#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 0.05 0.00 0.00 0.87 -2.05 1.13 113.55 113.55 1y9j h SER 9 Ca 0.00 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 1y9j h SER 9 Cb 0.00 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1y9j h SER 9 CO 0.00 -0.02 -0.58 0.40 -0.53 0.00 0.00 176.83 176.11 1y9j h ILE 10 N 0.03 0.78 -0.09 2.23 1.08 -2.03 -3.15 117.51 116.35 1y9j h ILE 10 Ca 0.75 -1.76 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 1y9j h ILE 10 Cb 2.90 1.65 -0.00 0.00 -3.07 0.00 0.00 36.82 38.30 1y9j h ILE 10 CO -0.07 0.26 0.08 -0.09 -0.69 0.00 0.00 178.15 177.64 1y9j h ARG 11 N -1.00 0.00 0.34 2.37 9.65 -1.42 -2.48 114.38 121.85 1y9j h ARG 11 Ca -0.13 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.73 1y9j h ARG 11 Cb 0.84 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 1y9j h ARG 11 CO -0.08 0.00 -0.17 1.05 2.80 0.00 0.00 179.97 183.58 1y9j h GLU 12 N 0.00 -0.45 -1.13 0.20 -0.00 0.11 -3.02 114.58 110.30 1y9j h GLU 12 Ca 0.04 0.03 0.32 0.00 -0.00 0.00 0.00 59.36 59.75 1y9j h GLU 12 Cb 0.19 0.10 -0.06 0.00 -0.00 0.00 0.00 28.75 28.98 1y9j h GLU 12 CO -0.00 -0.12 0.79 0.07 -0.00 0.00 0.00 179.01 179.75 1y9j h ARG 13 N -0.90 0.11 0.29 1.06 -0.00 -1.41 0.22 114.38 113.75 1y9j h ARG 13 Ca -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 1y9j h ARG 13 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 1y9j h ARG 13 CO 0.08 0.07 -0.14 1.96 -0.00 0.00 0.00 179.97 181.94 1y9j h GLN 14 N 0.11 -0.37 0.00 0.08 4.20 -1.37 -2.05 115.11 115.71 1y9j h GLN 14 Ca 0.57 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.29 1y9j h GLN 14 Cb 2.03 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.89 1y9j h GLN 14 CO -0.10 -0.25 -0.09 1.15 -0.67 0.00 0.00 178.83 178.87 1y9j h THR 15 N -0.39 0.49 0.28 -0.54 2.02 -0.54 -2.96 112.91 111.27 1y9j h THR 15 Ca -0.04 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1y9j h THR 15 Cb 0.30 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1y9j h THR 15 CO 0.06 0.09 -0.20 0.58 0.37 0.00 0.00 175.52 176.43 1y9j h VAL 16 N 0.00 0.00 -0.43 3.16 2.07 -0.52 1.11 116.25 121.64 1y9j h VAL 16 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1y9j h VAL 16 Cb 0.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1y9j h VAL 16 CO 0.01 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.94 1y9j h ALA 17 N -1.55 2.32 0.09 1.67 0.00 -1.51 -0.90 119.26 119.38 1y9j h ALA 17 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1y9j h ALA 17 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1y9j h ALA 17 CO 0.02 -0.56 -0.05 -0.07 0.00 0.00 0.00 179.25 178.59 1y9j h LEU 18 N 0.00 -0.11 -1.15 0.00 3.38 -1.23 -3.06 115.31 113.14 1y9j h LEU 18 Ca 0.20 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.43 1y9j h LEU 18 Cb 0.88 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1y9j h LEU 18 CO -0.00 0.04 0.63 0.11 0.09 0.00 0.00 178.44 179.31 1y9j h LYS 19 N -0.36 0.49 -0.01 1.13 1.57 0.14 0.79 116.57 120.33 1y9j h LYS 19 Ca -0.01 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1y9j h LYS 19 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1y9j h LYS 19 CO 0.02 0.32 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.06 1y9j h ARG 20 N 0.50 -0.13 0.00 3.15 2.43 -1.28 0.84 114.38 119.90 1y9j h ARG 20 Ca 0.63 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1y9j h ARG 20 Cb 1.35 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1y9j h ARG 20 CO -0.41 -0.09 -0.02 0.00 -1.51 0.00 0.00 179.97 177.95 1y9j h MET 21 N -0.13 0.00 -0.00 0.20 -0.00 -0.88 0.88 114.93 114.99 1y9j h MET 21 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1y9j h MET 21 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.78 1y9j h MET 21 CO -0.08 0.00 -0.72 1.28 -0.00 0.00 0.00 176.91 177.39 1y9j n LEU 22 N -2.39 0.72 0.00 -0.10 4.77 0.25 -4.62 117.00 115.64 1y9j n LEU 22 Ca 0.05 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1y9j n LEU 22 Cb 0.45 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1y9j n LEU 22 CO 0.31 0.18 -0.15 0.59 -1.33 0.00 0.00 177.39 176.99 1y9j n ASN 23 N -1.49 1.19 -4.54 -1.43 3.02 0.29 -4.84 115.26 107.46 1y9j n ASN 23 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 1y9j n ASN 23 Cb 0.33 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.30 2.48 0.12 3.10 5.36 0.30 -5.00 117.98 123.05 1y9j s PHE 24 Ca 0.00 -0.04 -0.27 0.00 -0.96 0.00 0.00 56.93 55.66 1y9j s PHE 24 Cb 0.00 -4.48 -0.07 0.00 -0.34 0.00 0.00 43.02 38.13 1y9j s PHE 24 CO 0.00 -1.81 0.85 0.54 -1.46 0.00 0.00 175.22 173.34 1y9j s ASN 25 N 3.46 7.41 0.66 6.13 4.22 -1.26 -4.53 114.94 131.02 1y9j s ASN 25 Ca 0.34 1.67 -0.14 0.00 -2.14 0.00 0.00 52.86 52.59 1y9j s ASN 25 Cb -0.10 -2.53 -0.00 0.00 1.28 0.00 0.00 41.25 39.90 1y9j s ASN 25 CO 0.17 0.06 1.08 0.68 -2.04 0.00 0.00 177.10 177.06 1y9j s VAL 26 N -0.49 3.52 -0.59 3.54 -7.23 -1.26 -4.87 120.40 113.03 1y9j s VAL 26 Ca 0.41 0.65 -0.28 0.00 -1.81 0.00 0.00 61.98 60.94 1y9j s VAL 26 Cb -0.23 -3.19 -0.11 0.00 0.56 0.00 0.00 36.38 33.41 1y9j s VAL 26 CO 0.27 -0.50 2.46 -0.81 -0.31 0.00 0.00 175.10 176.21 1y9j n PRO 27 N -2.57 0.84 -4.53 4.82 -0.04 -1.26 -4.92 135.00 127.34 1y9j n PRO 27 Ca 0.09 0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 1y9j n PRO 27 Cb 0.53 -2.88 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1y9j s HIS 28 N 10.84 2.33 -0.15 0.54 2.46 -1.26 -5.11 115.29 124.94 1y9j s HIS 28 Ca 1.08 -0.74 -0.24 0.00 0.47 0.00 0.00 55.06 55.64 1y9j s HIS 28 Cb -0.51 -1.78 -0.02 0.00 -0.13 0.00 0.00 32.58 30.14 1y9j s HIS 28 CO 0.34 0.30 0.76 0.08 -2.47 0.00 0.00 174.74 173.75 1y9j s VAL 29 N -2.74 4.95 -0.31 0.89 1.01 -1.26 -5.04 120.40 117.91 1y9j s VAL 29 Ca 0.29 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.61 1y9j s VAL 29 Cb 0.06 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1y9j s VAL 29 CO 0.15 0.10 0.36 -0.54 0.00 0.00 0.00 175.10 175.17 1y9j s LYS 30 N 1.74 3.75 -0.04 2.72 1.02 -1.26 -4.98 119.74 122.69 1y9j s LYS 30 Ca 0.36 -0.24 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 1y9j s LYS 30 Cb -0.17 -3.74 -0.00 0.00 -0.52 0.00 0.00 37.83 33.40 1y9j s LYS 30 CO 0.14 -0.42 -0.02 -0.97 -0.92 0.00 0.00 175.35 173.16 1y9j h ASN 31 N 8.36 0.00 -3.39 2.83 -1.24 -1.99 -3.44 115.58 116.72 1y9j h ASN 31 Ca -0.31 0.00 -0.73 0.00 0.71 0.00 0.00 56.30 55.97 1y9j h ASN 31 Cb 1.15 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 39.97 1y9j h ASN 31 CO 0.67 0.22 -0.38 -0.55 -1.29 0.00 0.00 177.43 176.09 1y9j s SER 32 N -4.08 6.04 0.55 1.15 0.15 -1.26 -5.07 113.70 111.18 1y9j s SER 32 Ca -0.02 -1.24 -0.21 0.00 0.70 0.00 0.00 55.95 55.19 1y9j s SER 32 Cb 0.00 -2.14 -0.06 0.00 -1.71 0.00 0.00 66.02 62.11 1y9j s SER 32 CO 0.03 -0.57 1.06 -2.65 1.20 0.00 0.00 173.24 172.30 1y9j n PRO 33 N 5.14 1.18 0.00 5.44 -0.02 -1.26 -2.72 135.00 142.76 1y9j n PRO 33 Ca -0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1y9j n PRO 33 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1y9j n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9j n GLY 34 N 1.15 2.86 3.78 -1.23 0.00 -1.26 -5.04 105.19 105.46 1y9j n GLY 34 Ca 0.12 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.86 0.99 1.61 0.41 -1.10 -5.03 118.70 119.44 1y9j s GLU 35 Ca 0.00 1.59 -0.13 0.00 -0.41 0.00 0.00 54.97 56.02 1y9j s GLU 35 Cb 0.00 -2.35 0.19 0.00 -1.78 0.00 0.00 34.13 30.18 1y9j s GLU 35 CO 0.00 -0.42 1.11 -1.25 -0.49 0.00 0.00 175.26 174.21 1y9j s PRO 36 N -2.79 0.46 -0.53 0.39 0.04 -1.26 -5.01 135.00 126.30 1y9j s PRO 36 Ca 0.63 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1y9j s PRO 36 Cb -0.24 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.69 1y9j s PRO 36 CO 0.29 -2.68 0.42 0.08 0.04 0.00 0.00 177.00 175.15 1y9j s VAL 37 N -3.07 4.51 0.68 -0.36 1.01 -1.26 -5.07 120.40 116.85 1y9j s VAL 37 Ca 0.65 -1.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1y9j s VAL 37 Cb -0.17 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1y9j s VAL 37 CO 0.56 -0.83 1.14 0.26 0.00 0.00 0.00 175.10 176.24 1y9j s TRP 38 N 1.20 2.43 -0.14 5.22 0.52 -1.26 -4.96 118.94 121.95 1y9j s TRP 38 Ca 0.07 1.57 -0.07 0.00 0.02 0.00 0.00 56.10 57.69 1y9j s TRP 38 Cb -0.25 -3.27 0.05 0.00 -1.15 0.00 0.00 33.47 28.85 1y9j s TRP 38 CO -0.01 -1.99 0.32 0.21 0.02 0.00 0.00 176.95 175.50 1y9j s LYS 39 N -4.02 0.28 0.43 4.98 2.20 -0.89 -4.45 119.74 118.27 1y9j s LYS 39 Ca 0.69 0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 56.93 1y9j s LYS 39 Cb -0.23 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 1y9j s LYS 39 CO 0.42 -0.17 0.71 0.08 -0.36 0.00 0.00 175.35 176.04 1y9j s VAL 40 N 1.42 4.96 -0.08 4.02 1.01 0.45 -2.55 120.40 129.63 1y9j s VAL 40 Ca -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1y9j s VAL 40 Cb -0.10 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1y9j s VAL 40 CO -0.10 -0.74 0.21 -0.22 0.00 0.00 0.00 175.10 174.25 1y9j s LEU 41 N -4.54 1.06 -0.28 3.92 2.96 -0.59 0.14 118.68 121.35 1y9j s LEU 41 Ca 0.45 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1y9j s LEU 41 Cb -0.10 0.71 0.08 0.00 0.50 0.00 0.00 46.19 47.38 1y9j s LEU 41 CO 0.41 -0.09 0.02 -0.63 -1.32 0.00 0.00 176.35 174.75 1y9j s ILE 42 N 0.33 1.41 0.44 6.68 -1.09 0.90 -2.54 121.20 127.32 1y9j s ILE 42 Ca -0.02 -1.47 0.08 0.00 -2.23 0.00 0.00 60.65 57.01 1y9j s ILE 42 Cb -0.03 -1.89 -0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1y9j s ILE 42 CO -0.01 -0.39 0.46 -0.72 -1.23 0.00 0.00 174.94 173.04 1y9j s TYR 43 N 1.39 2.56 0.00 3.97 1.13 -1.05 -1.32 117.35 124.03 1y9j s TYR 43 Ca 0.03 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 1y9j s TYR 43 Cb -0.18 -2.21 0.00 0.00 -1.10 0.00 0.00 41.96 38.47 1y9j s TYR 43 CO -0.13 -0.30 0.00 -0.25 -2.51 0.00 0.00 175.55 172.37 1y9j n ASP 44 N -1.69 1.68 -0.31 -0.18 8.00 -1.24 -2.47 116.55 120.35 1y9j n ASP 44 Ca 0.05 -0.93 0.11 0.00 0.71 0.00 0.00 54.79 54.73 1y9j n ASP 44 Cb 0.61 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.99 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1y9j h ARG 45 N 0.00 0.52 0.08 -1.24 -0.00 -2.00 0.45 114.38 112.20 1y9j h ARG 45 Ca 0.00 -0.03 -0.22 0.00 -0.00 0.00 0.00 59.98 59.73 1y9j h ARG 45 Cb 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 29.97 29.87 1y9j h ARG 45 CO 0.00 0.35 -0.92 0.74 -0.00 0.00 0.00 179.97 180.14 1y9j h PHE 46 N 0.54 0.77 -0.73 4.08 -1.00 -1.95 -2.75 116.94 115.90 1y9j h PHE 46 Ca 0.53 -0.48 0.16 0.00 2.81 0.00 0.00 57.97 60.99 1y9j h PHE 46 Cb 0.89 -0.06 -0.11 0.00 3.61 0.00 0.00 35.95 40.27 1y9j h PHE 46 CO -0.10 1.33 0.12 0.78 -1.61 0.00 0.00 178.31 178.83 1y9j h GLY 47 N -0.01 0.95 2.00 -1.45 0.00 -1.30 0.71 103.07 103.98 1y9j h GLY 47 Ca -0.14 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1y9j h GLY 47 CO 0.18 -0.23 -0.50 0.06 0.00 0.00 0.00 176.54 176.05 1y9j h GLN 48 N 0.21 0.00 0.00 4.80 3.07 -1.05 0.68 115.11 122.81 1y9j h GLN 48 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 1y9j h GLN 48 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 1y9j h GLN 48 CO -0.55 0.50 0.00 -3.47 0.09 0.00 0.00 178.83 175.40 1y9j n ASP 49 N -3.91 0.21 0.00 0.06 2.03 0.24 -2.24 116.55 112.94 1y9j n ASP 49 Ca -0.01 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1y9j n ASP 49 Cb 0.52 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 -1.75 0.00 0.14 5.18 5.41 -0.53 -4.62 119.36 123.19 1y9j n ILE 50 Ca 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.63 1y9j n ILE 50 Cb 0.14 -0.58 -0.08 0.00 -0.71 0.00 0.00 39.64 38.41 1y9j n ILE 50 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1y9j h ILE 51 N 0.00 0.83 0.38 1.39 2.04 0.31 -3.09 117.51 119.37 1y9j h ILE 51 Ca 0.00 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1y9j h ILE 51 Cb 0.90 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1y9j h ILE 51 CO 0.00 0.05 -0.47 0.28 0.00 0.00 0.00 178.15 178.01 1y9j h SER 52 N -0.39 -1.32 -0.54 1.72 0.02 -1.55 1.17 113.55 112.66 1y9j h SER 52 Ca -0.03 0.12 0.16 0.00 -0.84 0.00 0.00 61.79 61.19 1y9j h SER 52 Cb 0.30 0.45 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1y9j h SER 52 CO 0.05 -0.60 0.74 1.55 -1.14 0.00 0.00 176.83 177.43 1y9j h PRO 53 N -0.88 0.00 0.00 3.45 0.13 -1.75 0.46 132.00 133.41 1y9j h PRO 53 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1y9j h PRO 53 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1y9j h PRO 53 CO -0.12 0.00 -0.25 1.28 -0.23 0.00 0.00 178.00 178.68 1y9j n LEU 54 N -3.34 1.71 -3.56 1.56 4.77 -0.71 -5.06 117.00 112.36 1y9j n LEU 54 Ca 0.11 -2.59 -0.07 0.00 -0.03 0.00 0.00 56.01 53.43 1y9j n LEU 54 Cb 0.94 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1y9j n LEU 54 CO 0.22 0.67 0.84 -0.22 -1.33 0.00 0.00 177.39 177.56 1y9j s LEU 55 N -2.01 -0.28 0.41 2.23 0.20 0.40 -4.99 118.68 114.64 1y9j s LEU 55 Ca 0.25 0.11 0.04 0.00 0.69 0.00 0.00 54.13 55.21 1y9j s LEU 55 Cb 0.22 1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 47.69 1y9j s LEU 55 CO -0.00 -0.39 0.12 -0.55 -0.29 0.00 0.00 176.35 175.24 1y9j s SER 56 N -1.93 2.84 0.02 3.68 0.15 -1.26 -3.82 113.70 113.37 1y9j s SER 56 Ca 0.05 -1.67 -0.23 0.00 0.70 0.00 0.00 55.95 54.79 1y9j s SER 56 Cb -0.01 0.50 -0.17 0.00 -1.71 0.00 0.00 66.02 64.63 1y9j s SER 56 CO -0.05 -0.93 1.38 0.58 1.20 0.00 0.00 173.24 175.43 1y9j h VAL 57 N 1.78 1.31 -0.09 4.45 2.07 -1.99 -0.59 116.25 123.18 1y9j h VAL 57 Ca -0.36 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 1y9j h VAL 57 Cb 1.27 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1y9j h VAL 57 CO 0.57 0.27 -0.31 0.07 0.02 0.00 0.00 177.57 178.20 1y9j h LYS 58 N -0.24 0.18 -0.04 1.57 -0.00 -2.00 -2.41 116.57 113.63 1y9j h LYS 58 Ca 0.01 -0.06 -0.18 0.00 -0.00 0.00 0.00 60.65 60.42 1y9j h LYS 58 Cb 0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 32.65 1y9j h LYS 58 CO 0.01 0.47 -0.77 0.93 -0.00 0.00 0.00 179.45 180.09 1y9j h GLU 59 N 0.16 0.28 -0.21 0.07 4.39 -1.95 -1.03 114.58 116.29 1y9j h GLU 59 Ca 0.02 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.52 1y9j h GLU 59 Cb 0.63 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1y9j h GLU 59 CO 0.05 0.92 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.66 1y9j h LEU 60 N 0.18 -0.30 -0.24 1.33 3.38 -0.60 0.40 115.31 119.47 1y9j h LEU 60 Ca -0.03 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1y9j h LEU 60 Cb 1.35 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1y9j h LEU 60 CO 0.12 -0.12 -0.35 0.03 0.09 0.00 0.00 178.44 178.22 1y9j h ARG 61 N -0.06 0.00 0.00 1.13 2.47 -1.50 -2.92 114.38 113.50 1y9j h ARG 61 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1y9j h ARG 61 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1y9j h ARG 61 CO -0.25 0.35 -0.08 -3.47 0.56 0.00 0.00 179.97 177.09 1y9j n ASP 62 N -3.24 0.52 0.11 7.04 -0.08 -0.40 -3.32 116.55 117.19 1y9j n ASP 62 Ca 0.02 0.48 0.12 0.00 -1.51 0.00 0.00 54.79 53.89 1y9j n ASP 62 Cb 0.63 -0.57 0.01 0.00 2.34 0.00 0.00 41.12 43.53 1y9j n ASP 62 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1y9j h MET 63 N 0.00 0.00 0.00 -0.67 2.86 -0.17 -3.48 114.93 113.47 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 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 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 1.49 3.68 8.32 0.00 -1.21 -4.94 105.19 113.70 1y9j n GLY 64 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1y9j n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y9j s ILE 65 N -2.00 5.28 -0.54 -0.61 2.07 -1.11 -2.10 121.20 122.19 1y9j s ILE 65 Ca 0.00 0.48 0.24 0.00 -1.41 0.00 0.00 60.65 59.96 1y9j s ILE 65 Cb 0.00 -3.63 0.23 0.00 0.13 0.00 0.00 42.46 39.19 1y9j s ILE 65 CO 0.00 0.31 1.54 0.00 -1.91 0.00 0.00 174.94 174.88 1y9j h THR 66 N 4.96 0.00 -1.06 4.00 1.03 -1.83 -3.43 112.91 116.58 1y9j h THR 66 Ca -0.38 -0.75 0.20 0.00 -0.01 0.00 0.00 66.41 65.47 1y9j h THR 66 Cb 1.16 1.61 -0.33 0.00 -1.07 0.00 0.00 68.15 69.53 1y9j h THR 66 CO 0.70 0.00 0.90 -0.22 -0.01 0.00 0.00 175.52 176.89 1y9j s LEU 67 N -5.23 -0.04 -0.05 0.00 1.98 -1.26 -5.00 118.68 109.07 1y9j s LEU 67 Ca 0.07 0.08 -0.02 0.00 -2.89 0.00 0.00 54.13 51.37 1y9j s LEU 67 Cb 0.09 1.08 0.04 0.00 0.66 0.00 0.00 46.19 48.06 1y9j s LEU 67 CO 0.67 -0.02 0.09 -1.38 -1.89 0.00 0.00 176.35 173.82 1y9j s HIS 68 N -0.04 -0.02 0.24 5.38 -3.43 -1.26 -1.54 115.29 114.62 1y9j s HIS 68 Ca 0.08 0.36 -0.10 0.00 -0.80 0.00 0.00 55.06 54.60 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 -0.15 -0.21 0.40 -0.48 -2.00 0.00 0.00 174.74 172.30 1y9j s LEU 69 N 2.12 0.52 -0.02 5.38 -0.00 -1.05 -5.03 118.68 120.60 1y9j s LEU 69 Ca 0.03 -1.05 -0.23 0.00 -0.00 0.00 0.00 54.13 52.88 1y9j s LEU 69 Cb -0.12 1.46 -0.05 0.00 -0.00 0.00 0.00 46.19 47.48 1y9j s LEU 69 CO -0.04 -1.08 0.68 -0.76 -0.00 0.00 0.00 176.35 175.15 1y9j s LEU 70 N -3.06 4.38 0.62 1.48 1.43 -1.26 -2.53 118.68 119.74 1y9j s LEU 70 Ca 0.26 1.24 0.27 0.00 -1.03 0.00 0.00 54.13 54.88 1y9j s LEU 70 Cb 0.01 -3.06 1.41 0.00 0.03 0.00 0.00 46.19 44.57 1y9j s LEU 70 CO 0.10 -0.02 1.82 -0.07 0.23 0.00 0.00 176.35 178.41 1y9j h LEU 71 N 6.16 0.00 -3.78 1.79 4.07 -1.79 0.45 115.31 122.22 1y9j h LEU 71 Ca -0.43 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.01 1y9j h LEU 71 Cb 1.20 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.69 1y9j h LEU 71 CO 0.73 0.00 0.67 1.57 -1.08 0.00 0.00 178.44 180.33 1y9j n HIS 72 N -3.37 2.65 -4.12 1.13 -0.00 -1.26 -4.92 115.22 105.33 1y9j n HIS 72 Ca 0.06 -2.35 -0.10 0.00 0.46 0.00 0.00 57.72 55.78 1y9j n HIS 72 Cb 0.66 -1.15 -0.04 0.00 -0.12 0.00 0.00 29.99 29.34 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 -0.62 -0.39 -4.48 0.26 7.64 0.16 -5.10 113.62 111.08 1y9j n SER 73 Ca 0.52 -2.12 -0.43 0.00 1.01 0.00 0.00 58.87 57.85 1y9j n SER 73 Cb 0.90 0.89 -0.04 0.00 -1.01 0.00 0.00 64.21 64.96 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 -2.20 6.23 0.80 6.43 1.01 -1.26 -4.95 116.67 122.72 1y9j s ASP 74 Ca 0.20 -0.75 -0.12 0.00 0.71 0.00 0.00 52.55 52.60 1y9j s ASP 74 Cb 0.01 -2.43 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1y9j s ASP 74 CO 0.14 -1.38 1.10 -0.13 0.21 0.00 0.00 175.17 175.12 1y9j s ARG 75 N 4.07 2.10 0.18 8.23 0.52 -1.26 -5.03 118.95 127.76 1y9j s ARG 75 Ca 0.25 0.57 0.09 0.00 -0.52 0.00 0.00 55.73 56.13 1y9j s ARG 75 Cb -0.15 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 1y9j s ARG 75 CO 0.13 -1.60 -0.11 -0.51 0.02 0.00 0.00 175.30 173.24 1y9j s ASP 76 N -3.99 4.20 -0.47 0.23 1.11 -1.26 -5.09 116.67 111.40 1y9j s ASP 76 Ca 0.61 -0.59 -0.27 0.00 0.18 0.00 0.00 52.55 52.48 1y9j s ASP 76 Cb -0.14 -0.69 0.03 0.00 1.07 0.00 0.00 42.92 43.19 1y9j s ASP 76 CO 0.54 0.11 1.03 -2.16 1.18 0.00 0.00 175.17 175.86 1y9j s PRO 77 N -2.80 3.62 -0.33 8.23 0.04 -1.26 -4.80 135.00 137.69 1y9j s PRO 77 Ca 0.24 0.34 0.17 0.00 0.04 0.00 0.00 61.00 61.79 1y9j s PRO 77 Cb -0.09 -3.92 0.45 0.00 0.04 0.00 0.00 34.50 30.98 1y9j s PRO 77 CO 0.15 -1.31 0.93 -0.89 0.04 0.00 0.00 177.00 175.92 1y9j n ILE 78 N 6.63 0.95 0.24 0.56 -0.00 0.66 -4.92 119.36 123.47 1y9j n ILE 78 Ca 0.09 -3.33 0.18 0.00 -0.00 0.00 0.00 62.75 59.68 1y9j n ILE 78 Cb 0.49 0.45 0.85 0.00 -0.00 0.00 0.00 39.64 41.43 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 2.98 0.00 -0.27 0.38 0.11 -1.27 0.78 114.38 117.08 1y9j h ARG 79 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1y9j h ARG 79 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1y9j h ARG 79 CO 0.52 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.34 1y9j n ASP 80 N -3.40 1.01 -3.77 0.08 8.00 -1.26 -1.81 116.55 115.40 1y9j n ASP 80 Ca 0.01 -2.03 -0.14 0.00 0.71 0.00 0.00 54.79 53.34 1y9j n ASP 80 Cb 0.39 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.16 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1y9j s VAL 81 N -1.73 -0.05 0.53 2.53 1.01 0.27 -4.94 120.40 118.02 1y9j s VAL 81 Ca 0.11 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1y9j s VAL 81 Cb 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.24 1y9j s VAL 81 CO 0.06 0.07 1.12 -2.65 0.00 0.00 0.00 175.10 173.71 1y9j n PRO 82 N 4.05 1.31 -4.45 2.72 -0.02 -1.26 -2.46 135.00 134.89 1y9j n PRO 82 Ca -0.26 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.49 1y9j n PRO 82 Cb 0.52 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.37 2.46 0.01 3.55 0.00 -0.99 -0.41 121.76 125.00 1y9j s ALA 83 Ca 0.71 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1y9j s ALA 83 Cb -0.45 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1y9j s ALA 83 CO 0.50 -0.04 -0.05 0.08 0.00 0.00 0.00 175.76 176.25 1y9j s VAL 84 N -2.94 0.38 -0.41 0.00 1.01 0.36 0.16 120.40 118.96 1y9j s VAL 84 Ca 0.30 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1y9j s VAL 84 Cb 0.03 -0.37 0.13 0.00 0.00 0.00 0.00 36.38 36.18 1y9j s VAL 84 CO 0.13 -0.07 0.22 -0.31 0.00 0.00 0.00 175.10 175.07 1y9j s TYR 85 N -0.52 1.65 -1.01 5.22 1.51 0.48 0.31 117.35 124.99 1y9j s TYR 85 Ca -0.02 -2.18 -0.13 0.00 -1.01 0.00 0.00 57.07 53.72 1y9j s TYR 85 Cb -0.04 -1.64 0.22 0.00 -0.11 0.00 0.00 41.96 40.38 1y9j s TYR 85 CO -0.00 -0.80 1.06 0.12 -1.11 0.00 0.00 175.55 174.82 1y9j s PHE 86 N 0.61 3.78 0.29 2.71 5.36 -0.44 0.11 117.98 130.41 1y9j s PHE 86 Ca 0.17 -2.15 0.00 0.00 -0.96 0.00 0.00 56.93 53.99 1y9j s PHE 86 Cb -0.24 -3.99 -0.02 0.00 -0.34 0.00 0.00 43.02 38.43 1y9j s PHE 86 CO -0.01 -1.14 0.32 0.14 -1.46 0.00 0.00 175.22 173.08 1y9j s VAL 87 N 0.37 0.00 0.47 3.12 -7.23 0.23 -3.67 120.40 113.69 1y9j s VAL 87 Ca 0.29 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 1y9j s VAL 87 Cb -0.08 -2.52 -0.09 0.00 0.56 0.00 0.00 36.38 34.25 1y9j s VAL 87 CO -0.07 0.00 0.99 -0.32 -0.31 0.00 0.00 175.10 175.39 1y9j s MET 88 N -3.55 4.00 -0.28 4.82 1.75 -1.26 -2.58 119.30 122.19 1y9j s MET 88 Ca 0.35 1.21 -0.03 0.00 -1.25 0.00 0.00 55.69 55.97 1y9j s MET 88 Cb 0.02 -2.14 0.05 0.00 2.84 0.00 0.00 34.83 35.61 1y9j s MET 88 CO 0.20 -0.24 2.59 -0.35 -0.65 0.00 0.00 175.02 176.56 1y9j n PRO 89 N -0.91 1.99 -2.08 4.11 -0.04 -1.26 -4.58 135.00 132.23 1y9j n PRO 89 Ca 0.08 -1.61 -0.32 0.00 -0.04 0.00 0.00 63.50 61.61 1y9j n PRO 89 Cb 0.53 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.48 4.21 0.40 0.52 -4.23 -1.26 -4.70 115.64 109.11 1y9j s THR 90 Ca 0.45 0.96 0.22 0.00 -1.18 0.00 0.00 61.69 62.13 1y9j s THR 90 Cb 0.29 -3.57 0.41 0.00 1.34 0.00 0.00 72.50 70.97 1y9j s THR 90 CO -0.09 -0.71 1.71 -0.33 -0.54 0.00 0.00 174.62 174.67 1y9j h GLU 91 N 0.34 0.28 -0.06 3.99 5.08 -1.99 0.45 114.58 122.68 1y9j h GLU 91 Ca -0.46 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1y9j h GLU 91 Cb 1.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1y9j h GLU 91 CO 0.59 0.19 -0.08 0.93 -1.00 0.00 0.00 179.01 179.64 1y9j h GLU 92 N 0.29 0.16 -0.17 2.33 5.08 -1.95 -2.73 114.58 117.59 1y9j h GLU 92 Ca 0.68 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.95 1y9j h GLU 92 Cb 1.85 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1y9j h GLU 92 CO -0.36 0.64 0.09 -0.91 -1.00 0.00 0.00 179.01 177.47 1y9j h ASN 93 N -0.31 0.15 -0.73 1.42 2.35 -0.70 -1.39 115.58 116.37 1y9j h ASN 93 Ca 0.01 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.94 1y9j h ASN 93 Cb 0.62 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 1y9j h ASN 93 CO 0.02 0.11 0.50 0.40 -1.65 0.00 0.00 177.43 176.81 1y9j h ILE 94 N 0.19 0.71 -0.01 2.81 1.08 -0.36 0.48 117.51 122.41 1y9j h ILE 94 Ca 0.07 -0.06 -0.16 0.00 -0.39 0.00 0.00 64.86 64.31 1y9j h ILE 94 Cb 0.00 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1y9j h ILE 94 CO -0.04 0.03 -0.75 -0.78 -0.69 0.00 0.00 178.15 175.93 1y9j h ASP 95 N 0.19 0.12 0.42 1.72 3.58 -0.95 -2.93 116.42 118.57 1y9j h ASP 95 Ca 0.36 -0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.52 1y9j h ASP 95 Cb 1.13 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 1y9j h ASP 95 CO -0.07 0.82 -0.86 0.03 -2.88 0.00 0.00 179.24 176.28 1y9j h ARG 96 N 0.06 0.32 -0.73 0.28 -0.00 0.62 -1.59 114.38 113.34 1y9j h ARG 96 Ca -0.02 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.98 59.11 1y9j h ARG 96 Cb 1.31 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 31.34 1y9j h ARG 96 CO 0.11 1.00 0.32 -0.07 0.00 0.00 0.00 179.97 181.33 1y9j h LEU 97 N 0.19 0.97 -0.32 3.04 -0.00 -0.83 0.52 115.31 118.87 1y9j h LEU 97 Ca -0.05 -0.12 -0.16 0.00 -0.00 0.00 0.00 57.88 57.54 1y9j h LEU 97 Cb 1.48 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 1y9j h LEU 97 CO 0.14 0.84 -0.77 0.00 -0.00 0.00 0.00 178.44 178.65 1y9j h GLN 99 N 0.00 0.50 0.03 0.00 1.08 -0.56 -2.74 115.11 113.42 1y9j h GLN 99 Ca -0.01 -0.59 -0.25 0.00 -1.45 0.00 0.00 58.65 56.35 1y9j h GLN 99 Cb 1.44 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 29.02 1y9j h GLN 99 CO 0.10 1.22 -1.29 -0.44 -0.95 0.00 0.00 178.83 177.47 1y9j h ASP 100 N 0.25 0.09 0.77 1.46 5.19 0.00 -2.91 116.42 121.28 1y9j h ASP 100 Ca -0.12 -0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.09 1y9j h ASP 100 Cb 1.73 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.20 1y9j h ASP 100 CO 0.19 1.09 -0.39 -0.07 -3.12 0.00 0.00 179.24 176.95 1y9j h LEU 101 N 0.02 0.00 0.05 1.55 3.38 -0.84 -2.74 115.31 116.73 1y9j h LEU 101 Ca -0.13 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.56 1y9j h LEU 101 Cb 1.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 1y9j h LEU 101 CO 0.13 0.39 -1.53 0.03 0.09 0.00 0.00 178.44 177.54 1y9j h ARG 102 N 0.00 0.10 0.00 1.13 3.08 -1.56 -3.32 114.38 113.81 1y9j h ARG 102 Ca -0.00 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1y9j h ARG 102 Cb 0.88 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1y9j h ARG 102 CO 0.05 0.85 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.67 1y9j h ASN 103 N 0.03 0.00 -2.86 7.04 2.35 -1.42 -3.47 115.58 117.24 1y9j h ASN 103 Ca -0.23 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.22 1y9j h ASN 103 Cb 1.96 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.35 1y9j h ASN 103 CO 0.12 0.22 -0.43 0.00 -1.65 0.00 0.00 177.43 175.69 1y9j n GLN 104 N -3.55 -2.51 0.27 0.81 6.02 -1.04 -4.87 117.38 112.52 1y9j n GLN 104 Ca -0.01 0.72 0.18 0.00 -0.01 0.00 0.00 57.00 57.88 1y9j n GLN 104 Cb 0.37 -5.10 0.93 0.00 1.02 0.00 0.00 30.24 27.46 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 -0.54 0.00 -7.82 1.08 3.38 -1.87 -3.33 115.31 106.21 1y9j h LEU 105 Ca -0.39 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 1y9j h LEU 105 Cb 1.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.86 1y9j h LEU 105 CO 0.43 0.00 -0.43 -0.31 0.09 0.00 0.00 178.44 178.22 1y9j s TYR 106 N -4.47 0.14 0.04 1.13 1.51 -1.26 0.24 117.35 114.68 1y9j s TYR 106 Ca -0.05 -0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 55.34 1y9j s TYR 106 Cb 0.14 -0.08 -0.15 0.00 -0.11 0.00 0.00 41.96 41.75 1y9j s TYR 106 CO 0.49 -0.44 1.48 1.49 -1.11 0.00 0.00 175.55 177.46 1y9j h GLU 107 N 3.33 0.12 -5.81 -0.62 4.57 -1.02 -3.44 114.58 111.70 1y9j h GLU 107 Ca -0.33 -0.04 -0.59 0.00 -1.18 0.00 0.00 59.36 57.23 1y9j h GLU 107 Cb 1.19 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 1y9j h GLU 107 CO 0.52 0.37 -0.41 -1.12 -1.18 0.00 0.00 179.01 177.18 1y9j s SER 108 N -5.60 4.50 -0.44 1.04 0.01 -1.26 -4.08 113.70 107.86 1y9j s SER 108 Ca -0.14 -1.22 0.07 0.00 1.31 0.00 0.00 55.95 55.96 1y9j s SER 108 Cb 0.05 0.05 0.23 0.00 0.21 0.00 0.00 66.02 66.55 1y9j s SER 108 CO 0.69 -0.83 0.64 -1.22 0.41 0.00 0.00 173.24 172.93 1y9j n TYR 109 N -1.48 -1.90 -1.66 2.43 4.02 -0.82 -2.35 117.16 115.41 1y9j n TYR 109 Ca -0.04 -2.64 -0.16 0.00 -0.01 0.00 0.00 57.90 55.06 1y9j n TYR 109 Cb 0.65 0.62 -0.07 0.00 -0.02 0.00 0.00 39.34 40.52 1y9j n TYR 109 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1y9j s TYR 110 N -0.10 1.25 0.39 -0.72 6.14 0.12 -2.84 117.35 121.60 1y9j s TYR 110 Ca 0.33 1.76 -0.23 0.00 0.64 0.00 0.00 57.07 59.57 1y9j s TYR 110 Cb 0.15 -3.54 -0.10 0.00 0.42 0.00 0.00 41.96 38.89 1y9j s TYR 110 CO -0.16 -1.59 0.97 -0.51 0.64 0.00 0.00 175.55 174.90 1y9j s LEU 111 N 14.00 4.11 -0.19 6.97 1.43 0.30 0.18 118.68 145.47 1y9j s LEU 111 Ca 0.89 1.83 -0.06 0.00 -1.03 0.00 0.00 54.13 55.75 1y9j s LEU 111 Cb -0.12 -4.29 0.09 0.00 0.03 0.00 0.00 46.19 41.90 1y9j s LEU 111 CO 0.06 -0.32 0.39 0.21 0.23 0.00 0.00 176.35 176.92 1y9j s ASN 112 N -1.85 -0.09 -0.17 2.29 3.04 0.30 0.93 114.94 119.39 1y9j s ASN 112 Ca 0.57 0.83 -0.08 0.00 0.04 0.00 0.00 52.86 54.22 1y9j s ASN 112 Cb -0.15 1.22 -0.04 0.00 -1.54 0.00 0.00 41.25 40.73 1y9j s ASN 112 CO 0.20 -0.24 0.11 -0.36 -3.04 0.00 0.00 177.10 173.77 1y9j s PHE 113 N 2.57 3.43 -0.23 0.43 0.08 -1.20 0.74 117.98 123.80 1y9j s PHE 113 Ca 0.01 0.34 0.18 0.00 0.12 0.00 0.00 56.93 57.58 1y9j s PHE 113 Cb -0.12 -2.06 0.22 0.00 -0.57 0.00 0.00 43.02 40.48 1y9j s PHE 113 CO -0.12 0.41 1.53 0.82 -0.10 0.00 0.00 175.22 177.75 1y9j h ILE 114 N 4.48 0.55 -1.87 0.64 1.08 -1.84 -3.36 117.51 117.20 1y9j h ILE 114 Ca -0.45 -1.74 -0.57 0.00 -0.39 0.00 0.00 64.86 61.71 1y9j h ILE 114 Cb 1.18 2.24 -0.10 0.00 -3.07 0.00 0.00 36.82 37.07 1y9j h ILE 114 CO 0.69 0.31 -0.58 -0.55 -0.69 0.00 0.00 178.15 177.32 1y9j s SER 115 N -6.35 4.33 -0.84 1.72 0.15 -1.26 -1.47 113.70 109.97 1y9j s SER 115 Ca 0.05 -0.96 -0.25 0.00 0.70 0.00 0.00 55.95 55.49 1y9j s SER 115 Cb 0.07 -0.57 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 1y9j s SER 115 CO 0.71 -0.29 1.43 0.00 1.20 0.00 0.00 173.24 176.29 1y9j s ALA 116 N -2.51 2.62 0.71 5.45 0.00 -1.26 -4.74 121.76 122.03 1y9j s ALA 116 Ca 0.36 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1y9j s ALA 116 Cb 0.00 -4.38 0.02 0.00 0.00 0.00 0.00 23.12 18.76 1y9j s ALA 116 CO 0.20 -3.55 1.07 -1.50 0.00 0.00 0.00 175.76 171.98 1y9j s ILE 117 N 6.00 3.91 0.32 0.00 2.07 -1.26 -5.07 121.20 127.16 1y9j s ILE 117 Ca 0.44 0.62 0.08 0.00 -1.41 0.00 0.00 60.65 60.37 1y9j s ILE 117 Cb -0.05 -3.32 -0.03 0.00 0.13 0.00 0.00 42.46 39.18 1y9j s ILE 117 CO 0.06 -0.81 0.21 -0.44 -1.91 0.00 0.00 174.94 172.04 1y9j s SER 118 N -3.73 5.08 0.35 4.50 0.01 -1.26 -4.94 113.70 113.71 1y9j s SER 118 Ca 0.59 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 57.38 1y9j s SER 118 Cb -0.15 -0.96 0.80 0.00 0.21 0.00 0.00 66.02 65.93 1y9j s SER 118 CO 0.55 -0.26 1.85 0.03 0.41 0.00 0.00 173.24 175.82 1y9j h ARG 119 N 1.43 0.69 0.57 12.44 -0.00 -1.97 0.61 114.38 128.14 1y9j h ARG 119 Ca -0.45 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 58.96 1y9j h ARG 119 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 31.07 1y9j h ARG 119 CO 0.60 0.45 -0.31 1.03 0.00 0.00 0.00 179.97 181.74 1y9j h SER 120 N 0.71 -0.77 -0.15 7.04 0.87 -2.00 -0.81 113.55 118.44 1y9j h SER 120 Ca 0.47 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.94 1y9j h SER 120 Cb 0.77 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1y9j h SER 120 CO -0.23 -0.51 -0.37 0.11 -0.53 0.00 0.00 176.83 175.30 1y9j h LYS 121 N -0.83 0.66 -0.15 2.24 1.57 -1.81 -2.82 116.57 115.44 1y9j h LYS 121 Ca -0.07 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1y9j h LYS 121 Cb 0.65 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1y9j h LYS 121 CO 0.10 0.93 0.11 -0.07 -0.57 0.00 0.00 179.45 179.94 1y9j h LEU 122 N 0.55 0.09 -0.10 2.94 3.38 0.35 -1.73 115.31 120.79 1y9j h LEU 122 Ca 0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1y9j h LEU 122 Cb 0.88 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1y9j h LEU 122 CO 0.08 0.06 -0.08 1.05 0.09 0.00 0.00 178.44 179.64 1y9j h GLU 123 N 0.10 0.22 -0.75 1.13 4.11 -0.89 -0.46 114.58 118.04 1y9j h GLU 123 Ca 0.07 -0.11 0.17 0.00 0.07 0.00 0.00 59.36 59.56 1y9j h GLU 123 Cb 0.14 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.27 1y9j h GLU 123 CO -0.01 0.62 0.14 -0.44 0.07 0.00 0.00 179.01 179.39 1y9j h ASP 124 N -0.17 -0.08 -0.03 3.06 5.19 -1.23 1.19 116.42 124.35 1y9j h ASP 124 Ca 0.02 0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.54 1y9j h ASP 124 Cb 0.57 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1y9j h ASP 124 CO 0.02 -0.09 -0.18 0.40 -3.12 0.00 0.00 179.24 176.27 1y9j h ILE 125 N 0.22 1.49 -0.90 0.35 5.03 -1.45 0.64 117.51 122.89 1y9j h ILE 125 Ca 0.43 -1.71 0.10 0.00 -0.12 0.00 0.00 64.86 63.56 1y9j h ILE 125 Cb 0.76 2.52 -0.07 0.00 -3.03 0.00 0.00 36.82 37.00 1y9j h ILE 125 CO -0.56 0.47 0.58 0.00 -0.68 0.00 0.00 178.15 177.96 1y9j h ALA 126 N 0.36 1.65 0.00 1.87 0.00 -0.13 0.74 119.26 123.75 1y9j h ALA 126 Ca -0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1y9j h ALA 126 Cb 0.86 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1y9j h ALA 126 CO 0.04 0.16 -0.95 -0.91 0.00 0.00 0.00 179.25 177.59 1y9j h ASN 127 N 0.87 0.00 -1.02 0.00 2.35 0.14 -3.04 115.58 114.89 1y9j h ASN 127 Ca 0.42 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.45 1y9j h ASN 127 Cb 0.44 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 1y9j h ASN 127 CO -0.19 0.89 0.70 0.00 -1.65 0.00 0.00 177.43 177.19 1y9j h ALA 128 N 1.11 2.65 0.16 -0.83 0.00 0.28 0.16 119.26 122.79 1y9j h ALA 128 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1y9j h ALA 128 Cb 1.70 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1y9j h ALA 128 CO 0.11 -0.98 -1.82 0.00 0.00 0.00 0.00 179.25 176.57 1y9j h ALA 129 N 1.54 0.26 -0.90 0.00 0.00 -1.50 -3.34 119.26 115.32 1y9j h ALA 129 Ca 0.52 -1.23 0.26 0.00 0.00 0.00 0.00 54.91 54.47 1y9j h ALA 129 Cb 1.73 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 20.01 1y9j h ALA 129 CO -0.12 1.13 0.74 -0.07 0.00 0.00 0.00 179.25 180.94 1y9j h LEU 130 N 0.09 0.00 -0.96 0.00 3.38 -0.59 1.61 115.31 118.83 1y9j h LEU 130 Ca -0.36 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1y9j h LEU 130 Cb 2.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 1y9j h LEU 130 CO 0.15 0.00 -0.49 0.00 0.09 0.00 0.00 178.44 178.19 1y9j h ALA 131 N 1.36 1.14 -0.04 1.53 0.00 -1.51 -3.15 119.26 118.59 1y9j h ALA 131 Ca 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y9j h ALA 131 Cb 1.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1y9j h ALA 131 CO -0.00 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1y9j n ALA 132 N -2.45 2.11 -3.61 0.00 0.00 0.33 -4.98 120.51 111.91 1y9j n ALA 132 Ca -0.02 -1.43 -0.26 0.00 0.00 0.00 0.00 53.44 51.73 1y9j n ALA 132 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1y9j n ALA 132 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1y9j n ASN 133 N -0.63 -3.33 -4.76 0.00 6.94 0.46 -4.90 115.26 109.05 1y9j n ASN 133 Ca 0.05 -0.55 -0.40 0.00 -0.02 0.00 0.00 54.58 53.67 1y9j n ASN 133 Cb 0.38 -2.76 -0.06 0.00 -2.36 0.00 0.00 39.78 34.98 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y9j s ALA 134 N -2.98 3.37 -0.60 -2.53 0.00 -0.92 -4.98 121.76 113.13 1y9j s ALA 134 Ca 0.49 0.46 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 1y9j s ALA 134 Cb -0.27 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1y9j s ALA 134 CO 0.61 0.19 1.61 0.08 0.00 0.00 0.00 175.76 178.24 1y9j s VAL 135 N -0.82 3.57 0.30 0.00 1.01 -1.26 -4.70 120.40 118.50 1y9j s VAL 135 Ca 0.39 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1y9j s VAL 135 Cb -0.24 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1y9j s VAL 135 CO 0.28 -1.13 0.10 0.42 0.00 0.00 0.00 175.10 174.77 1y9j s THR 136 N 7.34 3.38 -0.30 3.92 -4.23 -1.26 -1.94 115.64 122.55 1y9j s THR 136 Ca 0.58 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.26 1y9j s THR 136 Cb -0.12 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.88 1y9j s THR 136 CO 0.22 -0.28 0.66 0.00 -0.54 0.00 0.00 174.62 174.68 1y9j s GLN 137 N -3.78 0.56 -0.31 3.99 -2.07 -1.13 -4.95 119.66 111.97 1y9j s GLN 137 Ca 0.35 1.34 -0.19 0.00 -1.82 0.00 0.00 55.36 55.04 1y9j s GLN 137 Cb -0.05 0.80 -0.01 0.00 -1.09 0.00 0.00 33.01 32.66 1y9j s GLN 137 CO 0.22 -0.27 0.56 0.08 -1.32 0.00 0.00 175.29 174.56 1y9j s VAL 138 N 2.87 5.00 0.99 3.63 1.01 -1.26 0.11 120.40 132.75 1y9j s VAL 138 Ca -0.01 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 1y9j s VAL 138 Cb -0.12 -3.95 0.23 0.00 0.00 0.00 0.00 36.38 32.54 1y9j s VAL 138 CO -0.19 -0.13 1.35 0.00 0.00 0.00 0.00 175.10 176.13 1y9j s ALA 139 N 2.46 2.19 0.63 5.51 0.00 0.26 -4.96 121.76 127.86 1y9j s ALA 139 Ca 0.22 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 1y9j s ALA 139 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1y9j s ALA 139 CO 0.12 -2.59 1.04 0.15 0.00 0.00 0.00 175.76 174.48 1y9j s LYS 140 N -5.94 3.32 -0.05 0.00 1.02 -1.26 -4.45 119.74 112.38 1y9j s LYS 140 Ca 0.77 0.93 -0.06 0.00 0.02 0.00 0.00 55.97 57.63 1y9j s LYS 140 Cb -0.02 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1y9j s LYS 140 CO 0.54 -0.79 0.19 0.08 -0.92 0.00 0.00 175.35 174.44 1y9j s VAL 141 N -2.95 5.43 -0.11 3.17 1.01 -1.26 -4.51 120.40 121.17 1y9j s VAL 141 Ca 0.58 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1y9j s VAL 141 Cb -0.13 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1y9j s VAL 141 CO 0.49 0.46 -0.11 2.22 0.00 0.00 0.00 175.10 178.16 1y9j n PHE 142 N 1.43 0.00 0.69 5.22 -1.74 -1.26 -4.57 117.46 117.23 1y9j n PHE 142 Ca -0.15 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 56.83 1y9j n PHE 142 Cb 0.54 -0.44 0.40 0.00 1.52 0.00 0.00 39.48 41.50 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 -2.94 0.00 0.34 5.98 9.92 -1.16 -3.23 116.55 125.45 1y9j n ASP 143 Ca -0.21 0.32 0.20 0.00 -0.53 0.00 0.00 54.79 54.57 1y9j n ASP 143 Cb 0.71 -0.42 1.06 0.00 -0.64 0.00 0.00 41.12 41.83 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 -0.00 -1.50 -2.31 115.11 110.06 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 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1y9j h GLN 144 CO 0.00 0.00 -1.20 0.98 -0.00 0.00 0.00 178.83 178.61 1y9j n TYR 145 N -3.01 0.00 -4.03 0.06 4.19 -1.20 -4.86 117.16 108.32 1y9j n TYR 145 Ca -0.03 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.17 1y9j n TYR 145 Cb 0.20 -0.10 -0.00 0.00 0.49 0.00 0.00 39.34 39.92 1y9j n TYR 145 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1y9j n LEU 146 N -1.68 0.00 0.00 2.98 -0.00 -0.87 -5.21 117.00 112.22 1y9j n LEU 146 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1y9j n LEU 146 Cb 0.14 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1y9j n LEU 146 CO 0.09 -0.03 0.00 -3.20 -0.00 0.00 0.00 177.39 174.25