#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3guo s ASN 2 N 0.00 0.63 0.35 6.12 2.20 -1.26 -5.03 114.94 117.95 3guo s ASN 2 Ca 0.00 -1.35 0.04 0.00 -0.94 0.00 0.00 52.86 50.61 3guo s ASN 2 Cb 0.00 0.67 0.69 0.00 -2.00 0.00 0.00 41.25 40.61 3guo s ASN 2 CO 0.00 -1.31 1.96 -0.29 -2.94 0.00 0.00 177.10 174.52 3guo h ILE 3 N 2.13 1.05 -0.06 0.54 6.09 -2.00 -0.65 117.51 124.61 3guo h ILE 3 Ca -0.29 -0.28 -0.08 0.00 -1.37 0.00 0.00 64.86 62.85 3guo h ILE 3 Cb 1.24 0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3guo h ILE 3 CO 0.39 0.15 -0.27 -0.26 -3.07 0.00 0.00 178.15 175.09 3guo h PHE 4 N 0.82 0.38 -0.67 2.19 0.04 -1.99 -1.59 116.94 116.13 3guo h PHE 4 Ca 0.32 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 3guo h PHE 4 Cb 0.20 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 3guo h PHE 4 CO -0.00 0.89 0.21 0.93 -0.60 0.00 0.00 178.31 179.74 3guo h GLU 5 N -0.24 1.01 -0.32 1.51 5.08 -1.93 -1.51 114.58 118.19 3guo h GLU 5 Ca -0.02 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3guo h GLU 5 Cb 0.92 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3guo h GLU 5 CO 0.06 0.86 0.20 1.98 -1.00 0.00 0.00 179.01 181.11 3guo h MET 6 N 0.98 0.42 -0.28 2.33 4.05 -1.05 -2.11 114.93 119.27 3guo h MET 6 Ca 0.22 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.47 3guo h MET 6 Cb 0.27 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3guo h MET 6 CO -0.01 0.31 -0.35 -0.07 0.23 0.00 0.00 176.91 177.01 3guo h LEU 7 N 0.42 0.80 -0.81 3.39 3.38 -1.16 -2.41 115.31 118.92 3guo h LEU 7 Ca 0.11 -0.49 0.19 0.00 0.09 0.00 0.00 57.88 57.78 3guo h LEU 7 Cb -0.01 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 40.39 3guo h LEU 7 CO -0.02 1.14 0.23 0.03 0.09 0.00 0.00 178.44 179.90 3guo h ARG 8 N 0.49 0.27 -0.27 1.13 3.08 -1.19 0.61 114.38 118.49 3guo h ARG 8 Ca 0.04 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 3guo h ARG 8 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3guo h ARG 8 CO 0.08 0.18 -0.47 0.82 -1.07 0.00 0.00 179.97 179.52 3guo h ILE 9 N 0.28 1.29 0.25 2.04 2.04 -1.26 0.19 117.51 122.33 3guo h ILE 9 Ca 0.48 -1.66 -0.33 0.00 1.00 0.00 0.00 64.86 64.34 3guo h ILE 9 Cb 0.88 1.58 0.04 0.00 -0.74 0.00 0.00 36.82 38.58 3guo h ILE 9 CO -0.56 0.53 -1.47 0.44 0.00 0.00 0.00 178.15 177.10 3guo h ASP 10 N 0.58 0.81 0.00 1.72 3.32 -0.77 -3.35 116.42 118.73 3guo h ASP 10 Ca 0.03 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.21 3guo h ASP 10 Cb 1.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3guo h ASP 10 CO 0.10 1.68 -1.37 -0.62 -1.72 0.00 0.00 179.24 177.31 3guo n GLU 11 N -3.70 0.34 0.00 3.56 -0.58 0.20 -4.66 120.64 115.80 3guo n GLU 11 Ca -0.16 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 3guo n GLU 11 Cb 1.10 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 3guo n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3guo n GLY 12 N 1.41 2.33 3.51 0.62 0.00 0.66 -4.26 105.19 109.45 3guo n GLY 12 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 3guo n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3guo s LEU 13 N 0.00 -0.85 -0.03 0.99 2.96 -1.26 -4.21 118.68 116.28 3guo s LEU 13 Ca 0.00 1.34 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 3guo s LEU 13 Cb 0.00 1.98 0.01 0.00 0.50 0.00 0.00 46.19 48.68 3guo s LEU 13 CO 0.00 -0.22 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.62 3guo s ARG 14 N 2.33 0.84 -0.07 1.98 1.81 -0.82 -5.01 118.95 120.02 3guo s ARG 14 Ca -0.06 -0.18 0.17 0.00 -1.72 0.00 0.00 55.73 53.94 3guo s ARG 14 Cb -0.10 -0.81 0.57 0.00 -0.45 0.00 0.00 34.95 34.16 3guo s ARG 14 CO -0.17 0.00 1.48 1.28 -0.68 0.00 0.00 175.30 177.21 3guo n LEU 15 N 3.69 3.99 -3.92 2.53 4.77 -1.26 0.25 117.00 127.04 3guo n LEU 15 Ca -0.22 -2.30 -0.15 0.00 -0.03 0.00 0.00 56.01 53.31 3guo n LEU 15 Cb 0.53 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 3guo n LEU 15 CO 0.24 0.81 -0.39 -1.59 -1.33 0.00 0.00 177.39 175.13 3guo s LYS 16 N -1.55 0.34 0.04 3.23 -2.85 -1.26 -2.71 119.74 114.98 3guo s LYS 16 Ca 0.42 -0.11 -0.37 0.00 -1.00 0.00 0.00 55.97 54.91 3guo s LYS 16 Cb 0.26 -0.35 -0.19 0.00 -2.06 0.00 0.00 37.83 35.49 3guo s LYS 16 CO 0.22 0.05 0.93 -0.89 0.10 0.00 0.00 175.35 175.77 3guo n ILE 17 N 3.15 0.42 -4.23 3.79 5.41 -1.12 -4.78 119.36 122.00 3guo n ILE 17 Ca -0.15 -0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.35 3guo n ILE 17 Cb 0.57 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.41 3guo n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3guo s TYR 18 N -0.21 1.34 -0.28 1.39 1.13 0.71 -4.92 117.35 116.51 3guo s TYR 18 Ca 0.83 -1.43 -0.12 0.00 -1.41 0.00 0.00 57.07 54.94 3guo s TYR 18 Cb -1.17 -0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 39.01 3guo s TYR 18 CO 0.56 -0.67 0.24 0.15 -2.51 0.00 0.00 175.55 173.32 3guo s LYS 19 N -3.98 3.96 1.01 -3.49 1.02 -1.26 -0.55 119.74 116.46 3guo s LYS 19 Ca 0.39 -0.23 -0.17 0.00 0.02 0.00 0.00 55.97 55.98 3guo s LYS 19 Cb 0.06 -3.66 0.24 0.00 -0.52 0.00 0.00 37.83 33.94 3guo s LYS 19 CO 0.16 -0.21 1.27 -0.40 -0.92 0.00 0.00 175.35 175.25 3guo n ASP 20 N 5.13 -0.30 0.31 2.83 5.68 -0.10 -4.77 116.55 125.33 3guo n ASP 20 Ca -0.13 -1.42 0.19 0.00 -0.50 0.00 0.00 54.79 52.94 3guo n ASP 20 Cb 0.52 -1.00 1.01 0.00 -1.14 0.00 0.00 41.12 40.51 3guo n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3guo n GLU 22 N -2.87 0.16 -0.54 0.00 1.02 -1.26 -4.70 120.64 112.43 3guo n GLU 22 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3guo n GLU 22 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3guo n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3guo n GLY 23 N 1.47 0.71 3.96 0.62 0.00 0.27 -5.08 105.19 107.15 3guo n GLY 23 Ca 0.07 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 3guo n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3guo s TYR 24 N -2.00 3.45 0.07 1.61 2.02 -1.26 -4.72 117.35 116.53 3guo s TYR 24 Ca 0.00 0.08 -0.30 0.00 -0.37 0.00 0.00 57.07 56.48 3guo s TYR 24 Cb 0.00 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3guo s TYR 24 CO 0.00 0.32 0.95 0.71 -1.57 0.00 0.00 175.55 175.96 3guo s TYR 25 N -2.09 3.76 -0.00 2.71 2.02 -1.19 -0.92 117.35 121.63 3guo s TYR 25 Ca 0.36 1.74 -0.24 0.00 -0.37 0.00 0.00 57.07 58.56 3guo s TYR 25 Cb -0.09 -3.05 0.05 0.00 -0.40 0.00 0.00 41.96 38.47 3guo s TYR 25 CO 0.31 0.15 0.54 0.99 -1.57 0.00 0.00 175.55 175.97 3guo s THR 26 N 0.30 0.02 0.27 -0.71 2.01 0.29 -0.25 115.64 117.56 3guo s THR 26 Ca 0.48 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 3guo s THR 26 Cb -0.22 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 3guo s THR 26 CO 0.29 -0.11 0.47 -0.51 -0.69 0.00 0.00 174.62 174.07 3guo s ILE 27 N -1.71 0.00 0.00 1.82 2.07 -0.48 -0.21 121.20 122.70 3guo s ILE 27 Ca -0.09 -1.46 0.00 0.00 -1.41 0.00 0.00 60.65 57.69 3guo s ILE 27 Cb -0.01 -2.33 0.00 0.00 0.13 0.00 0.00 42.46 40.24 3guo s ILE 27 CO 0.04 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 3guo n GLY 28 N -0.41 3.21 3.39 1.50 0.00 0.14 -0.87 105.19 112.15 3guo n GLY 28 Ca -0.01 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 3guo n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3guo s ILE 29 N 0.00 5.45 -1.52 -0.61 1.09 -1.26 -1.94 121.20 122.41 3guo s ILE 29 Ca 0.00 -2.71 -0.02 0.00 -1.10 0.00 0.00 60.65 56.82 3guo s ILE 29 Cb 0.00 -4.69 0.01 0.00 -1.06 0.00 0.00 42.46 36.72 3guo s ILE 29 CO 0.00 -1.32 0.21 0.61 -0.10 0.00 0.00 174.94 174.34 3guo n GLY 30 N 3.80 -0.51 3.57 6.18 0.00 -1.25 -4.90 105.19 112.09 3guo n GLY 30 Ca 0.25 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3guo n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3guo s HIS 31 N -2.98 2.58 0.01 1.61 5.04 -0.05 -4.92 115.29 116.58 3guo s HIS 31 Ca 0.12 0.27 -0.30 0.00 -1.54 0.00 0.00 55.06 53.61 3guo s HIS 31 Cb -0.06 -4.48 -0.06 0.00 0.04 0.00 0.00 32.58 28.02 3guo s HIS 31 CO 0.15 -1.64 1.51 -1.17 -2.34 0.00 0.00 174.74 171.25 3guo s LEU 32 N 4.94 4.33 -0.14 8.88 2.96 -1.26 -1.38 118.68 137.01 3guo s LEU 32 Ca 0.40 2.23 -0.22 0.00 -0.22 0.00 0.00 54.13 56.32 3guo s LEU 32 Cb -0.08 -3.56 -0.25 0.00 0.50 0.00 0.00 46.19 42.80 3guo s LEU 32 CO 0.23 -0.80 0.56 -0.07 -1.32 0.00 0.00 176.35 174.95 3guo h LEU 33 N 8.71 0.16 -7.00 -0.68 3.38 -0.98 -3.48 115.31 115.42 3guo h LEU 33 Ca -0.39 -0.81 0.02 0.00 0.09 0.00 0.00 57.88 56.79 3guo h LEU 33 Cb 1.18 -0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.71 3guo h LEU 33 CO 0.92 1.37 0.35 0.28 0.09 0.00 0.00 178.44 181.44 3guo s THR 34 N -2.36 0.00 -1.56 0.22 -1.32 -1.22 -4.92 115.64 104.48 3guo s THR 34 Ca -0.22 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.51 3guo s THR 34 Cb 0.02 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.10 3guo s THR 34 CO 0.70 0.00 1.34 0.29 -2.21 0.00 0.00 174.62 174.74 3guo n LYS 35 N 0.20 0.64 -1.71 7.08 5.02 -1.26 -3.18 118.16 124.94 3guo n LYS 35 Ca -0.14 -0.44 -0.40 0.00 -2.02 0.00 0.00 58.31 55.31 3guo n LYS 35 Cb 0.61 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3guo n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3guo n SER 36 N -0.80 2.59 0.00 4.39 2.88 -1.26 -4.91 113.62 116.51 3guo n SER 36 Ca 0.09 1.07 0.08 0.00 -1.33 0.00 0.00 58.87 58.78 3guo n SER 36 Cb 0.37 -1.52 0.41 0.00 -0.75 0.00 0.00 64.21 62.71 3guo n SER 36 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3guo n PRO 37 N -0.25 0.14 -3.22 -1.46 -0.04 -1.26 -4.77 135.00 124.13 3guo n PRO 37 Ca 0.07 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 3guo n PRO 37 Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 3guo n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3guo s ASP 38 N -2.76 6.28 0.26 3.54 3.68 -1.26 -4.96 116.67 121.46 3guo s ASP 38 Ca 0.13 -0.32 -0.01 0.00 2.13 0.00 0.00 52.55 54.47 3guo s ASP 38 Cb 0.11 -2.27 0.53 0.00 -1.45 0.00 0.00 42.92 39.84 3guo s ASP 38 CO 0.28 -0.61 1.77 0.25 0.13 0.00 0.00 175.17 176.99 3guo h LEU 39 N 9.29 0.57 -1.47 -1.34 5.85 -2.00 -1.93 115.31 124.27 3guo h LEU 39 Ca -0.27 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3guo h LEU 39 Cb 1.11 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3guo h LEU 39 CO 0.82 0.25 -0.15 0.78 -0.34 0.00 0.00 178.44 179.80 3guo h ASN 40 N 0.66 0.15 -0.32 1.25 2.35 -1.98 0.25 115.58 117.93 3guo h ASN 40 Ca 0.46 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 56.06 3guo h ASN 40 Cb 0.63 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3guo h ASN 40 CO -0.35 0.32 -0.27 0.00 -1.65 0.00 0.00 177.43 175.48 3guo h ALA 41 N 1.70 0.47 -0.69 -0.83 0.00 -1.78 -2.30 119.26 115.84 3guo h ALA 41 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3guo h ALA 41 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3guo h ALA 41 CO 0.02 0.48 0.38 0.00 0.00 0.00 0.00 179.25 180.13 3guo h ALA 42 N 0.74 1.38 -0.32 0.00 0.00 -1.08 -2.45 119.26 117.53 3guo h ALA 42 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3guo h ALA 42 Cb 0.84 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3guo h ALA 42 CO 0.07 0.52 -0.07 0.87 0.00 0.00 0.00 179.25 180.64 3guo h LYS 43 N 0.96 0.52 -0.12 0.00 1.57 -0.32 -2.13 116.57 117.04 3guo h LYS 43 Ca 0.24 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.69 3guo h LYS 43 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3guo h LYS 43 CO -0.04 0.60 -0.74 0.66 -0.57 0.00 0.00 179.45 179.36 3guo h SER 44 N 0.49 0.72 -0.88 0.86 4.64 -1.27 -3.02 113.55 115.09 3guo h SER 44 Ca 0.10 -0.46 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3guo h SER 44 Cb 0.42 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 3guo h SER 44 CO 0.02 1.23 0.46 -0.33 -0.87 0.00 0.00 176.83 177.34 3guo h GLU 45 N 0.42 1.24 0.21 4.77 4.39 -1.01 0.27 114.58 124.86 3guo h GLU 45 Ca -0.04 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3guo h GLU 45 Cb 1.34 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3guo h GLU 45 CO 0.14 0.92 -0.10 1.25 -1.16 0.00 0.00 179.01 180.06 3guo h LEU 46 N 1.24 -0.24 -1.30 1.33 5.85 -1.43 0.34 115.31 121.10 3guo h LEU 46 Ca 0.31 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3guo h LEU 46 Cb 0.06 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3guo h LEU 46 CO -0.05 -0.06 0.50 0.44 -0.34 0.00 0.00 178.44 178.93 3guo h ASP 47 N -0.40 0.78 -0.16 1.25 3.32 -1.36 -0.87 116.42 118.99 3guo h ASP 47 Ca -0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3guo h ASP 47 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3guo h ASP 47 CO 0.05 0.54 0.00 0.50 -1.72 0.00 0.00 179.24 178.60 3guo h LYS 48 N 0.91 0.27 -0.65 3.56 3.64 -0.82 0.24 116.57 123.73 3guo h LYS 48 Ca 0.30 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3guo h LYS 48 Cb 0.07 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3guo h LYS 48 CO -0.09 0.50 0.30 0.00 -2.27 0.00 0.00 179.45 177.88 3guo h ALA 49 N 0.77 1.30 0.10 5.00 0.00 -0.04 -3.33 119.26 123.06 3guo h ALA 49 Ca 0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 3guo h ALA 49 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3guo h ALA 49 CO 0.01 0.54 -1.60 0.82 0.00 0.00 0.00 179.25 179.01 3guo h ILE 50 N 0.92 0.87 0.00 0.00 1.08 -1.12 -3.49 117.51 115.77 3guo h ILE 50 Ca 0.22 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 3guo h ILE 50 Cb 0.12 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 3guo h ILE 50 CO -0.03 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 178.75 3guo n GLY 51 N 1.78 1.23 3.46 5.37 0.00 0.84 -5.08 105.19 112.79 3guo n GLY 51 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 3guo n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3guo s ARG 52 N -0.35 1.31 -0.33 1.61 1.70 -1.14 -5.05 118.95 116.71 3guo s ARG 52 Ca 0.00 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 53.99 3guo s ARG 52 Cb 0.00 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 3guo s ARG 52 CO 0.00 -0.53 1.29 -0.80 -1.08 0.00 0.00 175.30 174.18 3guo s ASN 53 N -2.91 6.64 -0.05 -2.89 0.02 -1.26 -4.27 114.94 110.23 3guo s ASN 53 Ca 0.12 1.10 -0.12 0.00 -1.02 0.00 0.00 52.86 52.95 3guo s ASN 53 Cb 0.00 -2.54 -0.07 0.00 0.02 0.00 0.00 41.25 38.67 3guo s ASN 53 CO -0.01 -1.12 0.50 0.00 0.02 0.00 0.00 177.10 176.48 3guo s ASN 55 N -5.07 4.96 0.00 0.00 3.04 -1.26 -4.33 114.94 112.27 3guo s ASN 55 Ca -0.06 -2.02 0.00 0.00 0.04 0.00 0.00 52.86 50.82 3guo s ASN 55 Cb 0.01 -1.71 0.00 0.00 -1.54 0.00 0.00 41.25 38.01 3guo s ASN 55 CO 0.20 -0.43 0.00 0.61 -3.04 0.00 0.00 177.10 174.44 3guo n GLY 56 N 4.42 0.61 3.04 1.21 0.00 -1.26 -4.99 105.19 108.21 3guo n GLY 56 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3guo n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3guo s VAL 57 N -2.79 0.80 0.14 1.61 1.01 -1.26 -2.79 120.40 117.12 3guo s VAL 57 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3guo s VAL 57 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3guo s VAL 57 CO 0.00 0.23 -0.02 0.27 0.00 0.00 0.00 175.10 175.58 3guo s ILE 58 N -0.22 0.59 0.84 2.22 -4.36 -1.10 -4.75 121.20 114.42 3guo s ILE 58 Ca 0.04 -1.95 -0.10 0.00 -0.26 0.00 0.00 60.65 58.38 3guo s ILE 58 Cb -0.04 -1.93 0.15 0.00 1.25 0.00 0.00 42.46 41.89 3guo s ILE 58 CO -0.00 -0.64 1.17 0.42 0.24 0.00 0.00 174.94 176.13 3guo s THR 59 N -3.71 2.09 0.07 8.37 -4.23 -1.26 -4.85 115.64 112.11 3guo s THR 59 Ca 0.19 -0.20 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 3guo s THR 59 Cb 0.06 -2.89 -0.18 0.00 1.34 0.00 0.00 72.50 70.83 3guo s THR 59 CO -0.00 0.00 1.25 0.50 -0.54 0.00 0.00 174.62 175.83 3guo h LYS 60 N -1.12 0.64 -0.84 3.99 3.64 -2.02 -1.72 116.57 119.15 3guo h LYS 60 Ca -0.43 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 58.38 3guo h LYS 60 Cb 1.27 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 3guo h LYS 60 CO 0.45 1.17 0.42 -0.44 -2.27 0.00 0.00 179.45 178.78 3guo h ASP 61 N 0.30 1.08 -0.48 4.20 5.19 -1.99 -1.49 116.42 123.24 3guo h ASP 61 Ca -0.05 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.11 3guo h ASP 61 Cb 1.32 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 3guo h ASP 61 CO 0.14 0.90 -0.18 -0.33 -3.12 0.00 0.00 179.24 176.64 3guo h GLU 62 N 1.18 0.96 -0.20 3.56 5.08 -1.95 -0.93 114.58 122.29 3guo h GLU 62 Ca 0.29 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3guo h GLU 62 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3guo h GLU 62 CO -0.04 1.07 -0.11 0.00 -1.00 0.00 0.00 179.01 178.93 3guo h ALA 63 N 0.87 1.45 0.04 3.43 0.00 -1.06 -1.03 119.26 122.95 3guo h ALA 63 Ca 0.11 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3guo h ALA 63 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3guo h ALA 63 CO 0.06 0.39 -1.06 0.93 0.00 0.00 0.00 179.25 179.57 3guo h GLU 64 N 0.30 0.10 0.07 0.00 4.39 -0.97 0.17 114.58 118.63 3guo h GLU 64 Ca 0.06 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3guo h GLU 64 Cb 0.38 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3guo h GLU 64 CO 0.02 1.05 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.67 3guo h LYS 65 N 0.03 -0.09 -0.78 2.33 3.64 -0.95 -0.04 116.57 120.72 3guo h LYS 65 Ca -0.05 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3guo h LYS 65 Cb 1.80 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.56 3guo h LYS 65 CO 0.15 0.24 0.40 -0.07 -2.27 0.00 0.00 179.45 177.90 3guo h LEU 66 N -0.43 0.51 -0.10 5.20 3.38 -1.17 -0.48 115.31 122.23 3guo h LEU 66 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3guo h LEU 66 Cb 0.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3guo h LEU 66 CO 0.02 0.26 0.05 0.15 0.09 0.00 0.00 178.44 179.01 3guo h PHE 67 N 0.64 0.13 -0.74 1.13 3.57 -0.46 -0.82 116.94 120.39 3guo h PHE 67 Ca 0.40 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 3guo h PHE 67 Cb 0.47 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3guo h PHE 67 CO -0.10 0.18 0.43 -0.97 -2.23 0.00 0.00 178.31 175.62 3guo h ASN 68 N 0.05 0.88 -0.59 0.41 -1.24 -0.39 -0.42 115.58 114.30 3guo h ASN 68 Ca 0.03 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 56.96 3guo h ASN 68 Cb 0.09 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.89 3guo h ASN 68 CO -0.00 0.69 0.25 1.56 -1.29 0.00 0.00 177.43 178.63 3guo h GLN 69 N 1.01 0.87 -0.25 6.67 4.20 -0.67 -2.32 115.11 124.62 3guo h GLN 69 Ca 0.26 -0.15 -0.20 0.00 0.06 0.00 0.00 58.65 58.63 3guo h GLN 69 Cb -0.03 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3guo h GLN 69 CO -0.05 0.73 -0.62 -0.44 -0.67 0.00 0.00 178.83 177.78 3guo h ASP 70 N 0.81 0.97 -0.05 1.46 3.32 -0.72 0.26 116.42 122.47 3guo h ASP 70 Ca 0.20 -0.56 0.02 0.00 0.02 0.00 0.00 57.03 56.71 3guo h ASP 70 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3guo h ASP 70 CO -0.02 1.36 -0.10 0.58 -1.72 0.00 0.00 179.24 179.34 3guo h VAL 71 N 0.63 0.73 -0.38 -1.35 2.07 -1.09 -1.46 116.25 115.41 3guo h VAL 71 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3guo h VAL 71 Cb 1.24 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3guo h VAL 71 CO 0.13 0.00 -0.07 -0.78 0.02 0.00 0.00 177.57 176.87 3guo h ASP 72 N -0.15 -0.31 -0.88 0.57 1.82 -1.28 -0.85 116.42 115.34 3guo h ASP 72 Ca 0.05 0.11 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 3guo h ASP 72 Cb 0.22 0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.40 3guo h ASP 72 CO -0.13 -0.11 0.57 0.00 -1.61 0.00 0.00 179.24 177.96 3guo h ALA 73 N 1.37 1.15 -0.23 -0.78 0.00 -0.84 -1.46 119.26 118.47 3guo h ALA 73 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3guo h ALA 73 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3guo h ALA 73 CO -0.37 0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.41 3guo h ALA 74 N 1.36 0.30 -0.01 0.00 0.00 -0.68 0.48 119.26 120.70 3guo h ALA 74 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3guo h ALA 74 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3guo h ALA 74 CO -0.11 -0.13 0.01 0.28 0.00 0.00 0.00 179.25 179.29 3guo h VAL 75 N 0.24 1.08 -0.42 0.00 2.07 -1.03 -2.00 116.25 116.19 3guo h VAL 75 Ca 0.08 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3guo h VAL 75 Cb 0.13 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3guo h VAL 75 CO -0.01 0.06 0.09 0.03 0.02 0.00 0.00 177.57 177.76 3guo h ARG 76 N -0.08 0.62 -0.90 1.57 3.08 -1.24 -1.80 114.38 115.64 3guo h ARG 76 Ca 0.00 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3guo h ARG 76 Cb 0.10 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3guo h ARG 76 CO -0.00 0.58 0.59 0.78 -1.07 0.00 0.00 179.97 180.85 3guo h GLY 77 N 0.84 1.28 0.78 0.04 0.00 0.23 -2.00 103.07 104.24 3guo h GLY 77 Ca 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3guo h GLY 77 CO -0.00 0.42 -0.00 -2.22 0.00 0.00 0.00 176.54 174.73 3guo h ILE 78 N 1.17 1.25 0.00 2.60 2.04 -0.70 -2.79 117.51 121.08 3guo h ILE 78 Ca 0.35 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 3guo h ILE 78 Cb -0.05 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3guo h ILE 78 CO -0.09 0.25 -0.25 -0.07 0.00 0.00 0.00 178.15 177.99 3guo h LEU 79 N -0.00 0.00 -0.33 1.44 3.38 -1.05 -2.09 115.31 116.65 3guo h LEU 79 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3guo h LEU 79 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3guo h LEU 79 CO 0.01 0.25 -0.41 0.54 0.09 0.00 0.00 178.44 178.91 3guo n ARG 80 N -3.55 0.52 -3.26 1.13 1.74 -0.78 -4.80 116.66 107.66 3guo n ARG 80 Ca -0.01 -0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 56.34 3guo n ARG 80 Cb 0.39 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 3guo n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3guo s ASN 81 N -2.71 6.37 0.58 0.55 3.84 -0.79 -4.96 114.94 117.82 3guo s ASN 81 Ca 0.18 0.31 0.34 0.00 0.21 0.00 0.00 52.86 53.90 3guo s ASN 81 Cb 0.18 -2.27 1.76 0.00 -0.55 0.00 0.00 41.25 40.38 3guo s ASN 81 CO 0.61 -0.34 2.16 0.00 -2.79 0.00 0.00 177.10 176.75 3guo h ALA 82 N 8.19 1.16 0.12 1.71 0.00 -1.88 -0.17 119.26 128.39 3guo h ALA 82 Ca -0.29 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3guo h ALA 82 Cb 1.14 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.94 3guo h ALA 82 CO 0.72 0.06 -0.77 0.87 0.00 0.00 0.00 179.25 180.13 3guo h LYS 83 N 0.00 0.31 0.11 0.00 1.57 -1.93 -3.40 116.57 113.24 3guo h LYS 83 Ca -0.00 -0.50 -0.23 0.00 -1.87 0.00 0.00 60.65 58.05 3guo h LYS 83 Cb 0.24 0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.76 3guo h LYS 83 CO 0.01 1.22 -0.97 -0.07 -0.57 0.00 0.00 179.45 179.07 3guo h LEU 84 N -0.35 0.66 0.02 2.94 3.38 -1.69 -3.37 115.31 116.90 3guo h LEU 84 Ca -0.13 -0.86 0.03 0.00 0.09 0.00 0.00 57.88 57.01 3guo h LEU 84 Cb 1.59 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 3guo h LEU 84 CO 0.15 1.46 -0.21 0.50 0.09 0.00 0.00 178.44 180.43 3guo h LYS 85 N -0.04 -0.33 0.00 1.13 3.64 -1.01 0.23 116.57 120.20 3guo h LYS 85 Ca -0.15 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3guo h LYS 85 Cb 1.71 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.60 3guo h LYS 85 CO 0.19 -0.22 -0.08 -1.00 -2.27 0.00 0.00 179.45 176.06 3guo h PRO 86 N -0.34 0.00 0.06 1.90 0.13 -1.77 0.82 132.00 132.80 3guo h PRO 86 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.08 3guo h PRO 86 Cb 0.41 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.55 3guo h PRO 86 CO -0.18 0.08 -0.45 0.28 -0.23 0.00 0.00 178.00 177.50 3guo h VAL 87 N 0.00 1.60 -0.63 1.56 2.07 -1.41 -3.07 116.25 116.37 3guo h VAL 87 Ca -0.00 -2.34 0.13 0.00 0.82 0.00 0.00 66.70 65.31 3guo h VAL 87 Cb 0.30 3.14 -0.10 0.00 -1.52 0.00 0.00 31.29 33.11 3guo h VAL 87 CO 0.01 0.64 0.09 0.22 0.02 0.00 0.00 177.57 178.56 3guo h TYR 88 N -0.57 0.13 0.00 1.57 3.20 -0.25 -2.72 116.97 118.33 3guo h TYR 88 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3guo h TYR 88 Cb 1.31 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3guo h TYR 88 CO 0.22 -0.09 0.00 -0.44 -1.64 0.00 0.00 178.16 176.21 3guo h ASP 89 N 0.21 0.00 1.81 -2.11 3.32 -0.87 -2.28 116.42 116.50 3guo h ASP 89 Ca 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 3guo h ASP 89 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3guo h ASP 89 CO -0.47 0.00 -0.07 0.77 -1.72 0.00 0.00 179.24 177.75 3guo h SER 90 N 0.00 0.00 -3.96 6.45 4.64 -1.38 -3.46 113.55 115.84 3guo h SER 90 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3guo h SER 90 Cb 0.54 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.67 3guo h SER 90 CO 0.00 0.07 0.44 -0.76 -0.87 0.00 0.00 176.83 175.71 3guo s LEU 91 N -6.26 4.14 0.94 5.97 1.43 -0.86 -5.05 118.68 118.99 3guo s LEU 91 Ca 0.06 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 3guo s LEU 91 Cb 0.06 -4.15 0.15 0.00 0.03 0.00 0.00 46.19 42.28 3guo s LEU 91 CO 0.67 -0.59 1.10 1.51 0.23 0.00 0.00 176.35 179.26 3guo s ASP 92 N -1.43 3.15 0.27 2.29 -4.77 -1.26 -4.75 116.67 110.17 3guo s ASP 92 Ca 0.58 1.31 -0.03 0.00 -3.30 0.00 0.00 52.55 51.11 3guo s ASP 92 Cb -0.25 -1.98 0.58 0.00 -1.09 0.00 0.00 42.92 40.18 3guo s ASP 92 CO 0.31 -2.82 1.62 0.00 0.70 0.00 0.00 175.17 174.99 3guo h ALA 93 N -1.67 0.99 0.13 2.11 0.00 -1.97 -1.56 119.26 117.29 3guo h ALA 93 Ca -0.52 0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3guo h ALA 93 Cb 1.31 0.44 0.02 0.00 0.00 0.00 0.00 17.79 19.56 3guo h ALA 93 CO 0.57 -0.47 -0.85 0.28 0.00 0.00 0.00 179.25 178.78 3guo h VAL 94 N 0.11 1.47 -0.28 0.00 2.07 -1.92 -3.11 116.25 114.59 3guo h VAL 94 Ca 0.49 -2.48 0.04 0.00 0.82 0.00 0.00 66.70 65.57 3guo h VAL 94 Cb 0.94 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3guo h VAL 94 CO -0.73 0.71 0.19 0.03 0.02 0.00 0.00 177.57 177.79 3guo h ARG 95 N -0.27 0.20 -1.93 1.57 3.08 -1.77 -2.70 114.38 112.57 3guo h ARG 95 Ca -0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3guo h ARG 95 Cb 1.65 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.65 3guo h ARG 95 CO 0.16 0.13 0.00 0.54 -1.07 0.00 0.00 179.97 179.73 3guo n ARG 96 N -4.49 0.08 0.00 0.04 1.74 -0.62 -1.05 116.66 112.37 3guo n ARG 96 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3guo n ARG 96 Cb 0.20 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 3guo n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3guo n ALA 98 N 1.05 0.00 -0.16 7.54 0.00 -1.02 -0.84 120.51 127.08 3guo n ALA 98 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3guo n ALA 98 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 3guo n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3guo h ALA 99 N 0.00 0.61 -0.44 0.00 0.00 -1.39 0.51 119.26 118.54 3guo h ALA 99 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3guo h ALA 99 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3guo h ALA 99 CO 0.00 0.32 0.17 0.82 0.00 0.00 0.00 179.25 180.57 3guo h ILE 100 N 0.62 1.21 -0.22 0.00 2.04 -1.26 -2.54 117.51 117.36 3guo h ILE 100 Ca 0.14 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3guo h ILE 100 Cb 0.37 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3guo h ILE 100 CO 0.01 0.24 0.13 -1.13 0.00 0.00 0.00 178.15 177.39 3guo h ASN 101 N 0.57 0.22 -0.82 1.72 -0.73 -1.78 0.83 115.58 115.59 3guo h ASN 101 Ca 0.15 -0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.43 3guo h ASN 101 Cb 0.20 -0.05 -0.08 0.00 0.27 0.00 0.00 38.32 38.66 3guo h ASN 101 CO -0.01 0.16 0.45 -0.08 -0.37 0.00 0.00 177.43 177.58 3guo h GLU 102 N 0.27 0.71 -0.19 6.67 4.81 -0.81 -1.83 114.58 124.20 3guo h GLU 102 Ca 0.08 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 3guo h GLU 102 Cb -0.01 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3guo h GLU 102 CO -0.03 0.47 -0.39 0.28 -0.73 0.00 0.00 179.01 178.60 3guo h VAL 103 N 0.73 1.33 -0.73 0.32 2.07 -1.16 -0.81 116.25 118.00 3guo h VAL 103 Ca 0.41 -1.62 0.15 0.00 0.82 0.00 0.00 66.70 66.46 3guo h VAL 103 Cb 0.45 1.88 -0.10 0.00 -1.52 0.00 0.00 31.29 32.00 3guo h VAL 103 CO -0.28 0.50 0.24 0.15 0.02 0.00 0.00 177.57 178.19 3guo h PHE 104 N 0.28 0.39 0.03 1.57 3.04 -0.55 0.20 116.94 121.90 3guo h PHE 104 Ca 0.01 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 3guo h PHE 104 Cb 0.99 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 39.45 3guo h PHE 104 CO 0.09 -0.01 -0.37 1.96 -2.02 0.00 0.00 178.31 177.96 3guo h GLN 105 N 0.35 0.20 -0.22 1.11 4.20 -1.33 -3.39 115.11 116.03 3guo h GLN 105 Ca 0.41 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3guo h GLN 105 Cb 0.65 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3guo h GLN 105 CO -0.45 1.03 0.00 -1.33 -0.67 0.00 0.00 178.83 177.41 3guo n MET 106 N -4.41 1.90 -0.79 1.46 2.81 -0.31 -5.10 117.12 112.69 3guo n MET 106 Ca -0.11 -1.73 0.05 0.00 -1.81 0.00 0.00 57.70 54.10 3guo n MET 106 Cb 0.59 -1.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 3guo n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3guo n GLY 107 N 0.69 -3.24 0.22 3.03 0.00 0.70 -3.72 105.19 102.87 3guo n GLY 107 Ca 0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 3guo n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3guo h VAL 108 N -0.35 0.97 -0.25 1.61 2.07 -1.94 -2.51 116.25 115.85 3guo h VAL 108 Ca -0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3guo h VAL 108 Cb 0.62 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3guo h VAL 108 CO 0.02 0.10 0.10 0.74 0.02 0.00 0.00 177.57 178.56 3guo h THR 109 N 0.56 1.17 0.58 2.57 2.02 -1.97 -0.15 112.91 117.68 3guo h THR 109 Ca 0.24 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3guo h THR 109 Cb 0.13 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3guo h THR 109 CO -0.15 0.17 -0.33 1.23 0.37 0.00 0.00 175.52 176.81 3guo h GLY 110 N 0.26 -0.89 0.09 2.16 0.00 -1.60 -2.88 103.07 100.20 3guo h GLY 110 Ca 0.08 0.36 0.08 0.00 0.00 0.00 0.00 47.33 47.85 3guo h GLY 110 CO -0.01 -0.33 -0.19 -2.08 0.00 0.00 0.00 176.54 173.94 3guo h VAL 111 N -0.84 0.45 -0.09 4.60 2.07 -1.34 -2.48 116.25 118.63 3guo h VAL 111 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3guo h VAL 111 Cb 0.67 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3guo h VAL 111 CO 0.09 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.78 3guo h ALA 112 N 1.12 1.65 0.00 1.67 0.00 -0.93 -1.87 119.26 120.90 3guo h ALA 112 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3guo h ALA 112 Cb 0.41 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3guo h ALA 112 CO -0.44 -0.15 -0.27 0.78 0.00 0.00 0.00 179.25 179.17 3guo h GLY 113 N 0.00 0.00 -6.39 0.00 0.00 -1.22 -3.36 103.07 92.10 3guo h GLY 113 Ca 0.04 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.71 3guo h GLY 113 CO -0.00 0.00 2.55 0.69 0.00 0.00 0.00 176.54 179.78 3guo n PHE 114 N -3.43 2.59 -0.09 5.60 3.01 -0.70 -4.77 117.46 119.66 3guo n PHE 114 Ca 0.00 -2.24 -0.08 0.00 1.01 0.00 0.00 57.45 56.14 3guo n PHE 114 Cb 0.46 -2.08 -0.00 0.00 -0.01 0.00 0.00 39.48 37.85 3guo n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3guo h THR 115 N 4.41 1.01 -0.06 4.37 2.02 -1.83 -2.51 112.91 120.31 3guo h THR 115 Ca 0.47 -0.12 -0.21 0.00 0.77 0.00 0.00 66.41 67.31 3guo h THR 115 Cb 0.68 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3guo h THR 115 CO 1.89 0.06 -0.80 0.78 0.37 0.00 0.00 175.52 177.83 3guo h ASN 116 N 0.35 0.81 -0.64 4.18 4.21 -1.95 -2.71 115.58 119.82 3guo h ASN 116 Ca 0.13 -0.69 0.13 0.00 1.21 0.00 0.00 56.30 57.08 3guo h ASN 116 Cb 0.03 -0.24 -0.10 0.00 -1.12 0.00 0.00 38.32 36.88 3guo h ASN 116 CO -0.08 1.39 0.07 0.58 -1.29 0.00 0.00 177.43 178.09 3guo h VAL 117 N 0.30 0.52 -0.83 2.81 2.07 -1.95 0.70 116.25 119.87 3guo h VAL 117 Ca -0.08 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3guo h VAL 117 Cb 1.45 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 3guo h VAL 117 CO 0.16 0.03 0.49 -0.07 0.02 0.00 0.00 177.57 178.21 3guo h LEU 118 N 0.18 0.74 -0.33 2.57 3.38 -1.31 0.12 115.31 120.65 3guo h LEU 118 Ca 0.34 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 3guo h LEU 118 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3guo h LEU 118 CO -0.50 0.45 -0.16 -0.09 0.09 0.00 0.00 178.44 178.22 3guo h ARG 119 N 0.87 0.70 -0.73 1.13 2.43 -1.00 -1.12 114.38 116.66 3guo h ARG 119 Ca 0.38 -0.31 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3guo h ARG 119 Cb 0.27 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 3guo h ARG 119 CO -0.21 0.91 0.44 0.52 -1.51 0.00 0.00 179.97 180.12 3guo h MET 120 N 0.47 0.81 -0.74 0.20 2.86 -0.51 -0.49 114.93 117.53 3guo h MET 120 Ca 0.07 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3guo h MET 120 Cb 0.70 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3guo h MET 120 CO 0.05 0.53 0.34 -0.07 1.06 0.00 0.00 176.91 178.82 3guo h LEU 121 N 0.83 0.99 -0.71 1.22 3.38 -0.70 0.61 115.31 120.92 3guo h LEU 121 Ca 0.31 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3guo h LEU 121 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3guo h LEU 121 CO -0.15 0.87 -0.40 -0.61 0.09 0.00 0.00 178.44 178.24 3guo h GLN 122 N 1.05 0.52 -0.02 1.13 4.15 -0.72 -2.13 115.11 119.09 3guo h GLN 122 Ca 0.25 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3guo h GLN 122 Cb 0.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3guo h GLN 122 CO -0.03 0.84 0.00 1.04 -1.93 0.00 0.00 178.83 178.75 3guo n GLN 123 N -4.03 1.31 -2.88 1.69 6.02 -0.23 -4.91 117.38 114.34 3guo n GLN 123 Ca -0.02 -0.45 -0.13 0.00 -0.01 0.00 0.00 57.00 56.39 3guo n GLN 123 Cb 0.51 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 30.35 3guo n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3guo n LYS 124 N -0.43 -3.60 -2.84 -1.09 5.02 -0.67 -4.94 118.16 109.61 3guo n LYS 124 Ca 0.20 0.51 -0.43 0.00 -2.02 0.00 0.00 58.31 56.56 3guo n LYS 124 Cb 0.21 -4.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 3guo n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3guo n ARG 125 N -2.84 3.76 -0.12 1.97 1.74 0.20 -4.83 116.66 116.55 3guo n ARG 125 Ca -0.04 -4.04 -0.12 0.00 -0.77 0.00 0.00 57.85 52.88 3guo n ARG 125 Cb 0.55 -2.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.19 3guo n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3guo h TRP 126 N 6.18 0.84 -0.46 -1.55 -0.00 -1.88 -2.42 115.95 116.65 3guo h TRP 126 Ca 0.29 -0.21 0.01 0.00 -0.00 0.00 0.00 58.89 58.98 3guo h TRP 126 Cb 0.73 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.67 3guo h TRP 126 CO 1.06 0.93 0.30 -0.44 -0.00 0.00 0.00 178.44 180.29 3guo h ASP 127 N 0.51 0.51 -0.04 -3.49 5.19 -1.88 -2.31 116.42 114.90 3guo h ASP 127 Ca 0.08 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3guo h ASP 127 Cb 0.71 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 3guo h ASP 127 CO 0.05 0.37 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.19 3guo h GLU 128 N 0.61 0.09 -0.51 3.56 5.08 -1.92 -2.28 114.58 119.21 3guo h GLU 128 Ca 0.17 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3guo h GLU 128 Cb -0.06 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.09 3guo h GLU 128 CO -0.05 0.46 -0.20 0.00 -1.00 0.00 0.00 179.01 178.22 3guo h ALA 129 N 0.63 0.19 -0.67 3.43 0.00 -1.46 0.26 119.26 121.63 3guo h ALA 129 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3guo h ALA 129 Cb 0.43 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3guo h ALA 129 CO 0.01 -0.53 0.25 0.00 0.00 0.00 0.00 179.25 178.97 3guo h ALA 130 N 1.29 1.18 -0.65 0.00 0.00 -1.35 0.47 119.26 120.19 3guo h ALA 130 Ca 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3guo h ALA 130 Cb 0.46 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3guo h ALA 130 CO -0.57 0.59 0.22 0.28 0.00 0.00 0.00 179.25 179.77 3guo h VAL 131 N 0.97 1.25 0.00 0.00 2.07 -0.78 0.11 116.25 119.87 3guo h VAL 131 Ca 0.22 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 3guo h VAL 131 Cb 0.22 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3guo h VAL 131 CO -0.02 0.32 -0.65 0.78 0.02 0.00 0.00 177.57 178.02 3guo h ASN 132 N 0.93 0.00 0.08 0.57 2.35 0.60 -2.98 115.58 117.13 3guo h ASN 132 Ca 0.21 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.75 3guo h ASN 132 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3guo h ASN 132 CO -0.01 0.65 -0.80 -0.07 -1.65 0.00 0.00 177.43 175.55 3guo h LEU 133 N 0.00 0.72 0.00 1.61 3.38 -0.08 -3.08 115.31 117.85 3guo h LEU 133 Ca -0.01 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3guo h LEU 133 Cb 1.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3guo h LEU 133 CO 0.09 1.26 0.00 0.00 0.09 0.00 0.00 178.44 179.88 3guo n ALA 134 N -2.56 1.67 -0.09 1.53 0.00 0.02 -2.35 120.51 118.72 3guo n ALA 134 Ca -0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3guo n ALA 134 Cb 0.75 -1.15 -0.16 0.00 0.00 0.00 0.00 19.45 18.90 3guo n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3guo n LYS 135 N -1.20 0.68 -1.12 0.00 5.02 -1.16 -4.73 118.16 115.65 3guo n LYS 135 Ca 0.05 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 3guo n LYS 135 Cb 0.06 -1.56 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3guo n LYS 135 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3guo n SER 136 N -2.80 -3.70 -0.07 4.39 3.41 -0.99 -4.69 113.62 109.17 3guo n SER 136 Ca -0.31 0.44 -0.07 0.00 -0.26 0.00 0.00 58.87 58.67 3guo n SER 136 Cb 1.14 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3guo n SER 136 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3guo h ARG 137 N -0.60 -0.05 -0.97 4.33 2.43 -1.95 -2.52 114.38 115.05 3guo h ARG 137 Ca -0.43 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.89 3guo h ARG 137 Cb 1.35 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.76 3guo h ARG 137 CO 0.35 -0.03 -0.37 1.87 -1.51 0.00 0.00 179.97 180.27 3guo n TRP 138 N -5.28 0.05 0.08 2.20 -0.00 -1.26 0.31 117.44 113.53 3guo n TRP 138 Ca -0.00 1.19 -0.13 0.00 -0.00 0.00 0.00 57.50 58.56 3guo n TRP 138 Cb 0.20 -0.87 -0.08 0.00 -0.00 0.00 0.00 31.31 30.55 3guo n TRP 138 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 3guo h TYR 139 N 0.00 -0.17 -0.65 5.87 3.20 -1.69 0.28 116.97 123.81 3guo h TYR 139 Ca 0.34 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 3guo h TYR 139 Cb 0.59 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 3guo h TYR 139 CO -0.84 0.13 0.25 -0.91 -1.64 0.00 0.00 178.16 175.14 3guo h ASN 140 N -0.47 0.89 0.38 -2.11 2.35 -1.17 -2.20 115.58 113.24 3guo h ASN 140 Ca -0.02 -0.13 -0.30 0.00 -0.55 0.00 0.00 56.30 55.30 3guo h ASN 140 Cb 0.37 -0.23 0.02 0.00 0.05 0.00 0.00 38.32 38.54 3guo h ASN 140 CO 0.03 0.80 -1.30 1.56 -1.65 0.00 0.00 177.43 176.88 3guo h GLN 141 N 0.95 0.45 -1.99 0.81 1.08 -0.17 -3.39 115.11 112.84 3guo h GLN 141 Ca 0.22 -0.70 -0.55 0.00 -1.45 0.00 0.00 58.65 56.17 3guo h GLN 141 Cb 0.20 0.25 -0.41 0.00 -0.05 0.00 0.00 27.48 27.47 3guo h GLN 141 CO -0.02 1.32 -0.81 0.00 -0.95 0.00 0.00 178.83 178.37 3guo h PRO 143 N 2.91 0.10 0.00 0.00 0.11 -1.58 -1.23 132.00 132.31 3guo h PRO 143 Ca 0.14 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.02 3guo h PRO 143 Cb 0.72 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 3guo h PRO 143 CO 0.74 0.55 -1.28 -0.44 -0.21 0.00 0.00 178.00 177.35 3guo h ASP 144 N 0.08 0.00 1.63 -2.05 3.32 -1.93 -1.52 116.42 115.96 3guo h ASP 144 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3guo h ASP 144 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3guo h ASP 144 CO 0.07 0.69 0.00 -0.09 -1.72 0.00 0.00 179.24 178.18 3guo h ARG 145 N 0.00 0.00 0.00 3.56 2.43 -1.72 -3.37 114.38 115.28 3guo h ARG 145 Ca -0.15 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.74 3guo h ARG 145 Cb 1.66 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.15 3guo h ARG 145 CO 0.06 0.00 -2.05 0.00 -1.51 0.00 0.00 179.97 176.47 3guo n ALA 146 N -1.97 1.61 -0.30 2.80 0.00 -0.50 -4.71 120.51 117.44 3guo n ALA 146 Ca 0.04 -0.85 0.08 0.00 0.00 0.00 0.00 53.44 52.72 3guo n ALA 146 Cb 0.45 0.03 0.20 0.00 0.00 0.00 0.00 19.45 20.13 3guo n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3guo h LYS 147 N 0.00 0.05 -0.01 0.00 2.10 -1.44 -1.02 116.57 116.24 3guo h LYS 147 Ca -0.41 -0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.08 3guo h LYS 147 Cb 1.72 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 33.02 3guo h LYS 147 CO -0.04 0.03 -0.71 0.00 -2.00 0.00 0.00 179.45 176.73 3guo h ARG 148 N 0.05 0.09 -0.04 0.07 3.08 -1.85 -1.07 114.38 114.70 3guo h ARG 148 Ca 0.49 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 3guo h ARG 148 Cb 0.90 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3guo h ARG 148 CO -0.82 0.76 0.01 0.28 -1.07 0.00 0.00 179.97 179.13 3guo h VAL 149 N 0.06 1.20 -0.48 2.04 2.07 -1.50 -1.25 116.25 118.38 3guo h VAL 149 Ca -0.01 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3guo h VAL 149 Cb 1.26 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3guo h VAL 149 CO 0.10 0.17 0.23 0.40 0.02 0.00 0.00 177.57 178.49 3guo h ILE 150 N -0.16 1.19 -0.64 4.57 2.04 -1.24 -1.49 117.51 121.77 3guo h ILE 150 Ca 0.01 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3guo h ILE 150 Cb 0.26 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3guo h ILE 150 CO 0.00 0.21 0.32 0.74 0.00 0.00 0.00 178.15 179.42 3guo h THR 151 N 0.64 1.21 -0.37 -0.27 2.02 -1.18 -2.32 112.91 112.63 3guo h THR 151 Ca 0.17 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 3guo h THR 151 Cb 0.11 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3guo h THR 151 CO -0.02 0.24 -0.05 0.74 0.37 0.00 0.00 175.52 176.79 3guo h THR 152 N 0.90 1.23 -0.33 3.16 2.02 -0.45 -2.18 112.91 117.27 3guo h THR 152 Ca 0.22 -0.97 -0.11 0.00 0.77 0.00 0.00 66.41 66.33 3guo h THR 152 Cb 0.08 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3guo h THR 152 CO -0.03 0.33 -0.23 -0.26 0.37 0.00 0.00 175.52 175.69 3guo h PHE 153 N 0.57 0.73 -0.26 3.16 0.04 -0.79 0.18 116.94 120.58 3guo h PHE 153 Ca 0.11 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 3guo h PHE 153 Cb 0.44 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3guo h PHE 153 CO 0.02 0.82 0.01 -0.09 -0.60 0.00 0.00 178.31 178.47 3guo h ARG 154 N 0.57 0.46 0.00 1.51 2.43 -0.93 -3.39 114.38 115.02 3guo h ARG 154 Ca 0.08 -0.14 -0.37 0.00 -0.81 0.00 0.00 59.98 58.74 3guo h ARG 154 Cb 0.70 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 3guo h ARG 154 CO 0.05 0.61 -2.40 0.25 -1.51 0.00 0.00 179.97 176.98 3guo n THR 155 N -4.63 1.40 -1.11 0.20 -2.24 -0.87 -4.73 114.28 102.30 3guo n THR 155 Ca -0.03 -0.78 -0.04 0.00 -2.27 0.00 0.00 64.05 60.93 3guo n THR 155 Cb 0.24 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 3guo n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3guo n GLY 156 N 1.89 0.66 3.76 3.38 0.00 0.05 -5.02 105.19 109.91 3guo n GLY 156 Ca -0.36 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 3guo n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3guo s THR 157 N -2.08 1.60 -2.44 2.61 -4.23 -1.26 -4.73 115.64 105.10 3guo s THR 157 Ca 0.00 -1.86 0.22 0.00 -1.18 0.00 0.00 61.69 58.87 3guo s THR 157 Cb 0.00 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.81 3guo s THR 157 CO 0.00 0.00 1.46 0.79 -0.54 0.00 0.00 174.62 176.33 3guo n TRP 158 N -1.29 0.32 -0.06 3.99 7.02 -1.26 -4.63 117.44 121.53 3guo n TRP 158 Ca -0.10 -0.16 0.18 0.00 -1.02 0.00 0.00 57.50 56.40 3guo n TRP 158 Cb 0.66 0.00 0.63 0.00 -2.42 0.00 0.00 31.31 30.18 3guo n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3guo h ASP 159 N 3.47 0.13 -0.00 -0.99 3.32 -1.97 -0.02 116.42 120.36 3guo h ASP 159 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3guo h ASP 159 Cb 0.76 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3guo h ASP 159 CO 0.00 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 3guo h ALA 160 N 1.70 1.07 -0.16 3.45 0.00 -1.91 -2.80 119.26 120.61 3guo h ALA 160 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3guo h ALA 160 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3guo h ALA 160 CO -0.04 -0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.87 3guo n TYR 161 N -3.17 0.20 1.48 0.00 4.02 -0.02 -4.97 117.16 114.70 3guo n TYR 161 Ca -0.03 -0.18 0.14 0.00 -0.01 0.00 0.00 57.90 57.82 3guo n TYR 161 Cb 0.08 -0.01 0.51 0.00 -0.02 0.00 0.00 39.34 39.90 3guo n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02