42 4.11 -0.04 -1.26 -4.49 135.00 134.73 1y9j n PRO 89 Ca -0.04 -0.41 -0.31 0.00 -0.04 0.00 0.00 63.50 62.70 1y9j n PRO 89 Cb 0.50 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.38 4.63 0.29 0.52 -4.23 -1.26 -4.74 115.64 112.23 1y9j s THR 90 Ca 0.28 0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 61.74 1y9j s THR 90 Cb 0.13 -3.75 0.44 0.00 1.34 0.00 0.00 72.50 70.66 1y9j s THR 90 CO 0.00 -0.74 1.56 -0.33 -0.54 0.00 0.00 174.62 174.58 1y9j h GLU 91 N 0.76 0.00 -0.66 3.99 5.08 -2.00 0.75 114.58 122.50 1y9j h GLU 91 Ca -0.46 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1y9j h GLU 91 Cb 1.19 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1y9j h GLU 91 CO 0.62 0.00 0.12 1.05 -1.00 0.00 0.00 179.01 179.80 1y9j h GLU 92 N 0.00 1.08 -0.42 2.33 4.11 -1.94 -2.86 114.58 116.89 1y9j h GLU 92 Ca 0.53 -0.28 -0.07 0.00 0.07 0.00 0.00 59.36 59.61 1y9j h GLU 92 Cb 0.93 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1y9j h GLU 92 CO -0.99 0.99 -0.00 -0.91 0.07 0.00 0.00 179.01 178.16 1y9j h ASN 93 N 1.02 0.73 -0.70 3.06 2.35 0.12 -2.32 115.58 119.84 1y9j h ASN 93 Ca 0.20 -0.31 0.15 0.00 -0.55 0.00 0.00 56.30 55.80 1y9j h ASN 93 Cb 0.42 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1y9j h ASN 93 CO 0.01 0.86 0.48 0.40 -1.65 0.00 0.00 177.43 177.53 1y9j h ILE 94 N 0.58 0.78 0.00 2.81 1.08 -0.49 0.61 117.51 122.88 1y9j h ILE 94 Ca 0.12 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 64.37 1y9j h ILE 94 Cb 0.49 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 1y9j h ILE 94 CO 0.02 0.06 -0.54 -0.78 -0.69 0.00 0.00 178.15 176.22 1y9j h ASP 95 N 0.32 0.00 -0.45 1.72 3.58 -1.23 -3.07 116.42 117.29 1y9j h ASP 95 Ca 0.34 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.67 1y9j h ASP 95 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1y9j h ASP 95 CO -0.09 0.54 -0.19 0.03 -2.88 0.00 0.00 179.24 176.64 1y9j h ARG 96 N 0.00 0.93 -0.48 0.28 2.47 0.72 0.43 114.38 118.73 1y9j h ARG 96 Ca -0.01 -0.40 -0.05 0.00 -1.26 0.00 0.00 59.98 58.27 1y9j h ARG 96 Cb 1.16 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 1y9j h ARG 96 CO 0.07 1.06 0.12 -0.07 0.56 0.00 0.00 179.97 181.70 1y9j h LEU 97 N 0.77 0.72 -0.69 3.04 -0.00 -1.33 0.46 115.31 118.28 1y9j h LEU 97 Ca 0.10 -0.23 -0.11 0.00 -0.00 0.00 0.00 57.88 57.64 1y9j h LEU 97 Cb 0.76 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1y9j h LEU 97 CO 0.06 0.76 -0.19 0.00 -0.00 0.00 0.00 178.44 179.07 1y9j h GLN 99 N 0.71 0.75 0.01 0.00 -0.00 -0.64 -2.80 115.11 113.14 1y9j h GLN 99 Ca 0.10 -0.53 -0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1y9j h GLN 99 Cb 0.70 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.27 1y9j h GLN 99 CO 0.05 1.15 -0.00 0.22 0.00 0.00 0.00 178.83 180.25 1y9j h ASP 100 N 0.47 -0.01 -0.83 -0.69 3.58 0.03 -2.24 116.42 116.73 1y9j h ASP 100 Ca -0.01 -0.65 0.23 0.00 0.42 0.00 0.00 57.03 57.02 1y9j h ASP 100 Cb 1.18 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.19 1y9j h ASP 100 CO 0.12 0.65 0.59 -0.07 -2.88 0.00 0.00 179.24 177.65 1y9j h LEU 101 N -0.68 0.10 0.06 2.28 3.38 0.21 0.28 115.31 120.94 1y9j h LEU 101 Ca -0.00 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 1y9j h LEU 101 Cb 0.66 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1y9j h LEU 101 CO 0.00 0.04 -1.28 0.03 0.09 0.00 0.00 178.44 177.32 1y9j h ARG 102 N 0.10 0.14 0.00 1.13 3.08 -1.48 -3.29 114.38 114.05 1y9j h ARG 102 Ca 0.41 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 1y9j h ARG 102 Cb 1.46 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1y9j h ARG 102 CO -0.05 1.03 -0.50 -0.91 -1.07 0.00 0.00 179.97 178.47 1y9j h ASN 103 N 0.04 0.00 -3.45 7.04 2.35 0.07 -3.47 115.58 118.15 1y9j h ASN 103 Ca -0.13 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.32 1y9j h ASN 103 Cb 1.91 0.00 0.05 0.00 0.05 0.00 0.00 38.32 40.33 1y9j h ASN 103 CO 0.15 0.50 -0.44 0.00 -1.65 0.00 0.00 177.43 175.99 1y9j n GLN 104 N -3.70 -3.74 -0.28 0.81 6.02 0.20 -4.90 117.38 111.80 1y9j n GLN 104 Ca -0.01 0.66 0.07 0.00 -0.01 0.00 0.00 57.00 57.71 1y9j n GLN 104 Cb 0.56 -4.99 0.29 0.00 1.02 0.00 0.00 30.24 27.12 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 -1.09 0.80 -8.20 1.08 3.38 -1.91 -3.40 115.31 105.98 1y9j h LEU 105 Ca -0.39 0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.31 1y9j h LEU 105 Cb 1.27 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.66 1y9j h LEU 105 CO 0.41 0.48 -0.74 -0.31 0.09 0.00 0.00 178.44 178.37 1y9j s TYR 106 N -5.81 0.74 0.11 1.13 1.51 -1.26 0.18 117.35 113.95 1y9j s TYR 106 Ca -0.11 -0.50 -0.21 0.00 -1.01 0.00 0.00 57.07 55.24 1y9j s TYR 106 Cb 0.21 -0.44 -0.08 0.00 -0.11 0.00 0.00 41.96 41.54 1y9j s TYR 106 CO 0.79 -0.07 1.75 1.49 -1.11 0.00 0.00 175.55 178.41 1y9j h GLU 107 N 4.44 0.13 -6.04 -0.62 4.57 -1.53 -3.45 114.58 112.09 1y9j h GLU 107 Ca -0.36 -0.01 -0.54 0.00 -1.18 0.00 0.00 59.36 57.27 1y9j h GLU 107 Cb 1.20 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 1y9j h GLU 107 CO 0.41 0.08 -0.37 0.45 -1.18 0.00 0.00 179.01 178.40 1y9j s SER 108 N -5.28 4.77 -0.43 1.04 0.15 -1.26 -4.25 113.70 108.44 1y9j s SER 108 Ca -0.13 -0.99 0.08 0.00 0.70 0.00 0.00 55.95 55.61 1y9j s SER 108 Cb 0.08 -0.20 0.29 0.00 -1.71 0.00 0.00 66.02 64.48 1y9j s SER 108 CO 0.68 -0.80 0.82 -1.22 1.20 0.00 0.00 173.24 173.92 1y9j n TYR 109 N -1.57 -1.61 -1.56 3.44 4.02 -0.81 -2.47 117.16 116.61 1y9j n TYR 109 Ca 0.01 -2.81 -0.15 0.00 -0.01 0.00 0.00 57.90 54.94 1y9j n TYR 109 Cb 0.63 0.62 -0.08 0.00 -0.02 0.00 0.00 39.34 40.49 1y9j n TYR 109 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1y9j n TYR 110 N 0.91 1.11 -2.63 -0.72 4.19 0.28 -3.02 117.16 117.28 1y9j n TYR 110 Ca 0.15 -0.01 -0.34 0.00 3.31 0.00 0.00 57.90 61.01 1y9j n TYR 110 Cb 0.63 -2.50 -0.05 0.00 0.49 0.00 0.00 39.34 37.92 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 13.82 3.97 -0.21 2.98 1.43 0.28 0.15 118.68 141.10 1y9j s LEU 111 Ca 0.96 1.89 -0.05 0.00 -1.03 0.00 0.00 54.13 55.90 1y9j s LEU 111 Cb -0.18 -4.44 0.10 0.00 0.03 0.00 0.00 46.19 41.70 1y9j s LEU 111 CO 0.12 -0.57 0.38 0.21 0.23 0.00 0.00 176.35 176.73 1y9j s ASN 112 N -1.92 0.02 -0.16 2.29 3.04 -0.50 0.69 114.94 118.41 1y9j s ASN 112 Ca 0.63 0.64 -0.12 0.00 0.04 0.00 0.00 52.86 54.05 1y9j s ASN 112 Cb -0.16 1.18 -0.05 0.00 -1.54 0.00 0.00 41.25 40.68 1y9j s ASN 112 CO 0.20 -0.26 0.23 -0.36 -3.04 0.00 0.00 177.10 173.87 1y9j s PHE 113 N 2.56 3.47 0.10 0.43 0.08 -1.22 0.47 117.98 123.86 1y9j s PHE 113 Ca 0.04 0.51 -0.11 0.00 0.12 0.00 0.00 56.93 57.50 1y9j s PHE 113 Cb -0.13 -2.24 -0.18 0.00 -0.57 0.00 0.00 43.02 39.90 1y9j s PHE 113 CO -0.13 0.32 1.24 0.82 -0.10 0.00 0.00 175.22 177.37 1y9j h ILE 114 N 4.57 1.32 -1.03 0.64 1.08 -1.86 -3.37 117.51 118.86 1y9j h ILE 114 Ca -0.43 -2.28 -0.47 0.00 -0.39 0.00 0.00 64.86 61.29 1y9j h ILE 114 Cb 1.17 2.35 0.02 0.00 -3.07 0.00 0.00 36.82 37.29 1y9j h ILE 114 CO 0.74 0.70 -0.17 -0.55 -0.69 0.00 0.00 178.15 178.17 1y9j s SER 115 N -7.21 5.26 -0.64 1.72 0.15 -1.26 -1.78 113.70 109.94 1y9j s SER 115 Ca -0.09 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 55.61 1y9j s SER 115 Cb 0.08 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.39 1y9j s SER 115 CO 0.90 -1.11 1.00 0.00 1.20 0.00 0.00 173.24 175.24 1y9j s ALA 116 N -2.56 3.08 0.54 5.45 0.00 -1.26 -4.79 121.76 122.22 1y9j s ALA 116 Ca 0.57 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1y9j s ALA 116 Cb -0.07 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1y9j s ALA 116 CO 0.36 -2.74 0.89 -1.50 0.00 0.00 0.00 175.76 172.77 1y9j s ILE 117 N 4.25 4.79 0.26 0.00 2.07 -1.26 -5.09 121.20 126.22 1y9j s ILE 117 Ca 0.26 0.48 0.07 0.00 -1.41 0.00 0.00 60.65 60.05 1y9j s ILE 117 Cb -0.15 -3.86 -0.03 0.00 0.13 0.00 0.00 42.46 38.55 1y9j s ILE 117 CO 0.13 -0.97 0.22 -0.44 -1.91 0.00 0.00 174.94 171.98 1y9j s SER 118 N -4.14 5.55 0.33 4.50 0.01 -1.26 -4.93 113.70 113.75 1y9j s SER 118 Ca 0.51 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.59 1y9j s SER 118 Cb -0.11 -1.38 0.81 0.00 0.21 0.00 0.00 66.02 65.56 1y9j s SER 118 CO 0.49 -0.08 1.81 0.03 0.41 0.00 0.00 173.24 175.90 1y9j h ARG 119 N 1.44 0.68 0.57 12.44 -0.00 -1.98 0.64 114.38 128.16 1y9j h ARG 119 Ca -0.48 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 58.93 1y9j h ARG 119 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 31.06 1y9j h ARG 119 CO 0.60 0.45 -0.28 0.66 0.00 0.00 0.00 179.97 181.40 1y9j h SER 120 N 0.70 -0.67 -0.24 7.04 4.64 -1.99 0.27 113.55 123.29 1y9j h SER 120 Ca 0.53 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.79 1y9j h SER 120 Cb 0.91 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1y9j h SER 120 CO -0.30 -0.47 -0.15 0.11 -0.87 0.00 0.00 176.83 175.14 1y9j h LYS 121 N -0.77 0.67 0.41 4.77 1.57 -1.74 -2.91 116.57 118.57 1y9j h LYS 121 Ca -0.08 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1y9j h LYS 121 Cb 0.60 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1y9j h LYS 121 CO 0.12 0.79 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.53 1y9j h LEU 122 N 0.60 -0.47 -1.64 2.94 3.38 0.49 -2.36 115.31 118.26 1y9j h LEU 122 Ca 0.10 -0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.29 1y9j h LEU 122 Cb 0.61 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1y9j h LEU 122 CO 0.04 -0.27 0.65 -0.33 0.09 0.00 0.00 178.44 178.62 1y9j h GLU 123 N -0.64 0.26 -0.34 1.13 5.08 -0.43 0.27 114.58 119.91 1y9j h GLU 123 Ca -0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1y9j h GLU 123 Cb 0.47 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1y9j h GLU 123 CO 0.09 0.17 0.15 0.22 -1.00 0.00 0.00 179.01 178.64 1y9j h ASP 124 N 0.26 0.20 -0.04 1.42 1.82 -1.23 1.01 116.42 119.86 1y9j h ASP 124 Ca 0.50 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 57.15 1y9j h ASP 124 Cb 1.50 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.50 1y9j h ASP 124 CO -0.15 0.15 -0.06 0.40 -1.61 0.00 0.00 179.24 177.97 1y9j h ILE 125 N 0.31 1.41 -0.49 2.25 5.03 -0.42 0.72 117.51 126.32 1y9j h ILE 125 Ca 0.15 -1.31 0.07 0.00 -0.12 0.00 0.00 64.86 63.64 1y9j h ILE 125 Cb 0.09 2.19 -0.06 0.00 -3.03 0.00 0.00 36.82 36.02 1y9j h ILE 125 CO -0.13 0.35 0.17 0.00 -0.68 0.00 0.00 178.15 177.87 1y9j h ALA 126 N 0.49 0.59 0.00 1.87 0.00 -0.67 -0.01 119.26 121.53 1y9j h ALA 126 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1y9j h ALA 126 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1y9j h ALA 126 CO 0.01 -0.22 -0.63 -0.91 0.00 0.00 0.00 179.25 177.51 1y9j h ASN 127 N 0.35 0.00 -0.41 0.00 2.35 0.11 -2.64 115.58 115.33 1y9j h ASN 127 Ca 0.23 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.10 1y9j h ASN 127 Cb 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1y9j h ASN 127 CO -0.24 0.63 0.43 0.00 -1.65 0.00 0.00 177.43 176.59 1y9j h ALA 128 N 1.37 2.13 0.16 -0.83 0.00 0.24 0.13 119.26 122.47 1y9j h ALA 128 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 1y9j h ALA 128 Cb 1.13 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1y9j h ALA 128 CO 0.08 -0.64 -1.81 0.00 0.00 0.00 0.00 179.25 176.89 1y9j h ALA 129 N 1.53 0.26 -0.99 0.00 0.00 -1.09 -3.34 119.26 115.63 1y9j h ALA 129 Ca 0.20 -1.22 0.29 0.00 0.00 0.00 0.00 54.91 54.17 1y9j h ALA 129 Cb 1.05 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1y9j h ALA 129 CO -0.00 1.13 0.80 -0.07 0.00 0.00 0.00 179.25 181.11 1y9j h LEU 130 N 0.09 0.00 -0.39 0.00 -0.00 -0.60 1.35 115.31 115.76 1y9j h LEU 130 Ca -0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1y9j h LEU 130 Cb 2.07 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.72 1y9j h LEU 130 CO 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 178.44 178.67 1y9j h ALA 131 N 1.33 0.52 -0.02 1.53 0.00 -1.62 -3.13 119.26 117.86 1y9j h ALA 131 Ca 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1y9j h ALA 131 Cb 2.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1y9j h ALA 131 CO -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 1y9j n ALA 132 N -2.35 2.56 -3.53 0.00 0.00 0.78 -4.98 120.51 112.99 1y9j n ALA 132 Ca -0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 1y9j n ALA 132 Cb 0.21 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.09 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 0.97 -5.96 -4.93 0.00 4.13 0.43 -5.00 115.26 104.90 1y9j n ASN 133 Ca 0.11 -0.51 -0.26 0.00 1.68 0.00 0.00 54.58 55.60 1y9j n ASN 133 Cb 0.47 -4.77 0.03 0.00 -1.54 0.00 0.00 39.78 33.98 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y9j s ALA 134 N -3.30 3.37 -0.51 5.41 0.00 -1.02 -4.99 121.76 120.73 1y9j s ALA 134 Ca 0.53 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.52 1y9j s ALA 134 Cb -0.23 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.48 1y9j s ALA 134 CO 0.69 -0.82 0.45 0.08 0.00 0.00 0.00 175.76 176.15 1y9j s VAL 135 N -2.96 5.20 0.10 0.00 1.01 -1.26 -4.75 120.40 117.75 1y9j s VAL 135 Ca 0.54 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1y9j s VAL 135 Cb -0.10 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1y9j s VAL 135 CO 0.44 -0.73 -0.16 0.42 0.00 0.00 0.00 175.10 175.07 1y9j s THR 136 N 1.62 2.97 -0.14 3.92 -4.23 -1.26 -1.93 115.64 116.59 1y9j s THR 136 Ca 0.04 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1y9j s THR 136 Cb -0.27 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.28 1y9j s THR 136 CO 0.05 0.14 0.25 0.00 -0.54 0.00 0.00 174.62 174.52 1y9j s GLN 137 N -2.05 0.15 -0.61 3.99 -2.07 -1.17 -4.98 119.66 112.93 1y9j s GLN 137 Ca 0.18 0.65 -0.22 0.00 -1.82 0.00 0.00 55.36 54.15 1y9j s GLN 137 Cb -0.11 -0.24 0.06 0.00 -1.09 0.00 0.00 33.01 31.64 1y9j s GLN 137 CO 0.10 -0.35 0.90 0.08 -1.32 0.00 0.00 175.29 174.70 1y9j s VAL 138 N 2.40 4.43 1.34 3.63 1.01 -1.26 0.10 120.40 132.06 1y9j s VAL 138 Ca 0.03 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1y9j s VAL 138 Cb -0.13 -4.59 0.34 0.00 0.00 0.00 0.00 36.38 32.00 1y9j s VAL 138 CO -0.09 -1.27 1.02 0.00 0.00 0.00 0.00 175.10 174.76 1y9j n ALA 139 N 7.38 -4.20 -1.43 5.51 0.00 0.22 -4.95 120.51 123.05 1y9j n ALA 139 Ca -0.03 -1.61 -0.30 0.00 0.00 0.00 0.00 53.44 51.50 1y9j n ALA 139 Cb 0.46 -0.12 0.11 0.00 0.00 0.00 0.00 19.45 19.90 1y9j n ALA 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1y9j s LYS 140 N -5.35 1.66 0.11 0.00 -0.14 -1.26 -4.41 119.74 110.34 1y9j s LYS 140 Ca 0.70 0.65 0.03 0.00 -1.36 0.00 0.00 55.97 56.00 1y9j s LYS 140 Cb -0.09 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 1y9j s LYS 140 CO 0.56 -1.92 0.11 0.08 -0.76 0.00 0.00 175.35 173.42 1y9j s VAL 141 N -3.09 4.60 0.00 3.17 1.01 -1.26 -4.37 120.40 120.46 1y9j s VAL 141 Ca 0.62 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1y9j s VAL 141 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1y9j s VAL 141 CO 0.55 0.05 0.00 2.22 0.00 0.00 0.00 175.10 177.92 1y9j n PHE 142 N 0.16 0.00 0.14 5.22 -1.74 -1.26 -4.74 117.46 115.25 1y9j n PHE 142 Ca -0.08 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.86 1y9j n PHE 142 Cb 0.53 0.08 0.26 0.00 1.52 0.00 0.00 39.48 41.86 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 -2.72 0.23 0.22 5.98 -0.08 -1.03 -2.73 116.55 116.42 1y9j n ASP 143 Ca 0.00 0.59 0.17 0.00 -1.51 0.00 0.00 54.79 54.05 1y9j n ASP 143 Cb 0.39 -0.63 0.85 0.00 2.34 0.00 0.00 41.12 44.07 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 -0.13 -0.67 -0.00 -1.64 -1.57 115.11 111.09 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.54 1y9j h GLN 144 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 178.83 181.31 1y9j n TYR 145 N -3.73 0.24 -3.57 3.99 4.11 -1.11 -4.94 117.16 112.16 1y9j n TYR 145 Ca 0.01 -0.62 -0.01 0.00 -0.00 0.00 0.00 57.90 57.28 1y9j n TYR 145 Cb 0.31 -0.09 0.01 0.00 -0.00 0.00 0.00 39.34 39.57 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 -0.35 0.00 0.00 -3.48 -0.00 -0.59 -5.13 117.00 107.46 1y9j n LEU 146 Ca 0.08 -0.53 0.00 0.00 -0.00 0.00 0.00 56.01 55.57 1y9j n LEU 146 Cb 0.43 0.98 0.00 0.00 -0.00 0.00 0.00 43.42 44.84 1y9j n LEU 146 CO 0.04 -0.18 0.00 0.59 -0.00 0.00 0.00 177.39 177.85