#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 1.06 -4.77 2.46 4.77 -1.26 -4.90 117.00 114.36 1n8j n LEU 2 Ca 0.00 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 1n8j n LEU 2 Cb 0.00 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1n8j n LEU 2 CO 0.00 0.22 1.10 -0.51 -1.33 0.00 0.00 177.39 176.88 1n8j s ILE 3 N -1.86 2.31 -1.57 -0.08 1.10 -1.26 -2.41 121.20 117.42 1n8j s ILE 3 Ca 0.30 0.30 0.00 0.00 -0.51 0.00 0.00 60.65 60.73 1n8j s ILE 3 Cb 0.15 -3.19 0.00 0.00 0.15 0.00 0.00 42.46 39.57 1n8j s ILE 3 CO 0.23 0.07 0.00 -3.20 -2.11 0.00 0.00 174.94 169.93 1n8j n ASN 4 N 1.00 -4.96 -4.63 4.50 4.05 -0.03 -4.99 115.26 110.20 1n8j n ASN 4 Ca 0.02 0.17 -0.24 0.00 0.45 0.00 0.00 54.58 54.98 1n8j n ASN 4 Cb 0.40 -4.01 -0.08 0.00 1.23 0.00 0.00 39.78 37.32 1n8j n ASN 4 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1n8j s THR 5 N -2.74 2.79 -0.02 -0.44 -4.23 -1.01 -4.85 115.64 105.14 1n8j s THR 5 Ca 0.00 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 1n8j s THR 5 Cb 0.00 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1n8j s THR 5 CO 0.00 -0.25 0.45 -0.75 -0.54 0.00 0.00 174.62 173.54 1n8j s LYS 6 N -3.70 4.09 0.69 3.99 2.20 -1.26 -1.12 119.74 124.64 1n8j s LYS 6 Ca 0.34 0.48 -0.16 0.00 -0.36 0.00 0.00 55.97 56.26 1n8j s LYS 6 Cb -0.02 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1n8j s LYS 6 CO 0.19 0.52 1.23 0.96 -0.36 0.00 0.00 175.35 177.89 1n8j s ILE 7 N -0.58 2.30 0.29 5.43 -4.36 0.54 -4.98 121.20 119.84 1n8j s ILE 7 Ca 0.25 0.16 -0.10 0.00 -0.26 0.00 0.00 60.65 60.70 1n8j s ILE 7 Cb -0.17 -2.85 -0.07 0.00 1.25 0.00 0.00 42.46 40.62 1n8j s ILE 7 CO 0.13 -0.06 0.63 -0.54 0.24 0.00 0.00 174.94 175.34 1n8j s LYS 8 N -3.71 3.82 0.80 0.37 1.02 -1.26 -5.04 119.74 115.73 1n8j s LYS 8 Ca 0.77 0.36 -0.13 0.00 0.02 0.00 0.00 55.97 56.99 1n8j s LYS 8 Cb -0.31 -2.55 0.08 0.00 -0.52 0.00 0.00 37.83 34.53 1n8j s LYS 8 CO 0.42 0.20 1.17 -1.25 -0.92 0.00 0.00 175.35 174.97 1n8j s PRO 9 N -3.17 1.78 0.20 -1.68 0.04 -1.26 -4.90 135.00 126.01 1n8j s PRO 9 Ca 0.49 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 1n8j s PRO 9 Cb -0.11 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1n8j s PRO 9 CO 0.24 -2.08 0.64 -0.59 0.04 0.00 0.00 177.00 175.24 1n8j s PHE 10 N -2.33 -0.41 -0.26 0.56 -0.12 -1.26 -4.96 117.98 109.20 1n8j s PHE 10 Ca 0.70 0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 57.67 1n8j s PHE 10 Cb -0.25 0.60 0.13 0.00 -0.63 0.00 0.00 43.02 42.86 1n8j s PHE 10 CO 0.51 -0.98 0.29 0.21 -0.05 0.00 0.00 175.22 175.20 1n8j s LYS 11 N -3.81 0.29 0.18 1.99 2.20 -1.26 -2.92 119.74 116.41 1n8j s LYS 11 Ca 0.05 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.77 1n8j s LYS 11 Cb -0.03 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.48 1n8j s LYS 11 CO -0.06 -0.88 -0.14 -0.80 -0.36 0.00 0.00 175.35 173.11 1n8j s ASN 12 N 2.38 2.33 0.06 1.43 -0.87 -0.12 -4.98 114.94 115.18 1n8j s ASN 12 Ca 0.09 -0.98 -0.11 0.00 -1.57 0.00 0.00 52.86 50.29 1n8j s ASN 12 Cb -0.15 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.25 40.93 1n8j s ASN 12 CO -0.25 -0.19 0.40 -1.10 -2.57 0.00 0.00 177.10 173.38 1n8j s GLN 13 N -3.49 3.79 0.10 -0.60 -1.52 -1.26 -0.25 119.66 116.43 1n8j s GLN 13 Ca 0.19 0.22 -0.04 0.00 -1.95 0.00 0.00 55.36 53.77 1n8j s GLN 13 Cb -0.01 -3.04 -0.03 0.00 -0.22 0.00 0.00 33.01 29.72 1n8j s GLN 13 CO 0.05 0.58 0.10 0.00 -0.25 0.00 0.00 175.29 175.77 1n8j s ALA 14 N -1.34 0.35 -0.18 6.09 0.00 0.21 -0.65 121.76 126.25 1n8j s ALA 14 Ca 0.31 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1n8j s ALA 14 Cb -0.14 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 1n8j s ALA 14 CO 0.17 -0.49 -0.09 0.12 0.00 0.00 0.00 175.76 175.47 1n8j s PHE 15 N -3.95 2.88 -0.04 0.00 5.36 0.22 -1.46 117.98 121.00 1n8j s PHE 15 Ca 0.13 -0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 55.23 1n8j s PHE 15 Cb 0.06 -1.97 0.03 0.00 -0.34 0.00 0.00 43.02 40.80 1n8j s PHE 15 CO -0.05 -0.41 0.07 0.21 -1.46 0.00 0.00 175.22 173.58 1n8j s LYS 16 N 0.94 -0.01 -0.77 10.12 2.20 -0.23 -1.20 119.74 130.80 1n8j s LYS 16 Ca -0.02 0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.66 1n8j s LYS 16 Cb -0.15 -0.27 0.03 0.00 -1.51 0.00 0.00 37.83 35.93 1n8j s LYS 16 CO -0.00 -0.20 0.43 0.09 -0.36 0.00 0.00 175.35 175.31 1n8j n ASN 17 N 4.42 -2.63 0.00 1.43 3.02 -1.26 -1.18 115.26 119.06 1n8j n ASN 17 Ca -0.23 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1n8j n ASN 17 Cb 0.50 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1n8j n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8j n GLY 18 N -1.67 0.60 3.34 7.41 0.00 -1.26 -5.03 105.19 108.57 1n8j n GLY 18 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1n8j n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8j s GLU 19 N -0.06 1.11 -0.23 1.61 -1.05 -0.33 -5.14 118.70 114.62 1n8j s GLU 19 Ca 0.00 -0.99 -0.11 0.00 -0.15 0.00 0.00 54.97 53.72 1n8j s GLU 19 Cb 0.00 0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 1n8j s GLU 19 CO 0.00 -0.42 0.20 -0.06 0.95 0.00 0.00 175.26 175.93 1n8j s PHE 20 N -3.90 3.34 0.31 4.83 0.08 -1.26 -1.07 117.98 120.31 1n8j s PHE 20 Ca 0.10 0.32 0.06 0.00 0.12 0.00 0.00 56.93 57.53 1n8j s PHE 20 Cb 0.03 -2.30 -0.06 0.00 -0.57 0.00 0.00 43.02 40.11 1n8j s PHE 20 CO -0.05 0.09 -0.02 0.96 -0.10 0.00 0.00 175.22 176.09 1n8j s ILE 21 N 0.99 1.61 -0.10 0.64 -4.36 -0.53 -4.97 121.20 114.48 1n8j s ILE 21 Ca 0.10 -2.08 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1n8j s ILE 21 Cb -0.13 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 1n8j s ILE 21 CO 0.04 -0.19 -0.07 -0.70 0.24 0.00 0.00 174.94 174.27 1n8j s GLU 22 N -3.76 3.08 -0.07 0.37 2.12 -1.26 -0.62 118.70 118.56 1n8j s GLU 22 Ca 0.32 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 55.14 1n8j s GLU 22 Cb 0.06 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.76 1n8j s GLU 22 CO 0.14 0.49 -0.23 0.08 -0.54 0.00 0.00 175.26 175.20 1n8j s VAL 23 N -0.35 1.95 0.39 3.70 1.01 0.65 -4.97 120.40 122.78 1n8j s VAL 23 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1n8j s VAL 23 Cb -0.12 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1n8j s VAL 23 CO 0.02 0.54 0.20 0.35 0.00 0.00 0.00 175.10 176.21 1n8j n THR 24 N 3.22 0.00 -0.15 3.92 -2.24 -1.26 -0.94 114.28 116.83 1n8j n THR 24 Ca -0.18 -2.43 0.03 0.00 -2.27 0.00 0.00 64.05 59.19 1n8j n THR 24 Cb 0.52 1.00 0.32 0.00 -2.10 0.00 0.00 70.33 70.07 1n8j n THR 24 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1n8j h GLU 25 N 0.00 0.81 -0.79 -0.78 9.09 -1.88 -2.31 114.58 118.73 1n8j h GLU 25 Ca -0.29 -0.05 0.15 0.00 0.05 0.00 0.00 59.36 59.22 1n8j h GLU 25 Cb 1.23 -0.18 -0.10 0.00 -1.65 0.00 0.00 28.75 28.05 1n8j h GLU 25 CO 0.45 0.54 0.34 0.87 0.05 0.00 0.00 179.01 181.26 1n8j h LYS 26 N 0.84 0.47 -0.07 1.06 6.56 -1.96 0.69 116.57 124.15 1n8j h LYS 26 Ca 0.25 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.84 1n8j h LYS 26 Cb -0.01 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.54 1n8j h LYS 26 CO -0.06 0.31 0.21 -0.44 -2.06 0.00 0.00 179.45 177.40 1n8j h ASP 27 N 0.48 0.00 0.40 0.86 3.32 -1.82 -1.19 116.42 118.48 1n8j h ASP 27 Ca 0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.41 1n8j h ASP 27 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1n8j h ASP 27 CO -0.41 0.00 -1.67 0.35 -1.72 0.00 0.00 179.24 175.80 1n8j n THR 28 N -3.25 0.57 -1.68 0.35 -2.24 0.21 -4.84 114.28 103.39 1n8j n THR 28 Ca -0.01 -0.59 -0.49 0.00 -2.27 0.00 0.00 64.05 60.69 1n8j n THR 28 Cb 0.29 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1n8j n THR 28 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n8j n GLU 29 N -2.55 2.04 -0.77 -0.78 1.02 -0.45 -1.24 120.64 117.91 1n8j n GLU 29 Ca -0.08 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1n8j n GLU 29 Cb 0.69 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 4.24 0.79 3.24 0.62 0.00 -0.66 -5.04 105.19 108.38 1n8j n GLY 30 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1n8j n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j s ARG 31 N -0.23 1.02 0.13 1.61 0.52 -0.37 -4.82 118.95 116.81 1n8j s ARG 31 Ca 0.00 -1.21 -0.28 0.00 -0.52 0.00 0.00 55.73 53.72 1n8j s ARG 31 Cb 0.00 -0.95 -0.07 0.00 0.52 0.00 0.00 34.95 34.45 1n8j s ARG 31 CO 0.00 0.19 0.89 -1.58 0.02 0.00 0.00 175.30 174.82 1n8j s TRP 32 N -1.96 3.85 0.06 -0.53 0.52 -1.18 -3.46 118.94 116.24 1n8j s TRP 32 Ca 0.08 1.74 0.05 0.00 0.02 0.00 0.00 56.10 57.98 1n8j s TRP 32 Cb -0.06 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.29 1n8j s TRP 32 CO 0.03 0.32 -0.13 -1.12 0.02 0.00 0.00 176.95 176.08 1n8j s SER 33 N -0.45 1.51 -0.16 2.95 0.01 0.70 -0.72 113.70 117.55 1n8j s SER 33 Ca 0.42 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1n8j s SER 33 Cb -0.23 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 65.99 1n8j s SER 33 CO 0.28 -0.09 -0.09 -0.69 0.41 0.00 0.00 173.24 173.06 1n8j s VAL 34 N -1.25 1.32 -0.39 3.43 1.01 -0.41 0.79 120.40 124.89 1n8j s VAL 34 Ca -0.03 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1n8j s VAL 34 Cb -0.10 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1n8j s VAL 34 CO 0.02 0.26 0.34 -0.36 0.00 0.00 0.00 175.10 175.36 1n8j s PHE 35 N 1.56 3.22 -0.49 5.22 0.40 -0.19 -1.00 117.98 126.69 1n8j s PHE 35 Ca 0.02 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 1n8j s PHE 35 Cb -0.14 -2.67 0.12 0.00 0.51 0.00 0.00 43.02 40.84 1n8j s PHE 35 CO -0.09 -0.57 0.40 0.12 0.70 0.00 0.00 175.22 175.78 1n8j s PHE 36 N 1.85 3.35 0.22 0.36 5.36 0.15 -1.45 117.98 127.82 1n8j s PHE 36 Ca 0.08 -1.58 -0.13 0.00 -0.96 0.00 0.00 56.93 54.33 1n8j s PHE 36 Cb -0.18 -3.54 -0.08 0.00 -0.34 0.00 0.00 43.02 38.88 1n8j s PHE 36 CO 0.11 -0.98 0.60 -0.06 -1.46 0.00 0.00 175.22 173.43 1n8j s PHE 37 N 1.47 3.50 0.06 10.12 0.40 -0.32 0.45 117.98 133.66 1n8j s PHE 37 Ca 0.04 1.05 -0.13 0.00 -0.60 0.00 0.00 56.93 57.29 1n8j s PHE 37 Cb -0.27 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1n8j s PHE 37 CO 0.01 0.30 0.29 1.52 0.70 0.00 0.00 175.22 178.04 1n8j s TYR 38 N -1.70 -0.07 0.06 0.36 -0.85 -0.35 -3.45 117.35 111.35 1n8j s TYR 38 Ca 0.45 -0.14 -0.33 0.00 -0.52 0.00 0.00 57.07 56.53 1n8j s TYR 38 Cb -0.13 0.08 -0.17 0.00 0.38 0.00 0.00 41.96 42.12 1n8j s TYR 38 CO 0.20 -0.53 1.49 -1.35 -1.52 0.00 0.00 175.55 173.84 1n8j h PRO 39 N 3.06 -1.07 -2.73 -3.49 0.11 -1.79 -3.38 132.00 122.69 1n8j h PRO 39 Ca -0.32 0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 1n8j h PRO 39 Cb 1.21 0.24 -0.15 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 39 CO 0.48 -0.72 0.11 0.00 -0.21 0.00 0.00 178.00 177.67 1n8j s ALA 40 N -5.58 -1.47 0.81 -0.75 0.00 -1.26 -4.27 121.76 109.24 1n8j s ALA 40 Ca -0.17 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 1n8j s ALA 40 Cb 0.02 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.71 1n8j s ALA 40 CO 0.52 -0.57 1.09 -0.51 0.00 0.00 0.00 175.76 176.29 1n8j s ASP 41 N -2.12 4.27 -1.61 0.00 1.11 -1.26 -3.84 116.67 113.21 1n8j s ASP 41 Ca -0.04 1.53 -0.03 0.00 0.18 0.00 0.00 52.55 54.19 1n8j s ASP 41 Cb -0.00 -2.26 0.01 0.00 1.07 0.00 0.00 42.92 41.73 1n8j s ASP 41 CO -0.04 -2.14 0.38 0.49 1.18 0.00 0.00 175.17 175.04 1n8j n PHE 42 N -3.57 -1.62 -2.06 4.23 3.01 -1.26 -4.99 117.46 111.20 1n8j n PHE 42 Ca 0.08 0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1n8j n PHE 42 Cb 0.55 -4.20 0.00 0.00 -0.01 0.00 0.00 39.48 35.81 1n8j n PHE 42 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n8j n THR 43 N -4.29 0.00 -0.01 4.37 -2.24 -1.25 -5.13 114.28 105.73 1n8j n THR 43 Ca -0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1n8j n THR 43 Cb 0.64 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1n8j n THR 43 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n8j n PHE 44 N 0.00 0.00 -0.06 4.78 3.72 -1.26 -4.55 117.46 120.09 1n8j n PHE 44 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1n8j n PHE 44 Cb 0.00 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 1n8j n PHE 44 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1n8j h VAL 45 N -0.23 1.05 -0.81 -4.37 2.07 -1.98 -3.16 116.25 108.82 1n8j h VAL 45 Ca 0.00 -0.11 0.19 0.00 0.82 0.00 0.00 66.70 67.60 1n8j h VAL 45 Cb 0.23 0.71 -0.12 0.00 -1.52 0.00 0.00 31.29 30.60 1n8j h VAL 45 CO 0.00 0.06 0.23 0.28 0.02 0.00 0.00 177.57 178.15 1n8j h SER 46 N 0.31 0.06 -0.15 0.57 0.02 -1.90 -1.68 113.55 110.77 1n8j h SER 46 Ca 0.09 0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1n8j h SER 46 Cb -0.03 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1n8j h SER 46 CO -0.03 -0.06 -0.03 -0.65 -1.14 0.00 0.00 176.83 174.93 1n8j h PRO 47 N 0.28 0.02 -0.03 3.45 0.11 -1.79 0.16 132.00 134.20 1n8j h PRO 47 Ca 0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.55 1n8j h PRO 47 Cb 0.87 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1n8j h PRO 47 CO -0.55 0.01 -0.13 1.79 -0.21 0.00 0.00 178.00 178.90 1n8j h THR 48 N 0.02 1.11 -0.04 -1.15 1.35 -1.43 0.99 112.91 113.76 1n8j h THR 48 Ca 0.07 -0.53 -0.10 0.00 -0.55 0.00 0.00 66.41 65.30 1n8j h THR 48 Cb 0.10 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1n8j h THR 48 CO -0.14 0.15 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.58 1n8j h GLU 49 N 0.04 0.32 0.00 4.72 5.08 -0.68 -1.92 114.58 122.14 1n8j h GLU 49 Ca 0.01 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1n8j h GLU 49 Cb 0.27 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1n8j h GLU 49 CO 0.02 0.96 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.60 1n8j h LEU 50 N -0.22 0.00 -0.04 1.33 3.38 -0.33 -2.35 115.31 117.08 1n8j h LEU 50 Ca -0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 1n8j h LEU 50 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.82 1n8j h LEU 50 CO 0.07 0.32 -1.00 1.23 0.09 0.00 0.00 178.44 179.15 1n8j h GLY 51 N 0.97 0.79 0.60 0.83 0.00 -0.82 -2.38 103.07 103.05 1n8j h GLY 51 Ca -0.00 -1.33 0.05 0.00 0.00 0.00 0.00 47.33 46.05 1n8j h GLY 51 CO 0.04 1.18 0.11 -1.80 0.00 0.00 0.00 176.54 176.07 1n8j h ASP 52 N 0.41 0.09 -0.26 0.19 -0.00 -1.02 -0.25 116.42 115.58 1n8j h ASP 52 Ca -0.12 0.05 -0.05 0.00 -0.00 0.00 0.00 57.03 56.92 1n8j h ASP 52 Cb 1.65 0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 41.01 1n8j h ASP 52 CO 0.20 0.08 0.00 0.58 -0.00 0.00 0.00 179.24 180.11 1n8j h VAL 53 N 0.25 1.20 -0.34 2.25 2.07 -1.45 -2.27 116.25 117.96 1n8j h VAL 53 Ca 0.18 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1n8j h VAL 53 Cb 0.19 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1n8j h VAL 53 CO -0.21 0.28 0.05 0.00 0.02 0.00 0.00 177.57 177.71 1n8j h ALA 54 N 1.47 1.45 -0.00 1.67 0.00 -0.55 -2.12 119.26 121.17 1n8j h ALA 54 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1n8j h ALA 54 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n8j h ALA 54 CO 0.01 0.40 -0.46 -0.44 0.00 0.00 0.00 179.25 178.76 1n8j h ASP 55 N 0.50 0.00 -0.57 0.00 3.32 -0.61 -2.74 116.42 116.32 1n8j h ASP 55 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1n8j h ASP 55 Cb 0.25 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1n8j h ASP 55 CO 0.00 0.47 0.00 1.41 -1.72 0.00 0.00 179.24 179.40 1n8j n HIS 56 N -3.99 1.46 -0.06 4.55 8.25 -0.84 -4.48 115.22 120.12 1n8j n HIS 56 Ca -0.02 -0.56 -0.07 0.00 -0.26 0.00 0.00 57.72 56.82 1n8j n HIS 56 Cb 0.49 -0.28 0.12 0.00 1.12 0.00 0.00 29.99 31.43 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 3.66 0.78 0.96 4.41 3.20 -1.13 -1.32 116.97 127.53 1n8j h TYR 57 Ca 0.00 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 1n8j h TYR 57 Cb 1.44 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 39.53 1n8j h TYR 57 CO 0.76 0.87 -0.46 0.93 -1.64 0.00 0.00 178.16 178.62 1n8j h GLU 58 N 0.60 -1.24 -0.86 1.82 4.39 -1.81 0.55 114.58 118.04 1n8j h GLU 58 Ca 0.08 0.08 0.21 0.00 0.34 0.00 0.00 59.36 60.07 1n8j h GLU 58 Cb 0.73 0.28 -0.12 0.00 -0.10 0.00 0.00 28.75 29.54 1n8j h GLU 58 CO 0.06 -0.82 0.32 1.49 -1.16 0.00 0.00 179.01 178.89 1n8j h GLU 59 N -1.30 0.33 -0.20 2.33 4.81 -1.87 0.14 114.58 118.83 1n8j h GLU 59 Ca -0.13 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1n8j h GLU 59 Cb 0.98 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1n8j h GLU 59 CO 0.22 0.22 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.58 1n8j h LEU 60 N 0.34 0.41 -1.10 1.64 3.38 -1.02 -1.98 115.31 116.98 1n8j h LEU 60 Ca 0.52 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1n8j h LEU 60 Cb 0.98 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1n8j h LEU 60 CO -0.54 0.70 0.39 1.56 0.09 0.00 0.00 178.44 180.64 1n8j h GLN 61 N 0.12 1.02 -0.56 1.13 1.08 0.15 0.26 115.11 118.31 1n8j h GLN 61 Ca 0.05 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1n8j h GLN 61 Cb 0.53 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1n8j h GLN 61 CO 0.02 0.75 0.24 -0.22 -0.95 0.00 0.00 178.83 178.67 1n8j h LYS 62 N 1.02 0.79 -0.04 1.46 3.64 -0.64 -0.86 116.57 121.95 1n8j h LYS 62 Ca 0.26 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1n8j h LYS 62 Cb 0.04 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1n8j h LYS 62 CO -0.04 0.64 0.00 1.28 -2.27 0.00 0.00 179.45 179.06 1n8j n LEU 63 N -4.34 0.30 -1.34 5.20 4.77 -0.26 -4.87 117.00 116.45 1n8j n LEU 63 Ca 0.05 -0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 1n8j n LEU 63 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1n8j n LEU 63 CO 0.38 0.07 -0.09 0.61 -1.33 0.00 0.00 177.39 177.03 1n8j n GLY 64 N 0.73 -0.01 3.40 -0.72 0.00 -0.33 -4.96 105.19 103.30 1n8j n GLY 64 Ca 0.08 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1n8j n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8j s VAL 65 N -2.63 3.44 0.08 1.61 1.01 -0.08 -3.10 120.40 120.71 1n8j s VAL 65 Ca 0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1n8j s VAL 65 Cb -0.02 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1n8j s VAL 65 CO 0.06 0.49 0.29 -1.81 0.00 0.00 0.00 175.10 174.13 1n8j s ASP 66 N 0.66 6.45 -0.06 3.32 1.01 0.10 -3.84 116.67 124.31 1n8j s ASP 66 Ca -0.04 0.48 0.05 0.00 0.71 0.00 0.00 52.55 53.75 1n8j s ASP 66 Cb -0.15 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1n8j s ASP 66 CO 0.02 0.15 -0.23 -0.69 0.21 0.00 0.00 175.17 174.64 1n8j s VAL 67 N -1.50 2.28 -0.19 -1.27 1.01 -1.26 -1.29 120.40 118.17 1n8j s VAL 67 Ca 0.35 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1n8j s VAL 67 Cb -0.13 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1n8j s VAL 67 CO 0.23 0.57 -0.01 -0.31 0.00 0.00 0.00 175.10 175.58 1n8j s TYR 68 N -0.19 1.54 0.16 5.22 1.51 -0.17 -3.35 117.35 122.06 1n8j s TYR 68 Ca -0.02 -1.13 -0.20 0.00 -1.01 0.00 0.00 57.07 54.71 1n8j s TYR 68 Cb -0.13 -1.23 -0.08 0.00 -0.11 0.00 0.00 41.96 40.41 1n8j s TYR 68 CO 0.03 -0.64 0.67 -1.54 -1.11 0.00 0.00 175.55 172.96 1n8j s SER 69 N 1.68 7.10 -0.02 2.29 1.04 -0.74 0.33 113.70 125.39 1n8j s SER 69 Ca -0.02 1.37 0.01 0.00 0.48 0.00 0.00 55.95 57.79 1n8j s SER 69 Cb -0.17 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1n8j s SER 69 CO -0.07 0.15 -0.01 -0.69 0.98 0.00 0.00 173.24 173.60 1n8j s VAL 70 N -1.32 0.16 0.16 5.02 1.01 0.17 -0.44 120.40 125.16 1n8j s VAL 70 Ca 0.37 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 1n8j s VAL 70 Cb -0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1n8j s VAL 70 CO 0.21 0.10 0.31 -0.94 0.00 0.00 0.00 175.10 174.78 1n8j s SER 71 N 0.57 0.01 -0.01 3.32 1.04 -1.21 -1.21 113.70 116.20 1n8j s SER 71 Ca -0.05 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1n8j s SER 71 Cb -0.08 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1n8j s SER 71 CO -0.01 -0.90 0.83 0.35 0.98 0.00 0.00 173.24 174.48 1n8j n THR 72 N -0.22 0.19 -2.00 2.02 -2.24 -1.26 -1.33 114.28 109.44 1n8j n THR 72 Ca -0.08 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1n8j n THR 72 Cb 0.63 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -0.51 5.01 0.71 3.42 1.01 -1.26 -3.71 116.67 121.35 1n8j s ASP 73 Ca 0.05 0.85 -0.04 0.00 0.71 0.00 0.00 52.55 54.12 1n8j s ASP 73 Cb 0.03 -1.53 0.10 0.00 1.01 0.00 0.00 42.92 42.53 1n8j s ASP 73 CO 0.02 -1.56 1.00 0.42 0.21 0.00 0.00 175.17 175.26 1n8j s THR 74 N -3.38 2.27 0.03 -1.27 -4.23 -1.26 -2.57 115.64 105.22 1n8j s THR 74 Ca 0.59 -0.44 0.23 0.00 -1.18 0.00 0.00 61.69 60.89 1n8j s THR 74 Cb -0.11 -2.83 0.22 0.00 1.34 0.00 0.00 72.50 71.12 1n8j s THR 74 CO 0.49 0.00 1.74 1.12 -0.54 0.00 0.00 174.62 177.43 1n8j h HIS 75 N -0.57 0.00 -0.64 3.99 2.07 -1.88 -2.87 115.15 115.26 1n8j h HIS 75 Ca -0.41 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.05 1n8j h HIS 75 Cb 1.28 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.24 1n8j h HIS 75 CO -0.05 0.25 0.14 0.74 -3.07 0.00 0.00 177.93 175.95 1n8j h PHE 76 N 0.00 1.08 -0.36 6.12 -1.00 -1.97 -1.99 116.94 118.81 1n8j h PHE 76 Ca -0.00 -0.13 -0.07 0.00 2.81 0.00 0.00 57.97 60.57 1n8j h PHE 76 Cb 0.88 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1n8j h PHE 76 CO 0.00 0.90 -0.06 1.15 -1.61 0.00 0.00 178.31 178.69 1n8j h THR 77 N 0.95 1.23 -0.37 -1.55 2.02 -1.89 -2.44 112.91 110.85 1n8j h THR 77 Ca 0.20 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 1n8j h THR 77 Cb 0.38 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1n8j h THR 77 CO 0.00 0.33 -0.06 0.45 0.37 0.00 0.00 175.52 176.61 1n8j h HIS 78 N 0.56 0.78 0.10 3.16 3.86 -1.30 -1.90 115.15 120.42 1n8j h HIS 78 Ca 0.11 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1n8j h HIS 78 Cb 0.46 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1n8j h HIS 78 CO 0.02 0.83 -0.16 -0.22 0.86 0.00 0.00 177.93 179.26 1n8j h LYS 79 N 0.50 -0.30 -0.83 2.45 3.64 -1.14 0.19 116.57 121.08 1n8j h LYS 79 Ca 0.10 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1n8j h LYS 79 Cb 0.56 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 1n8j h LYS 79 CO 0.03 -0.20 0.54 0.00 -2.27 0.00 0.00 179.45 177.55 1n8j h ALA 80 N 0.54 1.86 0.00 5.00 0.00 -1.34 -0.49 119.26 124.82 1n8j h ALA 80 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 80 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n8j h ALA 80 CO -0.08 -0.06 -0.78 2.35 0.00 0.00 0.00 179.25 180.68 1n8j h TRP 81 N 0.66 0.00 0.00 0.00 7.01 -0.87 -2.76 115.95 119.99 1n8j h TRP 81 Ca 0.40 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.36 1n8j h TRP 81 Cb 0.64 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 1n8j h TRP 81 CO -0.00 0.78 -0.19 1.25 -2.79 0.00 0.00 178.44 177.49 1n8j h HIS 82 N 0.00 0.00 -0.00 2.65 2.76 0.60 -2.60 115.15 118.55 1n8j h HIS 82 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1n8j h HIS 82 Cb 1.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.38 1n8j h HIS 82 CO 0.00 0.19 -0.66 0.43 -1.30 0.00 0.00 177.93 176.59 1n8j n SER 83 N -3.29 0.70 0.00 3.26 7.64 -0.62 -3.83 113.62 117.48 1n8j n SER 83 Ca 0.01 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1n8j n SER 83 Cb 0.45 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1n8j n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1n8j n SER 84 N -1.46 0.32 -4.32 6.43 3.41 -1.06 -4.99 113.62 111.94 1n8j n SER 84 Ca 0.05 -0.46 -0.34 0.00 -0.26 0.00 0.00 58.87 57.86 1n8j n SER 84 Cb 0.34 0.98 -0.14 0.00 -0.26 0.00 0.00 64.21 65.12 1n8j n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n8j s SER 85 N -1.04 4.24 0.21 4.04 0.15 -0.99 -4.99 113.70 115.31 1n8j s SER 85 Ca 0.00 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 1n8j s SER 85 Cb 0.00 -1.71 0.28 0.00 -1.71 0.00 0.00 66.02 62.88 1n8j s SER 85 CO 0.00 0.02 1.72 -0.33 1.20 0.00 0.00 173.24 175.86 1n8j h GLU 86 N 7.78 0.31 -0.32 5.44 4.39 -1.92 0.11 114.58 130.37 1n8j h GLU 86 Ca -0.39 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 1n8j h GLU 86 Cb 1.17 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1n8j h GLU 86 CO 0.60 0.20 -0.10 1.79 -1.16 0.00 0.00 179.01 180.34 1n8j h THR 87 N 0.32 1.28 -0.12 1.13 1.35 -1.96 -2.97 112.91 111.94 1n8j h THR 87 Ca 0.30 -1.17 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 1n8j h THR 87 Cb 0.42 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1n8j h THR 87 CO -0.35 0.38 -0.19 0.40 -0.25 0.00 0.00 175.52 175.50 1n8j h ILE 88 N 0.40 1.20 -0.09 6.82 1.08 -1.71 -2.50 117.51 122.71 1n8j h ILE 88 Ca 0.08 -0.93 0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1n8j h ILE 88 Cb 0.61 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1n8j h ILE 88 CO 0.04 0.28 0.09 0.00 -0.69 0.00 0.00 178.15 177.87 1n8j h ALA 89 N 1.61 1.72 -0.00 1.87 0.00 -0.63 -0.33 119.26 123.50 1n8j h ALA 89 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n8j h ALA 89 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n8j h ALA 89 CO 0.03 -0.14 -0.01 0.36 0.00 0.00 0.00 179.25 179.49 1n8j n LYS 90 N -3.92 0.84 -2.24 0.00 2.85 -0.94 -4.80 118.16 109.95 1n8j n LYS 90 Ca -0.01 -0.09 -0.43 0.00 -1.05 0.00 0.00 58.31 56.73 1n8j n LYS 90 Cb 0.20 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.06 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -2.22 3.91 -0.71 0.58 1.01 -0.14 -4.86 121.20 118.76 1n8j s ILE 91 Ca 0.39 1.04 0.20 0.00 0.00 0.00 0.00 60.65 62.28 1n8j s ILE 91 Cb 0.21 -3.86 -0.24 0.00 0.01 0.00 0.00 42.46 38.58 1n8j s ILE 91 CO 0.41 -0.30 0.74 0.29 0.00 0.00 0.00 174.94 176.08 1n8j n LYS 92 N 7.35 0.48 -2.31 2.79 5.02 -1.26 -4.65 118.16 125.58 1n8j n LYS 92 Ca 0.17 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.15 1n8j n LYS 92 Cb 0.45 -1.45 0.12 0.00 -0.02 0.00 0.00 35.03 34.13 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1n8j s TYR 93 N -3.02 1.94 -0.01 2.13 -0.85 -1.26 -4.43 117.35 111.86 1n8j s TYR 93 Ca 0.04 0.07 -0.30 0.00 -0.52 0.00 0.00 57.07 56.35 1n8j s TYR 93 Cb 0.15 -3.35 -0.03 0.00 0.38 0.00 0.00 41.96 39.10 1n8j s TYR 93 CO 0.83 -1.88 0.99 0.00 -1.52 0.00 0.00 175.55 173.97 1n8j s ALA 94 N -3.36 3.20 -0.44 9.51 0.00 -1.21 -4.59 121.76 124.86 1n8j s ALA 94 Ca 0.67 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1n8j s ALA 94 Cb -0.06 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.79 1n8j s ALA 94 CO 0.47 -0.28 0.31 -1.64 0.00 0.00 0.00 175.76 174.61 1n8j s MET 95 N 1.12 2.64 0.16 0.00 1.00 -0.34 -1.79 119.30 122.09 1n8j s MET 95 Ca 0.52 -1.53 -0.27 0.00 0.00 0.00 0.00 55.69 54.41 1n8j s MET 95 Cb -0.21 -3.88 -0.07 0.00 0.00 0.00 0.00 34.83 30.66 1n8j s MET 95 CO 0.27 -1.04 0.86 0.42 0.00 0.00 0.00 175.02 175.53 1n8j s ILE 96 N 1.45 4.37 -0.22 2.53 1.01 0.41 -0.61 121.20 130.14 1n8j s ILE 96 Ca 0.04 1.87 -0.08 0.00 0.00 0.00 0.00 60.65 62.47 1n8j s ILE 96 Cb -0.24 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1n8j s ILE 96 CO 0.02 0.45 0.10 -0.83 0.00 0.00 0.00 174.94 174.68 1n8j s GLY 97 N -0.75 1.89 -0.47 6.18 0.00 0.18 -3.33 107.32 111.02 1n8j s GLY 97 Ca 0.40 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 44.28 1n8j s GLY 97 CO 0.28 0.31 1.01 1.34 0.00 0.00 0.00 173.10 176.04 1n8j n ASP 98 N 4.19 4.07 -0.01 1.64 2.03 -0.44 -4.14 116.55 123.89 1n8j n ASP 98 Ca -0.16 -3.57 0.23 0.00 0.52 0.00 0.00 54.79 51.81 1n8j n ASP 98 Cb 0.52 -0.51 0.72 0.00 -0.72 0.00 0.00 41.12 41.13 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 2.79 0.00 0.00 -0.67 0.13 -1.68 0.51 132.00 133.08 1n8j h PRO 99 Ca 0.19 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1n8j h PRO 99 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1n8j h PRO 99 CO 0.78 0.00 -0.25 1.79 -0.23 0.00 0.00 178.00 180.09 1n8j h THR 100 N 0.00 0.23 0.00 1.56 1.35 -1.91 -3.47 112.91 110.67 1n8j h THR 100 Ca 0.28 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1n8j h THR 100 Cb 1.32 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1n8j h THR 100 CO -0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1n8j n GLY 101 N 1.15 1.31 0.16 5.82 0.00 0.17 -4.95 105.19 108.85 1n8j n GLY 101 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1n8j n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8j h ALA 102 N 0.00 0.30 -0.45 4.61 0.00 -1.91 0.27 119.26 122.08 1n8j h ALA 102 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1n8j h ALA 102 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1n8j h ALA 102 CO 0.00 -0.43 0.04 1.25 0.00 0.00 0.00 179.25 180.12 1n8j h LEU 103 N 0.05 0.74 -0.89 0.00 6.46 -1.92 -0.13 115.31 119.63 1n8j h LEU 103 Ca 0.18 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1n8j h LEU 103 Cb 0.27 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1n8j h LEU 103 CO -0.35 0.84 0.55 0.74 -0.62 0.00 0.00 178.44 179.60 1n8j h THR 104 N 0.62 1.24 0.00 1.05 2.02 -1.76 -1.82 112.91 114.26 1n8j h THR 104 Ca 0.13 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 1n8j h THR 104 Cb 0.43 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1n8j h THR 104 CO 0.01 0.25 -0.60 0.03 0.37 0.00 0.00 175.52 175.59 1n8j h ARG 105 N 1.21 0.00 -0.64 6.66 3.08 -0.24 0.17 114.38 124.63 1n8j h ARG 105 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1n8j h ARG 105 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1n8j h ARG 105 CO -0.06 0.60 0.34 -0.91 -1.07 0.00 0.00 179.97 178.86 1n8j h ASN 106 N 0.00 0.79 -0.40 7.04 2.35 -0.20 0.00 115.58 125.16 1n8j h ASN 106 Ca -0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1n8j h ASN 106 Cb 1.16 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1n8j h ASN 106 CO 0.08 0.65 0.00 0.49 -1.65 0.00 0.00 177.43 176.99 1n8j n PHE 107 N -4.37 1.01 -4.15 1.19 3.72 -0.91 -4.85 117.46 109.10 1n8j n PHE 107 Ca 0.06 -0.39 -0.31 0.00 -0.05 0.00 0.00 57.45 56.76 1n8j n PHE 107 Cb 0.11 -0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 1n8j n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n8j n ASP 108 N 0.58 -1.28 -0.67 4.37 2.03 -0.01 -4.87 116.55 116.69 1n8j n ASP 108 Ca 0.16 -1.07 0.05 0.00 0.52 0.00 0.00 54.79 54.46 1n8j n ASP 108 Cb 0.65 -2.63 0.20 0.00 -0.72 0.00 0.00 41.12 38.62 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.82 1.81 -4.82 1.67 4.05 0.57 -5.00 115.26 110.71 1n8j n ASN 109 Ca -0.15 -3.86 -0.36 0.00 0.45 0.00 0.00 54.58 50.66 1n8j n ASN 109 Cb 0.60 -0.52 -0.07 0.00 1.23 0.00 0.00 39.78 41.03 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -3.18 3.62 -0.75 1.20 1.75 -1.26 -1.39 119.30 119.28 1n8j s MET 110 Ca 0.38 -0.17 -0.19 0.00 -1.25 0.00 0.00 55.69 54.46 1n8j s MET 110 Cb 0.37 -3.23 0.12 0.00 2.84 0.00 0.00 34.83 34.94 1n8j s MET 110 CO -0.07 0.64 0.90 1.03 -0.65 0.00 0.00 175.02 176.88 1n8j s ARG 111 N -0.63 3.32 0.42 4.11 0.52 0.33 -4.90 118.95 122.12 1n8j s ARG 111 Ca 0.13 -1.54 0.12 0.00 -0.52 0.00 0.00 55.73 53.92 1n8j s ARG 111 Cb -0.12 -4.51 0.97 0.00 0.52 0.00 0.00 34.95 31.82 1n8j s ARG 111 CO 0.02 -1.64 1.99 0.93 0.02 0.00 0.00 175.30 176.63 1n8j h GLU 112 N 8.94 0.45 0.00 3.54 4.39 -1.96 0.74 114.58 130.69 1n8j h GLU 112 Ca -0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1n8j h GLU 112 Cb 1.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1n8j h GLU 112 CO 1.07 0.30 0.00 -0.40 -1.16 0.00 0.00 179.01 178.82 1n8j n ASP 113 N -4.47 0.00 0.00 1.42 5.75 -1.26 -3.71 116.55 114.27 1n8j n ASP 113 Ca 0.09 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 1n8j n ASP 113 Cb 0.30 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n8j n GLU 114 N -1.08 2.02 -1.23 0.11 1.02 -0.49 -5.02 120.64 115.98 1n8j n GLU 114 Ca 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.29 1n8j n GLU 114 Cb 0.13 -0.89 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 2.14 0.67 3.39 0.62 0.00 0.14 -5.03 105.19 107.11 1n8j n GLY 115 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1n8j n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8j s LEU 116 N -1.04 2.43 0.41 0.99 1.43 -1.22 -4.76 118.68 116.92 1n8j s LEU 116 Ca 0.00 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 1n8j s LEU 116 Cb 0.00 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 45.06 1n8j s LEU 116 CO 0.00 0.07 0.89 0.00 0.23 0.00 0.00 176.35 177.55 1n8j s ALA 117 N -1.76 3.13 0.70 4.21 0.00 -1.26 -0.51 121.76 126.26 1n8j s ALA 117 Ca 0.19 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1n8j s ALA 117 Cb -0.07 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1n8j s ALA 117 CO 0.09 0.13 1.09 -0.51 0.00 0.00 0.00 175.76 176.55 1n8j s ASP 118 N -2.35 5.42 -0.95 0.00 1.11 -0.49 -2.97 116.67 116.44 1n8j s ASP 118 Ca 0.59 1.08 -0.24 0.00 0.18 0.00 0.00 52.55 54.17 1n8j s ASP 118 Cb -0.09 -1.88 0.02 0.00 1.07 0.00 0.00 42.92 42.04 1n8j s ASP 118 CO 0.17 -1.34 1.58 -0.60 1.18 0.00 0.00 175.17 176.16 1n8j s ARG 119 N -5.34 3.25 0.02 8.23 3.52 -1.26 -4.05 118.95 123.32 1n8j s ARG 119 Ca 0.58 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1n8j s ARG 119 Cb -0.11 -5.16 -0.02 0.00 -1.56 0.00 0.00 34.95 28.10 1n8j s ARG 119 CO 0.51 -2.54 -0.05 0.00 -0.81 0.00 0.00 175.30 172.42 1n8j s ALA 120 N 6.54 0.31 -0.03 6.12 0.00 -1.22 -0.41 121.76 133.06 1n8j s ALA 120 Ca 0.52 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1n8j s ALA 120 Cb -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1n8j s ALA 120 CO -0.05 -0.05 -0.17 0.99 0.00 0.00 0.00 175.76 176.47 1n8j s THR 121 N -1.07 1.41 -0.11 0.00 2.01 0.13 -1.17 115.64 116.84 1n8j s THR 121 Ca -0.09 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1n8j s THR 121 Cb -0.08 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1n8j s THR 121 CO -0.00 0.40 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.84 1n8j s PHE 122 N -0.20 1.85 -0.25 4.92 0.40 -0.53 -1.56 117.98 122.61 1n8j s PHE 122 Ca 0.02 -0.88 -0.14 0.00 -0.60 0.00 0.00 56.93 55.33 1n8j s PHE 122 Cb -0.09 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1n8j s PHE 122 CO 0.01 -0.48 0.32 0.08 0.70 0.00 0.00 175.22 175.84 1n8j s VAL 123 N 1.14 5.23 -0.09 -0.44 1.01 -0.49 -1.02 120.40 125.74 1n8j s VAL 123 Ca -0.04 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1n8j s VAL 123 Cb -0.14 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1n8j s VAL 123 CO -0.03 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.39 1n8j s VAL 124 N 1.67 2.35 0.78 2.92 1.01 0.24 -0.49 120.40 128.89 1n8j s VAL 124 Ca 0.14 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1n8j s VAL 124 Cb -0.15 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.42 1n8j s VAL 124 CO 0.09 0.56 1.11 1.51 0.00 0.00 0.00 175.10 178.36 1n8j s ASP 125 N 0.12 4.34 0.62 3.32 1.47 -0.30 -0.21 116.67 126.02 1n8j s ASP 125 Ca -0.11 0.38 0.29 0.00 1.18 0.00 0.00 52.55 54.30 1n8j s ASP 125 Cb -0.16 -0.84 1.54 0.00 -0.34 0.00 0.00 42.92 43.11 1n8j s ASP 125 CO 0.06 -1.93 1.91 -0.65 0.68 0.00 0.00 175.17 175.24 1n8j h PRO 126 N -0.90 0.00 -0.17 2.11 0.11 -1.87 0.17 132.00 131.44 1n8j h PRO 126 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n8j h PRO 126 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 126 CO 0.54 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.37 1n8j n GLN 127 N -3.40 1.74 -0.96 1.05 3.00 -1.26 -1.66 117.38 115.89 1n8j n GLN 127 Ca 0.04 -1.11 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 1n8j n GLN 127 Cb 0.53 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.38 1n8j n GLN 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n8j n GLY 128 N 1.13 0.42 3.77 1.08 0.00 0.61 -4.90 105.19 107.30 1n8j n GLY 128 Ca 0.16 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -2.00 5.23 -0.21 -0.61 -1.09 -1.25 -0.34 121.20 120.93 1n8j s ILE 129 Ca 0.00 0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 58.80 1n8j s ILE 129 Cb 0.00 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1n8j s ILE 129 CO 0.00 0.44 1.18 -0.63 -1.23 0.00 0.00 174.94 174.70 1n8j s ILE 130 N -0.00 4.42 -0.06 2.92 1.01 -0.27 -1.15 121.20 128.06 1n8j s ILE 130 Ca 0.20 1.70 0.17 0.00 0.00 0.00 0.00 60.65 62.72 1n8j s ILE 130 Cb -0.14 -4.15 -0.26 0.00 0.01 0.00 0.00 42.46 37.92 1n8j s ILE 130 CO 0.07 -0.21 0.32 0.00 0.00 0.00 0.00 174.94 175.13 1n8j n GLN 131 N 6.60 0.71 -3.80 2.79 1.13 0.36 -0.85 117.38 124.31 1n8j n GLN 131 Ca 0.13 -0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1n8j n GLN 131 Cb 0.46 -1.42 -0.11 0.00 0.11 0.00 0.00 30.24 29.27 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -3.05 -0.57 -0.02 -1.58 0.00 -1.19 -4.92 121.76 110.43 1n8j s ALA 132 Ca -0.07 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1n8j s ALA 132 Cb 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1n8j s ALA 132 CO 0.73 -0.16 0.04 0.42 0.00 0.00 0.00 175.76 176.79 1n8j s ILE 133 N -0.45 -0.02 -0.01 0.00 1.01 -1.26 -1.40 121.20 119.08 1n8j s ILE 133 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1n8j s ILE 133 Cb -0.04 -0.07 0.01 0.00 0.01 0.00 0.00 42.46 42.37 1n8j s ILE 133 CO 0.01 0.02 0.00 -0.70 0.00 0.00 0.00 174.94 174.28 1n8j s GLU 134 N 0.32 0.09 -0.03 2.79 2.12 -0.60 -4.98 118.70 118.40 1n8j s GLU 134 Ca -0.03 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 1n8j s GLU 134 Cb -0.04 -0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.20 1n8j s GLU 134 CO -0.01 -0.05 0.07 0.08 -0.54 0.00 0.00 175.26 174.82 1n8j s VAL 135 N 0.40 -0.05 0.24 3.70 1.01 -1.26 0.19 120.40 124.63 1n8j s VAL 135 Ca -0.03 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1n8j s VAL 135 Cb -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1n8j s VAL 135 CO -0.01 0.07 -0.05 0.42 0.00 0.00 0.00 175.10 175.52 1n8j s THR 136 N 0.92 1.38 0.99 3.92 -4.23 0.45 -5.00 115.64 114.07 1n8j s THR 136 Ca -0.07 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.22 1n8j s THR 136 Cb -0.10 -2.29 0.19 0.00 1.34 0.00 0.00 72.50 71.64 1n8j s THR 136 CO -0.03 -0.40 1.08 0.00 -0.54 0.00 0.00 174.62 174.73 1n8j s ALA 137 N -3.19 0.84 0.18 3.99 0.00 -1.26 -4.08 121.76 118.24 1n8j s ALA 137 Ca 0.27 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1n8j s ALA 137 Cb 0.04 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 20.06 1n8j s ALA 137 CO 0.09 -2.96 1.67 1.49 0.00 0.00 0.00 175.76 176.05 1n8j h GLU 138 N -1.99 0.07 -0.16 0.00 4.57 -2.01 -2.31 114.58 112.75 1n8j h GLU 138 Ca -0.52 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1n8j h GLU 138 Cb 1.30 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1n8j h GLU 138 CO 0.50 0.05 0.00 0.41 -1.18 0.00 0.00 179.01 178.79 1n8j n GLY 139 N -1.32 -0.22 3.33 1.92 0.00 -1.26 -4.82 105.19 102.82 1n8j n GLY 139 Ca 0.05 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1n8j n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 140 N -1.79 3.30 0.37 -0.61 1.01 -0.87 -5.08 121.20 117.53 1n8j s ILE 140 Ca 0.15 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 1n8j s ILE 140 Cb 0.08 -2.47 -0.10 0.00 0.01 0.00 0.00 42.46 39.98 1n8j s ILE 140 CO 0.11 0.46 0.83 -0.83 0.00 0.00 0.00 174.94 175.50 1n8j s GLY 141 N 1.11 2.34 0.35 6.18 0.00 -1.26 -4.63 107.32 111.41 1n8j s GLY 141 Ca 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 1n8j s GLY 141 CO -0.01 0.42 0.62 0.50 0.00 0.00 0.00 173.10 174.63 1n8j s ARG 142 N -3.11 3.62 -0.30 2.90 0.52 -1.26 -5.08 118.95 116.24 1n8j s ARG 142 Ca 0.57 0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.81 1n8j s ARG 142 Cb -0.10 -2.57 0.04 0.00 0.52 0.00 0.00 34.95 32.85 1n8j s ARG 142 CO 0.16 0.10 0.03 0.34 0.02 0.00 0.00 175.30 175.95 1n8j s ASP 143 N -3.43 4.97 0.24 0.23 -1.08 -1.26 -4.87 116.67 111.46 1n8j s ASP 143 Ca 0.45 -1.12 -0.06 0.00 -0.52 0.00 0.00 52.55 51.30 1n8j s ASP 143 Cb -0.10 -1.77 0.42 0.00 -1.46 0.00 0.00 42.92 40.00 1n8j s ASP 143 CO 0.33 -0.26 1.72 0.00 0.52 0.00 0.00 175.17 177.49 1n8j h ALA 144 N 8.09 0.96 -0.88 3.66 0.00 -1.92 -0.62 119.26 128.54 1n8j h ALA 144 Ca -0.24 0.12 0.25 0.00 0.00 0.00 0.00 54.91 55.04 1n8j h ALA 144 Cb 1.08 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1n8j h ALA 144 CO 0.57 -0.24 0.63 0.66 0.00 0.00 0.00 179.25 180.86 1n8j h SER 145 N 0.38 0.07 0.09 0.00 4.64 -1.94 0.60 113.55 117.39 1n8j h SER 145 Ca 0.39 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1n8j h SER 145 Cb 0.59 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1n8j h SER 145 CO -0.41 0.02 -0.46 -0.78 -0.87 0.00 0.00 176.83 174.33 1n8j h ASP 146 N 0.07 0.48 -0.01 4.97 3.58 -1.54 -3.03 116.42 120.94 1n8j h ASP 146 Ca 0.43 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1n8j h ASP 146 Cb 1.60 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.51 1n8j h ASP 146 CO -0.04 0.88 0.00 0.25 -2.88 0.00 0.00 179.24 177.46 1n8j h LEU 147 N 0.36 0.02 -0.77 2.28 5.85 0.22 -3.01 115.31 120.25 1n8j h LEU 147 Ca 0.02 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.64 1n8j h LEU 147 Cb 0.96 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 1n8j h LEU 147 CO 0.08 0.22 0.40 -0.07 -0.34 0.00 0.00 178.44 178.73 1n8j h LEU 148 N -0.18 0.54 -0.62 2.25 3.38 -1.38 0.29 115.31 119.58 1n8j h LEU 148 Ca 0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1n8j h LEU 148 Cb 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1n8j h LEU 148 CO -0.00 0.29 0.41 -0.09 0.09 0.00 0.00 178.44 179.14 1n8j h ARG 149 N 0.66 0.81 -0.40 1.13 2.43 -1.50 0.93 114.38 118.45 1n8j h ARG 149 Ca 0.38 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.36 1n8j h ARG 149 Cb 0.42 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1n8j h ARG 149 CO -0.28 0.53 -0.32 0.87 -1.51 0.00 0.00 179.97 179.26 1n8j h LYS 150 N 0.83 0.93 -0.54 0.20 1.57 -1.16 -0.10 116.57 118.29 1n8j h LYS 150 Ca 0.23 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1n8j h LYS 150 Cb -0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1n8j h LYS 150 CO -0.05 1.12 0.35 0.82 -0.57 0.00 0.00 179.45 181.12 1n8j h ILE 151 N 0.75 1.15 -0.37 1.86 2.04 -0.09 0.34 117.51 123.19 1n8j h ILE 151 Ca 0.07 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1n8j h ILE 151 Cb 0.91 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1n8j h ILE 151 CO 0.08 0.15 0.04 0.11 0.00 0.00 0.00 178.15 178.53 1n8j h LYS 152 N 0.74 0.63 -0.20 2.37 1.57 -0.71 0.39 116.57 121.35 1n8j h LYS 152 Ca 0.20 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1n8j h LYS 152 Cb -0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1n8j h LYS 152 CO -0.04 0.71 -0.05 0.00 -0.57 0.00 0.00 179.45 179.50 1n8j h ALA 153 N 0.89 1.55 -0.18 3.86 0.00 -0.60 0.11 119.26 124.90 1n8j h ALA 153 Ca 0.11 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1n8j h ALA 153 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n8j h ALA 153 CO 0.01 0.33 -0.48 0.00 0.00 0.00 0.00 179.25 179.11 1n8j h ALA 154 N 1.66 0.30 -0.16 0.00 0.00 0.11 -2.77 119.26 118.40 1n8j h ALA 154 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1n8j h ALA 154 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1n8j h ALA 154 CO 0.01 0.46 -0.29 1.96 0.00 0.00 0.00 179.25 181.39 1n8j h GLN 155 N 0.31 0.31 0.71 0.00 4.20 -0.45 -2.74 115.11 117.45 1n8j h GLN 155 Ca -0.01 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1n8j h GLN 155 Cb 1.10 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.86 1n8j h GLN 155 CO 0.10 0.58 -0.34 -0.92 -0.67 0.00 0.00 178.83 177.58 1n8j h TYR 156 N 0.27 -0.88 -0.19 2.96 3.20 -0.75 -2.75 116.97 118.84 1n8j h TYR 156 Ca 0.04 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1n8j h TYR 156 Cb 0.66 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1n8j h TYR 156 CO 0.01 -0.55 0.26 -0.39 -1.64 0.00 0.00 178.16 175.85 1n8j h VAL 157 N -1.12 0.34 0.00 1.81 -1.51 -1.52 0.92 116.25 115.17 1n8j h VAL 157 Ca -0.10 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.23 1n8j h VAL 157 Cb 0.73 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 1n8j h VAL 157 CO 0.16 0.00 -0.68 0.00 -1.23 0.00 0.00 177.57 175.82 1n8j h ALA 158 N 1.66 0.81 -0.33 5.19 0.00 -1.35 -3.17 119.26 122.08 1n8j h ALA 158 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n8j h ALA 158 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n8j h ALA 158 CO -0.00 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1n8j n ALA 159 N -2.38 2.40 -3.18 0.00 0.00 0.21 -4.60 120.51 112.96 1n8j n ALA 159 Ca -0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 53.44 52.29 1n8j n ALA 159 Cb 0.69 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N 1.27 0.36 -1.49 0.00 -0.00 -0.55 -5.08 115.22 109.74 1n8j n HIS 160 Ca 0.17 -3.82 -0.44 0.00 -0.00 0.00 0.00 57.72 53.62 1n8j n HIS 160 Cb 0.55 -0.42 -0.01 0.00 -0.00 0.00 0.00 29.99 30.10 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n8j n PRO 161 N 0.25 0.70 0.00 -0.41 -0.02 -1.25 -1.28 135.00 133.00 1n8j n PRO 161 Ca 0.25 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1n8j n PRO 161 Cb 0.65 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1n8j n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8j n GLY 162 N 1.65 3.28 3.65 -1.23 0.00 -1.26 -5.02 105.19 106.26 1n8j n GLY 162 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1n8j n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 163 N -0.63 2.78 0.01 1.61 2.02 -0.40 -3.72 118.70 120.38 1n8j s GLU 163 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.46 1n8j s GLU 163 Cb 0.00 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 1n8j s GLU 163 CO 0.00 0.64 -0.15 0.14 0.02 0.00 0.00 175.26 175.91 1n8j s VAL 164 N -0.99 1.22 -0.30 2.63 -7.23 0.52 -4.74 120.40 111.52 1n8j s VAL 164 Ca 0.17 -0.85 -0.25 0.00 -1.81 0.00 0.00 61.98 59.24 1n8j s VAL 164 Cb -0.11 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.78 1n8j s VAL 164 CO 0.07 0.20 0.88 0.00 -0.31 0.00 0.00 175.10 175.94 1n8j n PRO 166 N 6.37 -3.04 -2.18 0.00 -0.02 -1.26 -4.89 135.00 129.99 1n8j n PRO 166 Ca 0.07 -1.18 -0.40 0.00 -2.02 0.00 0.00 63.50 59.97 1n8j n PRO 166 Cb 0.48 -1.23 -0.02 0.00 -0.02 0.00 0.00 33.50 32.71 1n8j n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n8j s ALA 167 N -2.71 3.34 0.00 3.55 0.00 -1.26 -2.81 121.76 121.87 1n8j s ALA 167 Ca 0.50 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1n8j s ALA 167 Cb -0.06 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1n8j s ALA 167 CO 0.39 -0.62 0.00 1.63 0.00 0.00 0.00 175.76 177.17 1n8j n LYS 168 N 0.49 -0.22 -1.61 0.00 5.02 -1.26 -4.97 118.16 115.60 1n8j n LYS 168 Ca 0.02 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 1n8j n LYS 168 Cb 0.44 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 1n8j n LYS 168 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1n8j n TRP 169 N -2.19 1.33 -3.91 2.13 -0.00 -1.12 -5.02 117.44 108.67 1n8j n TRP 169 Ca 0.00 0.60 -0.10 0.00 -0.00 0.00 0.00 57.50 57.99 1n8j n TRP 169 Cb 0.05 -2.26 -0.10 0.00 -0.00 0.00 0.00 31.31 29.01 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -1.86 0.50 -0.22 5.87 1.02 -1.26 -4.94 119.74 118.85 1n8j s LYS 170 Ca 0.61 -0.56 -0.38 0.00 0.02 0.00 0.00 55.97 55.66 1n8j s LYS 170 Cb -0.60 0.20 -0.15 0.00 -0.52 0.00 0.00 37.83 36.77 1n8j s LYS 170 CO 0.58 -0.12 1.77 0.39 -0.92 0.00 0.00 175.35 177.06 1n8j n GLU 171 N 1.22 1.44 0.00 1.68 1.02 -1.26 -2.29 120.64 122.46 1n8j n GLU 171 Ca -0.22 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1n8j n GLU 171 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 172 N 4.21 1.41 3.35 0.62 0.00 -1.26 -5.12 105.19 108.40 1n8j n GLY 172 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 1n8j n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 173 N -0.22 1.36 -0.07 1.61 2.02 -0.97 -5.10 118.70 117.33 1n8j s GLU 173 Ca 0.00 -1.65 -0.29 0.00 0.02 0.00 0.00 54.97 53.05 1n8j s GLU 173 Cb 0.00 -0.97 -0.06 0.00 0.10 0.00 0.00 34.13 33.20 1n8j s GLU 173 CO 0.00 0.07 1.84 0.00 0.02 0.00 0.00 175.26 177.19 1n8j s ALA 174 N -3.11 3.42 0.56 5.21 0.00 -1.26 -4.95 121.76 121.63 1n8j s ALA 174 Ca 0.25 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1n8j s ALA 174 Cb 0.02 -3.85 0.06 0.00 0.00 0.00 0.00 23.12 19.35 1n8j s ALA 174 CO 0.08 -1.75 0.77 0.95 0.00 0.00 0.00 175.76 175.81 1n8j s THR 175 N 4.97 2.55 0.03 0.00 -4.23 -1.26 -4.72 115.64 112.97 1n8j s THR 175 Ca 0.82 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1n8j s THR 175 Cb -0.35 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1n8j s THR 175 CO 0.35 0.00 0.08 -0.76 -0.54 0.00 0.00 174.62 173.74 1n8j s LEU 176 N -4.72 3.85 -0.57 4.79 1.43 0.01 -4.94 118.68 118.53 1n8j s LEU 176 Ca 0.59 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 1n8j s LEU 176 Cb -0.08 -2.35 0.16 0.00 0.03 0.00 0.00 46.19 43.94 1n8j s LEU 176 CO 0.38 0.24 0.38 0.00 0.23 0.00 0.00 176.35 177.58 1n8j s ALA 177 N -1.26 2.96 0.39 4.21 0.00 -1.26 -0.35 121.76 126.44 1n8j s ALA 177 Ca 0.25 -3.24 -0.23 0.00 0.00 0.00 0.00 51.96 48.74 1n8j s ALA 177 Cb -0.12 -2.01 -0.13 0.00 0.00 0.00 0.00 23.12 20.86 1n8j s ALA 177 CO 0.17 -2.06 0.51 -2.30 0.00 0.00 0.00 175.76 172.08 1n8j n PRO 178 N 2.64 0.49 -3.76 0.00 -0.02 -1.24 -4.94 135.00 128.17 1n8j n PRO 178 Ca 0.17 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1n8j n PRO 178 Cb 0.37 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.43 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N -0.93 -0.11 0.52 2.55 1.04 -1.26 -5.01 113.70 110.50 1n8j s SER 179 Ca 0.62 -0.40 0.33 0.00 0.48 0.00 0.00 55.95 56.99 1n8j s SER 179 Cb -0.64 0.42 1.36 0.00 0.10 0.00 0.00 66.02 67.26 1n8j s SER 179 CO 0.59 -0.78 1.97 0.25 0.98 0.00 0.00 173.24 176.24 1n8j h LEU 180 N 2.00 0.00 0.00 2.42 6.46 -1.98 -2.98 115.31 121.23 1n8j h LEU 180 Ca -0.26 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.34 1n8j h LEU 180 Cb 1.22 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 1n8j h LEU 180 CO 0.28 0.00 -0.98 0.44 -0.62 0.00 0.00 178.44 177.56 1n8j h ASP 181 N 0.00 0.00 -0.04 1.25 3.32 -1.97 -3.28 116.42 115.69 1n8j h ASP 181 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n8j h ASP 181 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1n8j h ASP 181 CO 0.00 0.66 0.00 0.18 -1.72 0.00 0.00 179.24 178.36 1n8j n LEU 182 N -3.13 1.21 -4.57 1.55 4.77 -1.13 -4.65 117.00 111.06 1n8j n LEU 182 Ca -0.04 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.10 1n8j n LEU 182 Cb 0.83 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 1n8j n LEU 182 CO 0.43 0.22 1.41 -0.69 -1.33 0.00 0.00 177.39 177.42 1n8j s VAL 183 N -1.96 3.60 0.00 4.08 1.01 -1.22 -2.91 120.40 123.00 1n8j s VAL 183 Ca 0.38 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1n8j s VAL 183 Cb 0.20 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1n8j s VAL 183 CO 0.32 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 175.03 1n8j n GLY 184 N 5.43 3.10 0.14 4.51 0.00 -1.26 -4.97 105.19 112.15 1n8j n GLY 184 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1n8j n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j h LYS 185 N 1.82 -0.34 0.00 1.61 1.57 -1.79 -3.55 116.57 115.88 1n8j h LYS 185 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1n8j h LYS 185 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1n8j h LYS 185 CO 0.00 -0.23 0.00 -0.89 -0.57 0.00 0.00 179.45 177.76