#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 1.00 0.86 0.00 4.64 -2.06 -1.52 113.55 116.46 1y9j h SER 9 Ca 0.00 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1y9j h SER 9 Cb 0.00 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1y9j h SER 9 CO 0.00 0.79 -0.41 0.40 -0.87 0.00 0.00 176.83 176.74 1y9j h ILE 10 N 1.13 0.00 -0.93 0.95 5.03 -2.01 -2.49 117.51 119.20 1y9j h ILE 10 Ca 0.29 -0.16 0.24 0.00 -0.12 0.00 0.00 64.86 65.12 1y9j h ILE 10 Cb -0.01 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 33.72 1y9j h ILE 10 CO -0.05 0.00 0.64 -0.09 -0.68 0.00 0.00 178.15 177.97 1y9j h ARG 11 N -1.31 0.19 0.29 2.37 9.65 -1.97 -0.44 114.38 123.17 1y9j h ARG 11 Ca -0.12 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1y9j h ARG 11 Cb 0.88 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 1y9j h ARG 11 CO 0.19 0.12 -0.14 0.93 2.80 0.00 0.00 179.97 183.88 1y9j h GLU 12 N 0.19 -0.38 -1.07 0.20 4.39 -1.04 -2.50 114.58 114.36 1y9j h GLU 12 Ca 0.47 0.03 0.29 0.00 0.34 0.00 0.00 59.36 60.48 1y9j h GLU 12 Cb 1.51 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 30.16 1y9j h GLU 12 CO -0.10 -0.18 0.71 0.00 -1.16 0.00 0.00 179.01 178.27 1y9j h ARG 13 N -0.50 0.29 0.05 2.33 3.08 -0.63 0.14 114.38 119.15 1y9j h ARG 13 Ca -0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1y9j h ARG 13 Cb 0.37 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1y9j h ARG 13 CO 0.07 0.19 -0.10 1.96 -1.07 0.00 0.00 179.97 181.02 1y9j h GLN 14 N 0.30 -0.20 0.00 0.04 4.20 -1.25 -1.88 115.11 116.32 1y9j h GLN 14 Ca 0.60 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 59.27 1y9j h GLN 14 Cb 1.69 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 1y9j h GLN 14 CO -0.25 -0.13 -0.24 1.79 -0.67 0.00 0.00 178.83 179.32 1y9j h THR 15 N -0.21 0.81 0.02 -0.54 1.35 -0.69 -2.84 112.91 110.82 1y9j h THR 15 Ca 0.02 -0.97 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1y9j h THR 15 Cb 0.23 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 1y9j h THR 15 CO -0.07 0.24 -0.18 0.58 -0.25 0.00 0.00 175.52 175.84 1y9j h VAL 16 N 0.00 0.57 -0.01 6.82 2.07 -0.31 1.08 116.25 126.47 1y9j h VAL 16 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1y9j h VAL 16 Cb 0.57 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1y9j h VAL 16 CO 0.03 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.18 1y9j h ALA 17 N 0.59 1.25 0.16 1.67 0.00 -1.43 -2.68 119.26 118.82 1y9j h ALA 17 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1y9j h ALA 17 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1y9j h ALA 17 CO -0.16 0.56 -0.08 -0.07 0.00 0.00 0.00 179.25 179.51 1y9j h LEU 18 N 0.01 -0.18 -1.40 0.00 3.38 -1.10 -3.02 115.31 112.99 1y9j h LEU 18 Ca -0.00 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.29 1y9j h LEU 18 Cb 0.79 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1y9j h LEU 18 CO 0.06 0.05 0.73 0.11 0.09 0.00 0.00 178.44 179.48 1y9j h LYS 19 N -0.59 0.28 0.40 1.13 1.57 0.11 0.80 116.57 120.27 1y9j h LYS 19 Ca -0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1y9j h LYS 19 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1y9j h LYS 19 CO 0.04 0.18 -0.19 -0.09 -0.57 0.00 0.00 179.45 178.82 1y9j h ARG 20 N 0.29 -0.51 0.00 3.15 2.43 -1.56 0.89 114.38 119.06 1y9j h ARG 20 Ca 0.66 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.86 1y9j h ARG 20 Cb 1.84 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1y9j h ARG 20 CO -0.32 -0.30 -0.03 0.00 -1.51 0.00 0.00 179.97 177.80 1y9j n MET 21 N -5.29 0.06 0.00 0.20 0.00 -0.02 -0.30 117.12 111.77 1y9j n MET 21 Ca -0.11 0.05 0.11 0.00 0.00 0.00 0.00 57.70 57.75 1y9j n MET 21 Cb 0.25 -1.57 0.03 0.00 0.00 0.00 0.00 33.22 31.93 1y9j n MET 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1y9j n LEU 22 N -1.67 1.50 0.00 3.17 4.77 0.26 -4.63 117.00 120.39 1y9j n LEU 22 Ca 0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1y9j n LEU 22 Cb 0.36 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1y9j n LEU 22 CO 0.28 0.30 -0.24 0.59 -1.33 0.00 0.00 177.39 176.99 1y9j n ASN 23 N -0.62 1.05 -4.53 -1.43 3.02 0.28 -4.80 115.26 108.23 1y9j n ASN 23 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1y9j n ASN 23 Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1y9j n ASN 23 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1y9j s PHE 24 N -1.71 2.44 0.13 3.10 -0.12 0.59 -5.00 117.98 117.41 1y9j s PHE 24 Ca 0.00 -0.11 -0.23 0.00 -0.05 0.00 0.00 56.93 56.53 1y9j s PHE 24 Cb 0.00 -4.50 -0.07 0.00 -0.63 0.00 0.00 43.02 37.81 1y9j s PHE 24 CO 0.00 -1.88 0.71 0.54 -0.05 0.00 0.00 175.22 174.54 1y9j s ASN 25 N 3.58 7.28 0.55 1.98 4.22 -1.26 -4.61 114.94 126.68 1y9j s ASN 25 Ca 0.33 1.52 -0.19 0.00 -2.14 0.00 0.00 52.86 52.38 1y9j s ASN 25 Cb -0.10 -2.45 -0.05 0.00 1.28 0.00 0.00 41.25 39.92 1y9j s ASN 25 CO 0.15 0.22 1.09 0.68 -2.04 0.00 0.00 177.10 177.20 1y9j s VAL 26 N -1.06 3.44 0.06 3.54 -7.23 -1.26 -4.95 120.40 112.94 1y9j s VAL 26 Ca 0.34 0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 61.04 1y9j s VAL 26 Cb -0.22 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.31 1y9j s VAL 26 CO 0.24 -0.26 1.88 -2.16 -0.31 0.00 0.00 175.10 174.49 1y9j s PRO 27 N -3.49 4.15 0.43 4.82 0.04 -1.26 -5.00 135.00 134.69 1y9j s PRO 27 Ca 0.69 2.56 0.05 0.00 0.04 0.00 0.00 61.00 64.35 1y9j s PRO 27 Cb -0.20 -3.92 -0.06 0.00 0.04 0.00 0.00 34.50 30.36 1y9j s PRO 27 CO 0.28 -0.90 0.02 -1.58 0.04 0.00 0.00 177.00 174.86 1y9j s HIS 28 N 3.73 2.27 -0.49 0.56 2.46 -1.26 -5.07 115.29 117.49 1y9j s HIS 28 Ca 0.84 -0.79 -0.27 0.00 0.47 0.00 0.00 55.06 55.30 1y9j s HIS 28 Cb -0.43 -1.67 -0.02 0.00 -0.13 0.00 0.00 32.58 30.33 1y9j s HIS 28 CO 0.38 0.33 1.86 0.08 -2.47 0.00 0.00 174.74 174.92 1y9j s VAL 29 N -2.83 3.40 -0.46 0.89 1.01 -1.26 -4.94 120.40 116.21 1y9j s VAL 29 Ca 0.27 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1y9j s VAL 29 Cb 0.07 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1y9j s VAL 29 CO 0.14 -0.65 1.14 -0.54 0.00 0.00 0.00 175.10 175.18 1y9j s LYS 30 N 6.52 3.76 -0.03 2.72 1.02 -1.26 -4.93 119.74 127.55 1y9j s LYS 30 Ca 0.74 0.64 -0.07 0.00 0.02 0.00 0.00 55.97 57.29 1y9j s LYS 30 Cb -0.17 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 1y9j s LYS 30 CO 0.26 -1.33 0.42 -0.97 -0.92 0.00 0.00 175.35 172.82 1y9j h ASN 31 N 9.11 -0.23 -4.08 2.83 -0.73 -2.00 -3.47 115.58 117.01 1y9j h ASN 31 Ca -0.23 0.01 -0.61 0.00 1.87 0.00 0.00 56.30 57.34 1y9j h ASN 31 Cb 1.06 0.06 -0.22 0.00 0.27 0.00 0.00 38.32 39.49 1y9j h ASN 31 CO 1.12 0.06 -0.84 -0.44 -0.37 0.00 0.00 177.43 176.95 1y9j s SER 32 N -4.19 2.83 0.31 1.15 0.01 -1.26 -5.13 113.70 107.42 1y9j s SER 32 Ca -0.04 -0.71 -0.29 0.00 1.31 0.00 0.00 55.95 56.23 1y9j s SER 32 Cb 0.00 -0.17 -0.10 0.00 0.21 0.00 0.00 66.02 65.97 1y9j s SER 32 CO 0.12 0.10 1.16 -2.16 0.41 0.00 0.00 173.24 172.87 1y9j s PRO 33 N -1.96 4.49 0.00 12.44 0.04 -1.26 -3.71 135.00 145.05 1y9j s PRO 33 Ca 0.09 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1y9j s PRO 33 Cb -0.10 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1y9j s PRO 33 CO 0.05 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1y9j n GLY 34 N 1.00 0.88 3.55 0.56 0.00 -1.26 -5.08 105.19 104.85 1y9j n GLY 34 Ca -0.00 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.01 2.78 0.37 1.61 2.02 -1.24 -5.11 118.70 116.12 1y9j s GLU 35 Ca 0.00 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.15 1y9j s GLU 35 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 1y9j s GLU 35 CO 0.00 0.61 1.10 -1.25 0.02 0.00 0.00 175.26 175.75 1y9j s PRO 36 N -0.68 4.26 -0.61 0.39 0.04 -1.26 -5.00 135.00 132.14 1y9j s PRO 36 Ca 0.10 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 1y9j s PRO 36 Cb -0.11 -2.77 0.13 0.00 0.04 0.00 0.00 34.50 31.79 1y9j s PRO 36 CO 0.02 -0.10 0.63 0.08 0.04 0.00 0.00 177.00 177.67 1y9j s VAL 37 N -1.43 5.08 0.56 -0.36 1.01 -1.26 -5.05 120.40 118.95 1y9j s VAL 37 Ca 0.54 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1y9j s VAL 37 Cb -0.28 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 1y9j s VAL 37 CO 0.35 -1.01 1.04 0.26 0.00 0.00 0.00 175.10 175.73 1y9j s TRP 38 N 1.92 3.11 -0.00 5.22 0.52 -1.26 -4.92 118.94 123.53 1y9j s TRP 38 Ca 0.09 1.50 -0.02 0.00 0.02 0.00 0.00 56.10 57.70 1y9j s TRP 38 Cb -0.25 -2.96 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 1y9j s TRP 38 CO 0.03 -0.90 0.03 0.15 0.02 0.00 0.00 176.95 176.28 1y9j s LYS 39 N -4.01 0.20 0.25 4.98 1.02 0.21 -4.35 119.74 118.04 1y9j s LYS 39 Ca 0.63 -0.25 0.07 0.00 0.02 0.00 0.00 55.97 56.43 1y9j s LYS 39 Cb -0.14 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1y9j s LYS 39 CO 0.34 -0.04 0.20 0.08 -0.92 0.00 0.00 175.35 175.02 1y9j s VAL 40 N -0.71 4.51 -0.05 3.17 1.01 -0.07 -0.60 120.40 127.66 1y9j s VAL 40 Ca -0.08 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1y9j s VAL 40 Cb -0.05 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1y9j s VAL 40 CO -0.00 -0.33 0.12 -0.22 0.00 0.00 0.00 175.10 174.66 1y9j s LEU 41 N -3.81 1.47 -0.24 3.92 2.96 -0.45 0.14 118.68 122.68 1y9j s LEU 41 Ca 0.33 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1y9j s LEU 41 Cb -0.08 0.39 0.06 0.00 0.50 0.00 0.00 46.19 47.07 1y9j s LEU 41 CO 0.25 -0.05 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.57 1y9j s ILE 42 N 0.18 1.33 0.28 6.68 -1.09 1.01 -2.49 121.20 127.10 1y9j s ILE 42 Ca -0.01 -1.15 0.11 0.00 -2.23 0.00 0.00 60.65 57.37 1y9j s ILE 42 Cb -0.02 -1.68 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 1y9j s ILE 42 CO -0.00 -0.17 -0.12 -0.72 -1.23 0.00 0.00 174.94 172.70 1y9j s TYR 43 N 1.48 2.45 0.00 3.97 -0.85 -1.13 -0.56 117.35 122.71 1y9j s TYR 43 Ca -0.04 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 1y9j s TYR 43 Cb -0.18 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.07 1y9j s TYR 43 CO -0.08 0.67 0.00 -3.47 -1.52 0.00 0.00 175.55 171.16 1y9j n ASP 44 N -0.74 0.85 -0.34 -0.18 -0.08 -1.24 -3.11 116.55 111.71 1y9j n ASP 44 Ca -0.06 -0.93 0.15 0.00 -1.51 0.00 0.00 54.79 52.45 1y9j n ASP 44 Cb 0.60 0.00 0.36 0.00 2.34 0.00 0.00 41.12 44.42 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1y9j h ARG 45 N 0.00 0.67 0.00 -0.67 -0.00 -2.00 -0.92 114.38 111.46 1y9j h ARG 45 Ca 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 59.90 1y9j h ARG 45 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 29.81 1y9j h ARG 45 CO 0.00 0.44 -0.23 0.74 -0.00 0.00 0.00 179.97 180.92 1y9j h PHE 46 N 0.69 0.00 -1.21 4.08 -1.00 -1.95 -2.88 116.94 114.66 1y9j h PHE 46 Ca 0.58 0.00 0.35 0.00 2.81 0.00 0.00 57.97 61.71 1y9j h PHE 46 Cb 1.00 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.52 1y9j h PHE 46 CO -0.00 1.08 1.03 0.78 -1.61 0.00 0.00 178.31 179.59 1y9j h GLY 47 N -1.00 0.00 1.01 -1.45 0.00 -1.59 1.63 103.07 101.67 1y9j h GLY 47 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.95 1y9j h GLY 47 CO -0.04 0.00 -1.70 0.06 0.00 0.00 0.00 176.54 174.87 1y9j h GLN 48 N 0.00 0.19 0.00 4.80 3.07 -1.28 -1.70 115.11 120.20 1y9j h GLN 48 Ca 0.58 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.98 1y9j h GLN 48 Cb 2.62 0.12 0.00 0.00 0.08 0.00 0.00 27.48 30.31 1y9j h GLN 48 CO -0.01 1.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.66 1y9j n ASP 49 N -3.37 0.15 -0.01 0.06 9.92 0.54 -1.65 116.55 122.20 1y9j n ASP 49 Ca -0.21 0.56 -0.01 0.00 -0.53 0.00 0.00 54.79 54.60 1y9j n ASP 49 Cb 1.05 -0.58 -0.01 0.00 -0.64 0.00 0.00 41.12 40.93 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1y9j n ILE 50 N -1.69 0.09 -0.06 0.53 -0.00 -0.41 -4.56 119.36 113.27 1y9j n ILE 50 Ca 0.01 -0.05 -0.13 0.00 -0.00 0.00 0.00 62.75 62.58 1y9j n ILE 50 Cb 0.06 -0.74 -0.07 0.00 -0.00 0.00 0.00 39.64 38.90 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 1.34 0.69 1.39 2.04 -1.17 -3.27 117.51 118.53 1y9j h ILE 51 Ca -0.04 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 1y9j h ILE 51 Cb 1.07 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1y9j h ILE 51 CO -0.00 0.42 -0.34 -1.28 0.00 0.00 0.00 178.15 176.95 1y9j h SER 52 N 0.10 -0.82 -0.62 1.72 0.87 -1.43 0.92 113.55 114.29 1y9j h SER 52 Ca 0.02 0.03 0.18 0.00 -1.23 0.00 0.00 61.79 60.79 1y9j h SER 52 Cb 0.76 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 1y9j h SER 52 CO 0.05 -0.57 0.73 1.55 -0.53 0.00 0.00 176.83 178.05 1y9j h PRO 53 N -0.94 0.00 0.00 2.24 0.13 -1.77 0.29 132.00 131.96 1y9j h PRO 53 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1y9j h PRO 53 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1y9j h PRO 53 CO 0.14 0.00 -0.02 1.28 -0.23 0.00 0.00 178.00 179.17 1y9j n LEU 54 N -3.49 1.80 -3.45 1.56 4.77 -1.03 -5.06 117.00 112.10 1y9j n LEU 54 Ca 0.13 -2.04 -0.12 0.00 -0.03 0.00 0.00 56.01 53.95 1y9j n LEU 54 Cb 0.94 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.90 1y9j n LEU 54 CO 0.25 0.49 0.49 -0.22 -1.33 0.00 0.00 177.39 177.07 1y9j s LEU 55 N -1.34 -0.52 0.40 2.23 0.20 0.31 -5.03 118.68 114.93 1y9j s LEU 55 Ca 0.08 0.07 0.04 0.00 0.69 0.00 0.00 54.13 55.01 1y9j s LEU 55 Cb 0.07 2.43 -0.03 0.00 -0.43 0.00 0.00 46.19 48.24 1y9j s LEU 55 CO 0.01 -0.84 0.13 -0.44 -0.29 0.00 0.00 176.35 174.92 1y9j s SER 56 N -2.52 2.67 0.01 3.68 0.01 -1.26 -3.92 113.70 112.37 1y9j s SER 56 Ca 0.01 -1.66 -0.24 0.00 1.31 0.00 0.00 55.95 55.37 1y9j s SER 56 Cb -0.01 0.48 -0.18 0.00 0.21 0.00 0.00 66.02 66.52 1y9j s SER 56 CO -0.10 -0.92 1.36 0.58 0.41 0.00 0.00 173.24 174.57 1y9j h VAL 57 N 1.84 1.32 -0.28 3.43 2.07 -1.98 -0.68 116.25 121.96 1y9j h VAL 57 Ca -0.35 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1y9j h VAL 57 Cb 1.27 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1y9j h VAL 57 CO 0.56 0.27 -0.03 0.11 0.02 0.00 0.00 177.57 178.50 1y9j h LYS 58 N -0.29 0.44 0.00 1.57 6.56 -2.00 -1.59 116.57 121.27 1y9j h LYS 58 Ca 0.01 -0.09 -0.13 0.00 -1.06 0.00 0.00 60.65 59.37 1y9j h LYS 58 Cb 0.44 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1y9j h LYS 58 CO 0.01 0.49 -0.64 0.93 -2.06 0.00 0.00 179.45 178.18 1y9j h GLU 59 N 0.42 0.00 0.18 3.15 4.39 -1.96 -1.58 114.58 119.18 1y9j h GLU 59 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1y9j h GLU 59 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1y9j h GLU 59 CO 0.01 0.64 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.34 1y9j h LEU 60 N 0.00 -0.20 -0.79 1.33 3.38 -0.14 0.19 115.31 119.09 1y9j h LEU 60 Ca -0.01 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1y9j h LEU 60 Cb 1.28 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1y9j h LEU 60 CO 0.08 -0.09 -0.35 0.03 0.09 0.00 0.00 178.44 178.21 1y9j h ARG 61 N -0.30 0.00 0.00 1.13 2.47 -1.46 -2.58 114.38 113.64 1y9j h ARG 61 Ca -0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 1y9j h ARG 61 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1y9j h ARG 61 CO 0.04 0.35 -0.38 -0.44 0.56 0.00 0.00 179.97 180.10 1y9j h ASP 62 N 0.00 0.00 1.88 7.04 3.32 -0.93 -3.11 116.42 124.63 1y9j h ASP 62 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1y9j h ASP 62 Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1y9j h ASP 62 CO 0.05 0.38 -0.01 0.24 -1.72 0.00 0.00 179.24 178.17 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 -0.46 -3.47 114.93 117.42 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 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1y9j h MET 63 CO 0.05 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.44 1y9j n GLY 64 N 0.98 1.54 3.69 8.32 0.00 -1.17 -4.88 105.19 113.67 1y9j n GLY 64 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 5.38 -0.71 -0.61 2.07 -0.99 -0.62 121.20 123.73 1y9j s ILE 65 Ca 0.00 0.19 0.24 0.00 -1.41 0.00 0.00 60.65 59.66 1y9j s ILE 65 Cb 0.00 -3.49 -0.06 0.00 0.13 0.00 0.00 42.46 39.05 1y9j s ILE 65 CO 0.00 0.38 1.17 1.07 -1.91 0.00 0.00 174.94 175.65 1y9j n THR 66 N 3.97 0.18 -3.65 4.00 5.66 0.23 -4.50 114.28 120.16 1y9j n THR 66 Ca -0.15 -0.19 -0.04 0.00 -3.05 0.00 0.00 64.05 60.61 1y9j n THR 66 Cb 0.52 0.17 -0.07 0.00 -1.55 0.00 0.00 70.33 69.40 1y9j n THR 66 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1y9j s LEU 67 N -3.79 -0.18 -0.06 1.09 1.98 -1.25 -5.02 118.68 111.45 1y9j s LEU 67 Ca 0.06 0.34 -0.03 0.00 -2.89 0.00 0.00 54.13 51.61 1y9j s LEU 67 Cb 0.15 1.33 0.04 0.00 0.66 0.00 0.00 46.19 48.37 1y9j s LEU 67 CO 0.77 -0.06 0.10 -1.38 -1.89 0.00 0.00 176.35 173.89 1y9j s HIS 68 N 0.30 -0.04 0.20 5.38 -3.43 -1.26 -1.34 115.29 115.11 1y9j s HIS 68 Ca 0.03 0.40 -0.07 0.00 -0.80 0.00 0.00 55.06 54.62 1y9j s HIS 68 Cb -0.05 -0.39 -0.02 0.00 -1.43 0.00 0.00 32.58 30.69 1y9j s HIS 68 CO -0.13 -0.22 0.28 -0.48 -2.00 0.00 0.00 174.74 172.19 1y9j s LEU 69 N 2.22 0.89 0.02 5.38 -0.00 -1.04 -5.02 118.68 121.14 1y9j s LEU 69 Ca 0.04 -1.08 -0.24 0.00 -0.00 0.00 0.00 54.13 52.86 1y9j s LEU 69 Cb -0.12 1.04 -0.05 0.00 -0.00 0.00 0.00 46.19 47.05 1y9j s LEU 69 CO -0.04 -0.94 0.71 -0.76 -0.00 0.00 0.00 176.35 175.33 1y9j s LEU 70 N -3.05 4.43 0.60 1.48 1.43 -1.26 -2.85 118.68 119.46 1y9j s LEU 70 Ca 0.26 1.35 0.29 0.00 -1.03 0.00 0.00 54.13 55.00 1y9j s LEU 70 Cb 0.04 -3.14 1.42 0.00 0.03 0.00 0.00 46.19 44.54 1y9j s LEU 70 CO 0.07 0.03 1.83 -0.07 0.23 0.00 0.00 176.35 178.44 1y9j h LEU 71 N 5.73 0.00 -3.71 1.79 4.07 -1.89 0.40 115.31 121.70 1y9j h LEU 71 Ca -0.44 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.03 1y9j h LEU 71 Cb 1.20 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.72 1y9j h LEU 71 CO 0.71 0.00 0.63 1.57 -1.08 0.00 0.00 178.44 180.27 1y9j n HIS 72 N -3.61 2.40 -3.87 1.13 -0.00 -1.26 -4.90 115.22 105.11 1y9j n HIS 72 Ca 0.09 -2.37 -0.09 0.00 0.46 0.00 0.00 57.72 55.81 1y9j n HIS 72 Cb 0.75 -1.15 -0.06 0.00 -0.12 0.00 0.00 29.99 29.41 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1y9j s SER 73 N -0.84 -0.03 -0.48 0.26 0.01 0.14 -5.09 113.70 107.67 1y9j s SER 73 Ca 0.48 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.76 1y9j s SER 73 Cb 0.38 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 67.01 1y9j s SER 73 CO 0.01 -0.90 2.17 -1.81 0.41 0.00 0.00 173.24 173.12 1y9j s ASP 74 N -2.92 4.92 0.79 2.44 1.11 -1.26 -4.85 116.67 116.90 1y9j s ASP 74 Ca 0.13 0.97 -0.11 0.00 0.18 0.00 0.00 52.55 53.72 1y9j s ASP 74 Cb 0.02 -2.51 0.07 0.00 1.07 0.00 0.00 42.92 41.57 1y9j s ASP 74 CO -0.03 -2.53 1.09 -0.60 1.18 0.00 0.00 175.17 174.28 1y9j s ARG 75 N 7.47 2.09 -0.07 8.23 3.52 -1.26 -5.01 118.95 133.93 1y9j s ARG 75 Ca 0.87 1.11 -0.02 0.00 -0.13 0.00 0.00 55.73 57.57 1y9j s ARG 75 Cb -0.18 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1y9j s ARG 75 CO 0.26 -1.74 0.04 0.34 -0.81 0.00 0.00 175.30 173.39 1y9j s ASP 76 N -3.40 5.49 -0.45 -2.12 2.15 -1.26 -5.08 116.67 112.00 1y9j s ASP 76 Ca 0.61 0.18 -0.25 0.00 0.43 0.00 0.00 52.55 53.52 1y9j s ASP 76 Cb -0.17 -1.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.89 1y9j s ASP 76 CO 0.56 0.35 0.91 -2.16 -0.17 0.00 0.00 175.17 174.67 1y9j s PRO 77 N -1.15 3.54 -0.39 4.34 0.04 -1.26 -4.73 135.00 135.38 1y9j s PRO 77 Ca 0.16 0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.45 1y9j s PRO 77 Cb -0.12 -3.92 0.28 0.00 0.04 0.00 0.00 34.50 30.78 1y9j s PRO 77 CO 0.06 -1.20 0.59 -0.89 0.04 0.00 0.00 177.00 175.59 1y9j n ILE 78 N 6.37 -0.45 0.29 0.56 -0.00 0.50 -4.93 119.36 121.71 1y9j n ILE 78 Ca 0.06 -4.21 0.15 0.00 -0.00 0.00 0.00 62.75 58.75 1y9j n ILE 78 Cb 0.48 -1.50 0.70 0.00 -0.00 0.00 0.00 39.64 39.32 1y9j n ILE 78 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1y9j h ARG 79 N 3.73 0.00 -0.70 0.38 3.08 -1.16 -2.14 114.38 117.57 1y9j h ARG 79 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1y9j h ARG 79 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1y9j h ARG 79 CO 0.48 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.13 1y9j n ASP 80 N -2.58 3.58 -3.77 7.04 9.92 -1.26 -2.91 116.55 126.57 1y9j n ASP 80 Ca -0.00 -2.46 -0.13 0.00 -0.53 0.00 0.00 54.79 51.67 1y9j n ASP 80 Cb 0.16 -0.56 -0.11 0.00 -0.64 0.00 0.00 41.12 39.97 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1y9j s VAL 81 N -1.94 -0.01 0.13 2.53 1.01 -0.81 -4.98 120.40 116.33 1y9j s VAL 81 Ca 0.32 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1y9j s VAL 81 Cb 0.23 -0.41 -0.09 0.00 0.00 0.00 0.00 36.38 36.12 1y9j s VAL 81 CO 0.11 0.01 1.47 -2.16 0.00 0.00 0.00 175.10 174.53 1y9j s PRO 82 N 0.33 4.28 0.27 2.72 0.04 -1.26 -2.37 135.00 139.00 1y9j s PRO 82 Ca -0.01 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.29 1y9j s PRO 82 Cb -0.03 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1y9j s PRO 82 CO -0.01 -0.51 0.14 0.00 0.04 0.00 0.00 177.00 176.66 1y9j s ALA 83 N 1.20 3.48 -0.02 8.56 0.00 -1.08 -0.90 121.76 133.01 1y9j s ALA 83 Ca 0.67 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1y9j s ALA 83 Cb -0.39 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 1y9j s ALA 83 CO 0.31 0.22 -0.19 0.08 0.00 0.00 0.00 175.76 176.18 1y9j s VAL 84 N -2.22 1.50 -0.54 0.00 1.01 0.38 0.58 120.40 121.11 1y9j s VAL 84 Ca 0.33 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1y9j s VAL 84 Cb -0.07 -1.25 0.23 0.00 0.00 0.00 0.00 36.38 35.29 1y9j s VAL 84 CO 0.23 0.43 0.60 -1.22 0.00 0.00 0.00 175.10 175.14 1y9j n TYR 85 N 2.62 1.75 -2.76 5.22 4.02 0.43 0.33 117.16 128.77 1y9j n TYR 85 Ca -0.15 -3.88 -0.43 0.00 -0.01 0.00 0.00 57.90 53.43 1y9j n TYR 85 Cb 0.53 -0.41 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.65 2.90 0.35 -0.72 5.36 0.28 -0.71 117.98 123.79 1y9j s PHE 86 Ca 0.36 -1.24 0.04 0.00 -0.96 0.00 0.00 56.93 55.12 1y9j s PHE 86 Cb 0.12 -4.48 -0.03 0.00 -0.34 0.00 0.00 43.02 38.29 1y9j s PHE 86 CO -0.08 -1.68 0.14 0.14 -1.46 0.00 0.00 175.22 172.28 1y9j s VAL 87 N 3.59 0.52 0.49 3.12 -7.23 0.25 -3.72 120.40 117.42 1y9j s VAL 87 Ca 0.40 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 1y9j s VAL 87 Cb -0.02 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 1y9j s VAL 87 CO -0.08 0.00 1.24 -0.04 -0.31 0.00 0.00 175.10 175.91 1y9j s MET 88 N -3.75 3.54 -0.37 4.82 -1.94 -1.26 -2.86 119.30 117.48 1y9j s MET 88 Ca 0.31 1.96 -0.03 0.00 -1.71 0.00 0.00 55.69 56.22 1y9j s MET 88 Cb 0.04 -2.37 0.11 0.00 2.01 0.00 0.00 34.83 34.62 1y9j s MET 88 CO 0.17 -0.78 2.48 -0.35 -0.01 0.00 0.00 175.02 176.52 1y9j n PRO 89 N -0.65 2.11 -3.58 2.03 -0.04 -1.26 -4.60 135.00 129.01 1y9j n PRO 89 Ca 0.08 -1.93 -0.24 0.00 -0.04 0.00 0.00 63.50 61.37 1y9j n PRO 89 Cb 0.47 -1.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 1y9j n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y9j s THR 90 N -2.11 5.16 0.24 0.52 -4.23 -1.26 -4.87 115.64 109.08 1y9j s THR 90 Ca 0.47 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.37 1y9j s THR 90 Cb 0.32 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.59 1y9j s THR 90 CO -0.11 -0.41 1.64 -0.33 -0.54 0.00 0.00 174.62 174.88 1y9j h GLU 91 N 1.19 0.11 -0.81 3.99 5.08 -1.99 0.26 114.58 122.40 1y9j h GLU 91 Ca -0.50 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1y9j h GLU 91 Cb 1.21 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1y9j h GLU 91 CO 0.63 0.07 0.51 1.05 -1.00 0.00 0.00 179.01 180.27 1y9j h GLU 92 N 0.11 0.93 -0.49 2.33 4.11 -1.95 -1.86 114.58 117.75 1y9j h GLU 92 Ca 0.39 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.71 1y9j h GLU 92 Cb 0.67 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1y9j h GLU 92 CO -0.62 0.62 0.11 -0.91 0.07 0.00 0.00 179.01 178.27 1y9j h ASN 93 N 0.96 0.76 -0.45 3.06 2.35 -0.87 -2.30 115.58 119.09 1y9j h ASN 93 Ca 0.34 -0.24 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 1y9j h ASN 93 Cb 0.09 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1y9j h ASN 93 CO -0.14 0.80 0.31 0.40 -1.65 0.00 0.00 177.43 177.15 1y9j h ILE 94 N 0.68 0.90 -0.08 2.81 1.08 -0.18 0.10 117.51 122.82 1y9j h ILE 94 Ca 0.15 -0.09 -0.16 0.00 -0.39 0.00 0.00 64.86 64.37 1y9j h ILE 94 Cb 0.35 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1y9j h ILE 94 CO 0.00 0.05 -0.67 0.44 -0.69 0.00 0.00 178.15 177.28 1y9j h ASP 95 N 0.25 0.37 0.53 1.72 3.32 -0.82 -2.97 116.42 118.82 1y9j h ASP 95 Ca 0.21 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 1y9j h ASP 95 Cb 0.50 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1y9j h ASP 95 CO -0.04 0.93 -0.65 0.03 -1.72 0.00 0.00 179.24 177.79 1y9j h ARG 96 N 0.23 0.10 -0.71 3.56 -0.00 -0.44 -1.82 114.38 115.30 1y9j h ARG 96 Ca -0.02 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.98 59.32 1y9j h ARG 96 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 31.17 1y9j h ARG 96 CO 0.11 0.71 0.19 -0.07 0.00 0.00 0.00 179.97 180.92 1y9j h LEU 97 N 0.07 1.06 -0.37 3.04 -0.00 -1.00 0.50 115.31 118.62 1y9j h LEU 97 Ca -0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.63 1y9j h LEU 97 Cb 1.16 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1y9j h LEU 97 CO 0.09 1.00 -0.12 0.00 -0.00 0.00 0.00 178.44 179.41 1y9j h GLN 99 N 0.00 0.30 0.00 0.00 4.15 -0.59 -2.75 115.11 116.21 1y9j h GLN 99 Ca -0.00 -0.50 -0.16 0.00 0.77 0.00 0.00 58.65 58.76 1y9j h GLN 99 Cb 0.96 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1y9j h GLN 99 CO 0.02 1.24 -0.75 0.38 -1.93 0.00 0.00 178.83 177.79 1y9j h ASP 100 N -0.24 0.00 0.67 -0.69 3.04 -0.06 -2.24 116.42 116.90 1y9j h ASP 100 Ca -0.27 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.34 1y9j h ASP 100 Cb 1.80 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 40.07 1y9j h ASP 100 CO 0.11 0.75 -0.81 -0.07 -2.04 0.00 0.00 179.24 177.17 1y9j h LEU 101 N 0.00 0.13 0.12 0.15 3.38 -1.22 -2.80 115.31 115.07 1y9j h LEU 101 Ca -0.01 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.56 1y9j h LEU 101 Cb 1.40 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 42.14 1y9j h LEU 101 CO 0.10 0.88 -1.25 0.03 0.09 0.00 0.00 178.44 178.30 1y9j h ARG 102 N 0.06 0.63 0.00 1.13 3.08 -1.46 -3.24 114.38 114.58 1y9j h ARG 102 Ca -0.02 -0.84 -0.05 0.00 0.07 0.00 0.00 59.98 59.14 1y9j h ARG 102 Cb 1.42 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1y9j h ARG 102 CO 0.12 1.38 -0.23 -0.91 -1.07 0.00 0.00 179.97 179.26 1y9j h ASN 103 N 0.28 0.00 -3.88 7.04 2.35 -1.45 -3.47 115.58 116.45 1y9j h ASN 103 Ca -0.19 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.29 1y9j h ASN 103 Cb 1.92 0.00 0.08 0.00 0.05 0.00 0.00 38.32 40.36 1y9j h ASN 103 CO 0.24 0.23 -0.44 0.00 -1.65 0.00 0.00 177.43 175.81 1y9j n GLN 104 N -4.06 -4.68 -0.14 0.81 6.02 -1.06 -4.92 117.38 109.35 1y9j n GLN 104 Ca -0.02 0.57 -0.04 0.00 -0.01 0.00 0.00 57.00 57.50 1y9j n GLN 104 Cb 0.30 -4.79 0.05 0.00 1.02 0.00 0.00 30.24 26.82 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 -1.53 0.17 -8.88 1.08 3.38 -1.89 -3.40 115.31 104.24 1y9j h LEU 105 Ca -0.37 0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.14 1y9j h LEU 105 Cb 1.25 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.87 1y9j h LEU 105 CO 0.38 0.13 -0.77 -0.31 0.09 0.00 0.00 178.44 177.95 1y9j s TYR 106 N -6.14 1.85 0.05 1.13 1.51 -1.26 0.19 117.35 114.67 1y9j s TYR 106 Ca -0.13 -0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 55.22 1y9j s TYR 106 Cb 0.14 -0.90 -0.15 0.00 -0.11 0.00 0.00 41.96 40.94 1y9j s TYR 106 CO 0.72 0.37 1.50 1.49 -1.11 0.00 0.00 175.55 178.53 1y9j h GLU 107 N 3.01 0.13 -6.33 -0.62 4.22 -1.34 -3.45 114.58 110.20 1y9j h GLU 107 Ca -0.41 -0.04 -0.47 0.00 0.08 0.00 0.00 59.36 58.52 1y9j h GLU 107 Cb 1.21 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1y9j h GLU 107 CO 0.54 0.36 -0.28 -1.12 -2.18 0.00 0.00 179.01 176.33 1y9j s SER 108 N -5.59 5.27 -0.43 1.04 0.01 -1.25 -3.63 113.70 109.13 1y9j s SER 108 Ca -0.14 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.53 1y9j s SER 108 Cb 0.05 -0.40 0.30 0.00 0.21 0.00 0.00 66.02 66.19 1y9j s SER 108 CO 0.69 -0.84 0.86 -1.22 0.41 0.00 0.00 173.24 173.14 1y9j n TYR 109 N -1.79 -1.58 -1.56 2.43 4.02 -0.35 -2.62 117.16 115.70 1y9j n TYR 109 Ca 0.07 -2.84 -0.13 0.00 -0.01 0.00 0.00 57.90 54.99 1y9j n TYR 109 Cb 0.61 0.64 -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 0.74 1.12 -2.53 -0.72 4.19 0.20 -2.83 117.16 117.32 1y9j n TYR 110 Ca 0.15 -0.05 -0.34 0.00 3.31 0.00 0.00 57.90 60.98 1y9j n TYR 110 Cb 0.65 -2.62 -0.04 0.00 0.49 0.00 0.00 39.34 37.82 1y9j n TYR 110 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1y9j s LEU 111 N 15.40 3.82 -0.22 2.98 1.43 0.31 0.16 118.68 142.56 1y9j s LEU 111 Ca 0.91 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 55.82 1y9j s LEU 111 Cb -0.12 -4.55 0.11 0.00 0.03 0.00 0.00 46.19 41.66 1y9j s LEU 111 CO 0.10 -0.75 0.44 0.21 0.23 0.00 0.00 176.35 176.59 1y9j s ASN 112 N -2.13 -0.32 -0.26 2.29 3.04 0.12 0.62 114.94 118.31 1y9j s ASN 112 Ca 0.66 0.91 -0.10 0.00 0.04 0.00 0.00 52.86 54.37 1y9j s ASN 112 Cb -0.15 1.45 -0.05 0.00 -1.54 0.00 0.00 41.25 40.96 1y9j s ASN 112 CO 0.21 -0.24 0.16 -0.36 -3.04 0.00 0.00 177.10 173.82 1y9j s PHE 113 N 2.64 3.22 0.14 0.43 0.08 -1.25 0.84 117.98 124.10 1y9j s PHE 113 Ca 0.02 0.05 -0.16 0.00 0.12 0.00 0.00 56.93 56.97 1y9j s PHE 113 Cb -0.13 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 1y9j s PHE 113 CO -0.14 -0.12 1.73 -0.84 -0.10 0.00 0.00 175.22 175.75 1y9j h ILE 114 N 5.28 1.17 -2.22 0.64 -2.65 -1.85 -3.36 117.51 114.52 1y9j h ILE 114 Ca -0.36 -0.48 -0.43 0.00 1.03 0.00 0.00 64.86 64.61 1y9j h ILE 114 Cb 1.18 0.70 0.04 0.00 -2.05 0.00 0.00 36.82 36.69 1y9j h ILE 114 CO 0.59 0.19 -0.09 -0.44 0.03 0.00 0.00 178.15 178.42 1y9j s SER 115 N -5.78 5.36 -0.48 2.16 0.01 -1.26 0.19 113.70 113.90 1y9j s SER 115 Ca -0.13 -0.13 -0.28 0.00 1.31 0.00 0.00 55.95 56.71 1y9j s SER 115 Cb 0.11 -0.80 0.03 0.00 0.21 0.00 0.00 66.02 65.57 1y9j s SER 115 CO 0.75 -1.05 1.11 0.00 0.41 0.00 0.00 173.24 174.45 1y9j s ALA 116 N -2.66 3.16 0.44 1.44 0.00 -1.26 -4.72 121.76 118.16 1y9j s ALA 116 Ca 0.57 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1y9j s ALA 116 Cb -0.10 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 1y9j s ALA 116 CO 0.37 -2.25 0.71 -1.50 0.00 0.00 0.00 175.76 173.09 1y9j s ILE 117 N 4.38 4.94 0.22 0.00 2.07 -1.26 -5.05 121.20 126.49 1y9j s ILE 117 Ca 0.46 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.74 1y9j s ILE 117 Cb -0.07 -3.86 -0.03 0.00 0.13 0.00 0.00 42.46 38.63 1y9j s ILE 117 CO 0.31 -0.75 0.25 -0.44 -1.91 0.00 0.00 174.94 172.40 1y9j s SER 118 N -4.09 5.90 0.33 4.50 0.01 -1.26 -4.93 113.70 114.16 1y9j s SER 118 Ca 0.45 -0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.73 1y9j s SER 118 Cb -0.10 -1.63 0.80 0.00 0.21 0.00 0.00 66.02 65.30 1y9j s SER 118 CO 0.42 -0.02 1.80 0.03 0.41 0.00 0.00 173.24 175.88 1y9j h ARG 119 N 1.60 0.68 0.52 12.44 3.08 -1.99 0.68 114.38 131.39 1y9j h ARG 119 Ca -0.50 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1y9j h ARG 119 Cb 1.22 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.13 1y9j h ARG 119 CO 0.62 0.45 -0.25 0.66 -1.07 0.00 0.00 179.97 180.38 1y9j h SER 120 N 0.70 -0.59 -0.41 7.04 4.64 -1.99 0.27 113.55 123.21 1y9j h SER 120 Ca 0.55 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.81 1y9j h SER 120 Cb 0.93 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1y9j h SER 120 CO -0.32 -0.41 -0.00 0.11 -0.87 0.00 0.00 176.83 175.33 1y9j h LYS 121 N -0.71 0.80 -0.73 4.77 1.57 -1.69 -2.71 116.57 117.87 1y9j h LYS 121 Ca -0.07 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1y9j h LYS 121 Cb 0.54 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1y9j h LYS 121 CO 0.12 0.81 0.35 -0.07 -0.57 0.00 0.00 179.45 180.08 1y9j h LEU 122 N 0.75 0.95 -1.28 2.94 3.38 0.56 -2.25 115.31 120.37 1y9j h LEU 122 Ca 0.15 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1y9j h LEU 122 Cb 0.46 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1y9j h LEU 122 CO 0.02 0.82 0.52 -0.33 0.09 0.00 0.00 178.44 179.56 1y9j h GLU 123 N 1.02 0.87 -0.53 1.13 5.08 -0.16 0.16 114.58 122.16 1y9j h GLU 123 Ca 0.25 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1y9j h GLU 123 Cb 0.12 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1y9j h GLU 123 CO -0.03 0.58 0.31 -0.44 -1.00 0.00 0.00 179.01 178.43 1y9j h ASP 124 N 0.90 0.49 -0.12 1.42 5.19 -1.23 0.29 116.42 123.35 1y9j h ASP 124 Ca 0.33 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.61 1y9j h ASP 124 Cb 0.15 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1y9j h ASP 124 CO -0.11 0.34 -0.45 0.40 -3.12 0.00 0.00 179.24 176.30 1y9j h ILE 125 N 0.61 1.36 -0.80 0.35 5.03 -1.20 0.33 117.51 123.19 1y9j h ILE 125 Ca 0.22 -1.76 0.07 0.00 -0.12 0.00 0.00 64.86 63.27 1y9j h ILE 125 Cb 0.05 2.12 -0.06 0.00 -3.03 0.00 0.00 36.82 35.90 1y9j h ILE 125 CO -0.11 0.53 0.48 0.00 -0.68 0.00 0.00 178.15 178.37 1y9j h ALA 126 N 0.50 1.10 0.00 1.87 0.00 -0.43 -0.68 119.26 121.63 1y9j h ALA 126 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1y9j h ALA 126 Cb 1.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1y9j h ALA 126 CO 0.09 0.19 -0.83 -0.91 0.00 0.00 0.00 179.25 177.80 1y9j h ASN 127 N 0.87 0.00 -0.94 0.00 2.35 -0.41 -3.02 115.58 114.44 1y9j h ASN 127 Ca 0.36 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.37 1y9j h ASN 127 Cb 0.20 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1y9j h ASN 127 CO -0.19 0.83 0.66 0.00 -1.65 0.00 0.00 177.43 177.08 1y9j h ALA 128 N 1.17 2.73 0.17 -0.83 0.00 0.12 0.60 119.26 123.22 1y9j h ALA 128 Ca -0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1y9j h ALA 128 Cb 1.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1y9j h ALA 128 CO 0.11 -1.01 -1.81 0.00 0.00 0.00 0.00 179.25 176.54 1y9j h ALA 129 N 1.55 0.24 -0.44 0.00 0.00 -1.42 -3.34 119.26 115.85 1y9j h ALA 129 Ca 0.46 -1.21 0.13 0.00 0.00 0.00 0.00 54.91 54.28 1y9j h ALA 129 Cb 1.67 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.98 1y9j h ALA 129 CO -0.05 1.09 0.48 -0.07 0.00 0.00 0.00 179.25 180.70 1y9j h LEU 130 N 0.07 0.00 -0.89 0.00 3.38 -0.78 1.49 115.31 118.57 1y9j h LEU 130 Ca -0.37 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 1y9j h LEU 130 Cb 2.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1y9j h LEU 130 CO 0.14 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.15 1y9j h ALA 131 N 1.46 1.08 -0.04 1.53 0.00 -1.49 -3.17 119.26 118.62 1y9j h ALA 131 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1y9j h ALA 131 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1y9j h ALA 131 CO -0.00 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1y9j n ALA 132 N -2.45 2.05 -3.32 0.00 0.00 0.19 -4.98 120.51 112.00 1y9j n ALA 132 Ca -0.02 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.07 1y9j n ALA 132 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.45 -3.27 -4.69 0.00 0.23 0.45 -4.89 115.26 102.64 1y9j n ASN 133 Ca 0.03 -0.34 -0.41 0.00 -0.53 0.00 0.00 54.58 53.33 1y9j n ASN 133 Cb 0.30 -2.74 -0.04 0.00 -2.08 0.00 0.00 39.78 35.23 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y9j s ALA 134 N -2.84 3.37 -0.33 -2.53 0.00 -0.95 -4.97 121.76 113.51 1y9j s ALA 134 Ca 0.37 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1y9j s ALA 134 Cb -0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1y9j s ALA 134 CO 0.46 -0.40 2.28 0.28 0.00 0.00 0.00 175.76 178.37 1y9j n VAL 135 N 4.26 0.20 -4.42 0.00 0.31 -1.24 -4.74 118.33 112.70 1y9j n VAL 135 Ca 0.04 -0.49 -0.24 0.00 -0.01 0.00 0.00 64.34 63.64 1y9j n VAL 135 Cb 0.50 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.97 1y9j n VAL 135 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1y9j s THR 136 N 9.06 2.63 -0.30 2.52 -4.23 -1.26 -1.21 115.64 122.84 1y9j s THR 136 Ca 1.03 -2.15 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1y9j s THR 136 Cb -0.44 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 70.95 1y9j s THR 136 CO 0.36 -0.29 0.82 0.00 -0.54 0.00 0.00 174.62 174.97 1y9j s GLN 137 N -3.62 0.43 -0.04 3.99 0.00 -1.13 -4.92 119.66 114.37 1y9j s GLN 137 Ca 0.32 1.02 -0.19 0.00 -0.00 0.00 0.00 55.36 56.51 1y9j s GLN 137 Cb -0.02 0.61 -0.05 0.00 0.00 0.00 0.00 33.01 33.55 1y9j s GLN 137 CO 0.17 -0.21 0.55 0.08 0.00 0.00 0.00 175.29 175.88 1y9j s VAL 138 N 2.71 5.01 0.68 3.63 1.01 -1.26 0.11 120.40 132.30 1y9j s VAL 138 Ca -0.01 1.12 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1y9j s VAL 138 Cb -0.10 -3.88 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1y9j s VAL 138 CO -0.18 0.40 0.93 0.00 0.00 0.00 0.00 175.10 176.25 1y9j n ALA 139 N 2.97 0.66 -1.48 5.51 0.00 0.20 -4.92 120.51 123.46 1y9j n ALA 139 Ca -0.07 -2.06 -0.30 0.00 0.00 0.00 0.00 53.44 51.01 1y9j n ALA 139 Cb 0.51 0.44 0.11 0.00 0.00 0.00 0.00 19.45 20.51 1y9j n ALA 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1y9j s LYS 140 N -4.96 1.76 -0.08 0.00 -2.85 -1.26 -4.49 119.74 107.87 1y9j s LYS 140 Ca 0.65 0.61 -0.01 0.00 -1.00 0.00 0.00 55.97 56.22 1y9j s LYS 140 Cb -0.04 -1.88 -0.03 0.00 -2.06 0.00 0.00 37.83 33.81 1y9j s LYS 140 CO 0.43 -1.84 -0.01 0.08 0.10 0.00 0.00 175.35 174.10 1y9j s VAL 141 N -3.13 4.19 0.00 1.79 1.01 -1.26 -4.31 120.40 118.69 1y9j s VAL 141 Ca 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1y9j s VAL 141 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1y9j s VAL 141 CO 0.55 0.59 0.00 2.22 0.00 0.00 0.00 175.10 178.45 1y9j n PHE 142 N 2.09 0.00 0.46 5.22 -1.74 -1.20 -4.72 117.46 117.57 1y9j n PHE 142 Ca -0.18 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.69 1y9j n PHE 142 Cb 0.53 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.62 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 -1.82 2.69 0.05 5.98 -0.08 0.50 -3.93 116.55 119.94 1y9j n ASP 143 Ca 0.00 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.95 1y9j n ASP 143 Cb 0.37 -0.57 -0.06 0.00 2.34 0.00 0.00 41.12 43.20 1y9j n ASP 143 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1y9j h GLN 144 N 0.70 0.00 -0.16 -0.67 3.07 -1.79 -3.36 115.11 112.90 1y9j h GLN 144 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1y9j h GLN 144 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1y9j h GLN 144 CO 0.20 0.35 0.00 2.48 0.09 0.00 0.00 178.83 181.95 1y9j n TYR 145 N -2.96 0.30 -3.59 0.06 4.11 -1.25 -4.90 117.16 108.93 1y9j n TYR 145 Ca -0.07 -0.62 -0.04 0.00 -0.00 0.00 0.00 57.90 57.17 1y9j n TYR 145 Cb 0.82 -0.09 0.02 0.00 -0.00 0.00 0.00 39.34 40.09 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 -0.25 0.00 0.00 -3.48 -0.00 -1.26 -5.14 117.00 106.87 1y9j n LEU 146 Ca 0.09 -1.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.89 1y9j n LEU 146 Cb 0.46 1.99 0.00 0.00 -0.00 0.00 0.00 43.42 45.86 1y9j n LEU 146 CO 0.05 -0.40 0.00 0.59 -0.00 0.00 0.00 177.39 177.63