#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 0.48 0.60 0.00 0.87 -2.06 -2.04 113.55 111.40 1y9j h SER 9 Ca 0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1y9j h SER 9 Cb 0.00 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1y9j h SER 9 CO 0.00 0.37 -0.29 0.40 -0.53 0.00 0.00 176.83 176.78 1y9j h ILE 10 N 0.56 0.00 -1.11 2.23 1.08 -2.04 -2.90 117.51 115.32 1y9j h ILE 10 Ca 0.15 -0.29 0.32 0.00 -0.39 0.00 0.00 64.86 64.64 1y9j h ILE 10 Cb -0.02 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.68 1y9j h ILE 10 CO -0.03 0.00 0.79 -0.09 -0.69 0.00 0.00 178.15 178.13 1y9j h ARG 11 N -1.10 0.07 0.21 2.37 9.65 -1.99 0.44 114.38 124.03 1y9j h ARG 11 Ca -0.08 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1y9j h ARG 11 Cb 0.62 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1y9j h ARG 11 CO 0.14 0.04 -0.10 0.93 2.80 0.00 0.00 179.97 183.78 1y9j h GLU 12 N 0.07 -0.28 -1.01 0.20 5.08 -1.26 -2.76 114.58 114.61 1y9j h GLU 12 Ca 0.55 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 59.18 1y9j h GLU 12 Cb 2.05 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 31.24 1y9j h GLU 12 CO -0.06 -0.07 0.61 0.00 -1.00 0.00 0.00 179.01 178.50 1y9j h ARG 13 N -0.44 0.53 0.06 2.33 -0.00 -0.70 -0.21 114.38 115.95 1y9j h ARG 13 Ca -0.03 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.44 1y9j h ARG 13 Cb 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 29.97 30.14 1y9j h ARG 13 CO 0.05 0.35 -0.31 1.96 0.00 0.00 0.00 179.97 182.02 1y9j h GLN 14 N 0.55 -0.48 0.00 0.04 4.20 -1.35 -0.44 115.11 117.63 1y9j h GLN 14 Ca 0.64 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.38 1y9j h GLN 14 Cb 1.28 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1y9j h GLN 14 CO -0.44 -0.32 -0.02 1.15 -0.67 0.00 0.00 178.83 178.53 1y9j h THR 15 N -0.50 0.14 0.44 -0.54 2.02 -0.97 -2.78 112.91 110.71 1y9j h THR 15 Ca 0.05 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1y9j h THR 15 Cb 0.56 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1y9j h THR 15 CO -0.22 0.01 -0.21 0.58 0.37 0.00 0.00 175.52 176.05 1y9j h VAL 16 N 0.00 0.57 0.00 3.16 2.07 -0.37 1.76 116.25 123.45 1y9j h VAL 16 Ca -0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1y9j h VAL 16 Cb 0.13 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1y9j h VAL 16 CO 0.00 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.43 1y9j h ALA 17 N -0.09 1.29 0.00 1.67 0.00 -1.37 -2.90 119.26 117.86 1y9j h ALA 17 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1y9j h ALA 17 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1y9j h ALA 17 CO 0.10 0.23 -0.18 -0.07 0.00 0.00 0.00 179.25 179.33 1y9j h LEU 18 N 0.00 0.00 -1.80 0.00 3.38 -1.21 -2.88 115.31 112.79 1y9j h LEU 18 Ca -0.00 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.37 1y9j h LEU 18 Cb 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1y9j h LEU 18 CO 0.02 0.42 1.10 0.11 0.09 0.00 0.00 178.44 180.18 1y9j h LYS 19 N -0.66 0.00 0.00 1.13 1.57 0.26 0.61 116.57 119.49 1y9j h LYS 19 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1y9j h LYS 19 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1y9j h LYS 19 CO 0.00 0.00 -0.86 0.00 -0.57 0.00 0.00 179.45 178.02 1y9j h ARG 20 N 0.00 0.00 -0.18 3.15 3.08 -1.66 -3.30 114.38 115.47 1y9j h ARG 20 Ca 0.65 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.69 1y9j h ARG 20 Cb 2.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.88 1y9j h ARG 20 CO -0.01 0.90 0.06 0.00 -1.07 0.00 0.00 179.97 179.86 1y9j h MET 21 N -1.00 0.27 -0.11 0.04 -0.00 -0.86 1.29 114.93 114.56 1y9j h MET 21 Ca -0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.42 1y9j h MET 21 Cb 1.14 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.69 1y9j h MET 21 CO -0.14 0.37 0.00 1.47 -0.00 0.00 0.00 176.91 178.61 1y9j n LEU 22 N -4.83 0.61 0.00 -0.10 -0.00 0.04 -4.26 117.00 108.46 1y9j n LEU 22 Ca -0.04 -0.30 0.00 0.00 -0.00 0.00 0.00 56.01 55.66 1y9j n LEU 22 Cb 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 1y9j n LEU 22 CO 0.35 0.15 -0.08 -3.20 -0.00 0.00 0.00 177.39 174.61 1y9j n ASN 23 N -0.17 0.05 -4.56 1.45 2.85 -1.10 -4.86 115.26 108.92 1y9j n ASN 23 Ca 0.04 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.11 1y9j n ASN 23 Cb 0.10 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.09 1y9j n ASN 23 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1y9j s PHE 24 N -1.94 2.06 0.13 1.20 -0.12 0.44 -4.96 117.98 114.79 1y9j s PHE 24 Ca 0.00 0.39 -0.31 0.00 -0.05 0.00 0.00 56.93 56.96 1y9j s PHE 24 Cb 0.00 -4.37 -0.09 0.00 -0.63 0.00 0.00 43.02 37.93 1y9j s PHE 24 CO 0.00 -2.15 1.46 0.54 -0.05 0.00 0.00 175.22 175.02 1y9j s ASN 25 N 5.47 6.73 0.63 1.98 4.22 -1.26 -4.70 114.94 128.01 1y9j s ASN 25 Ca 0.52 2.44 -0.15 0.00 -2.14 0.00 0.00 52.86 53.52 1y9j s ASN 25 Cb -0.11 -2.59 -0.02 0.00 1.28 0.00 0.00 41.25 39.82 1y9j s ASN 25 CO 0.20 -0.72 1.09 0.68 -2.04 0.00 0.00 177.10 176.31 1y9j s VAL 26 N 1.12 3.51 -0.33 3.54 -7.23 -1.26 -4.89 120.40 114.86 1y9j s VAL 26 Ca 0.67 0.71 -0.36 0.00 -1.81 0.00 0.00 61.98 61.18 1y9j s VAL 26 Cb -0.39 -3.24 -0.12 0.00 0.56 0.00 0.00 36.38 33.19 1y9j s VAL 26 CO 0.31 -0.43 2.12 -2.65 -0.31 0.00 0.00 175.10 174.13 1y9j n PRO 27 N -2.23 1.09 -4.55 4.82 -0.02 -1.26 -4.95 135.00 127.90 1y9j n PRO 27 Ca 0.10 0.32 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 1y9j n PRO 27 Cb 0.52 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 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 6.62 2.21 -0.63 6.00 2.46 -1.26 -5.07 115.29 125.62 1y9j s HIS 28 Ca 1.08 -0.39 -0.26 0.00 0.47 0.00 0.00 55.06 55.95 1y9j s HIS 28 Cb -0.91 -1.24 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 1y9j s HIS 28 CO 0.52 0.24 2.00 0.08 -2.47 0.00 0.00 174.74 175.11 1y9j s VAL 29 N -0.98 3.28 -0.27 0.89 1.01 -1.26 -4.94 120.40 118.13 1y9j s VAL 29 Ca 0.12 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1y9j s VAL 29 Cb -0.10 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1y9j s VAL 29 CO 0.04 -0.70 0.03 -0.54 0.00 0.00 0.00 175.10 173.93 1y9j s LYS 30 N 7.36 3.06 -0.17 2.72 1.02 -1.26 -4.98 119.74 127.48 1y9j s LYS 30 Ca 0.75 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 55.69 1y9j s LYS 30 Cb -0.13 -3.23 -0.15 0.00 -0.52 0.00 0.00 37.83 33.81 1y9j s LYS 30 CO 0.19 -0.40 0.18 -0.97 -0.92 0.00 0.00 175.35 173.43 1y9j h ASN 31 N 8.16 0.00 -3.73 2.83 -0.73 -2.05 -3.43 115.58 116.63 1y9j h ASN 31 Ca -0.33 -0.42 -0.76 0.00 1.87 0.00 0.00 56.30 56.67 1y9j h ASN 31 Cb 1.12 0.00 -0.28 0.00 0.27 0.00 0.00 38.32 39.44 1y9j h ASN 31 CO 0.59 1.16 -0.09 -0.55 -0.37 0.00 0.00 177.43 178.17 1y9j s SER 32 N -6.39 6.26 1.04 1.15 0.15 -1.26 -5.07 113.70 109.58 1y9j s SER 32 Ca -0.22 -2.52 -0.13 0.00 0.70 0.00 0.00 55.95 53.79 1y9j s SER 32 Cb 0.03 -2.12 0.21 0.00 -1.71 0.00 0.00 66.02 62.44 1y9j s SER 32 CO 0.47 -0.58 1.08 -2.16 1.20 0.00 0.00 173.24 173.25 1y9j s PRO 33 N 0.44 0.07 0.00 5.44 0.04 -1.26 -4.46 135.00 135.28 1y9j s PRO 33 Ca 0.14 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1y9j s PRO 33 Cb -0.17 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1y9j s PRO 33 CO -0.05 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.42 1y9j n GLY 34 N -0.77 1.18 3.89 0.56 0.00 -1.26 -5.10 105.19 103.70 1y9j n GLY 34 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.03 3.64 0.83 1.61 8.01 -1.26 -5.09 118.70 126.41 1y9j s GLU 35 Ca 0.00 -0.04 -0.11 0.00 0.01 0.00 0.00 54.97 54.83 1y9j s GLU 35 Cb 0.00 -2.84 0.09 0.00 -4.31 0.00 0.00 34.13 27.07 1y9j s GLU 35 CO 0.00 0.46 1.09 -1.25 0.01 0.00 0.00 175.26 175.58 1y9j s PRO 36 N -2.61 1.80 -0.50 0.39 0.04 -1.26 -5.01 135.00 127.84 1y9j s PRO 36 Ca 0.41 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 1y9j s PRO 36 Cb -0.12 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.69 1y9j s PRO 36 CO 0.24 -1.93 0.36 0.08 0.04 0.00 0.00 177.00 175.78 1y9j s VAL 37 N -2.90 4.09 -0.08 -0.36 1.01 -1.26 -5.06 120.40 115.84 1y9j s VAL 37 Ca 0.62 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 1y9j s VAL 37 Cb -0.18 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1y9j s VAL 37 CO 0.57 -0.79 1.31 0.26 0.00 0.00 0.00 175.10 176.44 1y9j s TRP 38 N 1.11 2.90 -0.09 5.22 0.52 -1.26 -4.94 118.94 122.38 1y9j s TRP 38 Ca 0.08 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.17 1y9j s TRP 38 Cb -0.24 -3.55 -0.03 0.00 -1.15 0.00 0.00 33.47 28.51 1y9j s TRP 38 CO -0.02 -1.92 -0.09 0.21 0.02 0.00 0.00 176.95 175.15 1y9j s LYS 39 N 2.83 3.00 0.28 4.98 2.20 -0.84 -3.93 119.74 128.26 1y9j s LYS 39 Ca 0.59 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 1y9j s LYS 39 Cb -0.26 -2.62 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1y9j s LYS 39 CO 0.21 0.49 0.44 0.08 -0.36 0.00 0.00 175.35 176.21 1y9j s VAL 40 N -0.36 5.19 -0.02 4.02 1.01 0.49 -2.81 120.40 127.92 1y9j s VAL 40 Ca 0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1y9j s VAL 40 Cb -0.12 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1y9j s VAL 40 CO 0.02 -0.42 0.06 -0.22 0.00 0.00 0.00 175.10 174.54 1y9j s LEU 41 N -4.12 1.65 -0.24 3.92 2.96 -0.78 0.13 118.68 122.20 1y9j s LEU 41 Ca 0.36 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 1y9j s LEU 41 Cb -0.09 0.18 0.07 0.00 0.50 0.00 0.00 46.19 46.84 1y9j s LEU 41 CO 0.32 -0.04 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.67 1y9j s ILE 42 N 0.20 1.30 0.24 6.68 -1.09 1.03 -2.69 121.20 126.87 1y9j s ILE 42 Ca -0.01 -1.20 0.09 0.00 -2.23 0.00 0.00 60.65 57.29 1y9j s ILE 42 Cb -0.02 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1y9j s ILE 42 CO -0.01 -0.24 0.03 -0.72 -1.23 0.00 0.00 174.94 172.78 1y9j s TYR 43 N 1.48 2.81 0.06 3.97 -0.85 -1.11 -0.97 117.35 122.74 1y9j s TYR 43 Ca -0.02 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1y9j s TYR 43 Cb -0.18 -1.28 0.00 0.00 0.38 0.00 0.00 41.96 40.88 1y9j s TYR 43 CO -0.09 0.58 0.04 -3.47 -1.52 0.00 0.00 175.55 171.08 1y9j n ASP 44 N -0.76 1.35 -0.34 -0.18 2.03 -1.25 -3.12 116.55 114.29 1y9j n ASP 44 Ca -0.07 -1.22 0.17 0.00 0.52 0.00 0.00 54.79 54.18 1y9j n ASP 44 Cb 0.58 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.35 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 0.56 0.15 -0.67 -0.00 -1.99 0.23 114.38 112.66 1y9j h ARG 45 Ca -0.04 -0.03 -0.30 0.00 -0.00 0.00 0.00 59.98 59.60 1y9j h ARG 45 Cb 0.14 -0.13 0.01 0.00 -0.00 0.00 0.00 29.97 29.99 1y9j h ARG 45 CO 0.06 0.37 -1.41 0.74 -0.00 0.00 0.00 179.97 179.73 1y9j h PHE 46 N 0.58 0.58 -0.71 4.08 -1.00 -1.94 -2.75 116.94 115.78 1y9j h PHE 46 Ca 0.63 -0.42 0.12 0.00 2.81 0.00 0.00 57.97 61.10 1y9j h PHE 46 Cb 1.17 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 40.62 1y9j h PHE 46 CO -0.02 1.39 0.30 0.78 -1.61 0.00 0.00 178.31 179.15 1y9j h GLY 47 N 1.32 1.06 2.00 -1.45 0.00 -0.86 0.19 103.07 105.33 1y9j h GLY 47 Ca -0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 1y9j h GLY 47 CO 0.20 -0.03 -0.63 0.06 0.00 0.00 0.00 176.54 176.14 1y9j h GLN 48 N 0.49 0.00 0.00 4.80 3.07 -0.98 0.16 115.11 122.65 1y9j h GLN 48 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1y9j h GLN 48 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 1y9j h GLN 48 CO -0.34 0.63 0.00 -3.47 0.09 0.00 0.00 178.83 175.74 1y9j n ASP 49 N -3.52 0.18 0.00 0.06 2.03 0.58 -2.30 116.55 113.58 1y9j n ASP 49 Ca -0.00 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1y9j n ASP 49 Cb 0.69 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.71 0.00 -0.05 5.18 5.41 -0.64 -4.66 119.36 122.89 1y9j n ILE 50 Ca 0.02 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 1y9j n ILE 50 Cb 0.12 -0.43 -0.07 0.00 -0.71 0.00 0.00 39.64 38.54 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 1.34 0.42 1.39 2.10 -0.73 -3.23 117.51 118.81 1y9j h ILE 51 Ca 0.00 -1.25 -0.02 0.00 1.08 0.00 0.00 64.86 64.67 1y9j h ILE 51 Cb 0.78 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 38.39 1y9j h ILE 51 CO 0.00 0.36 -0.20 -1.28 -1.08 0.00 0.00 178.15 175.95 1y9j h SER 52 N -0.06 -0.48 -0.70 2.19 0.87 -1.57 0.75 113.55 114.55 1y9j h SER 52 Ca 0.02 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.79 1y9j h SER 52 Cb 0.63 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 1y9j h SER 52 CO 0.03 -0.33 0.77 -0.65 -0.53 0.00 0.00 176.83 176.12 1y9j h PRO 53 N -0.59 0.00 0.00 2.24 0.11 -1.73 0.44 132.00 132.47 1y9j h PRO 53 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y9j h PRO 53 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1y9j h PRO 53 CO 0.10 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 179.10 1y9j n LEU 54 N -3.54 1.86 -3.52 2.35 4.77 -0.94 -5.05 117.00 112.92 1y9j n LEU 54 Ca 0.15 -2.45 -0.11 0.00 -0.03 0.00 0.00 56.01 53.57 1y9j n LEU 54 Cb 1.01 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1y9j n LEU 54 CO 0.26 0.57 0.66 -0.22 -1.33 0.00 0.00 177.39 177.34 1y9j s LEU 55 N -1.98 -0.42 0.37 2.23 0.20 0.26 -5.02 118.68 114.33 1y9j s LEU 55 Ca 0.20 0.22 0.04 0.00 0.69 0.00 0.00 54.13 55.27 1y9j s LEU 55 Cb 0.17 2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 47.98 1y9j s LEU 55 CO 0.02 -0.56 0.12 -0.55 -0.29 0.00 0.00 176.35 175.09 1y9j s SER 56 N -1.91 2.48 0.04 3.68 0.15 -1.26 -3.90 113.70 112.98 1y9j s SER 56 Ca 0.01 -1.59 -0.25 0.00 0.70 0.00 0.00 55.95 54.81 1y9j s SER 56 Cb -0.01 0.36 -0.17 0.00 -1.71 0.00 0.00 66.02 64.49 1y9j s SER 56 CO -0.04 -0.86 1.50 0.58 1.20 0.00 0.00 173.24 175.63 1y9j h VAL 57 N 1.93 1.02 -0.43 4.45 2.07 -1.98 0.41 116.25 123.72 1y9j h VAL 57 Ca -0.36 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1y9j h VAL 57 Cb 1.26 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1y9j h VAL 57 CO 0.59 0.11 0.13 0.07 0.02 0.00 0.00 177.57 178.49 1y9j h LYS 58 N -0.35 0.62 -0.01 1.57 2.10 -1.99 -1.43 116.57 117.09 1y9j h LYS 58 Ca -0.01 -0.10 -0.20 0.00 -2.00 0.00 0.00 60.65 58.34 1y9j h LYS 58 Cb 0.29 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 1y9j h LYS 58 CO 0.02 0.55 -0.86 0.93 -2.00 0.00 0.00 179.45 178.09 1y9j h GLU 59 N 0.61 0.26 -0.29 0.07 5.08 -1.93 -0.27 114.58 118.11 1y9j h GLU 59 Ca 0.15 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1y9j h GLU 59 Cb 0.19 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1y9j h GLU 59 CO -0.01 0.97 0.13 -0.07 -1.00 0.00 0.00 179.01 179.03 1y9j h LEU 60 N 0.15 0.18 -0.04 1.33 3.38 0.69 0.14 115.31 121.14 1y9j h LEU 60 Ca -0.05 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1y9j h LEU 60 Cb 1.48 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1y9j h LEU 60 CO 0.14 0.14 -0.44 0.03 0.09 0.00 0.00 178.44 178.39 1y9j h ARG 61 N 0.28 0.00 0.00 1.13 2.47 -1.29 -2.97 114.38 113.99 1y9j h ARG 61 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 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 -0.10 0.44 -0.11 -0.25 0.56 0.00 0.00 179.97 180.51 1y9j n ASP 62 N -3.22 0.13 0.08 7.04 8.00 -0.12 -3.39 116.55 125.07 1y9j n ASP 62 Ca 0.02 0.34 0.11 0.00 0.71 0.00 0.00 54.79 55.98 1y9j n ASP 62 Cb 0.70 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1y9j n ASP 62 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1y9j n MET 63 N -1.52 0.61 0.00 -1.24 2.81 0.44 -4.95 117.12 113.27 1y9j n MET 63 Ca 0.07 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1y9j n MET 63 Cb 0.34 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1y9j n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y9j n GLY 64 N 1.20 1.63 3.74 3.03 0.00 -1.22 -4.97 105.19 108.59 1y9j n GLY 64 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1y9j n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y9j s ILE 65 N -1.82 5.38 -0.19 -0.61 2.07 -1.13 -1.99 121.20 122.92 1y9j s ILE 65 Ca 0.00 0.18 0.22 0.00 -1.41 0.00 0.00 60.65 59.64 1y9j s ILE 65 Cb 0.00 -3.45 -0.07 0.00 0.13 0.00 0.00 42.46 39.08 1y9j s ILE 65 CO 0.00 0.46 0.93 1.07 -1.91 0.00 0.00 174.94 175.49 1y9j n THR 66 N 3.39 0.55 -3.64 4.00 5.66 -1.12 -4.61 114.28 118.50 1y9j n THR 66 Ca -0.16 -0.55 -0.07 0.00 -3.05 0.00 0.00 64.05 60.22 1y9j n THR 66 Cb 0.52 -0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 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 -5.24 -0.42 -0.07 1.09 1.98 -1.26 -5.05 118.68 109.70 1y9j s LEU 67 Ca -0.02 0.77 -0.03 0.00 -2.89 0.00 0.00 54.13 51.96 1y9j s LEU 67 Cb 0.10 1.76 0.04 0.00 0.66 0.00 0.00 46.19 48.75 1y9j s LEU 67 CO 0.81 -0.13 0.15 -1.38 -1.89 0.00 0.00 176.35 173.91 1y9j s HIS 68 N 0.51 -0.16 0.27 5.38 -3.43 -1.26 -1.87 115.29 114.72 1y9j s HIS 68 Ca 0.00 0.51 -0.17 0.00 -0.80 0.00 0.00 55.06 54.60 1y9j s HIS 68 Cb -0.05 -0.15 0.01 0.00 -1.43 0.00 0.00 32.58 30.97 1y9j s HIS 68 CO -0.10 -0.20 0.61 -0.48 -2.00 0.00 0.00 174.74 172.58 1y9j s LEU 69 N 1.53 0.01 -0.03 5.38 -0.00 -1.09 -5.02 118.68 119.45 1y9j s LEU 69 Ca -0.05 -0.76 -0.26 0.00 -0.00 0.00 0.00 54.13 53.06 1y9j s LEU 69 Cb -0.12 2.29 -0.04 0.00 -0.00 0.00 0.00 46.19 48.32 1y9j s LEU 69 CO -0.06 -1.26 0.79 -0.76 -0.00 0.00 0.00 176.35 175.07 1y9j s LEU 70 N -2.97 4.35 0.61 1.48 1.43 -1.26 -2.77 118.68 119.56 1y9j s LEU 70 Ca 0.16 1.37 0.31 0.00 -1.03 0.00 0.00 54.13 54.94 1y9j s LEU 70 Cb -0.04 -3.25 1.74 0.00 0.03 0.00 0.00 46.19 44.68 1y9j s LEU 70 CO 0.08 -0.14 2.09 -0.07 0.23 0.00 0.00 176.35 178.54 1y9j h LEU 71 N 6.60 0.00 -3.17 1.79 4.07 -1.89 0.33 115.31 123.04 1y9j h LEU 71 Ca -0.41 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.29 1y9j h LEU 71 Cb 1.20 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.82 1y9j h LEU 71 CO 0.75 0.00 0.33 1.57 -1.08 0.00 0.00 178.44 180.01 1y9j n HIS 72 N -3.53 1.35 -3.67 1.13 -0.00 -1.26 -4.86 115.22 104.38 1y9j n HIS 72 Ca 0.01 -1.51 -0.06 0.00 0.46 0.00 0.00 57.72 56.61 1y9j n HIS 72 Cb 0.33 -0.75 -0.01 0.00 -0.12 0.00 0.00 29.99 29.45 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1y9j n SER 73 N 0.17 -0.84 -4.67 0.26 3.41 0.10 -5.13 113.62 106.92 1y9j n SER 73 Ca 0.26 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.54 1y9j n SER 73 Cb 0.76 1.49 -0.02 0.00 -0.26 0.00 0.00 64.21 66.18 1y9j n SER 73 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1y9j s ASP 74 N -2.07 7.09 -0.04 4.04 1.11 -1.26 -4.95 116.67 120.58 1y9j s ASP 74 Ca 0.12 1.60 -0.03 0.00 0.18 0.00 0.00 52.55 54.42 1y9j s ASP 74 Cb -0.01 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1y9j s ASP 74 CO 0.09 -0.61 0.12 -0.13 1.18 0.00 0.00 175.17 175.82 1y9j s ARG 75 N 2.70 3.26 0.29 8.23 0.52 -1.26 -4.95 118.95 127.74 1y9j s ARG 75 Ca 0.50 -0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1y9j s ARG 75 Cb -0.20 -3.01 -0.06 0.00 0.52 0.00 0.00 34.95 32.20 1y9j s ARG 75 CO 0.15 0.69 0.59 -0.51 0.02 0.00 0.00 175.30 176.25 1y9j s ASP 76 N -1.55 6.53 -0.46 0.23 1.11 -1.26 -5.04 116.67 116.23 1y9j s ASP 76 Ca 0.21 0.86 -0.26 0.00 0.18 0.00 0.00 52.55 53.55 1y9j s ASP 76 Cb -0.12 -2.21 0.03 0.00 1.07 0.00 0.00 42.92 41.69 1y9j s ASP 76 CO 0.12 -0.19 0.94 -2.16 1.18 0.00 0.00 175.17 175.06 1y9j s PRO 77 N -3.34 3.55 -0.40 8.23 0.04 -1.26 -4.84 135.00 136.98 1y9j s PRO 77 Ca 0.46 0.19 0.12 0.00 0.04 0.00 0.00 61.00 61.81 1y9j s PRO 77 Cb -0.11 -3.92 0.38 0.00 0.04 0.00 0.00 34.50 30.89 1y9j s PRO 77 CO 0.27 -1.23 0.84 -0.89 0.04 0.00 0.00 177.00 176.03 1y9j n ILE 78 N 6.43 0.82 0.33 0.56 -0.00 0.57 -4.91 119.36 123.17 1y9j n ILE 78 Ca 0.06 -4.46 0.21 0.00 -0.00 0.00 0.00 62.75 58.57 1y9j n ILE 78 Cb 0.49 -0.33 1.16 0.00 -0.00 0.00 0.00 39.64 40.96 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 2.97 0.00 -0.81 0.38 -0.00 -1.37 -1.51 114.38 114.04 1y9j h ARG 79 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.04 1y9j h ARG 79 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.89 1y9j h ARG 79 CO 0.58 0.00 0.03 -3.47 -0.00 0.00 0.00 179.97 177.11 1y9j n ASP 80 N -3.24 3.37 -3.73 0.08 -0.08 -1.26 -2.00 116.55 109.69 1y9j n ASP 80 Ca -0.03 -2.49 -0.12 0.00 -1.51 0.00 0.00 54.79 50.63 1y9j n ASP 80 Cb 0.07 -0.60 -0.13 0.00 2.34 0.00 0.00 41.12 42.80 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 -1.86 -0.04 0.36 5.18 1.01 -0.57 -4.96 120.40 119.53 1y9j s VAL 81 Ca 0.27 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1y9j s VAL 81 Cb 0.21 -0.38 -0.11 0.00 0.00 0.00 0.00 36.38 36.10 1y9j s VAL 81 CO 0.08 0.05 1.51 -0.81 0.00 0.00 0.00 175.10 175.93 1y9j n PRO 82 N 4.08 2.69 -4.49 2.72 -0.04 -1.25 -2.47 135.00 136.23 1y9j n PRO 82 Ca -0.24 0.94 -0.24 0.00 -0.04 0.00 0.00 63.50 63.92 1y9j n PRO 82 Cb 0.54 -2.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 1y9j n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y9j s ALA 83 N -0.90 2.78 -0.04 0.55 0.00 -1.04 -0.38 121.76 122.74 1y9j s ALA 83 Ca 0.55 -1.97 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1y9j s ALA 83 Cb -0.48 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1y9j s ALA 83 CO 0.61 0.15 -0.10 0.08 0.00 0.00 0.00 175.76 176.50 1y9j s VAL 84 N -2.61 0.93 -0.66 0.00 1.01 0.36 0.30 120.40 119.73 1y9j s VAL 84 Ca 0.31 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1y9j s VAL 84 Cb -0.01 -0.84 0.18 0.00 0.00 0.00 0.00 36.38 35.71 1y9j s VAL 84 CO 0.15 0.29 0.49 -1.22 0.00 0.00 0.00 175.10 174.82 1y9j n TYR 85 N 3.47 2.64 -2.77 5.22 4.02 0.39 0.34 117.16 130.47 1y9j n TYR 85 Ca -0.20 -4.15 -0.43 0.00 -0.01 0.00 0.00 57.90 53.11 1y9j n TYR 85 Cb 0.53 -0.49 -0.02 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.32 2.98 0.29 -0.72 5.36 -0.14 -0.65 117.98 123.78 1y9j s PHE 86 Ca 0.27 -1.44 0.04 0.00 -0.96 0.00 0.00 56.93 54.85 1y9j s PHE 86 Cb -0.01 -4.49 -0.03 0.00 -0.34 0.00 0.00 43.02 38.14 1y9j s PHE 86 CO -0.16 -1.65 0.22 0.14 -1.46 0.00 0.00 175.22 172.30 1y9j s VAL 87 N 3.36 0.04 0.31 3.12 -7.23 0.26 -3.79 120.40 116.47 1y9j s VAL 87 Ca 0.42 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.37 1y9j s VAL 87 Cb -0.01 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1y9j s VAL 87 CO -0.04 0.00 0.86 -0.32 -0.31 0.00 0.00 175.10 175.29 1y9j s MET 88 N -3.70 4.39 -0.13 4.82 1.75 -1.26 -2.64 119.30 122.54 1y9j s MET 88 Ca 0.39 1.11 -0.03 0.00 -1.25 0.00 0.00 55.69 55.92 1y9j s MET 88 Cb 0.04 -2.71 -0.03 0.00 2.84 0.00 0.00 34.83 34.97 1y9j s MET 88 CO 0.22 0.26 2.62 -0.35 -0.65 0.00 0.00 175.02 177.12 1y9j n PRO 89 N 0.37 1.67 -2.02 4.11 -0.04 -1.26 -4.61 135.00 133.22 1y9j n PRO 89 Ca 0.02 -0.95 -0.32 0.00 -0.04 0.00 0.00 63.50 62.21 1y9j n PRO 89 Cb 0.51 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.45 4.36 0.24 0.52 -4.23 -1.26 -4.70 115.64 110.11 1y9j s THR 90 Ca 0.35 0.94 -0.14 0.00 -1.18 0.00 0.00 61.69 61.67 1y9j s THR 90 Cb 0.20 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.69 1y9j s THR 90 CO -0.03 -0.83 1.58 -0.33 -0.54 0.00 0.00 174.62 174.47 1y9j h GLU 91 N 0.14 -0.03 -0.69 3.99 5.08 -1.99 0.51 114.58 121.59 1y9j h GLU 91 Ca -0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1y9j h GLU 91 Cb 1.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1y9j h GLU 91 CO 0.60 -0.02 0.29 0.93 -1.00 0.00 0.00 179.01 179.81 1y9j h GLU 92 N -0.03 1.03 -0.25 2.33 5.08 -1.96 -2.84 114.58 117.95 1y9j h GLU 92 Ca 0.36 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1y9j h GLU 92 Cb 0.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1y9j h GLU 92 CO -0.87 0.84 0.14 -0.91 -1.00 0.00 0.00 179.01 177.21 1y9j h ASN 93 N 0.98 0.31 -0.84 1.42 4.21 -0.62 -1.74 115.58 119.31 1y9j h ASN 93 Ca 0.23 -0.09 0.22 0.00 1.21 0.00 0.00 56.30 57.87 1y9j h ASN 93 Cb 0.19 -0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.26 1y9j h ASN 93 CO -0.02 0.31 0.58 0.40 -1.29 0.00 0.00 177.43 177.41 1y9j h ILE 94 N 0.29 0.63 0.00 2.81 1.08 0.01 0.79 117.51 123.12 1y9j h ILE 94 Ca 0.09 -0.06 -0.12 0.00 -0.39 0.00 0.00 64.86 64.37 1y9j h ILE 94 Cb 0.07 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1y9j h ILE 94 CO -0.01 0.03 -0.59 -0.78 -0.69 0.00 0.00 178.15 176.11 1y9j h ASP 95 N 0.17 0.00 0.02 1.72 3.58 -1.10 -2.99 116.42 117.82 1y9j h ASP 95 Ca 0.42 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.73 1y9j h ASP 95 Cb 1.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.41 1y9j h ASP 95 CO -0.08 0.59 -0.43 0.03 -2.88 0.00 0.00 179.24 176.47 1y9j h ARG 96 N 0.00 0.50 -0.25 0.28 3.08 0.11 0.24 114.38 118.33 1y9j h ARG 96 Ca -0.01 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.63 1y9j h ARG 96 Cb 1.17 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1y9j h ARG 96 CO 0.08 0.84 -0.45 -0.07 -1.07 0.00 0.00 179.97 179.30 1y9j h LEU 97 N 0.41 0.69 -0.25 3.04 -0.00 -1.36 0.17 115.31 118.01 1y9j h LEU 97 Ca 0.03 -0.33 -0.21 0.00 -0.00 0.00 0.00 57.88 57.37 1y9j h LEU 97 Cb 0.92 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1y9j h LEU 97 CO 0.08 1.04 -0.77 0.00 -0.00 0.00 0.00 178.44 178.80 1y9j h GLN 99 N 0.44 0.64 0.00 0.00 1.08 -0.87 -2.83 115.11 113.58 1y9j h GLN 99 Ca -0.05 -0.51 -0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1y9j h GLN 99 Cb 1.38 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 1y9j h GLN 99 CO 0.15 1.13 -0.00 0.22 -0.95 0.00 0.00 178.83 179.38 1y9j h ASP 100 N 0.44 -0.00 -0.64 1.46 3.58 -0.68 -2.78 116.42 117.80 1y9j h ASP 100 Ca -0.04 -0.80 0.18 0.00 0.42 0.00 0.00 57.03 56.79 1y9j h ASP 100 Cb 1.35 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.37 1y9j h ASP 100 CO 0.14 0.80 0.46 -0.07 -2.88 0.00 0.00 179.24 177.69 1y9j h LEU 101 N -0.81 0.05 0.04 2.28 3.38 -0.64 0.19 115.31 119.78 1y9j h LEU 101 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1y9j h LEU 101 Cb 0.80 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1y9j h LEU 101 CO 0.00 0.02 -1.08 -0.09 0.09 0.00 0.00 178.44 177.38 1y9j h ARG 102 N 0.05 0.08 0.00 1.13 1.12 -1.54 -3.25 114.38 111.97 1y9j h ARG 102 Ca 0.31 -0.13 -0.07 0.00 -1.11 0.00 0.00 59.98 58.97 1y9j h ARG 102 Cb 1.15 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 1y9j h ARG 102 CO -0.02 1.05 -0.34 -0.91 -3.11 0.00 0.00 179.97 176.65 1y9j h ASN 103 N 0.02 0.00 -4.38 -3.80 2.35 -0.43 -3.48 115.58 105.86 1y9j h ASN 103 Ca -0.05 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.33 1y9j h ASN 103 Cb 1.83 0.00 0.07 0.00 0.05 0.00 0.00 38.32 40.28 1y9j h ASN 103 CO 0.15 0.34 -0.56 0.00 -1.65 0.00 0.00 177.43 175.71 1y9j n GLN 104 N -3.31 -5.13 0.21 0.81 6.02 -0.10 -4.87 117.38 111.02 1y9j n GLN 104 Ca 0.01 0.80 0.13 0.00 -0.01 0.00 0.00 57.00 57.94 1y9j n GLN 104 Cb 0.58 -5.50 0.74 0.00 1.02 0.00 0.00 30.24 27.08 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 -1.56 0.00 -7.71 1.08 3.38 -1.90 -3.34 115.31 105.26 1y9j h LEU 105 Ca -0.49 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 1y9j h LEU 105 Cb 1.33 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.83 1y9j h LEU 105 CO 0.51 0.00 -0.59 -0.31 0.09 0.00 0.00 178.44 178.14 1y9j s TYR 106 N -4.89 -0.02 0.13 1.13 1.51 -1.26 0.21 117.35 114.17 1y9j s TYR 106 Ca -0.05 0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 55.88 1y9j s TYR 106 Cb 0.17 -0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.99 1y9j s TYR 106 CO 0.63 -0.13 1.73 1.49 -1.11 0.00 0.00 175.55 178.16 1y9j h GLU 107 N 5.38 0.12 -6.17 -0.62 4.81 -1.07 -3.44 114.58 113.59 1y9j h GLU 107 Ca -0.27 -0.01 -0.50 0.00 -0.13 0.00 0.00 59.36 58.45 1y9j h GLU 107 Cb 1.20 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1y9j h GLU 107 CO 0.43 0.08 -0.36 -1.12 -0.73 0.00 0.00 179.01 177.32 1y9j s SER 108 N -5.28 5.01 -0.44 1.04 0.01 -1.26 -4.23 113.70 108.56 1y9j s SER 108 Ca -0.13 -0.80 0.07 0.00 1.31 0.00 0.00 55.95 56.40 1y9j s SER 108 Cb 0.10 -0.44 0.26 0.00 0.21 0.00 0.00 66.02 66.16 1y9j s SER 108 CO 0.69 -0.73 0.75 -1.22 0.41 0.00 0.00 173.24 173.14 1y9j n TYR 109 N -1.60 -1.79 -1.56 2.43 4.01 -0.65 -2.49 117.16 115.51 1y9j n TYR 109 Ca 0.04 -2.70 -0.13 0.00 -0.16 0.00 0.00 57.90 54.94 1y9j n TYR 109 Cb 0.62 0.62 -0.08 0.00 -0.31 0.00 0.00 39.34 40.20 1y9j n TYR 109 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1y9j n TYR 110 N 1.31 1.13 -2.58 -0.72 4.19 0.15 -2.72 117.16 117.92 1y9j n TYR 110 Ca 0.15 -0.03 -0.37 0.00 3.31 0.00 0.00 57.90 60.96 1y9j n TYR 110 Cb 0.60 -2.59 -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 14.93 4.25 -0.21 2.98 1.43 0.29 0.15 118.68 142.49 1y9j s LEU 111 Ca 0.92 2.04 -0.04 0.00 -1.03 0.00 0.00 54.13 56.02 1y9j s LEU 111 Cb -0.13 -4.06 0.11 0.00 0.03 0.00 0.00 46.19 42.14 1y9j s LEU 111 CO 0.10 -0.35 0.35 0.21 0.23 0.00 0.00 176.35 176.89 1y9j s ASN 112 N -1.46 0.26 -0.14 2.29 3.04 0.18 0.11 114.94 119.22 1y9j s ASN 112 Ca 0.54 0.44 -0.13 0.00 0.04 0.00 0.00 52.86 53.75 1y9j s ASN 112 Cb -0.23 1.02 -0.05 0.00 -1.54 0.00 0.00 41.25 40.46 1y9j s ASN 112 CO 0.29 -0.27 0.27 -0.36 -3.04 0.00 0.00 177.10 173.99 1y9j s PHE 113 N 2.52 3.51 0.16 0.43 0.08 -1.19 0.90 117.98 124.38 1y9j s PHE 113 Ca 0.06 0.61 0.08 0.00 0.12 0.00 0.00 56.93 57.80 1y9j s PHE 113 Cb -0.14 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 39.98 1y9j s PHE 113 CO -0.13 0.37 1.36 -0.84 -0.10 0.00 0.00 175.22 175.88 1y9j h ILE 114 N 4.45 1.65 -1.19 0.64 -2.65 -1.85 -3.37 117.51 115.19 1y9j h ILE 114 Ca -0.44 -3.09 -0.52 0.00 1.03 0.00 0.00 64.86 61.83 1y9j h ILE 114 Cb 1.18 2.67 -0.04 0.00 -2.05 0.00 0.00 36.82 38.58 1y9j h ILE 114 CO 0.71 0.88 -0.34 -0.55 0.03 0.00 0.00 178.15 178.88 1y9j s SER 115 N -6.75 4.89 -0.77 2.16 0.15 -1.26 -2.04 113.70 110.08 1y9j s SER 115 Ca 0.00 -0.92 -0.24 0.00 0.70 0.00 0.00 55.95 55.49 1y9j s SER 115 Cb 0.11 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1y9j s SER 115 CO 0.81 -0.83 1.16 0.00 1.20 0.00 0.00 173.24 175.58 1y9j s ALA 116 N -2.58 2.96 0.68 5.45 0.00 -1.26 -4.76 121.76 122.24 1y9j s ALA 116 Ca 0.45 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 1y9j s ALA 116 Cb -0.03 -4.11 -0.00 0.00 0.00 0.00 0.00 23.12 18.98 1y9j s ALA 116 CO 0.26 -3.10 1.05 -1.50 0.00 0.00 0.00 175.76 172.48 1y9j s ILE 117 N 4.61 4.17 0.21 0.00 2.07 -1.26 -5.07 121.20 125.93 1y9j s ILE 117 Ca 0.31 0.70 0.06 0.00 -1.41 0.00 0.00 60.65 60.31 1y9j s ILE 117 Cb -0.10 -3.50 -0.04 0.00 0.13 0.00 0.00 42.46 38.96 1y9j s ILE 117 CO 0.07 -0.92 0.19 -0.55 -1.91 0.00 0.00 174.94 171.82 1y9j s SER 118 N -3.88 5.62 0.40 4.50 0.15 -1.26 -4.93 113.70 114.30 1y9j s SER 118 Ca 0.57 -0.16 0.17 0.00 0.70 0.00 0.00 55.95 57.24 1y9j s SER 118 Cb -0.13 -1.48 1.07 0.00 -1.71 0.00 0.00 66.02 63.77 1y9j s SER 118 CO 0.55 0.01 1.82 0.03 1.20 0.00 0.00 173.24 176.85 1y9j h ARG 119 N 1.88 0.42 0.01 5.44 3.08 -1.98 0.58 114.38 123.81 1y9j h ARG 119 Ca -0.48 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1y9j h ARG 119 Cb 1.22 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1y9j h ARG 119 CO 0.62 0.27 -0.01 0.77 -1.07 0.00 0.00 179.97 180.56 1y9j h SER 120 N 0.43 -0.02 0.02 7.04 0.02 -2.00 -1.29 113.55 117.76 1y9j h SER 120 Ca 0.52 -0.38 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1y9j h SER 120 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1y9j h SER 120 CO -0.23 0.38 -0.24 0.11 -1.14 0.00 0.00 176.83 175.71 1y9j h LYS 121 N -0.41 0.37 -0.27 3.45 1.57 -1.56 -2.90 116.57 116.82 1y9j h LYS 121 Ca -0.00 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1y9j h LYS 121 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1y9j h LYS 121 CO 0.00 0.59 0.03 -0.07 -0.57 0.00 0.00 179.45 179.43 1y9j h LEU 122 N 0.33 0.43 -1.55 2.94 3.38 0.16 -2.65 115.31 118.36 1y9j h LEU 122 Ca 0.05 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.86 1y9j h LEU 122 Cb 0.60 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1y9j h LEU 122 CO 0.04 0.60 0.46 -0.33 0.09 0.00 0.00 178.44 179.30 1y9j h GLU 123 N 0.25 0.48 -0.17 1.13 5.08 -1.05 0.28 114.58 120.59 1y9j h GLU 123 Ca 0.08 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1y9j h GLU 123 Cb 0.36 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1y9j h GLU 123 CO 0.01 0.32 0.07 -0.44 -1.00 0.00 0.00 179.01 177.96 1y9j h ASP 124 N 0.49 0.09 0.13 1.42 5.19 -1.28 1.08 116.42 123.55 1y9j h ASP 124 Ca 0.32 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1y9j h ASP 124 Cb 0.59 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1y9j h ASP 124 CO -0.10 0.08 -0.06 0.40 -3.12 0.00 0.00 179.24 176.43 1y9j h ILE 125 N 0.16 1.03 -0.39 0.35 5.03 -1.10 0.86 117.51 123.45 1y9j h ILE 125 Ca 0.07 -1.03 0.07 0.00 -0.12 0.00 0.00 64.86 63.85 1y9j h ILE 125 Cb 0.03 1.64 -0.06 0.00 -3.03 0.00 0.00 36.82 35.40 1y9j h ILE 125 CO -0.06 0.23 -0.00 0.00 -0.68 0.00 0.00 178.15 177.64 1y9j h ALA 126 N 0.03 0.35 -0.01 1.87 0.00 -0.43 0.33 119.26 121.41 1y9j h ALA 126 Ca -0.02 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1y9j h ALA 126 Cb 0.52 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1y9j h ALA 126 CO 0.03 -0.40 -0.54 -0.91 0.00 0.00 0.00 179.25 177.43 1y9j h ASN 127 N 0.10 0.03 -1.01 0.00 2.35 0.12 -2.67 115.58 114.50 1y9j h ASN 127 Ca 0.19 -0.02 0.29 0.00 -0.55 0.00 0.00 56.30 56.21 1y9j h ASN 127 Cb 0.27 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1y9j h ASN 127 CO -0.32 0.57 0.72 0.00 -1.65 0.00 0.00 177.43 176.75 1y9j h ALA 128 N 1.43 2.90 0.11 -0.83 0.00 0.30 0.31 119.26 123.48 1y9j h ALA 128 Ca -0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1y9j h ALA 128 Cb 0.97 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1y9j h ALA 128 CO 0.07 -1.20 -1.69 0.00 0.00 0.00 0.00 179.25 176.43 1y9j h ALA 129 N 1.50 0.37 -1.16 0.00 0.00 -1.15 -3.34 119.26 115.49 1y9j h ALA 129 Ca 0.49 -1.23 0.34 0.00 0.00 0.00 0.00 54.91 54.50 1y9j h ALA 129 Cb 1.89 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 20.07 1y9j h ALA 129 CO -0.02 1.23 0.89 -0.07 0.00 0.00 0.00 179.25 181.28 1y9j h LEU 130 N 0.06 0.00 -0.35 0.00 -0.00 -0.25 1.80 115.31 116.57 1y9j h LEU 130 Ca -0.30 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.52 1y9j h LEU 130 Cb 2.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.68 1y9j h LEU 130 CO 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.58 1y9j h ALA 131 N 1.30 0.48 -0.18 1.53 0.00 -1.62 -3.14 119.26 117.62 1y9j h ALA 131 Ca 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1y9j h ALA 131 Cb 2.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1y9j h ALA 131 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1y9j n ALA 132 N -2.38 2.42 -3.57 0.00 0.00 0.15 -4.98 120.51 112.15 1y9j n ALA 132 Ca -0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.42 1y9j n ALA 132 Cb 0.27 -0.68 0.06 0.00 0.00 0.00 0.00 19.45 19.11 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 1.12 -2.15 -4.94 0.00 3.02 0.57 -4.99 115.26 107.88 1y9j n ASN 133 Ca 0.14 -0.70 -0.24 0.00 -0.03 0.00 0.00 54.58 53.75 1y9j n ASN 133 Cb 0.50 -4.66 -0.00 0.00 -0.61 0.00 0.00 39.78 35.01 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y9j s ALA 134 N -3.47 3.71 -0.53 5.41 0.00 -1.01 -4.99 121.76 120.88 1y9j s ALA 134 Ca 0.07 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1y9j s ALA 134 Cb -0.03 -2.15 0.09 0.00 0.00 0.00 0.00 23.12 21.03 1y9j s ALA 134 CO 0.77 -0.19 0.56 0.08 0.00 0.00 0.00 175.76 176.97 1y9j s VAL 135 N -2.44 5.04 0.06 0.00 1.01 -1.26 -4.74 120.40 118.06 1y9j s VAL 135 Ca 0.44 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1y9j s VAL 135 Cb -0.10 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1y9j s VAL 135 CO 0.37 -0.86 -0.24 0.42 0.00 0.00 0.00 175.10 174.79 1y9j s THR 136 N 2.13 2.36 -0.09 3.92 -4.23 -1.26 -1.64 115.64 116.82 1y9j s THR 136 Ca 0.08 -1.40 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1y9j s THR 136 Cb -0.25 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.67 1y9j s THR 136 CO 0.07 0.31 0.14 0.00 -0.54 0.00 0.00 174.62 174.59 1y9j s GLN 137 N -1.46 0.02 -0.71 3.99 0.00 -1.10 -4.97 119.66 115.43 1y9j s GLN 137 Ca 0.13 0.42 -0.22 0.00 -0.00 0.00 0.00 55.36 55.69 1y9j s GLN 137 Cb -0.10 -0.57 0.08 0.00 0.00 0.00 0.00 33.01 32.41 1y9j s GLN 137 CO 0.04 -0.38 1.02 0.08 0.00 0.00 0.00 175.29 176.04 1y9j s VAL 138 N 2.25 4.33 1.26 3.63 1.01 -1.26 0.10 120.40 131.73 1y9j s VAL 138 Ca 0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1y9j s VAL 138 Cb -0.13 -4.72 0.31 0.00 0.00 0.00 0.00 36.38 31.84 1y9j s VAL 138 CO -0.06 -1.50 1.01 0.00 0.00 0.00 0.00 175.10 174.55 1y9j s ALA 139 N 3.99 -0.24 0.88 5.51 0.00 0.29 -4.93 121.76 127.26 1y9j s ALA 139 Ca 0.25 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1y9j s ALA 139 Cb -0.14 -3.04 0.12 0.00 0.00 0.00 0.00 23.12 20.05 1y9j s ALA 139 CO 0.07 -3.99 1.09 0.15 0.00 0.00 0.00 175.76 173.09 1y9j s LYS 140 N -4.93 1.37 0.04 0.00 -0.14 -1.26 -4.32 119.74 110.49 1y9j s LYS 140 Ca 0.69 1.01 0.01 0.00 -1.36 0.00 0.00 55.97 56.31 1y9j s LYS 140 Cb -0.17 -1.81 -0.04 0.00 -1.68 0.00 0.00 37.83 34.14 1y9j s LYS 140 CO 0.60 -2.22 0.10 0.08 -0.76 0.00 0.00 175.35 173.15 1y9j s VAL 141 N -2.86 4.76 -0.06 3.17 1.01 -1.26 -4.46 120.40 120.70 1y9j s VAL 141 Ca 0.63 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1y9j s VAL 141 Cb -0.19 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1y9j s VAL 141 CO 0.57 0.23 -0.05 2.22 0.00 0.00 0.00 175.10 178.07 1y9j n PHE 142 N 0.75 0.00 0.59 5.22 -1.74 -1.26 -4.62 117.46 116.40 1y9j n PHE 142 Ca -0.10 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.86 1y9j n PHE 142 Cb 0.52 -0.22 0.33 0.00 1.52 0.00 0.00 39.48 41.63 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 -2.75 0.00 0.29 5.98 9.92 -1.13 -2.93 116.55 125.93 1y9j n ASP 143 Ca -0.10 0.22 0.20 0.00 -0.53 0.00 0.00 54.79 54.57 1y9j n ASP 143 Cb 0.60 -0.35 1.00 0.00 -0.64 0.00 0.00 41.12 41.73 1y9j n ASP 143 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1y9j h GLN 144 N 0.00 0.00 0.00 -1.24 -0.00 -1.67 -2.79 115.11 109.41 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.64 1y9j h GLN 144 CO 0.00 0.00 -1.10 0.98 0.00 0.00 0.00 178.83 178.71 1y9j n TYR 145 N -2.91 0.00 -3.75 3.99 4.19 -1.15 -4.94 117.16 112.59 1y9j n TYR 145 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 1y9j n TYR 145 Cb 0.11 -0.09 0.00 0.00 0.49 0.00 0.00 39.34 39.86 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 -1.60 0.00 0.00 2.98 -0.00 -1.05 -5.21 117.00 112.12 1y9j n LEU 146 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1y9j n LEU 146 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1y9j n LEU 146 CO 0.09 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.07