#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5j s VAL 3 N 0.00 1.67 -0.01 2.46 1.01 -1.26 -0.91 120.40 123.36 3g5j s VAL 3 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 3g5j s VAL 3 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.92 3g5j s VAL 3 CO 0.00 0.19 0.08 -0.51 0.00 0.00 0.00 175.10 174.86 3g5j s ILE 4 N -0.83 0.05 0.32 2.22 2.07 0.70 -4.85 121.20 120.89 3g5j s ILE 4 Ca 0.07 -0.44 -0.21 0.00 -1.41 0.00 0.00 60.65 58.67 3g5j s ILE 4 Cb -0.09 -0.27 -0.10 0.00 0.13 0.00 0.00 42.46 42.14 3g5j s ILE 4 CO 0.02 -0.24 0.86 -0.54 -1.91 0.00 0.00 174.94 173.13 3g5j s LYS 5 N -0.77 4.31 0.26 3.50 1.02 -1.26 -0.62 119.74 126.19 3g5j s LYS 5 Ca -0.09 1.05 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 3g5j s LYS 5 Cb -0.05 -2.60 0.50 0.00 -0.52 0.00 0.00 37.83 35.16 3g5j s LYS 5 CO 0.00 0.21 1.79 0.97 -0.92 0.00 0.00 175.35 177.40 3g5j h ILE 6 N 2.35 0.82 -0.98 2.17 6.09 -1.93 -0.22 117.51 125.80 3g5j h ILE 6 Ca -0.48 -0.26 0.09 0.00 -1.37 0.00 0.00 64.86 62.85 3g5j h ILE 6 Cb 1.19 0.01 -0.08 0.00 0.47 0.00 0.00 36.82 38.41 3g5j h ILE 6 CO 0.64 0.14 0.62 -0.33 -3.07 0.00 0.00 178.15 176.15 3g5j h GLU 7 N 0.75 1.02 0.18 2.19 3.07 -1.96 -1.66 114.58 118.18 3g5j h GLU 7 Ca 0.45 -0.06 -0.31 0.00 -0.50 0.00 0.00 59.36 58.94 3g5j h GLU 7 Cb 0.55 -0.23 0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3g5j h GLU 7 CO -0.31 0.68 -1.33 -0.22 -1.40 0.00 0.00 179.01 176.42 3g5j h LYS 8 N 1.05 0.58 -0.82 2.33 3.64 -1.70 -3.35 116.57 118.31 3g5j h LYS 8 Ca 0.46 -0.87 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 3g5j h LYS 8 Cb 0.34 0.31 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 3g5j h LYS 8 CO -0.22 1.41 0.53 0.00 -2.27 0.00 0.00 179.45 178.89 3g5j h ALA 9 N 0.22 1.07 0.00 5.00 0.00 -0.51 -1.03 119.26 124.01 3g5j h ALA 9 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3g5j h ALA 9 Cb 2.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3g5j h ALA 9 CO 0.25 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 3g5j h LEU 10 N 1.05 0.00 -2.06 0.00 3.38 -1.45 -2.38 115.31 113.84 3g5j h LEU 10 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3g5j h LEU 10 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3g5j h LEU 10 CO -0.10 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.72 3g5j n LYS 11 N -2.63 2.36 -2.48 1.13 5.02 -0.40 -4.97 118.16 116.20 3g5j n LYS 11 Ca -0.01 -2.04 -0.38 0.00 -2.02 0.00 0.00 58.31 53.87 3g5j n LYS 11 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3g5j n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g5j s LEU 12 N -1.60 4.30 0.18 -0.35 1.43 -0.90 -4.99 118.68 116.75 3g5j s LEU 12 Ca 0.36 2.17 -0.30 0.00 -1.03 0.00 0.00 54.13 55.33 3g5j s LEU 12 Cb 0.22 -3.95 -0.08 0.00 0.03 0.00 0.00 46.19 42.40 3g5j s LEU 12 CO 0.31 -0.39 1.17 -0.62 0.23 0.00 0.00 176.35 177.05 3g5j s ASP 13 N -1.24 7.13 -1.11 2.29 2.15 -1.26 -4.04 116.67 120.59 3g5j s ASP 13 Ca 0.53 2.19 -0.12 0.00 0.43 0.00 0.00 52.55 55.59 3g5j s ASP 13 Cb -0.27 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.71 3g5j s ASP 13 CO 0.34 -0.33 0.85 0.29 -0.17 0.00 0.00 175.17 176.15 3g5j n LYS 14 N 2.46 -2.18 -4.22 4.34 5.02 -1.26 -4.27 118.16 118.05 3g5j n LYS 14 Ca 0.04 0.68 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 3g5j n LYS 14 Cb 0.45 -5.07 -0.08 0.00 -0.02 0.00 0.00 35.03 30.30 3g5j n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g5j s VAL 15 N -3.44 4.38 -0.05 -0.18 0.11 -1.26 -1.00 120.40 118.96 3g5j s VAL 15 Ca 0.41 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 59.00 3g5j s VAL 15 Cb -0.10 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3g5j s VAL 15 CO 0.80 0.39 -0.16 -0.51 -3.33 0.00 0.00 175.10 172.29 3g5j s ILE 16 N -1.11 1.32 -0.14 7.04 1.10 -0.26 -4.98 121.20 124.18 3g5j s ILE 16 Ca 0.20 -0.64 -0.12 0.00 -0.51 0.00 0.00 60.65 59.58 3g5j s ILE 16 Cb -0.12 -1.15 -0.05 0.00 0.15 0.00 0.00 42.46 41.30 3g5j s ILE 16 CO 0.11 0.39 0.25 -0.36 -2.11 0.00 0.00 174.94 173.21 3g5j s PHE 17 N 0.18 3.50 -0.20 3.50 0.08 -1.26 -0.89 117.98 122.89 3g5j s PHE 17 Ca -0.06 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.57 3g5j s PHE 17 Cb -0.12 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 3g5j s PHE 17 CO 0.02 0.38 -0.15 0.08 -0.10 0.00 0.00 175.22 175.45 3g5j s VAL 18 N 0.03 2.37 -0.33 -0.44 1.01 0.41 -1.40 120.40 122.05 3g5j s VAL 18 Ca 0.15 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3g5j s VAL 18 Cb -0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3g5j s VAL 18 CO 0.04 0.42 0.53 -0.62 0.00 0.00 0.00 175.10 175.47 3g5j s ASP 19 N 1.30 6.35 -0.00 3.32 -1.08 0.11 -1.32 116.67 125.36 3g5j s ASP 19 Ca 0.03 0.10 0.18 0.00 -0.52 0.00 0.00 52.55 52.33 3g5j s ASP 19 Cb -0.14 -2.28 0.51 0.00 -1.46 0.00 0.00 42.92 39.55 3g5j s ASP 19 CO -0.10 -0.46 1.42 1.33 0.52 0.00 0.00 175.17 177.89 3g5j n VAL 20 N 5.40 0.77 -1.30 1.11 0.24 -0.41 -4.21 118.33 119.93 3g5j n VAL 20 Ca -0.04 -0.77 -0.29 0.00 -2.04 0.00 0.00 64.34 61.20 3g5j n VAL 20 Cb 0.49 0.38 0.19 0.00 -1.47 0.00 0.00 33.84 33.43 3g5j n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3g5j s ARG 21 N -1.24 -0.03 0.95 7.34 0.52 -1.26 -1.86 118.95 123.37 3g5j s ARG 21 Ca 0.38 0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.62 3g5j s ARG 21 Cb 0.20 -1.72 0.16 0.00 0.52 0.00 0.00 34.95 34.11 3g5j s ARG 21 CO 0.26 -2.96 1.09 0.95 0.02 0.00 0.00 175.30 174.67 3g5j s THR 22 N -3.15 2.43 0.32 0.02 -4.23 -1.26 -4.12 115.64 105.66 3g5j s THR 22 Ca 0.68 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 3g5j s THR 22 Cb -0.13 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.56 3g5j s THR 22 CO 0.56 -0.18 1.98 -0.33 -0.54 0.00 0.00 174.62 176.10 3g5j h GLU 23 N -1.83 0.96 -0.45 3.99 5.08 -1.95 -0.57 114.58 119.81 3g5j h GLU 23 Ca -0.50 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3g5j h GLU 23 Cb 1.29 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3g5j h GLU 23 CO 0.50 0.63 0.26 0.78 -1.00 0.00 0.00 179.01 180.18 3g5j h GLY 24 N 0.98 0.62 0.89 -3.84 0.00 -1.95 -0.20 103.07 99.58 3g5j h GLY 24 Ca 0.28 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 3g5j h GLY 24 CO -0.07 0.16 -0.51 0.83 0.00 0.00 0.00 176.54 176.96 3g5j h GLU 25 N 0.52 0.54 -0.56 4.80 5.08 -1.80 -2.81 114.58 120.34 3g5j h GLU 25 Ca 0.18 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3g5j h GLU 25 Cb 0.03 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3g5j h GLU 25 CO -0.09 1.06 0.31 -0.92 -1.00 0.00 0.00 179.01 178.36 3g5j h TYR 26 N 0.14 0.76 -0.37 4.33 3.20 -1.02 -2.55 116.97 121.46 3g5j h TYR 26 Ca -0.03 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3g5j h TYR 26 Cb 1.15 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3g5j h TYR 26 CO 0.11 0.55 0.03 0.93 -1.64 0.00 0.00 178.16 178.14 3g5j h GLU 27 N 0.75 0.57 -0.03 1.82 5.08 -1.07 -3.03 114.58 118.67 3g5j h GLU 27 Ca 0.20 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3g5j h GLU 27 Cb 0.04 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3g5j h GLU 27 CO -0.03 0.57 0.00 1.49 -1.00 0.00 0.00 179.01 180.04 3g5j h GLU 28 N 0.55 0.05 -1.81 2.33 4.81 -1.19 -3.46 114.58 115.86 3g5j h GLU 28 Ca 0.12 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3g5j h GLU 28 Cb 0.31 -0.01 -0.23 0.00 0.63 0.00 0.00 28.75 29.45 3g5j h GLU 28 CO 0.01 0.29 0.29 -0.51 -0.73 0.00 0.00 179.01 178.36 3g5j s ASP 29 N -5.50 -0.60 0.22 1.04 1.01 -1.09 -5.13 116.67 106.62 3g5j s ASP 29 Ca -0.14 1.14 -0.07 0.00 0.71 0.00 0.00 52.55 54.18 3g5j s ASP 29 Cb 0.04 1.14 -0.02 0.00 1.01 0.00 0.00 42.92 45.09 3g5j s ASP 29 CO 0.68 -0.22 0.31 -1.38 0.21 0.00 0.00 175.17 174.77 3g5j s HIS 30 N 0.22 0.71 0.38 4.23 -3.43 -1.24 -4.43 115.29 111.72 3g5j s HIS 30 Ca 0.01 -1.01 -0.27 0.00 -0.80 0.00 0.00 55.06 52.99 3g5j s HIS 30 Cb -0.05 -0.15 -0.09 0.00 -1.43 0.00 0.00 32.58 30.86 3g5j s HIS 30 CO -0.02 -0.82 1.28 0.42 -2.00 0.00 0.00 174.74 173.60 3g5j s ILE 31 N -4.07 2.74 0.16 -5.38 1.01 -1.26 -4.86 121.20 109.53 3g5j s ILE 31 Ca 0.29 0.68 -0.33 0.00 0.00 0.00 0.00 60.65 61.29 3g5j s ILE 31 Cb 0.03 -3.41 -0.13 0.00 0.01 0.00 0.00 42.46 38.96 3g5j s ILE 31 CO 0.10 0.11 1.66 -0.11 0.00 0.00 0.00 174.94 176.70 3g5j n LEU 32 N 0.33 3.46 0.00 2.97 7.94 -1.26 -0.88 117.00 129.56 3g5j n LEU 32 Ca 0.03 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3g5j n LEU 32 Cb 0.43 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.91 3g5j n LEU 32 CO 0.56 -0.10 0.00 0.59 -1.11 0.00 0.00 177.39 177.33 3g5j n ASN 33 N 3.90 -2.62 -4.76 1.96 5.03 -1.26 -4.90 115.26 112.61 3g5j n ASN 33 Ca 0.17 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.25 3g5j n ASN 33 Cb 0.31 -1.62 0.02 0.00 -1.02 0.00 0.00 39.78 37.47 3g5j n ASN 33 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g5j s ALA 34 N -1.95 2.80 0.14 5.41 0.00 -0.05 -4.70 121.76 123.41 3g5j s ALA 34 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.08 3g5j s ALA 34 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3g5j s ALA 34 CO 0.00 -1.04 0.22 0.96 0.00 0.00 0.00 175.76 175.90 3g5j s ILE 35 N -1.48 5.00 0.56 0.00 -4.36 -0.49 -4.96 121.20 115.46 3g5j s ILE 35 Ca 0.70 -0.81 0.08 0.00 -0.26 0.00 0.00 60.65 60.37 3g5j s ILE 35 Cb -0.33 -3.55 0.07 0.00 1.25 0.00 0.00 42.46 39.89 3g5j s ILE 35 CO 0.38 -0.07 0.64 0.21 0.24 0.00 0.00 174.94 176.34 3g5j s ASN 36 N -3.10 4.95 -0.27 4.36 2.47 -1.26 -0.71 114.94 121.37 3g5j s ASN 36 Ca 0.33 -0.98 -0.17 0.00 0.42 0.00 0.00 52.86 52.47 3g5j s ASN 36 Cb -0.11 0.30 0.08 0.00 -1.45 0.00 0.00 41.25 40.07 3g5j s ASN 36 CO 0.26 -1.23 0.67 -2.16 -3.72 0.00 0.00 177.10 170.92 3g5j s PRO 38 N -4.51 0.70 0.13 0.43 0.04 -1.26 -4.95 135.00 125.58 3g5j s PRO 38 Ca 0.52 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 3g5j s PRO 38 Cb -0.05 0.17 -0.03 0.00 0.04 0.00 0.00 34.50 34.63 3g5j s PRO 38 CO 0.32 -0.14 1.50 -0.07 0.04 0.00 0.00 177.00 178.65 3g5j h LEU 39 N 6.71 0.90 -8.60 -3.56 3.38 -1.58 -3.45 115.31 109.11 3g5j h LEU 39 Ca -0.30 -0.42 -0.61 0.00 0.09 0.00 0.00 57.88 56.63 3g5j h LEU 39 Cb 1.22 -0.25 -0.26 0.00 0.09 0.00 0.00 40.66 41.46 3g5j h LEU 39 CO 0.16 1.13 -0.85 -0.36 0.09 0.00 0.00 178.44 178.60 3g5j s PHE 40 N -4.56 1.95 0.82 1.13 0.08 -1.26 -4.71 117.98 111.42 3g5j s PHE 40 Ca -0.12 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.44 3g5j s PHE 40 Cb 0.11 -1.16 0.09 0.00 -0.57 0.00 0.00 43.02 41.48 3g5j s PHE 40 CO 0.85 0.10 1.11 0.15 -0.10 0.00 0.00 175.22 177.33 3g5j s LYS 41 N -1.20 1.81 0.20 0.44 1.02 -1.26 -4.43 119.74 116.32 3g5j s LYS 41 Ca 0.09 1.27 -0.12 0.00 0.02 0.00 0.00 55.97 57.23 3g5j s LYS 41 Cb -0.09 -1.84 0.24 0.00 -0.52 0.00 0.00 37.83 35.62 3g5j s LYS 41 CO 0.02 -1.99 1.68 -0.91 -0.92 0.00 0.00 175.35 173.23 3g5j h ASN 42 N -1.39 -0.17 -0.23 2.83 2.35 -1.99 -0.99 115.58 115.99 3g5j h ASN 42 Ca -0.44 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.33 3g5j h ASN 42 Cb 1.25 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 3g5j h ASN 42 CO 0.48 -0.06 -0.21 -0.55 -1.65 0.00 0.00 177.43 175.44 3g5j h ASN 43 N 0.15 0.69 -0.29 5.81 -1.07 -2.00 -2.76 115.58 116.11 3g5j h ASN 43 Ca 0.28 -0.24 -0.01 0.00 0.07 0.00 0.00 56.30 56.41 3g5j h ASN 43 Cb 0.43 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.48 3g5j h ASN 43 CO -0.44 0.89 0.15 -0.33 0.07 0.00 0.00 177.43 177.78 3g5j h GLU 44 N 0.61 0.40 -0.54 4.14 5.08 -1.72 -2.29 114.58 120.26 3g5j h GLU 44 Ca 0.09 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3g5j h GLU 44 Cb 0.68 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 3g5j h GLU 44 CO 0.05 0.35 0.15 1.25 -1.00 0.00 0.00 179.01 179.81 3g5j h HIS 45 N 0.34 0.25 -0.60 4.33 2.76 -1.10 -0.76 115.15 120.39 3g5j h HIS 45 Ca 0.10 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3g5j h HIS 45 Cb 0.07 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 3g5j h HIS 45 CO -0.03 0.04 0.13 -0.91 -1.30 0.00 0.00 177.93 175.86 3g5j h ASN 46 N 0.30 0.88 -0.31 3.26 2.35 -1.25 -1.01 115.58 119.81 3g5j h ASN 46 Ca 0.27 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 3g5j h ASN 46 Cb 0.35 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3g5j h ASN 46 CO -0.32 0.86 -0.47 -0.08 -1.65 0.00 0.00 177.43 175.77 3g5j h GLU 47 N 0.89 0.87 -0.77 0.81 4.81 -0.79 -2.25 114.58 118.16 3g5j h GLU 47 Ca 0.19 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3g5j h GLU 47 Cb 0.34 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3g5j h GLU 47 CO 0.00 1.16 0.49 0.28 -0.73 0.00 0.00 179.01 180.21 3g5j h VAL 48 N 0.66 1.21 -0.53 0.32 2.07 -0.97 -0.98 116.25 118.03 3g5j h VAL 48 Ca 0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3g5j h VAL 48 Cb 1.08 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3g5j h VAL 48 CO 0.11 0.21 0.31 1.23 0.02 0.00 0.00 177.57 179.44 3g5j h GLY 49 N 1.05 0.79 0.97 2.17 0.00 -1.12 -0.52 103.07 106.41 3g5j h GLY 49 Ca 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3g5j h GLY 49 CO -0.06 0.33 -0.02 -0.84 0.00 0.00 0.00 176.54 175.96 3g5j h THR 50 N 0.71 1.26 -0.43 4.70 2.02 -1.18 -1.64 112.91 118.36 3g5j h THR 50 Ca 0.19 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.31 3g5j h THR 50 Cb 0.02 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3g5j h THR 50 CO -0.03 0.36 0.28 0.40 0.37 0.00 0.00 175.52 176.90 3g5j h ILE 51 N 0.61 1.10 -0.53 3.11 2.04 -1.08 -2.65 117.51 120.11 3g5j h ILE 51 Ca 0.12 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3g5j h ILE 51 Cb 0.52 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3g5j h ILE 51 CO 0.03 0.10 0.28 0.22 0.00 0.00 0.00 178.15 178.78 3g5j h TYR 52 N 0.56 0.52 0.00 1.37 3.20 -0.91 0.98 116.97 122.70 3g5j h TYR 52 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3g5j h TYR 52 Cb -0.05 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3g5j h TYR 52 CO -0.05 0.26 0.00 1.17 -1.64 0.00 0.00 178.16 177.90 3g5j n LYS 53 N -4.85 0.17 0.00 1.82 4.81 -0.63 -1.73 118.16 117.74 3g5j n LYS 53 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3g5j n LYS 53 Cb 0.13 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3g5j n LYS 53 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3g5j n GLN 55 N -0.54 0.00 0.00 1.64 1.13 0.33 -5.08 117.38 114.85 3g5j n GLN 55 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3g5j n GLN 55 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3g5j n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g5j n GLY 56 N -0.29 0.30 0.31 1.08 0.00 -0.71 -4.65 105.19 101.24 3g5j n GLY 56 Ca 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 3g5j n GLY 56 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g5j h LYS 57 N 0.00 0.99 -0.34 1.61 3.64 -1.88 -2.32 116.57 118.27 3g5j h LYS 57 Ca 0.00 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3g5j h LYS 57 Cb 0.00 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3g5j h LYS 57 CO 0.00 0.66 0.17 1.25 -2.27 0.00 0.00 179.45 179.25 3g5j h HIS 58 N 1.02 0.31 0.00 1.91 2.76 -1.97 0.66 115.15 119.85 3g5j h HIS 58 Ca 0.33 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.40 3g5j h HIS 58 Cb 0.03 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3g5j h HIS 58 CO -0.03 0.16 -0.54 0.93 -1.30 0.00 0.00 177.93 177.16 3g5j h GLU 59 N 0.35 0.00 -0.20 5.26 5.08 -1.80 -2.62 114.58 120.64 3g5j h GLU 59 Ca 0.14 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 3g5j h GLU 59 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3g5j h GLU 59 CO -0.10 0.54 -0.62 0.00 -1.00 0.00 0.00 179.01 177.83 3g5j h ALA 60 N 1.46 0.52 -0.43 3.43 0.00 -0.79 -2.19 119.26 121.26 3g5j h ALA 60 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3g5j h ALA 60 Cb 1.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3g5j h ALA 60 CO 0.07 0.69 0.20 0.82 0.00 0.00 0.00 179.25 181.03 3g5j h ILE 61 N 0.52 1.19 -0.47 0.00 2.04 -0.85 -0.66 117.51 119.28 3g5j h ILE 61 Ca -0.01 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.36 3g5j h ILE 61 Cb 1.21 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3g5j h ILE 61 CO 0.12 0.21 0.19 1.56 0.00 0.00 0.00 178.15 180.23 3g5j h GLN 62 N 0.56 0.37 -0.69 2.37 4.20 -1.30 -1.43 115.11 119.18 3g5j h GLN 62 Ca 0.15 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3g5j h GLN 62 Cb 0.14 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3g5j h GLN 62 CO -0.02 0.25 0.15 -0.22 -0.67 0.00 0.00 178.83 178.32 3g5j h LYS 63 N 0.38 1.12 -0.42 1.46 1.63 -1.04 -2.18 116.57 117.53 3g5j h LYS 63 Ca 0.22 -0.27 0.09 0.00 -0.85 0.00 0.00 60.65 59.83 3g5j h LYS 63 Cb 0.20 -0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 31.60 3g5j h LYS 63 CO -0.20 0.99 -0.16 0.78 -3.45 0.00 0.00 179.45 177.41 3g5j h GLY 64 N 1.07 0.19 0.50 5.01 0.00 -0.71 -1.66 103.07 107.48 3g5j h GLY 64 Ca 0.22 0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.86 3g5j h GLY 64 CO 0.00 -0.19 0.63 0.74 0.00 0.00 0.00 176.54 177.73 3g5j h PHE 65 N -0.07 1.14 -0.98 5.60 0.04 -0.92 -0.27 116.94 121.48 3g5j h PHE 65 Ca 0.20 0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.05 3g5j h PHE 65 Cb 0.38 -0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 3g5j h PHE 65 CO -0.41 0.47 0.63 -0.44 -0.60 0.00 0.00 178.31 177.96 3g5j h ASP 66 N 1.01 1.04 0.91 2.17 3.32 -0.70 -1.97 116.42 122.20 3g5j h ASP 66 Ca 0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3g5j h ASP 66 Cb 0.45 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3g5j h ASP 66 CO -0.26 0.69 -1.04 -1.22 -1.72 0.00 0.00 179.24 175.69 3g5j n TYR 67 N -4.49 0.87 0.00 4.55 4.01 -0.72 -4.56 117.16 116.82 3g5j n TYR 67 Ca 0.14 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 3g5j n TYR 67 Cb 0.13 -0.90 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 3g5j n TYR 67 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3g5j n VAL 68 N -2.59 0.00 0.02 -0.72 0.24 -0.19 -4.74 118.33 110.35 3g5j n VAL 68 Ca 0.00 -0.29 0.02 0.00 -2.04 0.00 0.00 64.34 62.03 3g5j n VAL 68 Cb 0.54 0.79 0.38 0.00 -1.47 0.00 0.00 33.84 34.08 3g5j n VAL 68 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3g5j h SER 69 N 0.00 0.43 1.51 -1.34 4.64 -1.56 -0.59 113.55 116.64 3g5j h SER 69 Ca 0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3g5j h SER 69 Cb 0.00 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3g5j h SER 69 CO 0.00 0.42 -0.19 0.10 -0.87 0.00 0.00 176.83 176.30 3g5j h TYR 70 N 0.47 0.00 0.00 4.77 -0.00 -1.86 -3.15 116.97 117.20 3g5j h TYR 70 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.84 3g5j h TYR 70 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 3g5j h TYR 70 CO 0.01 0.19 -0.01 1.63 -0.00 0.00 0.00 178.16 179.97 3g5j n LYS 71 N -3.19 0.06 -0.06 0.10 5.02 -0.25 -4.39 118.16 115.46 3g5j n LYS 71 Ca 0.02 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.25 3g5j n LYS 71 Cb 0.54 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3g5j n LYS 71 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3g5j h LEU 72 N 0.00 0.82 -0.83 -0.35 3.38 -1.47 -2.35 115.31 114.51 3g5j h LEU 72 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3g5j h LEU 72 Cb 0.56 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3g5j h LEU 72 CO 0.00 1.15 0.54 0.50 0.09 0.00 0.00 178.44 180.71 3g5j h LYS 73 N 0.60 1.10 -0.45 1.13 3.64 -1.82 -1.44 116.57 119.33 3g5j h LYS 73 Ca 0.04 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3g5j h LYS 73 Cb 1.02 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3g5j h LYS 73 CO 0.10 0.74 0.15 0.22 -2.27 0.00 0.00 179.45 178.38 3g5j h ASP 74 N 1.13 0.60 -0.34 4.20 3.58 -1.75 -1.08 116.42 122.77 3g5j h ASP 74 Ca 0.30 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 3g5j h ASP 74 Cb -0.11 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 3g5j h ASP 74 CO -0.06 0.58 0.09 0.40 -2.88 0.00 0.00 179.24 177.36 3g5j h ILE 75 N 0.65 1.22 -0.41 2.25 2.04 -1.01 0.68 117.51 122.93 3g5j h ILE 75 Ca 0.15 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.34 3g5j h ILE 75 Cb 0.19 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3g5j h ILE 75 CO -0.01 0.24 0.14 0.22 0.00 0.00 0.00 178.15 178.75 3g5j h TYR 76 N 0.39 0.26 -0.34 1.37 3.20 -0.82 -1.31 116.97 119.70 3g5j h TYR 76 Ca 0.11 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 3g5j h TYR 76 Cb 0.28 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3g5j h TYR 76 CO 0.01 0.10 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.39 3g5j h LEU 77 N 0.31 0.63 -0.35 2.82 3.38 -0.90 0.99 115.31 122.18 3g5j h LEU 77 Ca 0.19 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3g5j h LEU 77 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3g5j h LEU 77 CO -0.19 0.81 -0.33 1.56 0.09 0.00 0.00 178.44 180.38 3g5j h GLN 78 N 0.57 0.84 -0.51 1.13 4.20 -0.64 -2.55 115.11 118.15 3g5j h GLN 78 Ca 0.09 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 3g5j h GLN 78 Cb 0.62 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3g5j h GLN 78 CO 0.04 1.08 0.05 0.00 -0.67 0.00 0.00 178.83 179.33 3g5j h ALA 79 N 0.75 0.69 -0.84 3.87 0.00 -0.87 -1.73 119.26 121.12 3g5j h ALA 79 Ca 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3g5j h ALA 79 Cb 0.92 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3g5j h ALA 79 CO 0.08 0.45 0.55 0.00 0.00 0.00 0.00 179.25 180.34 3g5j h ALA 80 N 0.96 1.07 -0.48 0.00 0.00 -0.77 -0.55 119.26 119.51 3g5j h ALA 80 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3g5j h ALA 80 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3g5j h ALA 80 CO 0.02 0.45 0.20 1.49 0.00 0.00 0.00 179.25 181.41 3g5j h GLU 81 N 1.12 0.70 -0.61 0.00 4.57 -1.28 -2.66 114.58 116.43 3g5j h GLU 81 Ca 0.31 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3g5j h GLU 81 Cb -0.10 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 3g5j h GLU 81 CO -0.08 0.62 0.31 -0.07 -1.18 0.00 0.00 179.01 178.61 3g5j h LEU 82 N 0.63 0.76 -2.13 1.64 3.38 -0.93 -2.34 115.31 116.32 3g5j h LEU 82 Ca 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3g5j h LEU 82 Cb 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g5j h LEU 82 CO -0.02 0.64 -0.07 0.00 0.09 0.00 0.00 178.44 179.08 3g5j h ALA 83 N 1.49 1.35 0.00 1.53 0.00 -0.75 0.41 119.26 123.29 3g5j h ALA 83 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3g5j h ALA 83 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3g5j h ALA 83 CO -0.03 0.09 -0.08 -0.07 0.00 0.00 0.00 179.25 179.16 3g5j h LEU 84 N 0.00 0.00 0.00 0.00 3.38 -1.30 -3.36 115.31 114.03 3g5j h LEU 84 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3g5j h LEU 84 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3g5j h LEU 84 CO 0.01 0.08 -1.23 0.59 0.09 0.00 0.00 178.44 177.98 3g5j n ASN 85 N -3.24 3.90 -4.19 -0.43 3.02 -0.26 -5.01 115.26 109.06 3g5j n ASN 85 Ca -0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 3g5j n ASN 85 Cb 0.31 1.14 -0.14 0.00 -0.61 0.00 0.00 39.78 40.48 3g5j n ASN 85 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3g5j s TYR 86 N -2.31 1.55 -0.12 3.10 2.02 -0.03 -5.01 117.35 116.56 3g5j s TYR 86 Ca -0.02 -0.33 0.14 0.00 -0.37 0.00 0.00 57.07 56.49 3g5j s TYR 86 Cb 0.03 -0.95 0.06 0.00 -0.40 0.00 0.00 41.96 40.69 3g5j s TYR 86 CO 0.20 0.03 1.44 -0.44 -1.57 0.00 0.00 175.55 175.20 3g5j h ASP 87 N 5.24 0.00 -3.52 2.29 3.32 -1.28 -3.41 116.42 119.06 3g5j h ASP 87 Ca -0.39 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.30 3g5j h ASP 87 Cb 1.16 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.38 3g5j h ASP 87 CO 0.46 0.54 -0.75 0.20 -1.72 0.00 0.00 179.24 177.97 3g5j s ASN 88 N -6.48 0.56 -0.18 6.45 0.01 -0.96 -5.04 114.94 109.31 3g5j s ASN 88 Ca 0.04 -0.06 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 3g5j s ASN 88 Cb 0.08 -0.27 0.03 0.00 0.41 0.00 0.00 41.25 41.49 3g5j s ASN 88 CO 0.75 -0.07 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.49 3g5j s ILE 89 N 0.87 1.81 -0.21 0.60 1.01 -1.26 -1.10 121.20 122.91 3g5j s ILE 89 Ca -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 3g5j s ILE 89 Cb -0.13 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3g5j s ILE 89 CO -0.01 0.40 -0.11 -0.69 0.00 0.00 0.00 174.94 174.54 3g5j s VAL 90 N 1.37 2.78 -0.15 2.92 1.01 -0.07 -1.32 120.40 126.94 3g5j s VAL 90 Ca 0.03 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 3g5j s VAL 90 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3g5j s VAL 90 CO -0.11 0.42 0.11 -0.63 0.00 0.00 0.00 175.10 174.90 3g5j s ILE 91 N 1.38 5.24 0.01 2.22 1.01 0.30 -0.44 121.20 130.91 3g5j s ILE 91 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 3g5j s ILE 91 Cb -0.14 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3g5j s ILE 91 CO -0.07 0.54 0.02 -0.72 0.00 0.00 0.00 174.94 174.71 3g5j s TYR 92 N -0.40 0.16 0.00 3.97 -0.85 -0.43 -1.13 117.35 118.68 3g5j s TYR 92 Ca 0.11 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 3g5j s TYR 92 Cb -0.12 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.10 3g5j s TYR 92 CO 0.01 -0.18 0.00 0.00 -1.52 0.00 0.00 175.55 173.87 3g5j h ALA 94 N 1.00 0.43 0.00 0.00 0.00 -1.93 0.29 119.26 119.06 3g5j h ALA 94 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3g5j h ALA 94 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3g5j h ALA 94 CO 0.00 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3g5j n ARG 95 N -4.55 0.54 -2.29 0.00 1.74 -1.26 -1.59 116.66 109.26 3g5j n ARG 95 Ca -0.02 -0.61 -0.01 0.00 -0.77 0.00 0.00 57.85 56.44 3g5j n ARG 95 Cb 0.26 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 3g5j n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g5j n GLY 96 N -0.12 0.66 0.06 -0.13 0.00 -1.26 -3.87 105.19 100.54 3g5j n GLY 96 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3g5j n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5j n GLY 97 N -0.75 -0.44 3.64 -0.02 0.00 -1.26 -4.64 105.19 101.72 3g5j n GLY 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g5j n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5j n ARG 99 N -2.48 0.00 0.08 1.61 1.74 -1.26 -1.09 116.66 115.26 3g5j n ARG 99 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3g5j n ARG 99 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3g5j n ARG 99 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3g5j h SER 100 N 0.00 0.22 -0.44 0.55 4.64 -1.93 -3.16 113.55 113.42 3g5j h SER 100 Ca 0.00 -0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 3g5j h SER 100 Cb 0.00 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3g5j h SER 100 CO 0.00 1.05 0.01 1.23 -0.87 0.00 0.00 176.83 178.25 3g5j h GLY 101 N 2.05 0.84 0.92 -0.77 0.00 -1.44 -1.21 103.07 103.46 3g5j h GLY 101 Ca -0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 3g5j h GLY 101 CO 0.14 0.56 0.09 1.48 0.00 0.00 0.00 176.54 178.81 3g5j h SER 102 N 0.62 0.56 -0.79 0.19 4.64 -1.81 -0.94 113.55 116.02 3g5j h SER 102 Ca 0.13 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 3g5j h SER 102 Cb 0.48 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3g5j h SER 102 CO 0.02 0.64 0.31 0.40 -0.87 0.00 0.00 176.83 177.34 3g5j h ILE 103 N 0.44 1.26 -0.24 0.95 1.08 -1.49 -1.31 117.51 118.20 3g5j h ILE 103 Ca 0.11 -0.83 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 3g5j h ILE 103 Cb 0.31 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 3g5j h ILE 103 CO 0.00 0.34 -0.19 0.58 -0.69 0.00 0.00 178.15 178.19 3g5j h VAL 104 N 1.14 1.31 -0.61 1.67 2.07 -1.09 -1.04 116.25 119.71 3g5j h VAL 104 Ca 0.26 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3g5j h VAL 104 Cb 0.22 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3g5j h VAL 104 CO -0.02 0.41 0.12 0.78 0.02 0.00 0.00 177.57 178.88 3g5j h ASN 105 N 0.27 0.95 -0.02 0.57 -0.26 -1.01 0.45 115.58 116.54 3g5j h ASN 105 Ca 0.05 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.53 3g5j h ASN 105 Cb 0.73 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.73 3g5j h ASN 105 CO 0.05 0.96 0.00 0.25 -1.06 0.00 0.00 177.43 177.63 3g5j h LEU 106 N 0.91 0.03 -0.85 1.61 5.85 -1.17 -2.20 115.31 119.49 3g5j h LEU 106 Ca 0.19 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3g5j h LEU 106 Cb 0.40 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3g5j h LEU 106 CO 0.01 0.33 0.54 -0.07 -0.34 0.00 0.00 178.44 178.91 3g5j h LEU 107 N -0.26 0.90 -1.09 2.25 3.38 -1.11 -1.64 115.31 117.74 3g5j h LEU 107 Ca 0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3g5j h LEU 107 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3g5j h LEU 107 CO 0.00 0.61 -0.09 -1.28 0.09 0.00 0.00 178.44 177.77 3g5j h SER 108 N 1.05 0.52 0.99 -0.43 0.87 -0.87 -1.92 113.55 113.76 3g5j h SER 108 Ca 0.34 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3g5j h SER 108 Cb 0.02 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3g5j h SER 108 CO -0.12 0.65 -0.16 0.77 -0.53 0.00 0.00 176.83 177.44 3g5j h SER 109 N 0.50 0.00 -0.13 6.23 4.64 -0.66 -2.36 113.55 121.78 3g5j h SER 109 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3g5j h SER 109 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3g5j h SER 109 CO 0.03 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 3g5j n LEU 110 N -3.31 1.51 0.00 5.97 4.77 -0.77 -4.93 117.00 120.24 3g5j n LEU 110 Ca 0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3g5j n LEU 110 Cb 0.40 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3g5j n LEU 110 CO 0.32 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3g5j n GLY 111 N 1.11 0.80 3.59 -0.72 0.00 -0.89 -5.04 105.19 104.04 3g5j n GLY 111 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3g5j n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5j s VAL 112 N -2.16 4.78 -0.48 1.61 1.01 -0.93 -5.02 120.40 119.22 3g5j s VAL 112 Ca 0.00 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 62.57 3g5j s VAL 112 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3g5j s VAL 112 CO 0.00 -0.38 2.07 0.21 0.00 0.00 0.00 175.10 177.00 3g5j s ASN 113 N 1.80 5.12 0.09 3.32 2.47 -1.26 -3.54 114.94 122.94 3g5j s ASN 113 Ca 0.30 0.93 0.02 0.00 0.42 0.00 0.00 52.86 54.53 3g5j s ASN 113 Cb -0.14 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.11 3g5j s ASN 113 CO 0.16 -2.38 -0.07 0.68 -3.72 0.00 0.00 177.10 171.77 3g5j s VAL 114 N 9.66 0.69 0.10 -5.21 -7.23 -1.26 -4.22 120.40 112.94 3g5j s VAL 114 Ca 0.83 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 3g5j s VAL 114 Cb -0.18 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3g5j s VAL 114 CO 0.26 -0.82 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.72 3g5j s TYR 115 N -3.40 1.76 -0.10 2.82 2.02 -0.44 -4.79 117.35 115.23 3g5j s TYR 115 Ca 0.10 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.21 3g5j s TYR 115 Cb 0.04 -0.96 -0.05 0.00 -0.40 0.00 0.00 41.96 40.59 3g5j s TYR 115 CO -0.04 0.20 0.43 -1.14 -1.57 0.00 0.00 175.55 173.43 3g5j s GLN 116 N -1.91 4.24 -0.14 -0.62 0.74 -0.08 -0.54 119.66 121.33 3g5j s GLN 116 Ca 0.06 0.39 -0.29 0.00 0.05 0.00 0.00 55.36 55.56 3g5j s GLN 116 Cb -0.10 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.60 3g5j s GLN 116 CO 0.04 0.29 1.39 -1.17 -0.55 0.00 0.00 175.29 175.30 3g5j s LEU 117 N 0.20 4.19 0.12 3.68 2.96 -0.28 -0.21 118.68 129.33 3g5j s LEU 117 Ca 0.24 1.82 -0.31 0.00 -0.22 0.00 0.00 54.13 55.65 3g5j s LEU 117 Cb -0.15 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 3g5j s LEU 117 CO 0.10 -0.85 1.73 -0.70 -1.32 0.00 0.00 176.35 175.30 3g5j s GLU 118 N 3.75 4.17 0.00 1.98 2.12 0.21 -2.25 118.70 128.68 3g5j s GLU 118 Ca 0.61 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.42 3g5j s GLU 118 Cb -0.25 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.65 3g5j s GLU 118 CO 0.20 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 3g5j n GLY 119 N 4.07 0.80 7.00 -1.50 0.00 -1.25 -4.64 105.19 109.66 3g5j n GLY 119 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3g5j n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5j n GLY 120 N -2.03 0.21 0.37 -0.02 0.00 -0.95 -2.36 105.19 100.41 3g5j n GLY 120 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 45.12 3g5j n GLY 120 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g5j h TYR 121 N 0.00 1.13 -0.87 1.61 3.20 -0.02 -2.10 116.97 119.92 3g5j h TYR 121 Ca 0.00 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.09 3g5j h TYR 121 Cb 0.00 -0.36 -0.11 0.00 1.54 0.00 0.00 36.73 37.80 3g5j h TYR 121 CO 0.00 0.49 0.40 -0.22 -1.64 0.00 0.00 178.16 177.19 3g5j h LYS 122 N 1.02 0.47 -0.63 1.82 3.64 -1.25 0.23 116.57 121.87 3g5j h LYS 122 Ca 0.47 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 3g5j h LYS 122 Cb 0.42 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3g5j h LYS 122 CO -0.23 0.31 0.19 0.00 -2.27 0.00 0.00 179.45 177.45 3g5j h ALA 123 N 1.64 1.15 -0.10 5.00 0.00 -0.99 -1.63 119.26 124.34 3g5j h ALA 123 Ca 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3g5j h ALA 123 Cb 0.88 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3g5j h ALA 123 CO -0.46 0.59 -0.01 -0.92 0.00 0.00 0.00 179.25 178.45 3g5j h TYR 124 N 0.93 0.19 -0.65 0.00 3.20 -1.02 -1.29 116.97 118.33 3g5j h TYR 124 Ca 0.21 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.15 3g5j h TYR 124 Cb 0.27 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 3g5j h TYR 124 CO 0.02 0.46 0.26 0.00 -1.64 0.00 0.00 178.16 177.25 3g5j h ARG 125 N -0.12 0.42 -0.03 1.82 3.08 -0.79 -0.62 114.38 118.13 3g5j h ARG 125 Ca 0.03 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3g5j h ARG 125 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3g5j h ARG 125 CO 0.01 0.28 -0.48 -0.91 -1.07 0.00 0.00 179.97 177.79 3g5j h ASN 126 N 0.44 0.08 -0.31 7.04 2.35 -1.25 -1.50 115.58 122.43 3g5j h ASN 126 Ca 0.34 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.95 3g5j h ASN 126 Cb 0.43 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3g5j h ASN 126 CO -0.33 0.55 -0.21 0.15 -1.65 0.00 0.00 177.43 175.95 3g5j h PHE 127 N 0.06 0.80 -0.34 1.19 3.57 -0.67 -1.55 116.94 120.00 3g5j h PHE 127 Ca 0.00 -0.22 -0.15 0.00 3.53 0.00 0.00 57.97 61.14 3g5j h PHE 127 Cb 0.88 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3g5j h PHE 127 CO 0.01 0.93 -0.36 0.28 -2.23 0.00 0.00 178.31 176.94 3g5j h VAL 128 N 0.43 1.28 -0.14 1.41 2.07 -0.89 -3.17 116.25 117.25 3g5j h VAL 128 Ca 0.06 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3g5j h VAL 128 Cb 0.75 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3g5j h VAL 128 CO 0.06 0.50 0.00 0.18 0.02 0.00 0.00 177.57 178.33 3g5j n LEU 129 N -4.14 1.65 -4.63 2.57 4.77 -0.59 -4.95 117.00 111.69 3g5j n LEU 129 Ca -0.03 -0.67 -0.51 0.00 -0.03 0.00 0.00 56.01 54.77 3g5j n LEU 129 Cb 0.52 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3g5j n LEU 129 CO 0.47 0.33 1.04 1.21 -1.33 0.00 0.00 177.39 179.12 3g5j n GLU 130 N 0.31 1.46 0.00 3.23 2.13 -0.58 -5.03 120.64 122.15 3g5j n GLU 130 Ca 0.17 0.53 0.16 0.00 0.66 0.00 0.00 57.16 58.67 3g5j n GLU 130 Cb 0.34 -2.22 0.94 0.00 0.27 0.00 0.00 31.44 30.77 3g5j n GLU 130 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70