#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 -0.32 0.44 0.00 0.02 -2.06 -1.69 113.55 109.94 1y9j h SER 9 Ca 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1y9j h SER 9 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1y9j h SER 9 CO 0.00 -0.17 -0.21 0.40 -1.14 0.00 0.00 176.83 175.70 1y9j h ILE 10 N -0.44 0.57 -1.01 3.27 5.03 -2.01 -2.44 117.51 120.47 1y9j h ILE 10 Ca -0.04 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 64.94 1y9j h ILE 10 Cb 0.34 0.57 -0.11 0.00 -3.03 0.00 0.00 36.82 34.58 1y9j h ILE 10 CO 0.06 0.00 0.62 -0.09 -0.68 0.00 0.00 178.15 178.07 1y9j h ARG 11 N -0.59 0.53 -0.30 2.37 9.65 -1.98 0.25 114.38 124.32 1y9j h ARG 11 Ca -0.06 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1y9j h ARG 11 Cb 0.45 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1y9j h ARG 11 CO 0.10 0.35 0.19 0.93 2.80 0.00 0.00 179.97 184.35 1y9j h GLU 12 N 0.55 0.39 -0.98 0.20 5.08 -0.87 -2.04 114.58 116.91 1y9j h GLU 12 Ca 0.62 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 59.12 1y9j h GLU 12 Cb 1.26 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1y9j h GLU 12 CO -0.40 0.27 0.61 0.00 -1.00 0.00 0.00 179.01 178.49 1y9j h ARG 13 N 0.40 0.74 -0.44 2.33 3.08 -0.08 0.42 114.38 120.83 1y9j h ARG 13 Ca 0.11 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.19 1y9j h ARG 13 Cb -0.04 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.78 1y9j h ARG 13 CO -0.02 0.49 0.08 1.96 -1.07 0.00 0.00 179.97 181.40 1y9j h GLN 14 N 0.77 0.20 -0.01 0.04 4.20 -0.91 -1.11 115.11 118.29 1y9j h GLN 14 Ca 0.53 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 59.11 1y9j h GLN 14 Cb 0.83 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1y9j h GLN 14 CO -0.31 0.13 -0.58 1.79 -0.67 0.00 0.00 178.83 179.19 1y9j h THR 15 N 0.20 1.41 -0.39 -0.54 1.35 -0.90 -3.04 112.91 110.99 1y9j h THR 15 Ca 0.22 -1.98 0.08 0.00 -0.55 0.00 0.00 66.41 64.18 1y9j h THR 15 Cb 0.28 2.05 -0.09 0.00 -1.73 0.00 0.00 68.15 68.66 1y9j h THR 15 CO -0.29 0.57 -0.23 0.58 -0.25 0.00 0.00 175.52 175.89 1y9j h VAL 16 N 0.03 0.36 -0.36 6.82 2.07 0.31 1.12 116.25 126.59 1y9j h VAL 16 Ca -0.01 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1y9j h VAL 16 Cb 1.03 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1y9j h VAL 16 CO 0.08 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.41 1y9j h ALA 17 N 1.03 0.87 0.32 1.67 0.00 -1.54 -2.75 119.26 118.86 1y9j h ALA 17 Ca 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1y9j h ALA 17 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1y9j h ALA 17 CO -0.49 0.63 -0.15 -0.07 0.00 0.00 0.00 179.25 179.16 1y9j h LEU 18 N 0.64 -0.37 -1.27 0.00 3.38 -0.99 -2.98 115.31 113.72 1y9j h LEU 18 Ca 0.08 0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.41 1y9j h LEU 18 Cb 0.76 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1y9j h LEU 18 CO 0.06 -0.20 0.71 0.11 0.09 0.00 0.00 178.44 179.21 1y9j h LYS 19 N -0.56 0.25 0.09 1.13 1.57 0.11 0.55 116.57 119.72 1y9j h LYS 19 Ca -0.04 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1y9j h LYS 19 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1y9j h LYS 19 CO 0.07 0.17 -0.11 0.00 -0.57 0.00 0.00 179.45 179.01 1y9j h ARG 20 N 0.26 -0.22 0.00 3.15 3.08 -1.47 1.06 114.38 120.24 1y9j h ARG 20 Ca 0.72 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1y9j h ARG 20 Cb 1.95 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1y9j h ARG 20 CO -0.43 -0.15 0.00 0.00 -1.07 0.00 0.00 179.97 178.32 1y9j h MET 21 N -0.23 0.00 0.00 0.04 -0.00 -0.58 0.87 114.93 115.03 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 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1y9j h MET 21 CO -0.04 0.00 -0.82 1.28 -0.00 0.00 0.00 176.91 177.33 1y9j n LEU 22 N -3.04 0.68 0.00 -0.10 4.77 0.16 -4.63 117.00 114.84 1y9j n LEU 22 Ca 0.04 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1y9j n LEU 22 Cb 0.50 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1y9j n LEU 22 CO 0.33 0.14 -0.12 0.59 -1.33 0.00 0.00 177.39 176.99 1y9j n ASN 23 N -1.65 1.07 -4.47 -1.43 3.02 0.36 -4.77 115.26 107.39 1y9j n ASN 23 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1y9j n ASN 23 Cb 0.37 0.04 -0.04 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 -1.25 2.71 0.17 3.10 5.36 0.30 -5.01 117.98 123.36 1y9j s PHE 24 Ca 0.00 -0.39 -0.30 0.00 -0.96 0.00 0.00 56.93 55.27 1y9j s PHE 24 Cb 0.00 -4.20 -0.08 0.00 -0.34 0.00 0.00 43.02 38.40 1y9j s PHE 24 CO 0.00 -1.55 1.20 0.54 -1.46 0.00 0.00 175.22 173.95 1y9j s ASN 25 N 3.41 7.08 0.68 6.13 4.22 -1.26 -4.45 114.94 130.74 1y9j s ASN 25 Ca 0.24 2.21 -0.13 0.00 -2.14 0.00 0.00 52.86 53.04 1y9j s ASN 25 Cb -0.16 -2.60 0.01 0.00 1.28 0.00 0.00 41.25 39.78 1y9j s ASN 25 CO 0.13 -0.39 1.08 0.68 -2.04 0.00 0.00 177.10 176.56 1y9j s VAL 26 N 0.12 3.54 -0.88 3.54 -7.23 -1.26 -4.82 120.40 113.40 1y9j s VAL 26 Ca 0.54 0.63 -0.21 0.00 -1.81 0.00 0.00 61.98 61.12 1y9j s VAL 26 Cb -0.32 -3.18 -0.23 0.00 0.56 0.00 0.00 36.38 33.21 1y9j s VAL 26 CO 0.35 -0.53 2.40 -2.65 -0.31 0.00 0.00 175.10 174.36 1y9j n PRO 27 N -2.72 0.26 -5.01 4.82 -0.02 -1.26 -4.89 135.00 126.18 1y9j n PRO 27 Ca 0.09 -0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.11 1y9j n PRO 27 Cb 0.53 -2.03 -0.15 0.00 -0.02 0.00 0.00 33.50 31.83 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 7.32 2.23 -0.46 6.00 2.46 -1.26 -5.09 115.29 126.48 1y9j s HIS 28 Ca 1.21 -0.41 -0.29 0.00 0.47 0.00 0.00 55.06 56.04 1y9j s HIS 28 Cb -0.73 -1.37 0.02 0.00 -0.13 0.00 0.00 32.58 30.36 1y9j s HIS 28 CO 0.41 0.06 1.32 0.08 -2.47 0.00 0.00 174.74 174.14 1y9j s VAL 29 N -0.72 3.98 -0.52 0.89 1.01 -1.26 -4.97 120.40 118.80 1y9j s VAL 29 Ca 0.10 0.97 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 1y9j s VAL 29 Cb -0.10 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 31.93 1y9j s VAL 29 CO 0.01 -0.93 1.00 -0.54 0.00 0.00 0.00 175.10 174.64 1y9j s LYS 30 N 4.89 3.46 -0.05 2.72 1.02 -1.26 -4.92 119.74 125.60 1y9j s LYS 30 Ca 0.55 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.56 1y9j s LYS 30 Cb -0.11 -4.00 -0.00 0.00 -0.52 0.00 0.00 37.83 33.20 1y9j s LYS 30 CO 0.31 -1.43 -0.02 -0.91 -0.92 0.00 0.00 175.35 172.38 1y9j h ASN 31 N 9.28 0.00 -3.15 2.83 4.21 -1.98 -3.44 115.58 123.33 1y9j h ASN 31 Ca -0.25 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.69 1y9j h ASN 31 Cb 1.07 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.22 1y9j h ASN 31 CO 1.09 0.25 1.07 -0.44 -1.29 0.00 0.00 177.43 178.10 1y9j s SER 32 N -4.22 6.39 0.29 5.81 0.01 -1.26 -4.99 113.70 115.73 1y9j s SER 32 Ca -0.01 1.04 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 1y9j s SER 32 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1y9j s SER 32 CO 0.02 -1.34 1.09 -2.16 0.41 0.00 0.00 173.24 171.25 1y9j s PRO 33 N 4.76 4.60 0.00 12.44 0.04 -1.26 -3.39 135.00 152.19 1y9j s PRO 33 Ca 0.62 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1y9j s PRO 33 Cb -0.16 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1y9j s PRO 33 CO 0.30 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.94 1y9j n GLY 34 N 1.11 3.18 3.79 0.56 0.00 -1.26 -5.04 105.19 107.54 1y9j n GLY 34 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.46 4.45 0.90 1.61 0.41 -1.22 -5.06 118.70 119.34 1y9j s GLU 35 Ca 0.00 1.08 -0.12 0.00 -0.41 0.00 0.00 54.97 55.52 1y9j s GLU 35 Cb 0.00 -3.04 0.13 0.00 -1.78 0.00 0.00 34.13 29.44 1y9j s GLU 35 CO 0.00 0.46 1.11 -1.25 -0.49 0.00 0.00 175.26 175.09 1y9j s PRO 36 N -1.61 1.23 -0.52 0.39 0.04 -1.26 -5.02 135.00 128.26 1y9j s PRO 36 Ca 0.41 0.52 -0.10 0.00 0.04 0.00 0.00 61.00 61.87 1y9j s PRO 36 Cb -0.20 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.64 1y9j s PRO 36 CO 0.24 -2.18 0.40 0.08 0.04 0.00 0.00 177.00 175.57 1y9j s VAL 37 N -3.12 4.37 0.74 -0.36 1.01 -1.26 -5.08 120.40 116.70 1y9j s VAL 37 Ca 0.63 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 1y9j s VAL 37 Cb -0.16 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1y9j s VAL 37 CO 0.55 -0.81 1.11 0.26 0.00 0.00 0.00 175.10 176.21 1y9j s TRP 38 N 1.18 2.49 -0.03 5.22 0.52 -1.26 -4.94 118.94 122.12 1y9j s TRP 38 Ca 0.07 1.58 -0.09 0.00 0.02 0.00 0.00 56.10 57.68 1y9j s TRP 38 Cb -0.25 -3.14 0.01 0.00 -1.15 0.00 0.00 33.47 28.94 1y9j s TRP 38 CO -0.01 -1.88 0.19 0.15 0.02 0.00 0.00 176.95 175.42 1y9j s LYS 39 N -4.54 0.44 0.26 4.98 1.02 -0.46 -4.25 119.74 117.20 1y9j s LYS 39 Ca 0.64 -0.12 0.07 0.00 0.02 0.00 0.00 55.97 56.58 1y9j s LYS 39 Cb -0.19 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1y9j s LYS 39 CO 0.50 -0.10 0.22 0.08 -0.92 0.00 0.00 175.35 175.13 1y9j s VAL 40 N -0.86 4.38 -0.05 3.17 1.01 0.19 -0.30 120.40 127.94 1y9j s VAL 40 Ca -0.09 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.45 1y9j s VAL 40 Cb -0.05 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1y9j s VAL 40 CO 0.02 -0.33 0.15 -0.22 0.00 0.00 0.00 175.10 174.72 1y9j s LEU 41 N -3.87 1.43 -0.24 3.92 2.96 -0.46 0.14 118.68 122.57 1y9j s LEU 41 Ca 0.34 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1y9j s LEU 41 Cb -0.08 0.55 0.07 0.00 0.50 0.00 0.00 46.19 47.23 1y9j s LEU 41 CO 0.25 -0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.58 1y9j s ILE 42 N -0.14 0.91 0.20 6.68 -1.09 0.98 -2.67 121.20 126.07 1y9j s ILE 42 Ca -0.02 -0.99 0.09 0.00 -2.23 0.00 0.00 60.65 57.50 1y9j s ILE 42 Cb -0.02 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 1y9j s ILE 42 CO 0.00 -0.31 -0.06 -0.72 -1.23 0.00 0.00 174.94 172.62 1y9j s TYR 43 N 1.65 2.67 0.04 3.97 -0.85 -1.12 -0.54 117.35 123.17 1y9j s TYR 43 Ca 0.01 -0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1y9j s TYR 43 Cb -0.18 -1.27 0.01 0.00 0.38 0.00 0.00 41.96 40.89 1y9j s TYR 43 CO -0.12 0.54 0.04 -3.47 -1.52 0.00 0.00 175.55 171.03 1y9j n ASP 44 N -0.20 0.66 -0.31 -0.18 2.03 -1.24 -3.08 116.55 114.23 1y9j n ASP 44 Ca -0.10 -1.13 0.12 0.00 0.52 0.00 0.00 54.79 54.21 1y9j n ASP 44 Cb 0.56 -0.02 0.30 0.00 -0.72 0.00 0.00 41.12 41.25 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 0.47 0.17 -0.67 -0.00 -2.00 0.74 114.38 113.09 1y9j h ARG 45 Ca -0.02 -0.03 -0.31 0.00 -0.00 0.00 0.00 59.98 59.61 1y9j h ARG 45 Cb 0.09 -0.11 0.03 0.00 -0.00 0.00 0.00 29.97 29.99 1y9j h ARG 45 CO 0.04 0.31 -1.33 0.74 -0.00 0.00 0.00 179.97 179.73 1y9j h PHE 46 N 0.48 1.01 -1.00 4.08 -1.00 -1.95 -2.71 116.94 115.85 1y9j h PHE 46 Ca 0.55 -0.67 0.18 0.00 2.81 0.00 0.00 57.97 60.84 1y9j h PHE 46 Cb 0.99 -0.07 -0.10 0.00 3.61 0.00 0.00 35.95 40.38 1y9j h PHE 46 CO -0.11 1.51 0.62 0.78 -1.61 0.00 0.00 178.31 179.50 1y9j h GLY 47 N 0.26 1.77 2.00 -1.45 0.00 -1.15 0.46 103.07 104.96 1y9j h GLY 47 Ca -0.21 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 1y9j h GLY 47 CO 0.25 -0.04 -0.66 0.06 0.00 0.00 0.00 176.54 176.15 1y9j h GLN 48 N 0.79 0.00 0.00 4.80 3.07 -1.04 -0.22 115.11 122.51 1y9j h GLN 48 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.31 1y9j h GLN 48 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 1y9j h GLN 48 CO -0.37 0.66 0.00 -3.47 0.09 0.00 0.00 178.83 175.75 1y9j n ASP 49 N -3.35 0.19 0.00 0.06 2.03 0.15 -2.41 116.55 113.23 1y9j n ASP 49 Ca 0.01 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1y9j n ASP 49 Cb 0.77 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.72 0.00 -0.14 5.18 5.41 -0.71 -4.59 119.36 122.79 1y9j n ILE 50 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 1y9j n ILE 50 Cb 0.15 -0.57 -0.00 0.00 -0.71 0.00 0.00 39.64 38.50 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 1.19 0.71 1.39 2.10 -1.09 -3.15 117.51 118.65 1y9j h ILE 51 Ca 0.00 -0.56 -0.03 0.00 1.08 0.00 0.00 64.86 65.34 1y9j h ILE 51 Cb 0.93 0.79 0.01 0.00 -1.09 0.00 0.00 36.82 37.46 1y9j h ILE 51 CO 0.00 0.21 -0.34 0.28 -1.08 0.00 0.00 178.15 177.22 1y9j h SER 52 N 0.52 -0.81 -0.50 2.19 0.02 -1.57 0.64 113.55 114.04 1y9j h SER 52 Ca 0.14 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.25 1y9j h SER 52 Cb 0.16 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1y9j h SER 52 CO -0.01 -0.54 0.74 1.55 -1.14 0.00 0.00 176.83 177.42 1y9j h PRO 53 N -1.00 0.00 0.00 3.45 0.13 -1.77 0.48 132.00 133.29 1y9j h PRO 53 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1y9j h PRO 53 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1y9j h PRO 53 CO 0.16 0.00 -0.13 1.28 -0.23 0.00 0.00 178.00 179.08 1y9j n LEU 54 N -3.29 1.67 -3.55 1.56 4.77 -1.06 -5.06 117.00 112.04 1y9j n LEU 54 Ca 0.10 -2.41 -0.09 0.00 -0.03 0.00 0.00 56.01 53.59 1y9j n LEU 54 Cb 0.92 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1y9j n LEU 54 CO 0.21 0.56 0.76 -0.22 -1.33 0.00 0.00 177.39 177.37 1y9j s LEU 55 N -1.95 -0.34 0.40 2.23 0.20 0.22 -5.01 118.68 114.42 1y9j s LEU 55 Ca 0.21 0.19 0.04 0.00 0.69 0.00 0.00 54.13 55.26 1y9j s LEU 55 Cb 0.18 1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 47.80 1y9j s LEU 55 CO 0.02 -0.45 0.13 -0.44 -0.29 0.00 0.00 176.35 175.33 1y9j s SER 56 N -1.79 2.69 0.04 3.68 0.01 -1.26 -3.81 113.70 113.25 1y9j s SER 56 Ca 0.02 -1.66 -0.25 0.00 1.31 0.00 0.00 55.95 55.37 1y9j s SER 56 Cb -0.01 0.48 -0.17 0.00 0.21 0.00 0.00 66.02 66.54 1y9j s SER 56 CO -0.03 -0.93 1.51 0.58 0.41 0.00 0.00 173.24 174.78 1y9j h VAL 57 N 1.83 1.02 -0.36 3.43 2.07 -1.98 0.28 116.25 122.53 1y9j h VAL 57 Ca -0.35 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1y9j h VAL 57 Cb 1.27 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1y9j h VAL 57 CO 0.56 0.11 0.03 0.11 0.02 0.00 0.00 177.57 178.39 1y9j h LYS 58 N -0.34 0.56 -0.01 1.57 1.57 -1.99 -1.75 116.57 116.18 1y9j h LYS 58 Ca -0.01 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 1y9j h LYS 58 Cb 0.28 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1y9j h LYS 58 CO 0.02 0.56 -0.76 0.93 -0.57 0.00 0.00 179.45 179.64 1y9j h GLU 59 N 0.54 0.10 -0.01 3.15 4.39 -1.93 -1.00 114.58 119.81 1y9j h GLU 59 Ca 0.12 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1y9j h GLU 59 Cb 0.31 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1y9j h GLU 59 CO 0.01 0.81 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.57 1y9j h LEU 60 N 0.06 -0.07 -0.36 1.33 3.38 0.41 0.98 115.31 121.04 1y9j h LEU 60 Ca -0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1y9j h LEU 60 Cb 1.33 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1y9j h LEU 60 CO 0.11 -0.04 -0.32 0.03 0.09 0.00 0.00 178.44 178.31 1y9j h ARG 61 N -0.04 0.00 0.00 1.13 2.47 -1.41 -2.87 114.38 113.66 1y9j h ARG 61 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1y9j h ARG 61 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1y9j h ARG 61 CO -0.03 0.32 0.00 0.22 0.56 0.00 0.00 179.97 181.04 1y9j h ASP 62 N 0.00 0.00 1.62 7.04 1.82 -0.72 -3.16 116.42 123.03 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 0.04 0.00 -0.37 0.24 -1.61 0.00 0.00 179.24 177.54 1y9j h MET 63 N 0.00 0.00 0.00 0.28 2.86 -0.75 -3.47 114.93 113.84 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 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 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 1.13 1.60 3.69 8.32 0.00 -1.19 -4.89 105.19 113.85 1y9j n GLY 64 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 5.33 -0.55 -0.61 2.07 -1.09 -1.35 121.20 123.00 1y9j s ILE 65 Ca 0.00 0.36 0.24 0.00 -1.41 0.00 0.00 60.65 59.83 1y9j s ILE 65 Cb 0.00 -3.56 0.05 0.00 0.13 0.00 0.00 42.46 39.08 1y9j s ILE 65 CO 0.00 0.36 1.28 0.00 -1.91 0.00 0.00 174.94 174.67 1y9j h THR 66 N 4.87 0.00 -1.23 4.00 1.03 -1.00 -3.42 112.91 117.17 1y9j h THR 66 Ca -0.39 -0.61 0.15 0.00 -0.01 0.00 0.00 66.41 65.55 1y9j h THR 66 Cb 1.16 1.20 -0.31 0.00 -1.07 0.00 0.00 68.15 69.13 1y9j h THR 66 CO 0.71 0.00 0.75 -0.22 -0.01 0.00 0.00 175.52 176.75 1y9j s LEU 67 N -4.54 -0.18 -0.04 0.00 1.98 -1.25 -5.02 118.68 109.64 1y9j s LEU 67 Ca 0.05 0.34 -0.02 0.00 -2.89 0.00 0.00 54.13 51.61 1y9j s LEU 67 Cb 0.12 1.34 0.03 0.00 0.66 0.00 0.00 46.19 48.34 1y9j s LEU 67 CO 0.73 -0.06 0.09 -1.38 -1.89 0.00 0.00 176.35 173.84 1y9j s HIS 68 N 0.10 -0.08 0.24 5.38 -3.43 -1.26 -1.35 115.29 114.89 1y9j s HIS 68 Ca 0.06 0.30 -0.22 0.00 -0.80 0.00 0.00 55.06 54.40 1y9j s HIS 68 Cb -0.05 -0.11 0.04 0.00 -1.43 0.00 0.00 32.58 31.02 1y9j s HIS 68 CO -0.13 -0.11 0.71 -0.48 -2.00 0.00 0.00 174.74 172.73 1y9j s LEU 69 N 0.88 -0.33 0.03 5.38 -0.00 -1.09 -5.02 118.68 118.53 1y9j s LEU 69 Ca -0.07 -0.44 -0.25 0.00 -0.00 0.00 0.00 54.13 53.37 1y9j s LEU 69 Cb -0.10 2.66 -0.05 0.00 -0.00 0.00 0.00 46.19 48.70 1y9j s LEU 69 CO -0.04 -1.22 0.78 -0.76 -0.00 0.00 0.00 176.35 175.12 1y9j s LEU 70 N -2.87 4.43 0.62 1.48 1.43 -1.26 -2.81 118.68 119.70 1y9j s LEU 70 Ca 0.09 1.45 0.27 0.00 -1.03 0.00 0.00 54.13 54.90 1y9j s LEU 70 Cb -0.04 -3.26 1.38 0.00 0.03 0.00 0.00 46.19 44.29 1y9j s LEU 70 CO 0.02 -0.03 1.79 -0.07 0.23 0.00 0.00 176.35 178.29 1y9j h LEU 71 N 5.89 0.00 -3.82 1.79 4.07 -1.89 0.42 115.31 121.78 1y9j h LEU 71 Ca -0.43 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 56.98 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 0.72 0.00 0.71 1.57 -1.08 0.00 0.00 178.44 180.35 1y9j n HIS 72 N -3.30 2.72 -4.25 1.13 -0.00 -1.26 -4.92 115.22 105.34 1y9j n HIS 72 Ca 0.05 -2.49 -0.19 0.00 0.46 0.00 0.00 57.72 55.55 1y9j n HIS 72 Cb 0.67 -1.21 -0.07 0.00 -0.12 0.00 0.00 29.99 29.25 1y9j n HIS 72 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1y9j n SER 73 N -0.63 -0.82 -4.52 0.26 7.64 0.15 -5.10 113.62 110.59 1y9j n SER 73 Ca 0.53 -3.16 -0.42 0.00 1.01 0.00 0.00 58.87 56.83 1y9j n SER 73 Cb 0.83 1.82 -0.03 0.00 -1.01 0.00 0.00 64.21 65.81 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 -3.32 6.25 0.78 6.43 1.11 -1.26 -4.95 116.67 121.72 1y9j s ASP 74 Ca 0.39 -0.48 -0.12 0.00 0.18 0.00 0.00 52.55 52.52 1y9j s ASP 74 Cb 0.02 -2.49 0.06 0.00 1.07 0.00 0.00 42.92 41.57 1y9j s ASP 74 CO 0.27 -1.54 1.10 -0.13 1.18 0.00 0.00 175.17 176.06 1y9j s ARG 75 N 4.76 2.21 0.15 8.23 0.52 -1.26 -5.04 118.95 128.52 1y9j s ARG 75 Ca 0.32 0.57 0.10 0.00 -0.52 0.00 0.00 55.73 56.20 1y9j s ARG 75 Cb -0.11 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1y9j s ARG 75 CO 0.16 -1.52 -0.20 0.34 0.02 0.00 0.00 175.30 174.11 1y9j s ASP 76 N -4.03 3.71 -0.45 0.23 2.15 -1.26 -5.10 116.67 111.92 1y9j s ASP 76 Ca 0.60 -0.68 -0.23 0.00 0.43 0.00 0.00 52.55 52.67 1y9j s ASP 76 Cb -0.14 -0.43 0.03 0.00 -0.30 0.00 0.00 42.92 42.08 1y9j s ASP 76 CO 0.53 0.15 0.79 -2.16 -0.17 0.00 0.00 175.17 174.32 1y9j s PRO 77 N -2.35 3.42 -0.51 4.34 0.04 -1.26 -4.79 135.00 133.90 1y9j s PRO 77 Ca 0.19 -0.08 0.07 0.00 0.04 0.00 0.00 61.00 61.22 1y9j s PRO 77 Cb -0.10 -3.94 0.26 0.00 0.04 0.00 0.00 34.50 30.77 1y9j s PRO 77 CO 0.10 -1.12 0.64 -0.89 0.04 0.00 0.00 177.00 175.77 1y9j n ILE 78 N 6.15 0.81 0.30 0.56 -0.00 0.50 -4.92 119.36 122.76 1y9j n ILE 78 Ca 0.03 -4.62 0.17 0.00 -0.00 0.00 0.00 62.75 58.33 1y9j n ILE 78 Cb 0.48 -1.94 0.95 0.00 -0.00 0.00 0.00 39.64 39.13 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 4.01 0.00 -0.78 0.38 -0.00 -1.79 -2.15 114.38 114.05 1y9j h ARG 79 Ca 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.06 1y9j h ARG 79 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.71 1y9j h ARG 79 CO 0.64 0.03 0.06 -3.47 -0.00 0.00 0.00 179.97 177.24 1y9j n ASP 80 N -3.45 3.87 -3.71 0.08 -0.08 -1.26 -3.33 116.55 108.68 1y9j n ASP 80 Ca -0.02 -2.64 -0.12 0.00 -1.51 0.00 0.00 54.79 50.50 1y9j n ASP 80 Cb 0.14 -0.63 -0.12 0.00 2.34 0.00 0.00 41.12 42.85 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1y9j s VAL 81 N -2.09 -0.08 0.41 5.18 1.01 -0.81 -5.00 120.40 119.02 1y9j s VAL 81 Ca 0.34 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 1y9j s VAL 81 Cb 0.26 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 1y9j s VAL 81 CO 0.09 0.06 1.43 -2.65 0.00 0.00 0.00 175.10 174.03 1y9j n PRO 82 N 4.36 2.39 -4.43 2.72 -0.02 -1.26 -2.71 135.00 136.05 1y9j n PRO 82 Ca -0.23 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 61.84 1y9j n PRO 82 Cb 0.53 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 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 -1.16 2.68 -0.02 3.55 0.00 -1.05 0.55 121.76 126.32 1y9j s ALA 83 Ca 0.58 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.85 1y9j s ALA 83 Cb -0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1y9j s ALA 83 CO 0.60 0.36 -0.19 0.08 0.00 0.00 0.00 175.76 176.61 1y9j s VAL 84 N -2.08 1.52 -0.58 0.00 1.01 0.38 0.89 120.40 121.53 1y9j s VAL 84 Ca 0.26 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1y9j s VAL 84 Cb -0.07 -1.27 0.22 0.00 0.00 0.00 0.00 36.38 35.27 1y9j s VAL 84 CO 0.13 0.43 0.59 -1.22 0.00 0.00 0.00 175.10 175.03 1y9j n TYR 85 N 2.73 2.20 -2.59 5.22 4.02 0.35 0.33 117.16 129.41 1y9j n TYR 85 Ca -0.16 -3.97 -0.42 0.00 -0.01 0.00 0.00 57.90 53.34 1y9j n TYR 85 Cb 0.53 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.67 2.62 0.30 -0.72 5.36 0.29 -1.44 117.98 122.72 1y9j s PHE 86 Ca 0.34 -1.04 0.05 0.00 -0.96 0.00 0.00 56.93 55.32 1y9j s PHE 86 Cb 0.09 -4.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.06 1y9j s PHE 86 CO -0.09 -1.88 0.21 0.14 -1.46 0.00 0.00 175.22 172.14 1y9j s VAL 87 N 4.66 0.10 0.53 3.12 -7.23 0.19 -3.60 120.40 118.17 1y9j s VAL 87 Ca 0.47 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 1y9j s VAL 87 Cb 0.00 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.39 1y9j s VAL 87 CO -0.06 0.00 1.03 -0.32 -0.31 0.00 0.00 175.10 175.43 1y9j s MET 88 N -3.69 3.69 -0.46 4.82 1.75 -1.26 -2.63 119.30 121.52 1y9j s MET 88 Ca 0.38 1.19 -0.01 0.00 -1.25 0.00 0.00 55.69 56.00 1y9j s MET 88 Cb 0.04 -2.09 0.34 0.00 2.84 0.00 0.00 34.83 35.96 1y9j s MET 88 CO 0.22 -0.50 1.98 -0.35 -0.65 0.00 0.00 175.02 175.71 1y9j n PRO 89 N -1.48 2.16 -2.64 4.11 -0.04 -1.26 -4.59 135.00 131.26 1y9j n PRO 89 Ca 0.08 -2.31 -0.32 0.00 -0.04 0.00 0.00 63.50 60.91 1y9j n PRO 89 Cb 0.53 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 32.04 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 -3.29 4.52 0.28 0.52 -4.23 -1.26 -4.74 115.64 107.44 1y9j s THR 90 Ca 0.45 1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 62.15 1y9j s THR 90 Cb 0.36 -3.67 0.44 0.00 1.34 0.00 0.00 72.50 70.97 1y9j s THR 90 CO 0.00 -0.51 1.53 -0.62 -0.54 0.00 0.00 174.62 174.49 1y9j n GLU 91 N -1.14 -0.09 -0.17 3.99 1.02 -1.26 0.90 120.64 123.90 1y9j n GLU 91 Ca 0.06 1.51 -0.09 0.00 -0.02 0.00 0.00 57.16 58.63 1y9j n GLU 91 Cb 0.54 -2.30 0.01 0.00 -0.02 0.00 0.00 31.44 29.67 1y9j n GLU 91 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1y9j h GLU 92 N 0.00 0.76 -0.64 3.49 5.08 -1.96 -2.83 114.58 118.48 1y9j h GLU 92 Ca 0.51 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1y9j h GLU 92 Cb 0.87 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1y9j h GLU 92 CO -0.98 0.72 0.34 -0.91 -1.00 0.00 0.00 179.01 177.17 1y9j h ASN 93 N 0.66 0.81 -0.72 1.42 4.21 0.26 -1.80 115.58 120.43 1y9j h ASN 93 Ca 0.16 -0.11 0.15 0.00 1.21 0.00 0.00 56.30 57.71 1y9j h ASN 93 Cb 0.27 -0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.22 1y9j h ASN 93 CO -0.01 0.69 0.49 0.40 -1.29 0.00 0.00 177.43 177.71 1y9j h ILE 94 N 0.88 0.79 0.00 2.81 1.08 0.10 0.55 117.51 123.71 1y9j h ILE 94 Ca 0.22 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.47 1y9j h ILE 94 Cb 0.06 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1y9j h ILE 94 CO -0.03 0.07 -0.46 -0.78 -0.69 0.00 0.00 178.15 176.25 1y9j h ASP 95 N 0.36 0.00 0.07 1.72 1.82 -1.12 -3.07 116.42 116.20 1y9j h ASP 95 Ca 0.35 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.83 1y9j h ASP 95 Cb 0.86 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1y9j h ASP 95 CO -0.10 0.46 -0.58 0.03 -1.61 0.00 0.00 179.24 177.44 1y9j h ARG 96 N 0.00 0.52 -0.32 0.28 2.47 0.54 -1.35 114.38 116.53 1y9j h ARG 96 Ca -0.00 -0.34 -0.05 0.00 -1.26 0.00 0.00 59.98 58.32 1y9j h ARG 96 Cb 1.11 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1y9j h ARG 96 CO 0.06 0.96 0.00 -0.07 0.56 0.00 0.00 179.97 181.48 1y9j h LEU 97 N 0.40 0.56 -1.25 3.04 -0.00 -1.25 0.14 115.31 116.94 1y9j h LEU 97 Ca 0.00 -0.31 -0.07 0.00 -0.00 0.00 0.00 57.88 57.50 1y9j h LEU 97 Cb 1.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 1y9j h LEU 97 CO 0.11 0.73 -0.35 0.00 -0.00 0.00 0.00 178.44 178.92 1y9j h GLN 99 N 0.00 0.53 0.08 0.00 1.08 -0.93 -2.79 115.11 113.09 1y9j h GLN 99 Ca -0.00 -0.57 -0.26 0.00 -1.45 0.00 0.00 58.65 56.36 1y9j h GLN 99 Cb 0.70 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1y9j h GLN 99 CO 0.05 1.20 -1.26 -0.44 -0.95 0.00 0.00 178.83 177.43 1y9j h ASP 100 N 0.10 0.27 0.40 1.46 5.19 -0.85 -2.92 116.42 120.07 1y9j h ASP 100 Ca -0.10 -0.31 -0.08 0.00 -0.62 0.00 0.00 57.03 55.93 1y9j h ASP 100 Cb 1.48 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 1y9j h ASP 100 CO 0.16 1.25 -0.37 -0.07 -3.12 0.00 0.00 179.24 177.08 1y9j h LEU 101 N 0.05 0.00 0.08 1.55 3.38 0.03 -2.68 115.31 117.72 1y9j h LEU 101 Ca -0.13 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.57 1y9j h LEU 101 Cb 1.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1y9j h LEU 101 CO 0.17 0.37 -1.37 0.03 0.09 0.00 0.00 178.44 177.72 1y9j h ARG 102 N 0.00 0.17 0.00 1.13 3.08 -1.56 -3.28 114.38 113.92 1y9j h ARG 102 Ca -0.00 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1y9j h ARG 102 Cb 0.67 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1y9j h ARG 102 CO 0.05 1.04 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.93 1y9j h ASN 103 N 0.05 0.00 -3.67 7.04 2.35 -1.32 -3.47 115.58 116.56 1y9j h ASN 103 Ca -0.17 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.21 1y9j h ASN 103 Cb 1.95 0.00 0.04 0.00 0.05 0.00 0.00 38.32 40.36 1y9j h ASN 103 CO 0.15 0.15 -0.52 0.00 -1.65 0.00 0.00 177.43 175.56 1y9j n GLN 104 N -3.57 -3.66 0.17 0.81 6.02 -1.03 -4.86 117.38 111.27 1y9j n GLN 104 Ca -0.01 0.83 0.17 0.00 -0.01 0.00 0.00 57.00 57.98 1y9j n GLN 104 Cb 0.29 -5.46 0.78 0.00 1.02 0.00 0.00 30.24 26.88 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 -0.94 0.00 -8.23 1.08 3.38 -1.89 -3.41 115.31 105.29 1y9j h LEU 105 Ca -0.47 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 1y9j h LEU 105 Cb 1.33 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1y9j h LEU 105 CO 0.51 0.00 -0.56 -0.31 0.09 0.00 0.00 178.44 178.17 1y9j s TYR 106 N -4.76 0.59 -0.02 1.13 1.51 -1.26 0.19 117.35 114.73 1y9j s TYR 106 Ca -0.05 -1.02 -0.25 0.00 -1.01 0.00 0.00 57.07 54.75 1y9j s TYR 106 Cb 0.16 -0.32 -0.20 0.00 -0.11 0.00 0.00 41.96 41.49 1y9j s TYR 106 CO 0.60 -0.52 1.20 1.49 -1.11 0.00 0.00 175.55 177.20 1y9j h GLU 107 N 2.86 0.11 -6.23 -0.62 4.81 -1.51 -3.45 114.58 110.55 1y9j h GLU 107 Ca -0.34 -0.07 -0.51 0.00 -0.13 0.00 0.00 59.36 58.31 1y9j h GLU 107 Cb 1.19 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1y9j h GLU 107 CO 0.58 0.67 -0.29 0.45 -0.73 0.00 0.00 179.01 179.69 1y9j s SER 108 N -5.95 5.02 -0.43 1.04 0.15 -1.26 -3.89 113.70 108.38 1y9j s SER 108 Ca -0.16 -0.85 0.08 0.00 0.70 0.00 0.00 55.95 55.72 1y9j s SER 108 Cb 0.02 -0.18 0.30 0.00 -1.71 0.00 0.00 66.02 64.45 1y9j s SER 108 CO 0.71 -0.91 0.87 -1.22 1.20 0.00 0.00 173.24 173.89 1y9j n TYR 109 N -1.77 -1.82 -1.56 3.44 4.01 -0.31 -2.52 117.16 116.63 1y9j n TYR 109 Ca 0.05 -2.69 -0.13 0.00 -0.16 0.00 0.00 57.90 54.97 1y9j n TYR 109 Cb 0.62 0.78 -0.07 0.00 -0.31 0.00 0.00 39.34 40.36 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 0.82 1.17 -2.68 -0.72 4.19 0.26 -2.94 117.16 117.26 1y9j n TYR 110 Ca 0.14 -0.02 -0.34 0.00 3.31 0.00 0.00 57.90 60.99 1y9j n TYR 110 Cb 0.64 -2.63 -0.05 0.00 0.49 0.00 0.00 39.34 37.79 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 14.95 3.89 -0.24 2.98 1.43 0.87 0.13 118.68 142.69 1y9j s LEU 111 Ca 0.93 1.81 -0.06 0.00 -1.03 0.00 0.00 54.13 55.79 1y9j s LEU 111 Cb -0.13 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.66 1y9j s LEU 111 CO 0.08 -0.58 0.47 0.21 0.23 0.00 0.00 176.35 176.76 1y9j s ASN 112 N -2.07 -0.42 -0.09 2.29 3.84 -0.52 0.75 114.94 118.71 1y9j s ASN 112 Ca 0.65 0.91 -0.13 0.00 0.21 0.00 0.00 52.86 54.50 1y9j s ASN 112 Cb -0.13 1.55 -0.05 0.00 -0.55 0.00 0.00 41.25 42.07 1y9j s ASN 112 CO 0.17 -0.25 0.30 -0.36 -2.79 0.00 0.00 177.10 174.17 1y9j s PHE 113 N 2.67 3.59 -0.18 0.43 0.08 -1.21 0.56 117.98 123.92 1y9j s PHE 113 Ca 0.03 0.73 0.16 0.00 0.12 0.00 0.00 56.93 57.97 1y9j s PHE 113 Cb -0.13 -2.24 0.11 0.00 -0.57 0.00 0.00 43.02 40.19 1y9j s PHE 113 CO -0.15 0.49 1.47 0.82 -0.10 0.00 0.00 175.22 177.75 1y9j h ILE 114 N 4.18 0.77 -0.85 0.64 1.08 -1.83 -3.36 117.51 118.13 1y9j h ILE 114 Ca -0.48 -2.07 -0.61 0.00 -0.39 0.00 0.00 64.86 61.31 1y9j h ILE 114 Cb 1.20 2.37 -0.09 0.00 -3.07 0.00 0.00 36.82 37.23 1y9j h ILE 114 CO 0.67 0.43 -0.44 -0.55 -0.69 0.00 0.00 178.15 177.57 1y9j s SER 115 N -6.43 4.37 -1.12 1.72 0.15 -1.26 -2.51 113.70 108.62 1y9j s SER 115 Ca 0.04 -1.34 -0.18 0.00 0.70 0.00 0.00 55.95 55.17 1y9j s SER 115 Cb 0.07 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.64 1y9j s SER 115 CO 0.74 -0.83 1.44 0.00 1.20 0.00 0.00 173.24 175.78 1y9j s ALA 116 N -2.75 3.37 0.94 5.45 0.00 -1.26 -4.80 121.76 122.71 1y9j s ALA 116 Ca 0.27 -2.85 -0.10 0.00 0.00 0.00 0.00 51.96 49.28 1y9j s ALA 116 Cb 0.01 -4.33 0.16 0.00 0.00 0.00 0.00 23.12 18.96 1y9j s ALA 116 CO 0.15 -3.15 1.13 1.51 0.00 0.00 0.00 175.76 175.39 1y9j n ILE 117 N 5.81 0.00 -4.02 0.00 3.06 -1.26 -5.02 119.36 117.93 1y9j n ILE 117 Ca 0.36 -0.04 -0.25 0.00 -2.50 0.00 0.00 62.75 60.32 1y9j n ILE 117 Cb 0.47 -0.99 -0.04 0.00 0.54 0.00 0.00 39.64 39.62 1y9j n ILE 117 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1y9j s SER 118 N -2.61 5.95 0.38 9.51 0.01 -1.26 -4.94 113.70 120.74 1y9j s SER 118 Ca 0.67 -0.00 0.15 0.00 1.31 0.00 0.00 55.95 58.07 1y9j s SER 118 Cb -0.23 -1.68 1.00 0.00 0.21 0.00 0.00 66.02 65.32 1y9j s SER 118 CO 0.59 0.03 1.79 0.03 0.41 0.00 0.00 173.24 176.08 1y9j h ARG 119 N 1.98 0.48 0.07 12.44 -0.00 -1.98 0.43 114.38 127.80 1y9j h ARG 119 Ca -0.49 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 58.96 1y9j h ARG 119 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.07 1y9j h ARG 119 CO 0.64 0.32 -0.03 0.77 0.00 0.00 0.00 179.97 181.67 1y9j h SER 120 N 0.49 -0.08 -0.38 7.04 0.02 -2.00 -1.81 113.55 116.84 1y9j h SER 120 Ca 0.57 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1y9j h SER 120 Cb 1.27 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1y9j h SER 120 CO -0.30 0.36 0.19 0.11 -1.14 0.00 0.00 176.83 176.05 1y9j h LYS 121 N -0.55 0.59 -0.45 3.45 1.57 -1.58 -2.33 116.57 117.28 1y9j h LYS 121 Ca -0.01 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1y9j h LYS 121 Cb 0.47 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1y9j h LYS 121 CO 0.02 0.47 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.28 1y9j h LEU 122 N 0.59 0.79 -1.70 2.94 3.38 -0.15 -2.61 115.31 118.55 1y9j h LEU 122 Ca 0.15 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 57.91 1y9j h LEU 122 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1y9j h LEU 122 CO -0.02 0.92 0.40 -0.33 0.09 0.00 0.00 178.44 179.50 1y9j h GLU 123 N 0.64 0.32 0.25 1.13 5.08 -0.77 0.30 114.58 121.54 1y9j h GLU 123 Ca 0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1y9j h GLU 123 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1y9j h GLU 123 CO 0.03 0.21 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.69 1y9j h ASP 124 N 0.33 -0.28 -0.35 1.42 3.32 -1.27 0.12 116.42 119.72 1y9j h ASP 124 Ca 0.28 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1y9j h ASP 124 Cb 0.64 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1y9j h ASP 124 CO -0.07 -0.05 -0.01 0.40 -1.72 0.00 0.00 179.24 177.80 1y9j h ILE 125 N -0.52 1.26 -0.82 0.35 5.03 -1.24 0.95 117.51 122.53 1y9j h ILE 125 Ca -0.03 -0.99 0.07 0.00 -0.12 0.00 0.00 64.86 63.78 1y9j h ILE 125 Cb 0.38 1.21 -0.06 0.00 -3.03 0.00 0.00 36.82 35.32 1y9j h ILE 125 CO 0.06 0.33 0.49 0.00 -0.68 0.00 0.00 178.15 178.35 1y9j h ALA 126 N 0.86 1.13 0.00 1.87 0.00 -0.41 -0.54 119.26 122.17 1y9j h ALA 126 Ca 0.10 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1y9j h ALA 126 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1y9j h ALA 126 CO 0.02 0.20 -0.79 -0.91 0.00 0.00 0.00 179.25 177.77 1y9j h ASN 127 N 0.88 0.00 -0.99 0.00 2.35 -0.50 -3.02 115.58 114.29 1y9j h ASN 127 Ca 0.37 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.38 1y9j h ASN 127 Cb 0.22 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 1y9j h ASN 127 CO -0.19 0.79 0.67 0.00 -1.65 0.00 0.00 177.43 177.05 1y9j h ALA 128 N 1.21 2.53 0.16 -0.83 0.00 0.26 -0.17 119.26 122.42 1y9j h ALA 128 Ca -0.01 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1y9j h ALA 128 Cb 1.51 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1y9j h ALA 128 CO 0.10 -0.85 -1.79 0.00 0.00 0.00 0.00 179.25 176.71 1y9j h ALA 129 N 1.57 0.24 -0.85 0.00 0.00 -1.47 -3.35 119.26 115.40 1y9j h ALA 129 Ca 0.51 -1.22 0.25 0.00 0.00 0.00 0.00 54.91 54.45 1y9j h ALA 129 Cb 1.59 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1y9j h ALA 129 CO -0.14 1.09 0.72 -0.07 0.00 0.00 0.00 179.25 180.85 1y9j h LEU 130 N 0.04 0.00 -1.37 0.00 3.38 -0.92 2.10 115.31 118.55 1y9j h LEU 130 Ca -0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1y9j h LEU 130 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 1y9j h LEU 130 CO 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.50 1y9j h ALA 131 N 1.35 1.48 0.00 1.53 0.00 -1.55 -3.00 119.26 119.08 1y9j h ALA 131 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y9j h ALA 131 Cb 1.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1y9j h ALA 131 CO -0.00 0.37 -0.52 0.00 0.00 0.00 0.00 179.25 179.10 1y9j n ALA 132 N -2.49 3.05 -2.32 0.00 0.00 0.31 -5.00 120.51 114.06 1y9j n ALA 132 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 1y9j n ALA 132 Cb 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.27 -4.41 -4.78 0.00 5.03 0.63 -4.98 115.26 105.48 1y9j n ASN 133 Ca 0.01 -0.03 -0.37 0.00 0.87 0.00 0.00 54.58 55.06 1y9j n ASN 133 Cb 0.15 -3.54 -0.06 0.00 -1.02 0.00 0.00 39.78 35.31 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y9j s ALA 134 N -2.74 3.18 -0.55 5.41 0.00 -1.13 -4.97 121.76 120.96 1y9j s ALA 134 Ca 0.02 0.60 -0.27 0.00 0.00 0.00 0.00 51.96 52.31 1y9j s ALA 134 Cb -0.01 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1y9j s ALA 134 CO 0.03 0.04 1.67 0.08 0.00 0.00 0.00 175.76 177.57 1y9j s VAL 135 N -1.61 3.54 0.30 0.00 1.01 -1.25 -4.77 120.40 117.63 1y9j s VAL 135 Ca 0.52 0.42 0.10 0.00 0.00 0.00 0.00 61.98 63.02 1y9j s VAL 135 Cb -0.20 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1y9j s VAL 135 CO 0.26 -0.96 -0.14 0.42 0.00 0.00 0.00 175.10 174.68 1y9j s THR 136 N 7.51 2.24 -0.30 3.92 -4.23 -1.26 -1.16 115.64 122.35 1y9j s THR 136 Ca 0.63 -2.28 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 1y9j s THR 136 Cb -0.13 -2.45 0.14 0.00 1.34 0.00 0.00 72.50 71.40 1y9j s THR 136 CO 0.24 -0.32 0.70 0.00 -0.54 0.00 0.00 174.62 174.71 1y9j s GLN 137 N -3.58 0.52 -0.39 3.99 0.00 -1.15 -4.96 119.66 114.09 1y9j s GLN 137 Ca 0.30 1.26 -0.26 0.00 -0.00 0.00 0.00 55.36 56.66 1y9j s GLN 137 Cb -0.01 0.75 0.02 0.00 0.00 0.00 0.00 33.01 33.77 1y9j s GLN 137 CO 0.15 -0.24 0.96 0.08 0.00 0.00 0.00 175.29 176.24 1y9j s VAL 138 N 2.83 4.52 0.94 3.63 1.01 -1.26 -0.09 120.40 131.97 1y9j s VAL 138 Ca -0.02 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.00 1y9j s VAL 138 Cb -0.11 -4.39 0.17 0.00 0.00 0.00 0.00 36.38 32.04 1y9j s VAL 138 CO -0.19 -0.63 1.23 0.00 0.00 0.00 0.00 175.10 175.51 1y9j s ALA 139 N 3.65 2.09 0.86 5.51 0.00 0.23 -4.96 121.76 129.14 1y9j s ALA 139 Ca 0.40 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1y9j s ALA 139 Cb -0.11 -2.88 0.11 0.00 0.00 0.00 0.00 23.12 20.23 1y9j s ALA 139 CO 0.21 -2.33 1.10 0.15 0.00 0.00 0.00 175.76 174.89 1y9j s LYS 140 N -5.64 1.53 0.10 0.00 1.02 -1.26 -4.30 119.74 111.19 1y9j s LYS 140 Ca 0.69 0.69 0.03 0.00 0.02 0.00 0.00 55.97 57.39 1y9j s LYS 140 Cb -0.08 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1y9j s LYS 140 CO 0.52 -2.02 0.13 0.08 -0.92 0.00 0.00 175.35 173.15 1y9j s VAL 141 N -3.05 4.73 -0.00 3.17 1.01 -1.26 -4.43 120.40 120.58 1y9j s VAL 141 Ca 0.62 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1y9j s VAL 141 Cb -0.16 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1y9j s VAL 141 CO 0.56 0.05 -0.00 2.22 0.00 0.00 0.00 175.10 177.93 1y9j n PHE 142 N 0.14 0.00 0.12 5.22 -1.74 -1.26 -4.70 117.46 115.23 1y9j n PHE 142 Ca -0.08 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.78 1y9j n PHE 142 Cb 0.52 -0.01 0.13 0.00 1.52 0.00 0.00 39.48 41.64 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 -2.13 3.18 0.19 5.98 9.92 -1.05 -4.14 116.55 128.50 1y9j n ASP 143 Ca -0.00 -2.53 0.08 0.00 -0.53 0.00 0.00 54.79 51.80 1y9j n ASP 143 Cb 0.51 -0.61 0.22 0.00 -0.64 0.00 0.00 41.12 40.59 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 1.15 0.00 -0.00 -1.24 3.07 -1.81 -3.28 115.11 113.01 1y9j h GLN 144 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1y9j h GLN 144 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.00 1y9j h GLN 144 CO 0.33 0.27 -0.14 0.98 0.09 0.00 0.00 178.83 180.36 1y9j n TYR 145 N -3.23 0.00 -4.17 0.06 4.19 -1.26 -4.90 117.16 107.85 1y9j n TYR 145 Ca 0.02 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.08 1y9j n TYR 145 Cb 0.58 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.33 1y9j n TYR 145 CO 0.00 0.00 0.00 -0.48 0.91 0.00 0.00 176.86 177.29 1y9j s LEU 146 N -1.68 1.18 0.00 2.98 -0.00 -1.24 -5.23 118.68 114.69 1y9j s LEU 146 Ca 0.03 -1.46 0.00 0.00 -0.00 0.00 0.00 54.13 52.70 1y9j s LEU 146 Cb 0.03 0.88 0.00 0.00 -0.00 0.00 0.00 46.19 47.10 1y9j s LEU 146 CO 0.14 -1.06 0.00 -3.20 -0.00 0.00 0.00 176.35 172.23