#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 2.12 -4.76 2.46 4.77 -1.26 -4.92 117.00 115.41 1n8j n LEU 2 Ca 0.00 -0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 54.66 1n8j n LEU 2 Cb 0.00 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1n8j n LEU 2 CO 0.00 0.45 1.21 -0.51 -1.33 0.00 0.00 177.39 177.22 1n8j s ILE 3 N -1.70 2.04 -0.17 -0.08 1.10 -1.26 -1.79 121.20 119.35 1n8j s ILE 3 Ca 0.33 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.50 1n8j s ILE 3 Cb 0.18 -3.02 0.00 0.00 0.15 0.00 0.00 42.46 39.77 1n8j s ILE 3 CO 0.27 0.01 0.00 -3.20 -2.11 0.00 0.00 174.94 169.90 1n8j n ASN 4 N 1.54 -4.44 -4.90 4.50 4.05 0.45 -4.98 115.26 111.49 1n8j n ASN 4 Ca 0.06 0.04 -0.21 0.00 0.45 0.00 0.00 54.58 54.92 1n8j n ASN 4 Cb 0.38 -2.07 -0.03 0.00 1.23 0.00 0.00 39.78 39.29 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 -1.64 4.18 -0.09 -0.44 -4.23 -0.74 -4.79 115.64 107.89 1n8j s THR 5 Ca 0.00 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1n8j s THR 5 Cb 0.00 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1n8j s THR 5 CO 0.00 -0.24 0.36 -0.75 -0.54 0.00 0.00 174.62 173.45 1n8j s LYS 6 N -3.99 4.06 0.81 3.99 2.20 -1.26 -1.16 119.74 124.39 1n8j s LYS 6 Ca 0.39 0.26 -0.14 0.00 -0.36 0.00 0.00 55.97 56.12 1n8j s LYS 6 Cb -0.08 -3.32 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1n8j s LYS 6 CO 0.28 0.45 1.08 0.44 -0.36 0.00 0.00 175.35 177.24 1n8j n ILE 7 N 2.75 1.90 -3.53 5.43 -5.35 0.58 -4.98 119.36 116.16 1n8j n ILE 7 Ca -0.13 -0.23 -0.24 0.00 -0.27 0.00 0.00 62.75 61.89 1n8j n ILE 7 Cb 0.52 -1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 37.30 1n8j n ILE 7 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1n8j s LYS 8 N -3.92 3.48 0.38 6.28 1.02 -1.26 -5.04 119.74 120.68 1n8j s LYS 8 Ca 0.72 -0.41 -0.27 0.00 0.02 0.00 0.00 55.97 56.02 1n8j s LYS 8 Cb -0.29 -2.73 -0.10 0.00 -0.52 0.00 0.00 37.83 34.19 1n8j s LYS 8 CO 0.53 0.23 1.36 -1.25 -0.92 0.00 0.00 175.35 175.30 1n8j s PRO 9 N -4.14 4.11 0.24 -1.68 0.04 -1.26 -4.87 135.00 127.44 1n8j s PRO 9 Ca 0.39 2.30 -0.03 0.00 0.04 0.00 0.00 61.00 63.69 1n8j s PRO 9 Cb -0.10 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 1n8j s PRO 9 CO 0.34 -0.43 0.25 -0.59 0.04 0.00 0.00 177.00 176.61 1n8j s PHE 10 N -1.18 1.03 -0.29 0.56 -0.12 -1.26 -4.98 117.98 111.74 1n8j s PHE 10 Ca 0.53 -1.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.15 1n8j s PHE 10 Cb -0.41 -0.37 0.18 0.00 -0.63 0.00 0.00 43.02 41.79 1n8j s PHE 10 CO 0.54 -0.78 0.57 0.21 -0.05 0.00 0.00 175.22 175.71 1n8j s LYS 11 N -3.97 0.53 0.05 1.99 2.20 -1.26 -3.25 119.74 116.03 1n8j s LYS 11 Ca 0.35 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1n8j s LYS 11 Cb 0.04 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.74 1n8j s LYS 11 CO 0.14 -0.60 -0.04 -0.80 -0.36 0.00 0.00 175.35 173.68 1n8j s ASN 12 N 2.81 0.57 0.25 1.43 -0.87 0.12 -4.99 114.94 114.27 1n8j s ASN 12 Ca 0.18 -0.76 -0.12 0.00 -1.57 0.00 0.00 52.86 50.59 1n8j s ASN 12 Cb -0.15 0.12 -0.08 0.00 -0.02 0.00 0.00 41.25 41.13 1n8j s ASN 12 CO -0.20 -0.41 0.61 -1.10 -2.57 0.00 0.00 177.10 173.43 1n8j s GLN 13 N -2.70 3.90 0.06 -0.60 -1.52 -1.26 -0.11 119.66 117.43 1n8j s GLN 13 Ca -0.03 0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 53.72 1n8j s GLN 13 Cb -0.01 -2.62 0.01 0.00 -0.22 0.00 0.00 33.01 30.16 1n8j s GLN 13 CO -0.04 0.29 0.24 0.00 -0.25 0.00 0.00 175.29 175.53 1n8j s ALA 14 N -1.81 -0.48 -0.12 6.09 0.00 0.34 -0.52 121.76 125.26 1n8j s ALA 14 Ca 0.48 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 1n8j s ALA 14 Cb -0.12 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1n8j s ALA 14 CO 0.20 -0.43 0.08 0.12 0.00 0.00 0.00 175.76 175.73 1n8j s PHE 15 N -2.94 3.40 -0.27 0.00 5.36 0.42 -1.21 117.98 122.74 1n8j s PHE 15 Ca -0.02 0.34 -0.08 0.00 -0.96 0.00 0.00 56.93 56.21 1n8j s PHE 15 Cb 0.01 -1.92 0.13 0.00 -0.34 0.00 0.00 43.02 40.89 1n8j s PHE 15 CO -0.06 0.54 0.57 0.21 -1.46 0.00 0.00 175.22 175.03 1n8j s LYS 16 N -0.71 0.50 -0.74 10.12 2.20 -0.24 -0.91 119.74 129.95 1n8j s LYS 16 Ca 0.12 1.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.97 1n8j s LYS 16 Cb -0.12 0.65 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1n8j s LYS 16 CO 0.03 -0.27 0.52 0.09 -0.36 0.00 0.00 175.35 175.36 1n8j n ASN 17 N 5.43 -4.09 0.00 1.43 3.02 -1.26 -1.76 115.26 118.04 1n8j n ASN 17 Ca -0.10 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1n8j n ASN 17 Cb 0.49 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 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 -1.53 0.60 3.10 7.41 0.00 -1.26 -5.00 105.19 108.50 1n8j n GLY 18 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 0.60 -0.25 1.61 -1.05 -0.72 -5.13 118.70 113.36 1n8j s GLU 19 Ca 0.00 -1.03 -0.11 0.00 -0.15 0.00 0.00 54.97 53.68 1n8j s GLU 19 Cb 0.00 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.86 1n8j s GLU 19 CO 0.00 -0.13 0.19 -0.06 0.95 0.00 0.00 175.26 176.22 1n8j s PHE 20 N -3.37 3.30 0.25 4.83 0.08 -1.26 -1.08 117.98 120.72 1n8j s PHE 20 Ca 0.02 0.24 0.04 0.00 0.12 0.00 0.00 56.93 57.35 1n8j s PHE 20 Cb 0.04 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.11 1n8j s PHE 20 CO -0.08 -0.00 -0.02 0.96 -0.10 0.00 0.00 175.22 175.98 1n8j s ILE 21 N 1.28 1.21 -0.08 0.64 -4.36 -0.35 -4.97 121.20 114.57 1n8j s ILE 21 Ca 0.09 -2.06 -0.03 0.00 -0.26 0.00 0.00 60.65 58.39 1n8j s ILE 21 Cb -0.14 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 1n8j s ILE 21 CO 0.06 -0.30 0.05 -0.70 0.24 0.00 0.00 174.94 174.30 1n8j s GLU 22 N -3.83 3.12 -0.08 0.37 2.12 -1.26 -0.50 118.70 118.64 1n8j s GLU 22 Ca 0.29 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.31 1n8j s GLU 22 Cb 0.05 -2.91 0.01 0.00 0.26 0.00 0.00 34.13 31.53 1n8j s GLU 22 CO 0.10 0.71 -0.17 0.08 -0.54 0.00 0.00 175.26 175.44 1n8j s VAL 23 N -0.98 1.52 0.33 3.70 1.01 0.85 -4.96 120.40 121.86 1n8j s VAL 23 Ca 0.16 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1n8j s VAL 23 Cb -0.12 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1n8j s VAL 23 CO 0.05 0.44 0.09 0.42 0.00 0.00 0.00 175.10 176.10 1n8j s THR 24 N 0.48 0.87 0.59 3.92 -4.23 -1.26 -0.70 115.64 115.31 1n8j s THR 24 Ca -0.15 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.70 1n8j s THR 24 Cb -0.16 -2.64 0.38 0.00 1.34 0.00 0.00 72.50 71.41 1n8j s THR 24 CO 0.06 0.00 2.27 1.05 -0.54 0.00 0.00 174.62 177.46 1n8j h GLU 25 N 2.11 0.00 -0.14 3.99 9.09 -1.88 -1.72 114.58 126.02 1n8j h GLU 25 Ca -0.39 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.99 1n8j h GLU 25 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1n8j h GLU 25 CO 0.64 0.01 -0.05 0.87 0.05 0.00 0.00 179.01 180.53 1n8j h LYS 26 N 0.00 0.21 0.00 1.06 1.57 -1.95 -0.81 116.57 116.64 1n8j h LYS 26 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1n8j h LYS 26 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1n8j h LYS 26 CO 0.00 0.28 0.00 -0.25 -0.57 0.00 0.00 179.45 178.91 1n8j n ASP 27 N -4.36 0.36 -0.01 0.86 8.00 -0.65 -2.50 116.55 118.25 1n8j n ASP 27 Ca -0.01 0.58 0.09 0.00 0.71 0.00 0.00 54.79 56.17 1n8j n ASP 27 Cb 0.20 -0.66 -0.15 0.00 -0.02 0.00 0.00 41.12 40.49 1n8j n ASP 27 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1n8j n THR 28 N -1.89 0.03 -1.77 -3.53 -2.24 -0.36 -4.84 114.28 99.69 1n8j n THR 28 Ca 0.03 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1n8j n THR 28 Cb 0.22 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 1n8j n THR 28 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1n8j s GLU 29 N -3.34 4.15 0.00 -0.78 2.02 -0.92 -1.90 118.70 117.92 1n8j s GLU 29 Ca -0.07 2.51 0.00 0.00 0.02 0.00 0.00 54.97 57.43 1n8j s GLU 29 Cb 0.12 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1n8j s GLU 29 CO 0.82 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1n8j n GLY 30 N 4.29 0.61 3.48 -1.39 0.00 -0.42 -5.03 105.19 106.73 1n8j n GLY 30 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.79 1.68 0.03 1.61 0.52 -0.80 -4.77 118.95 116.42 1n8j s ARG 31 Ca 0.00 -1.91 -0.19 0.00 -0.52 0.00 0.00 55.73 53.11 1n8j s ARG 31 Cb 0.00 -1.14 -0.06 0.00 0.52 0.00 0.00 34.95 34.27 1n8j s ARG 31 CO 0.00 -0.07 0.55 -1.58 0.02 0.00 0.00 175.30 174.22 1n8j s TRP 32 N -3.07 3.75 0.05 -0.53 0.52 -1.12 -2.20 118.94 116.34 1n8j s TRP 32 Ca 0.34 1.20 0.04 0.00 0.02 0.00 0.00 56.10 57.69 1n8j s TRP 32 Cb 0.07 -2.51 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 1n8j s TRP 32 CO 0.15 0.50 -0.11 -1.12 0.02 0.00 0.00 176.95 176.38 1n8j s SER 33 N -0.73 1.31 -0.15 2.95 0.01 0.76 -0.34 113.70 117.51 1n8j s SER 33 Ca 0.29 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1n8j s SER 33 Cb -0.19 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.04 1n8j s SER 33 CO 0.17 -0.08 -0.12 -0.69 0.41 0.00 0.00 173.24 172.93 1n8j s VAL 34 N -1.13 1.47 -0.39 3.43 1.01 0.13 0.02 120.40 124.93 1n8j s VAL 34 Ca -0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1n8j s VAL 34 Cb -0.09 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1n8j s VAL 34 CO 0.01 0.39 0.28 -0.36 0.00 0.00 0.00 175.10 175.42 1n8j s PHE 35 N 1.52 3.24 -0.46 5.22 0.40 -0.48 -0.45 117.98 126.98 1n8j s PHE 35 Ca 0.04 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.75 1n8j s PHE 35 Cb -0.13 -2.56 0.08 0.00 0.51 0.00 0.00 43.02 40.93 1n8j s PHE 35 CO -0.10 -0.53 0.34 0.12 0.70 0.00 0.00 175.22 175.75 1n8j s PHE 36 N 1.69 3.30 0.06 0.36 5.36 0.23 -1.61 117.98 127.36 1n8j s PHE 36 Ca 0.05 -1.29 -0.15 0.00 -0.96 0.00 0.00 56.93 54.59 1n8j s PHE 36 Cb -0.19 -3.16 -0.06 0.00 -0.34 0.00 0.00 43.02 39.27 1n8j s PHE 36 CO 0.10 -0.85 0.47 -0.06 -1.46 0.00 0.00 175.22 173.42 1n8j s PHE 37 N 1.52 3.70 0.02 10.12 0.40 0.39 0.28 117.98 134.41 1n8j s PHE 37 Ca 0.04 1.04 -0.06 0.00 -0.60 0.00 0.00 56.93 57.34 1n8j s PHE 37 Cb -0.24 -2.33 -0.00 0.00 0.51 0.00 0.00 43.02 40.95 1n8j s PHE 37 CO 0.04 0.57 0.12 1.52 0.70 0.00 0.00 175.22 178.17 1n8j s TYR 38 N -1.21 0.10 0.01 0.36 -0.85 -0.37 -3.15 117.35 112.24 1n8j s TYR 38 Ca 0.29 -0.27 -0.04 0.00 -0.52 0.00 0.00 57.07 56.53 1n8j s TYR 38 Cb -0.17 -0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 1n8j s TYR 38 CO 0.16 -0.31 1.07 -1.35 -1.52 0.00 0.00 175.55 173.60 1n8j h PRO 39 N 4.10 -0.08 -3.29 -3.49 0.11 -1.74 -3.39 132.00 124.22 1n8j h PRO 39 Ca -0.31 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 1n8j h PRO 39 Cb 1.19 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 1n8j h PRO 39 CO 0.43 -0.05 -0.15 0.00 -0.21 0.00 0.00 178.00 178.02 1n8j s ALA 40 N -3.76 -0.84 0.72 -0.75 0.00 -1.26 -4.19 121.76 111.68 1n8j s ALA 40 Ca -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1n8j s ALA 40 Cb 0.01 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1n8j s ALA 40 CO 0.07 -0.52 1.07 -0.51 0.00 0.00 0.00 175.76 175.87 1n8j s ASP 41 N -2.38 5.16 -1.86 0.00 1.11 -1.26 -3.72 116.67 113.71 1n8j s ASP 41 Ca -0.01 1.61 0.00 0.00 0.18 0.00 0.00 52.55 54.33 1n8j s ASP 41 Cb 0.01 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.55 1n8j s ASP 41 CO -0.07 -1.59 0.00 0.49 1.18 0.00 0.00 175.17 175.19 1n8j n PHE 42 N -3.22 -0.13 -0.46 4.23 3.01 -1.26 -4.99 117.46 114.63 1n8j n PHE 42 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1n8j n PHE 42 Cb 0.54 -3.16 0.00 0.00 -0.01 0.00 0.00 39.48 36.85 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 -2.71 0.00 0.03 4.37 -2.24 -1.24 -5.10 114.28 107.38 1n8j n THR 43 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1n8j n THR 43 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.08 -0.10 4.78 3.72 -1.26 -4.67 117.46 119.85 1n8j n PHE 44 Ca 0.00 0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1n8j n PHE 44 Cb 0.00 0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.00 1.30 -0.40 -4.37 2.07 -1.98 -3.29 116.25 109.58 1n8j h VAL 45 Ca 0.00 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.16 1n8j h VAL 45 Cb 0.46 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1n8j h VAL 45 CO 0.00 0.46 -0.05 0.28 0.02 0.00 0.00 177.57 178.28 1n8j h SER 46 N 0.45 -0.26 -0.63 0.57 0.02 -1.89 -2.07 113.55 109.74 1n8j h SER 46 Ca 0.05 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1n8j h SER 46 Cb 0.84 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1n8j h SER 46 CO 0.07 -0.09 0.28 -0.65 -1.14 0.00 0.00 176.83 175.30 1n8j h PRO 47 N 0.05 0.49 -0.48 3.45 0.11 -1.83 0.68 132.00 134.47 1n8j h PRO 47 Ca 0.19 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1n8j h PRO 47 Cb 0.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1n8j h PRO 47 CO -0.37 0.32 0.22 1.79 -0.21 0.00 0.00 178.00 179.76 1n8j h THR 48 N 0.50 1.17 -0.20 -1.15 1.35 -1.50 0.32 112.91 113.40 1n8j h THR 48 Ca 0.30 -0.49 -0.19 0.00 -0.55 0.00 0.00 66.41 65.49 1n8j h THR 48 Cb 0.32 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1n8j h THR 48 CO -0.26 0.20 -0.64 -0.33 -0.25 0.00 0.00 175.52 174.23 1n8j h GLU 49 N 0.67 0.72 -0.11 4.72 5.08 -0.52 -2.11 114.58 123.03 1n8j h GLU 49 Ca 0.17 -0.51 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 1n8j h GLU 49 Cb 0.09 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1n8j h GLU 49 CO -0.02 1.13 -0.69 -0.07 -1.00 0.00 0.00 179.01 178.36 1n8j h LEU 50 N 0.53 0.57 -0.63 1.33 3.38 -0.45 -2.73 115.31 117.31 1n8j h LEU 50 Ca -0.01 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 1n8j h LEU 50 Cb 1.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1n8j h LEU 50 CO 0.13 1.09 -0.49 1.23 0.09 0.00 0.00 178.44 180.50 1n8j h GLY 51 N 1.14 0.55 0.99 0.83 0.00 -0.96 -1.90 103.07 103.71 1n8j h GLY 51 Ca -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1n8j h GLY 51 CO 0.12 0.53 -0.02 -1.80 0.00 0.00 0.00 176.54 175.38 1n8j h ASP 52 N 0.40 -0.04 -0.53 0.19 -0.00 -1.31 -0.38 116.42 114.75 1n8j h ASP 52 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.05 1n8j h ASP 52 Cb 1.00 0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 40.31 1n8j h ASP 52 CO 0.09 -0.03 0.31 0.58 -0.00 0.00 0.00 179.24 180.19 1n8j h VAL 53 N -0.04 1.16 -0.07 2.25 2.07 -1.42 -0.83 116.25 119.38 1n8j h VAL 53 Ca -0.00 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1n8j h VAL 53 Cb 0.04 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1n8j h VAL 53 CO 0.00 0.17 -0.32 0.00 0.02 0.00 0.00 177.57 177.45 1n8j h ALA 54 N 1.59 1.34 0.00 1.67 0.00 -0.65 -1.66 119.26 121.56 1n8j h ALA 54 Ca 0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n8j h ALA 54 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n8j h ALA 54 CO -0.03 0.47 -0.02 -0.44 0.00 0.00 0.00 179.25 179.22 1n8j h ASP 55 N 0.11 0.00 -0.32 0.00 3.32 0.42 -2.19 116.42 117.75 1n8j h ASP 55 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1n8j h ASP 55 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1n8j h ASP 55 CO 0.05 0.02 0.00 1.41 -1.72 0.00 0.00 179.24 179.00 1n8j n HIS 56 N -3.15 0.43 -0.25 4.55 8.25 -0.72 -4.66 115.22 119.67 1n8j n HIS 56 Ca -0.01 -0.44 -0.04 0.00 -0.26 0.00 0.00 57.72 56.97 1n8j n HIS 56 Cb 0.25 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.40 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 2.13 0.83 0.69 4.41 3.20 -0.66 0.22 116.97 127.79 1n8j h TYR 57 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1n8j h TYR 57 Cb 0.71 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1n8j h TYR 57 CO 0.21 0.49 -0.49 0.93 -1.64 0.00 0.00 178.16 177.66 1n8j h GLU 58 N 0.88 -1.09 -1.00 1.82 4.39 -1.83 -0.03 114.58 117.72 1n8j h GLU 58 Ca 0.27 0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.23 1n8j h GLU 58 Cb -0.03 0.25 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 1n8j h GLU 58 CO -0.09 -0.73 0.62 1.49 -1.16 0.00 0.00 179.01 179.14 1n8j h GLU 59 N -1.13 0.74 -0.12 2.33 4.81 -1.84 -1.48 114.58 117.89 1n8j h GLU 59 Ca -0.09 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1n8j h GLU 59 Cb 0.93 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1n8j h GLU 59 CO 0.04 0.49 0.01 -0.07 -0.73 0.00 0.00 179.01 178.76 1n8j h LEU 60 N 0.76 0.20 -1.64 1.64 3.38 -0.43 -2.87 115.31 116.35 1n8j h LEU 60 Ca 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1n8j h LEU 60 Cb 0.88 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1n8j h LEU 60 CO -0.35 0.42 0.01 1.56 0.09 0.00 0.00 178.44 180.16 1n8j h GLN 61 N -0.04 0.23 0.00 1.13 1.08 -0.31 0.65 115.11 117.86 1n8j h GLN 61 Ca 0.04 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1n8j h GLN 61 Cb 0.31 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1n8j h GLN 61 CO 0.00 0.25 -0.05 0.87 -0.95 0.00 0.00 178.83 178.95 1n8j h LYS 62 N 0.23 0.00 -0.68 1.46 1.57 -1.10 -1.78 116.57 116.26 1n8j h LYS 62 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1n8j h LYS 62 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n8j h LYS 62 CO 0.00 0.05 0.00 1.28 -0.57 0.00 0.00 179.45 180.22 1n8j n LEU 63 N -3.28 3.86 -0.97 2.94 4.77 0.17 -4.93 117.00 119.57 1n8j n LEU 63 Ca -0.01 -1.94 -0.11 0.00 -0.03 0.00 0.00 56.01 53.92 1n8j n LEU 63 Cb 0.23 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1n8j n LEU 63 CO 0.27 0.89 -0.12 0.61 -1.33 0.00 0.00 177.39 177.71 1n8j n GLY 64 N 1.50 0.80 3.52 -0.72 0.00 -0.67 -4.94 105.19 104.67 1n8j n GLY 64 Ca 0.23 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.45 4.62 0.05 1.61 1.01 -0.90 -2.78 120.40 121.56 1n8j s VAL 65 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1n8j s VAL 65 Cb 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1n8j s VAL 65 CO 0.00 0.35 0.38 -1.81 0.00 0.00 0.00 175.10 174.02 1n8j s ASP 66 N 1.38 6.66 -0.07 3.32 1.01 0.53 -3.92 116.67 125.59 1n8j s ASP 66 Ca 0.06 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.15 1n8j s ASP 66 Cb -0.15 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 1n8j s ASP 66 CO 0.05 0.22 -0.16 -0.69 0.21 0.00 0.00 175.17 174.80 1n8j s VAL 67 N -1.31 2.89 -0.14 -1.27 1.01 -1.26 -0.70 120.40 119.63 1n8j s VAL 67 Ca 0.30 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1n8j s VAL 67 Cb -0.14 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.13 1n8j s VAL 67 CO 0.16 0.57 -0.06 -0.31 0.00 0.00 0.00 175.10 175.46 1n8j s TYR 68 N -0.37 1.53 -0.04 5.22 1.51 0.41 -3.41 117.35 122.20 1n8j s TYR 68 Ca 0.03 -0.87 -0.17 0.00 -1.01 0.00 0.00 57.07 55.06 1n8j s TYR 68 Cb -0.12 -1.25 -0.05 0.00 -0.11 0.00 0.00 41.96 40.43 1n8j s TYR 68 CO 0.02 -0.55 0.46 -1.54 -1.11 0.00 0.00 175.55 172.83 1n8j s SER 69 N 1.69 6.80 -0.02 2.29 1.04 -0.82 0.77 113.70 125.45 1n8j s SER 69 Ca 0.03 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.44 1n8j s SER 69 Cb -0.14 -2.28 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 1n8j s SER 69 CO -0.08 0.19 -0.12 -0.69 0.98 0.00 0.00 173.24 173.52 1n8j s VAL 70 N -0.40 0.96 0.10 5.02 1.01 0.14 0.04 120.40 127.27 1n8j s VAL 70 Ca 0.25 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1n8j s VAL 70 Cb -0.16 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1n8j s VAL 70 CO 0.13 0.28 0.35 -0.94 0.00 0.00 0.00 175.10 174.92 1n8j s SER 71 N -0.03 -0.16 0.00 3.32 1.04 -1.21 -1.24 113.70 115.42 1n8j s SER 71 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1n8j s SER 71 Cb -0.07 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1n8j s SER 71 CO 0.00 -0.78 0.87 0.35 0.98 0.00 0.00 173.24 174.66 1n8j n THR 72 N -0.02 0.00 -1.84 2.02 -2.24 -1.26 -1.48 114.28 109.46 1n8j n THR 72 Ca -0.16 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 1n8j n THR 72 Cb 0.63 -0.10 0.07 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.90 4.86 0.73 3.42 1.01 -1.26 -3.53 116.67 121.01 1n8j s ASP 73 Ca 0.00 1.00 -0.06 0.00 0.71 0.00 0.00 52.55 54.19 1n8j s ASP 73 Cb 0.00 -1.65 0.09 0.00 1.01 0.00 0.00 42.92 42.37 1n8j s ASP 73 CO 0.00 -1.70 1.04 0.42 0.21 0.00 0.00 175.17 175.14 1n8j s THR 74 N -3.43 2.24 0.09 -1.27 -4.23 -1.26 -2.54 115.64 105.24 1n8j s THR 74 Ca 0.60 -0.32 0.26 0.00 -1.18 0.00 0.00 61.69 61.05 1n8j s THR 74 Cb -0.12 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1n8j s THR 74 CO 0.51 0.00 1.84 1.12 -0.54 0.00 0.00 174.62 177.54 1n8j h HIS 75 N -0.69 0.00 -0.31 3.99 2.07 -1.87 -2.75 115.15 115.58 1n8j h HIS 75 Ca -0.43 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.05 1n8j h HIS 75 Cb 1.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 1n8j h HIS 75 CO 0.03 0.18 0.03 0.74 -3.07 0.00 0.00 177.93 175.84 1n8j h PHE 76 N 0.00 0.58 -0.89 6.12 -1.00 -1.98 -1.58 116.94 118.18 1n8j h PHE 76 Ca -0.00 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 1n8j h PHE 76 Cb 0.73 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 1n8j h PHE 76 CO 0.00 0.64 0.48 1.15 -1.61 0.00 0.00 178.31 178.97 1n8j h THR 77 N 0.35 1.26 -0.55 -1.55 2.02 -1.89 -1.57 112.91 110.97 1n8j h THR 77 Ca 0.09 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1n8j h THR 77 Cb 0.39 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1n8j h THR 77 CO 0.01 0.30 0.30 0.45 0.37 0.00 0.00 175.52 176.95 1n8j h HIS 78 N 1.25 0.76 -0.04 3.16 3.86 -1.26 -1.02 115.15 121.87 1n8j h HIS 78 Ca 0.31 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1n8j h HIS 78 Cb 0.04 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 1n8j h HIS 78 CO 0.01 0.56 0.01 -0.22 0.86 0.00 0.00 177.93 179.15 1n8j h LYS 79 N 0.74 0.03 -0.82 2.45 3.64 -0.74 -0.96 116.57 120.91 1n8j h LYS 79 Ca 0.19 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1n8j h LYS 79 Cb 0.06 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1n8j h LYS 79 CO -0.03 0.02 0.54 0.00 -2.27 0.00 0.00 179.45 177.72 1n8j h ALA 80 N 1.02 1.44 -0.06 5.00 0.00 -1.09 -1.29 119.26 124.29 1n8j h ALA 80 Ca 0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1n8j h ALA 80 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1n8j h ALA 80 CO -0.02 0.51 -0.41 2.35 0.00 0.00 0.00 179.25 181.68 1n8j h TRP 81 N 1.09 0.15 -0.06 0.00 7.01 -0.87 -2.51 115.95 120.75 1n8j h TRP 81 Ca 0.31 -0.04 -0.14 0.00 2.11 0.00 0.00 58.89 61.13 1n8j h TRP 81 Cb -0.08 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1n8j h TRP 81 CO -0.00 0.52 -0.59 1.25 -2.79 0.00 0.00 178.44 176.84 1n8j h HIS 82 N 0.11 0.25 -0.75 2.65 2.76 -0.11 -2.75 115.15 117.31 1n8j h HIS 82 Ca 0.01 -0.09 -0.39 0.00 -2.20 0.00 0.00 60.37 57.69 1n8j h HIS 82 Cb 0.78 -0.05 -0.23 0.00 1.55 0.00 0.00 27.41 29.47 1n8j h HIS 82 CO 0.01 0.74 0.50 0.43 -1.30 0.00 0.00 177.93 178.30 1n8j n SER 83 N -3.88 3.73 0.00 3.26 7.64 -0.60 -3.89 113.62 119.87 1n8j n SER 83 Ca -0.02 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.65 1n8j n SER 83 Cb 0.60 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.71 0.00 -3.91 6.43 3.41 -1.16 -5.01 113.62 112.68 1n8j n SER 84 Ca 0.45 -0.81 -0.27 0.00 -0.26 0.00 0.00 58.87 57.98 1n8j n SER 84 Cb 1.34 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 65.13 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 0.00 2.30 0.24 4.04 0.15 -1.04 -5.03 113.70 114.36 1n8j s SER 85 Ca 0.00 -0.36 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 1n8j s SER 85 Cb 0.00 -0.87 0.36 0.00 -1.71 0.00 0.00 66.02 63.80 1n8j s SER 85 CO 0.00 -0.13 1.84 -0.33 1.20 0.00 0.00 173.24 175.82 1n8j h GLU 86 N 8.16 0.87 -0.59 5.44 4.39 -1.89 0.12 114.58 131.08 1n8j h GLU 86 Ca -0.29 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1n8j h GLU 86 Cb 1.13 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1n8j h GLU 86 CO 0.41 0.58 0.07 1.79 -1.16 0.00 0.00 179.01 180.70 1n8j h THR 87 N 0.90 1.26 -0.03 1.13 1.35 -1.96 -2.67 112.91 112.89 1n8j h THR 87 Ca 0.38 -1.03 -0.09 0.00 -0.55 0.00 0.00 66.41 65.12 1n8j h THR 87 Cb 0.25 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1n8j h THR 87 CO -0.20 0.38 -0.40 0.40 -0.25 0.00 0.00 175.52 175.44 1n8j h ILE 88 N 0.89 1.30 -0.98 6.82 1.08 -1.65 -3.13 117.51 121.84 1n8j h ILE 88 Ca 0.18 -1.42 0.06 0.00 -0.39 0.00 0.00 64.86 63.29 1n8j h ILE 88 Cb 0.46 1.72 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 1n8j h ILE 88 CO 0.02 0.41 0.63 0.00 -0.69 0.00 0.00 178.15 178.52 1n8j h ALA 89 N 1.53 1.36 0.00 1.87 0.00 -0.43 -1.94 119.26 121.64 1n8j h ALA 89 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n8j h ALA 89 Cb 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n8j h ALA 89 CO 0.06 0.42 0.00 0.36 0.00 0.00 0.00 179.25 180.08 1n8j n LYS 90 N -4.52 0.08 -2.17 0.00 2.85 -1.18 -4.76 118.16 108.46 1n8j n LYS 90 Ca 0.15 0.23 -0.42 0.00 -1.05 0.00 0.00 58.31 57.22 1n8j n LYS 90 Cb 0.18 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.81 3.36 0.00 0.58 1.01 -0.73 -4.90 121.20 117.71 1n8j s ILE 91 Ca 0.09 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1n8j s ILE 91 Cb 0.08 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1n8j s ILE 91 CO 0.21 0.06 0.25 0.29 0.00 0.00 0.00 174.94 175.75 1n8j n LYS 92 N 4.29 2.92 -2.48 2.79 5.02 -1.26 -4.74 118.16 124.70 1n8j n LYS 92 Ca 0.12 -0.25 -0.26 0.00 -2.02 0.00 0.00 58.31 55.90 1n8j n LYS 92 Cb 0.42 -0.75 0.03 0.00 -0.02 0.00 0.00 35.03 34.71 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 -0.49 3.25 0.07 2.13 -0.85 -1.26 -4.63 117.35 115.56 1n8j s TYR 93 Ca 0.00 0.59 -0.31 0.00 -0.52 0.00 0.00 57.07 56.83 1n8j s TYR 93 Cb 0.00 -2.68 -0.07 0.00 0.38 0.00 0.00 41.96 39.59 1n8j s TYR 93 CO 0.00 -0.76 1.46 0.00 -1.52 0.00 0.00 175.55 174.73 1n8j s ALA 94 N -2.93 3.62 -0.41 9.51 0.00 -1.22 -4.78 121.76 125.55 1n8j s ALA 94 Ca 0.53 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 1n8j s ALA 94 Cb -0.10 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.46 1n8j s ALA 94 CO 0.44 -0.84 0.27 -1.64 0.00 0.00 0.00 175.76 173.99 1n8j s MET 95 N 1.92 2.85 0.07 0.00 1.00 -0.09 -1.93 119.30 123.11 1n8j s MET 95 Ca 0.67 -1.17 -0.23 0.00 0.00 0.00 0.00 55.69 54.96 1n8j s MET 95 Cb -0.36 -3.88 -0.06 0.00 0.00 0.00 0.00 34.83 30.53 1n8j s MET 95 CO 0.29 -0.81 0.71 0.42 0.00 0.00 0.00 175.02 175.63 1n8j s ILE 96 N 1.58 4.68 -0.24 2.53 1.01 0.11 -0.43 121.20 130.44 1n8j s ILE 96 Ca 0.03 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.07 1n8j s ILE 96 Cb -0.21 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1n8j s ILE 96 CO 0.07 0.44 0.23 -0.83 0.00 0.00 0.00 174.94 174.85 1n8j s GLY 97 N -0.49 1.99 -0.52 6.18 0.00 0.33 -3.32 107.32 111.48 1n8j s GLY 97 Ca 0.35 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 44.30 1n8j s GLY 97 CO 0.22 0.57 0.87 1.34 0.00 0.00 0.00 173.10 176.10 1n8j n ASP 98 N 4.53 3.36 0.32 1.64 2.03 -0.55 -4.12 116.55 123.76 1n8j n ASP 98 Ca -0.13 -3.47 0.21 0.00 0.52 0.00 0.00 54.79 51.92 1n8j n ASP 98 Cb 0.52 -0.58 1.05 0.00 -0.72 0.00 0.00 41.12 41.39 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 3.06 0.00 0.00 -0.67 0.13 -1.69 -1.99 132.00 130.83 1n8j h PRO 99 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1n8j h PRO 99 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1n8j h PRO 99 CO 0.72 0.01 -0.45 0.25 -0.23 0.00 0.00 178.00 178.30 1n8j n THR 100 N -3.15 0.33 -0.74 1.56 -2.24 -1.26 -4.91 114.28 103.87 1n8j n THR 100 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1n8j n THR 100 Cb 0.14 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1n8j n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8j n GLY 101 N 1.36 1.47 0.42 3.38 0.00 -0.75 -4.93 105.19 106.14 1n8j n GLY 101 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.85 -0.51 4.61 0.00 -1.91 0.35 119.26 120.94 1n8j h ALA 102 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1n8j h ALA 102 Cb 0.00 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1n8j h ALA 102 CO 0.00 -1.03 0.20 1.25 0.00 0.00 0.00 179.25 179.67 1n8j h LEU 103 N -0.78 0.22 -1.07 0.00 6.46 -1.91 -1.04 115.31 117.19 1n8j h LEU 103 Ca -0.02 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1n8j h LEU 103 Cb 0.72 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 1n8j h LEU 103 CO -0.12 0.15 0.54 0.74 -0.62 0.00 0.00 178.44 179.13 1n8j h THR 104 N 0.38 1.24 0.00 1.05 2.02 -1.85 -2.04 112.91 113.70 1n8j h THR 104 Ca 0.24 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 1n8j h THR 104 Cb 0.25 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1n8j h THR 104 CO -0.24 0.24 -0.42 0.03 0.37 0.00 0.00 175.52 175.50 1n8j h ARG 105 N 1.20 0.00 -0.04 6.66 3.08 -0.36 -1.52 114.38 123.40 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 -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1n8j h ARG 105 CO -0.06 0.42 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.35 1n8j h ASN 106 N 0.00 0.05 -0.55 7.04 2.35 -0.46 -0.74 115.58 123.27 1n8j h ASN 106 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1n8j h ASN 106 Cb 1.10 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1n8j h ASN 106 CO 0.06 0.07 0.00 0.49 -1.65 0.00 0.00 177.43 176.39 1n8j n PHE 107 N -4.50 1.89 -4.20 1.19 3.72 -1.04 -4.82 117.46 109.71 1n8j n PHE 107 Ca -0.02 -0.73 -0.35 0.00 -0.05 0.00 0.00 57.45 56.30 1n8j n PHE 107 Cb 0.11 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.14 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 0.57 -0.65 -0.37 4.37 2.03 -0.28 -4.85 116.55 117.37 1n8j n ASP 108 Ca 0.27 -1.25 0.06 0.00 0.52 0.00 0.00 54.79 54.39 1n8j n ASP 108 Cb 1.13 -1.82 0.09 0.00 -0.72 0.00 0.00 41.12 39.80 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 -2.70 1.38 -4.70 1.67 4.05 -0.60 -5.03 115.26 109.32 1n8j n ASN 109 Ca -0.27 -2.72 -0.37 0.00 0.45 0.00 0.00 54.58 51.68 1n8j n ASN 109 Cb 0.66 -0.35 -0.07 0.00 1.23 0.00 0.00 39.78 41.25 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 -1.72 4.23 -0.89 1.20 1.75 -1.25 -1.64 119.30 120.97 1n8j s MET 110 Ca 0.22 0.15 -0.21 0.00 -1.25 0.00 0.00 55.69 54.59 1n8j s MET 110 Cb 0.20 -3.47 0.09 0.00 2.84 0.00 0.00 34.83 34.48 1n8j s MET 110 CO -0.00 0.12 1.20 0.50 -0.65 0.00 0.00 175.02 176.18 1n8j s ARG 111 N 0.83 3.47 0.36 4.11 3.52 0.10 -4.89 118.95 126.46 1n8j s ARG 111 Ca 0.18 -1.28 0.09 0.00 -0.13 0.00 0.00 55.73 54.59 1n8j s ARG 111 Cb -0.14 -4.86 0.83 0.00 -1.56 0.00 0.00 34.95 29.23 1n8j s ARG 111 CO 0.06 -1.94 1.87 0.93 -0.81 0.00 0.00 175.30 175.42 1n8j h GLU 112 N 9.35 0.65 0.00 5.12 4.39 -1.95 -0.22 114.58 131.93 1n8j h GLU 112 Ca 0.05 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1n8j h GLU 112 Cb 1.03 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1n8j h GLU 112 CO 1.23 0.43 0.00 -0.40 -1.16 0.00 0.00 179.01 179.11 1n8j n ASP 113 N -4.55 0.00 0.00 1.42 5.75 -1.26 -3.56 116.55 114.35 1n8j n ASP 113 Ca 0.17 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1n8j n ASP 113 Cb 0.47 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.02 2.49 -1.55 0.11 1.02 -0.71 -5.01 120.64 115.97 1n8j n GLU 114 Ca 0.22 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 1n8j n GLU 114 Cb 0.11 -0.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 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 1.48 0.68 3.41 0.62 0.00 -0.18 -5.02 105.19 106.18 1n8j n GLY 115 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.03 2.46 0.33 0.99 1.43 -1.22 -4.79 118.68 115.85 1n8j s LEU 116 Ca 0.00 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.02 1n8j s LEU 116 Cb 0.00 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 1n8j s LEU 116 CO 0.00 0.07 0.81 0.00 0.23 0.00 0.00 176.35 177.46 1n8j s ALA 117 N -1.89 3.26 0.90 4.21 0.00 -1.26 -0.72 121.76 126.25 1n8j s ALA 117 Ca 0.21 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 1n8j s ALA 117 Cb -0.07 -2.92 0.14 0.00 0.00 0.00 0.00 23.12 20.27 1n8j s ALA 117 CO 0.10 0.26 1.18 -0.51 0.00 0.00 0.00 175.76 176.79 1n8j s ASP 118 N -2.04 3.65 -1.22 0.00 -0.00 -0.65 -2.79 116.67 113.61 1n8j s ASP 118 Ca 0.53 0.76 -0.18 0.00 -0.00 0.00 0.00 52.55 53.66 1n8j s ASP 118 Cb -0.12 -1.19 0.09 0.00 -0.00 0.00 0.00 42.92 41.69 1n8j s ASP 118 CO 0.18 -2.44 1.61 -0.13 -0.00 0.00 0.00 175.17 174.39 1n8j s ARG 119 N -5.50 3.93 0.04 8.23 0.52 -1.26 -3.84 118.95 121.07 1n8j s ARG 119 Ca 0.65 -1.96 0.09 0.00 -0.52 0.00 0.00 55.73 53.98 1n8j s ARG 119 Cb -0.11 -5.39 -0.03 0.00 0.52 0.00 0.00 34.95 29.94 1n8j s ARG 119 CO 0.52 -2.13 -0.25 0.00 0.02 0.00 0.00 175.30 173.46 1n8j s ALA 120 N 3.76 2.09 -0.09 2.13 0.00 -1.19 -1.76 121.76 126.71 1n8j s ALA 120 Ca 0.50 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1n8j s ALA 120 Cb 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1n8j s ALA 120 CO 0.03 0.49 -0.14 0.99 0.00 0.00 0.00 175.76 177.13 1n8j s THR 121 N -0.77 1.37 -0.08 0.00 2.01 0.12 -0.46 115.64 117.84 1n8j s THR 121 Ca 0.10 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1n8j s THR 121 Cb -0.10 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1n8j s THR 121 CO 0.02 0.41 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.76 1n8j s PHE 122 N 0.83 2.50 -0.32 4.92 0.40 -0.63 -1.04 117.98 124.64 1n8j s PHE 122 Ca -0.10 -0.84 -0.10 0.00 -0.60 0.00 0.00 56.93 55.29 1n8j s PHE 122 Cb -0.15 -1.65 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 1n8j s PHE 122 CO 0.01 -0.29 0.16 0.08 0.70 0.00 0.00 175.22 175.89 1n8j s VAL 123 N 0.03 4.61 -0.12 -0.44 1.01 -0.34 -1.38 120.40 123.78 1n8j s VAL 123 Ca -0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1n8j s VAL 123 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1n8j s VAL 123 CO 0.06 0.03 -0.10 -0.69 0.00 0.00 0.00 175.10 174.39 1n8j s VAL 124 N 1.61 3.32 0.67 2.92 1.01 0.10 -0.13 120.40 129.90 1n8j s VAL 124 Ca 0.04 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1n8j s VAL 124 Cb -0.17 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1n8j s VAL 124 CO 0.06 0.53 0.98 1.51 0.00 0.00 0.00 175.10 178.19 1n8j s ASP 125 N 0.14 5.10 0.62 3.32 1.47 -0.34 -0.17 116.67 126.81 1n8j s ASP 125 Ca -0.05 0.58 0.26 0.00 1.18 0.00 0.00 52.55 54.52 1n8j s ASP 125 Cb -0.15 -1.35 1.27 0.00 -0.34 0.00 0.00 42.92 42.36 1n8j s ASP 125 CO 0.04 -1.41 1.70 -0.65 0.68 0.00 0.00 175.17 175.53 1n8j h PRO 126 N -0.47 0.00 -0.49 2.11 0.11 -1.74 0.85 132.00 132.37 1n8j h PRO 126 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n8j h PRO 126 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1n8j h PRO 126 CO 0.61 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.44 1n8j n GLN 127 N -3.31 2.21 -1.38 1.05 3.00 -1.26 -1.31 117.38 116.38 1n8j n GLN 127 Ca 0.08 -1.69 -0.11 0.00 -0.01 0.00 0.00 57.00 55.28 1n8j n GLN 127 Cb 0.81 -1.42 -0.04 0.00 0.00 0.00 0.00 30.24 29.58 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 1.15 1.12 3.79 1.08 0.00 0.29 -4.90 105.19 107.72 1n8j n GLY 128 Ca 0.16 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.41 5.25 -0.32 -0.61 -1.09 -1.24 -0.30 121.20 120.47 1n8j s ILE 129 Ca 0.00 0.61 -0.29 0.00 -2.23 0.00 0.00 60.65 58.74 1n8j s ILE 129 Cb 0.00 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1n8j s ILE 129 CO 0.00 0.48 1.14 -0.63 -1.23 0.00 0.00 174.94 174.70 1n8j s ILE 130 N -0.24 4.39 -0.13 2.92 1.01 -0.31 -1.20 121.20 127.65 1n8j s ILE 130 Ca 0.19 1.59 0.17 0.00 0.00 0.00 0.00 60.65 62.60 1n8j s ILE 130 Cb -0.14 -4.36 -0.24 0.00 0.01 0.00 0.00 42.46 37.73 1n8j s ILE 130 CO 0.07 -0.51 0.38 0.00 0.00 0.00 0.00 174.94 174.88 1n8j n GLN 131 N 7.04 0.66 -3.82 2.79 1.13 0.81 -0.42 117.38 125.58 1n8j n GLN 131 Ca 0.13 0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 55.14 1n8j n GLN 131 Cb 0.47 -1.63 -0.10 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.70 -0.53 0.01 -1.58 0.00 -1.22 -4.89 121.76 110.85 1n8j s ALA 132 Ca -0.07 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1n8j s ALA 132 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1n8j s ALA 132 CO 0.83 -0.20 -0.05 0.42 0.00 0.00 0.00 175.76 176.77 1n8j s ILE 133 N -0.94 0.37 -0.08 0.00 1.01 -1.26 -1.19 121.20 119.10 1n8j s ILE 133 Ca -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 1n8j s ILE 133 Cb -0.05 -0.35 0.04 0.00 0.01 0.00 0.00 42.46 42.11 1n8j s ILE 133 CO 0.02 -0.04 0.16 -0.70 0.00 0.00 0.00 174.94 174.38 1n8j s GLU 134 N -0.49 0.07 -0.04 2.79 2.12 -0.21 -4.97 118.70 117.98 1n8j s GLU 134 Ca -0.02 0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1n8j s GLU 134 Cb -0.04 -0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.16 1n8j s GLU 134 CO -0.00 -0.24 -0.05 0.08 -0.54 0.00 0.00 175.26 174.51 1n8j s VAL 135 N 1.74 0.56 0.16 3.70 1.01 -1.26 0.11 120.40 126.43 1n8j s VAL 135 Ca -0.03 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1n8j s VAL 135 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1n8j s VAL 135 CO -0.06 0.22 -0.15 0.42 0.00 0.00 0.00 175.10 175.53 1n8j s THR 136 N 0.76 1.59 0.94 3.92 -4.23 -0.72 -5.02 115.64 112.87 1n8j s THR 136 Ca -0.10 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 1n8j s THR 136 Cb -0.13 -1.82 0.16 0.00 1.34 0.00 0.00 72.50 72.04 1n8j s THR 136 CO 0.00 -0.48 1.11 0.00 -0.54 0.00 0.00 174.62 174.72 1n8j s ALA 137 N -2.50 1.25 0.29 3.99 0.00 -1.26 -4.01 121.76 119.52 1n8j s ALA 137 Ca 0.16 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1n8j s ALA 137 Cb -0.03 -3.37 0.68 0.00 0.00 0.00 0.00 23.12 20.40 1n8j s ALA 137 CO 0.05 -2.78 1.61 1.49 0.00 0.00 0.00 175.76 176.13 1n8j h GLU 138 N -1.87 0.09 -0.14 0.00 4.57 -2.00 -1.73 114.58 113.48 1n8j h GLU 138 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1n8j h GLU 138 Cb 1.28 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1n8j h GLU 138 CO 0.45 0.06 0.00 0.41 -1.18 0.00 0.00 179.01 178.75 1n8j n GLY 139 N -1.44 0.45 3.32 1.92 0.00 -1.26 -4.82 105.19 103.36 1n8j n GLY 139 Ca 0.21 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.82 4.57 0.63 -0.61 1.01 -0.65 -5.08 121.20 119.24 1n8j s ILE 140 Ca 0.34 -1.23 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1n8j s ILE 140 Cb 0.19 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1n8j s ILE 140 CO 0.29 -0.50 1.13 -0.83 0.00 0.00 0.00 174.94 175.04 1n8j s GLY 141 N 2.19 2.36 0.39 6.18 0.00 -1.26 -4.56 107.32 112.61 1n8j s GLY 141 Ca 0.03 0.69 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 1n8j s GLY 141 CO 0.04 1.05 0.62 0.50 0.00 0.00 0.00 173.10 175.31 1n8j s ARG 142 N -3.78 3.47 -0.32 2.90 0.52 -1.26 -5.08 118.95 115.40 1n8j s ARG 142 Ca 0.70 -0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 55.67 1n8j s ARG 142 Cb -0.23 -2.58 0.04 0.00 0.52 0.00 0.00 34.95 32.71 1n8j s ARG 142 CO 0.37 0.02 0.06 0.34 0.02 0.00 0.00 175.30 176.11 1n8j s ASP 143 N -4.07 5.11 0.50 0.23 -1.08 -1.26 -4.89 116.67 111.21 1n8j s ASP 143 Ca 0.43 -1.21 0.21 0.00 -0.52 0.00 0.00 52.55 51.45 1n8j s ASP 143 Cb -0.10 -1.79 1.28 0.00 -1.46 0.00 0.00 42.92 40.84 1n8j s ASP 143 CO 0.39 -0.30 2.01 0.00 0.52 0.00 0.00 175.17 177.79 1n8j h ALA 144 N 8.11 2.30 -0.62 3.66 0.00 -1.93 -1.93 119.26 128.85 1n8j h ALA 144 Ca -0.22 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1n8j h ALA 144 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1n8j h ALA 144 CO 0.57 -0.43 0.37 0.77 0.00 0.00 0.00 179.25 180.53 1n8j h SER 145 N 0.12 0.58 -0.20 0.00 0.02 -1.95 -1.30 113.55 110.82 1n8j h SER 145 Ca 0.23 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1n8j h SER 145 Cb 0.76 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1n8j h SER 145 CO -0.03 0.40 0.03 -0.78 -1.14 0.00 0.00 176.83 175.31 1n8j h ASP 146 N 0.71 0.41 -0.14 3.07 3.58 -1.78 -2.34 116.42 119.93 1n8j h ASP 146 Ca 0.26 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1n8j h ASP 146 Cb 0.08 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1n8j h ASP 146 CO -0.13 0.45 0.04 0.25 -2.88 0.00 0.00 179.24 176.98 1n8j h LEU 147 N 0.44 0.20 -1.31 2.28 5.85 -1.20 -2.96 115.31 118.61 1n8j h LEU 147 Ca 0.10 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1n8j h LEU 147 Cb 0.24 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1n8j h LEU 147 CO 0.00 0.36 0.47 -0.07 -0.34 0.00 0.00 178.44 178.86 1n8j h LEU 148 N 0.03 0.80 -1.63 2.25 3.38 -0.90 -1.04 115.31 118.21 1n8j h LEU 148 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1n8j h LEU 148 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1n8j h LEU 148 CO -0.00 0.58 -0.09 -0.09 0.09 0.00 0.00 178.44 178.93 1n8j h ARG 149 N 0.94 0.13 0.24 1.13 2.43 -1.30 -1.85 114.38 116.10 1n8j h ARG 149 Ca 0.26 -0.02 -0.34 0.00 -0.81 0.00 0.00 59.98 59.08 1n8j h ARG 149 Cb -0.08 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1n8j h ARG 149 CO -0.06 0.23 -1.52 0.87 -1.51 0.00 0.00 179.97 177.97 1n8j h LYS 150 N 0.12 0.51 -0.58 0.20 1.57 -1.08 -2.45 116.57 114.86 1n8j h LYS 150 Ca 0.03 -0.87 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 1n8j h LYS 150 Cb 0.24 0.32 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1n8j h LYS 150 CO 0.01 1.41 0.37 0.82 -0.57 0.00 0.00 179.45 181.50 1n8j h ILE 151 N 0.14 1.16 0.25 1.86 2.04 -1.01 0.14 117.51 122.08 1n8j h ILE 151 Ca -0.27 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1n8j h ILE 151 Cb 2.15 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1n8j h ILE 151 CO 0.26 0.15 -0.12 0.11 0.00 0.00 0.00 178.15 178.55 1n8j h LYS 152 N 0.79 -0.32 -0.79 2.37 1.57 -1.43 0.23 116.57 118.98 1n8j h LYS 152 Ca 0.21 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1n8j h LYS 152 Cb -0.07 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 1n8j h LYS 152 CO -0.04 -0.06 0.42 0.00 -0.57 0.00 0.00 179.45 179.19 1n8j h ALA 153 N 0.13 1.13 -0.58 3.86 0.00 -1.25 0.23 119.26 122.78 1n8j h ALA 153 Ca -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1n8j h ALA 153 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1n8j h ALA 153 CO 0.06 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.40 1n8j h ALA 154 N 1.47 1.06 0.00 0.00 0.00 -0.58 -2.16 119.26 119.05 1n8j h ALA 154 Ca 0.40 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1n8j h ALA 154 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1n8j h ALA 154 CO -0.28 0.60 -0.50 1.96 0.00 0.00 0.00 179.25 181.03 1n8j h GLN 155 N 0.89 0.00 0.28 0.00 4.20 0.78 -2.17 115.11 119.09 1n8j h GLN 155 Ca 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1n8j h GLN 155 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1n8j h GLN 155 CO 0.01 0.50 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.61 1n8j h TYR 156 N 0.00 -0.35 0.00 2.96 3.20 -0.18 -1.97 116.97 120.63 1n8j h TYR 156 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1n8j h TYR 156 Cb 0.93 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 1n8j h TYR 156 CO 0.00 0.01 -0.06 -0.39 -1.64 0.00 0.00 178.16 176.08 1n8j h VAL 157 N -0.80 0.60 -0.30 1.81 -1.51 -1.41 -0.78 116.25 113.86 1n8j h VAL 157 Ca -0.04 -0.23 -0.11 0.00 -1.23 0.00 0.00 66.70 65.09 1n8j h VAL 157 Cb 0.51 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1n8j h VAL 157 CO 0.06 0.05 -0.24 0.00 -1.23 0.00 0.00 177.57 176.22 1n8j h ALA 158 N 1.94 0.43 -0.19 5.19 0.00 -1.28 -3.13 119.26 122.23 1n8j h ALA 158 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1n8j h ALA 158 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n8j h ALA 158 CO 0.01 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1n8j n ALA 159 N -2.48 2.51 -3.11 0.00 0.00 -0.55 -4.49 120.51 112.39 1n8j n ALA 159 Ca -0.03 -0.51 -0.21 0.00 0.00 0.00 0.00 53.44 52.68 1n8j n ALA 159 Cb 0.44 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 0.29 -0.88 -1.64 0.00 -0.00 -0.41 -5.06 115.22 107.52 1n8j n HIS 160 Ca 0.15 -3.25 -0.45 0.00 -0.00 0.00 0.00 57.72 54.17 1n8j n HIS 160 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.27 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 1.37 1.77 0.00 -0.41 -0.02 -1.25 -2.03 135.00 134.43 1n8j n PRO 161 Ca 0.19 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1n8j n PRO 161 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.85 1.40 3.42 -1.23 0.00 -1.26 -5.07 105.19 104.30 1n8j n GLY 162 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.78 1.99 0.14 1.61 2.02 -0.86 -3.73 118.70 119.09 1n8j s GLU 163 Ca 0.00 -1.01 0.09 0.00 0.02 0.00 0.00 54.97 54.07 1n8j s GLU 163 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1n8j s GLU 163 CO 0.00 0.53 -0.22 0.14 0.02 0.00 0.00 175.26 175.73 1n8j s VAL 164 N -0.87 1.97 -0.24 2.63 -7.23 0.61 -4.75 120.40 112.53 1n8j s VAL 164 Ca 0.13 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 1n8j s VAL 164 Cb -0.10 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1n8j s VAL 164 CO 0.04 -0.10 0.30 0.00 -0.31 0.00 0.00 175.10 175.03 1n8j s PRO 166 N 1.53 0.14 0.40 0.00 0.02 -1.26 -4.90 135.00 130.92 1n8j s PRO 166 Ca 0.13 0.14 -0.26 0.00 0.02 0.00 0.00 61.00 61.04 1n8j s PRO 166 Cb -0.15 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 1n8j s PRO 166 CO 0.08 -2.85 1.18 0.00 -0.33 0.00 0.00 177.00 175.08 1n8j n ALA 167 N -4.19 0.87 -0.71 -1.55 0.00 -1.26 -1.72 120.51 111.96 1n8j n ALA 167 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n8j n ALA 167 Cb 0.59 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1n8j n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8j n LYS 168 N 0.19 0.00 -1.51 0.00 5.02 -1.26 -4.94 118.16 115.67 1n8j n LYS 168 Ca 0.07 0.00 -0.52 0.00 -2.02 0.00 0.00 58.31 55.84 1n8j n LYS 168 Cb 0.38 -3.64 -0.05 0.00 -0.02 0.00 0.00 35.03 31.70 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 -2.00 0.64 -3.95 2.13 -0.00 -0.70 -5.00 117.44 108.56 1n8j n TRP 169 Ca 0.00 0.88 -0.09 0.00 -0.00 0.00 0.00 57.50 58.29 1n8j n TRP 169 Cb 0.00 -2.14 -0.10 0.00 -0.00 0.00 0.00 31.31 29.07 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 -0.36 0.46 0.21 5.87 1.02 -1.26 -4.89 119.74 120.79 1n8j s LYS 170 Ca 0.78 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.80 1n8j s LYS 170 Cb -1.03 0.18 -0.16 0.00 -0.52 0.00 0.00 37.83 36.30 1n8j s LYS 170 CO 0.55 -0.10 0.94 0.39 -0.92 0.00 0.00 175.35 176.20 1n8j n GLU 171 N 1.18 0.85 0.00 1.68 1.02 -1.26 -1.65 120.64 122.46 1n8j n GLU 171 Ca -0.21 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1n8j n GLU 171 Cb 0.57 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.70 2.68 3.90 0.62 0.00 -1.26 -5.05 105.19 107.79 1n8j n GLY 172 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.66 3.30 0.19 1.61 2.02 -0.66 -5.02 118.70 119.48 1n8j s GLU 173 Ca 0.00 0.27 -0.31 0.00 0.02 0.00 0.00 54.97 54.95 1n8j s GLU 173 Cb 0.00 -2.25 -0.09 0.00 0.10 0.00 0.00 34.13 31.88 1n8j s GLU 173 CO 0.00 -0.50 1.43 0.00 0.02 0.00 0.00 175.26 176.21 1n8j s ALA 174 N -2.96 3.63 0.45 5.21 0.00 -1.26 -4.93 121.76 121.90 1n8j s ALA 174 Ca 0.52 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.80 1n8j s ALA 174 Cb -0.11 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1n8j s ALA 174 CO 0.47 -0.68 0.48 0.95 0.00 0.00 0.00 175.76 176.98 1n8j s THR 175 N 0.51 2.54 0.08 0.00 -4.23 -1.26 -4.61 115.64 108.67 1n8j s THR 175 Ca 0.62 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.96 1n8j s THR 175 Cb -0.40 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 1n8j s THR 175 CO 0.37 0.00 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.57 1n8j s LEU 176 N -4.27 2.95 -0.40 4.79 1.43 -0.16 -4.95 118.68 118.07 1n8j s LEU 176 Ca 0.50 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1n8j s LEU 176 Cb -0.05 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.53 1n8j s LEU 176 CO 0.30 0.20 0.15 0.00 0.23 0.00 0.00 176.35 177.23 1n8j s ALA 177 N -1.14 2.63 0.08 4.21 0.00 -1.26 -0.28 121.76 126.00 1n8j s ALA 177 Ca 0.19 -2.60 -0.36 0.00 0.00 0.00 0.00 51.96 49.20 1n8j s ALA 177 Cb -0.11 -1.95 -0.15 0.00 0.00 0.00 0.00 23.12 20.91 1n8j s ALA 177 CO 0.11 -1.85 1.50 -2.30 0.00 0.00 0.00 175.76 173.22 1n8j n PRO 178 N 3.90 1.62 -4.01 0.00 -0.02 -1.24 -4.91 135.00 130.33 1n8j n PRO 178 Ca 0.04 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1n8j n PRO 178 Cb 0.38 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.12 0.23 0.42 2.55 1.04 -1.26 -5.03 113.70 112.77 1n8j s SER 179 Ca 0.84 -1.14 0.23 0.00 0.48 0.00 0.00 55.95 56.36 1n8j s SER 179 Cb -0.83 0.63 0.75 0.00 0.10 0.00 0.00 66.02 66.66 1n8j s SER 179 CO 0.45 -1.23 1.75 0.25 0.98 0.00 0.00 173.24 175.44 1n8j h LEU 180 N 2.20 0.00 0.00 2.42 6.46 -1.99 -3.14 115.31 121.25 1n8j h LEU 180 Ca -0.28 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.25 1n8j h LEU 180 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1n8j h LEU 180 CO 0.37 0.25 -1.08 -0.78 -0.62 0.00 0.00 178.44 176.59 1n8j h ASP 181 N 0.00 0.21 0.07 1.25 -0.00 -1.97 -3.25 116.42 112.73 1n8j h ASP 181 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 1n8j h ASP 181 Cb 0.87 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 1n8j h ASP 181 CO 0.03 1.14 0.00 -0.11 -0.00 0.00 0.00 179.24 180.31 1n8j n LEU 182 N -3.48 0.00 -4.60 2.28 0.00 -1.19 -4.71 117.00 105.30 1n8j n LEU 182 Ca -0.04 0.04 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 1n8j n LEU 182 Cb 0.95 -0.04 -0.02 0.00 0.00 0.00 0.00 43.42 44.30 1n8j n LEU 182 CO 0.50 -0.01 1.24 -0.69 0.00 0.00 0.00 177.39 178.43 1n8j s VAL 183 N -2.09 3.91 0.00 1.96 1.01 -1.23 -3.28 120.40 120.68 1n8j s VAL 183 Ca 0.37 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1n8j s VAL 183 Cb 0.18 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1n8j s VAL 183 CO 0.31 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1n8j n GLY 184 N 5.04 0.75 0.31 4.51 0.00 -1.26 -4.95 105.19 109.59 1n8j n GLY 184 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1n8j n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n8j n LYS 185 N -2.14 0.80 0.00 1.61 5.02 -1.20 -5.27 118.16 116.97 1n8j n LYS 185 Ca 0.00 -0.63 0.15 0.00 -2.02 0.00 0.00 58.31 55.81 1n8j n LYS 185 Cb 0.00 -1.48 0.64 0.00 -0.02 0.00 0.00 35.03 34.17 1n8j n LYS 185 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99