#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 2.90 -4.66 1.04 4.77 -1.26 -4.97 117.00 114.81 1n8j n LEU 2 Ca 0.00 -1.22 -0.43 0.00 -0.03 0.00 0.00 56.01 54.33 1n8j n LEU 2 Cb 0.00 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1n8j n LEU 2 CO 0.00 0.61 0.77 0.00 -1.33 0.00 0.00 177.39 177.45 1n8j n ILE 3 N 1.13 2.09 -1.49 -0.08 0.13 -1.26 -1.48 119.36 118.40 1n8j n ILE 3 Ca 0.18 -0.50 -0.17 0.00 -1.10 0.00 0.00 62.75 61.16 1n8j n ILE 3 Cb 0.52 -1.37 -0.07 0.00 -0.84 0.00 0.00 39.64 37.88 1n8j n ILE 3 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1n8j n ASN 4 N 0.82 -5.09 -4.71 9.51 4.05 0.35 -4.98 115.26 115.21 1n8j n ASN 4 Ca 0.07 0.42 -0.23 0.00 0.45 0.00 0.00 54.58 55.28 1n8j n ASN 4 Cb 0.36 -4.08 -0.07 0.00 1.23 0.00 0.00 39.78 37.22 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 -2.60 3.24 0.08 -0.44 -4.23 -0.55 -4.83 115.64 106.30 1n8j s THR 5 Ca 0.00 -1.75 -0.17 0.00 -1.18 0.00 0.00 61.69 58.59 1n8j s THR 5 Cb 0.00 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 1n8j s THR 5 CO 0.00 -0.25 0.53 -0.75 -0.54 0.00 0.00 174.62 173.60 1n8j s LYS 6 N -3.79 4.07 0.56 3.99 2.20 -1.26 -1.26 119.74 124.26 1n8j s LYS 6 Ca 0.35 0.59 -0.19 0.00 -0.36 0.00 0.00 55.97 56.37 1n8j s LYS 6 Cb -0.04 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1n8j s LYS 6 CO 0.22 0.61 1.15 0.96 -0.36 0.00 0.00 175.35 177.93 1n8j s ILE 7 N -1.20 3.02 0.45 5.43 -4.36 -0.37 -4.97 121.20 119.21 1n8j s ILE 7 Ca 0.30 0.63 -0.08 0.00 -0.26 0.00 0.00 60.65 61.24 1n8j s ILE 7 Cb -0.18 -3.24 -0.05 0.00 1.25 0.00 0.00 42.46 40.24 1n8j s ILE 7 CO 0.18 -0.15 0.79 -0.54 0.24 0.00 0.00 174.94 175.46 1n8j s LYS 8 N -3.34 3.66 0.67 0.37 1.02 -1.26 -5.04 119.74 115.82 1n8j s LYS 8 Ca 0.74 0.36 -0.17 0.00 0.02 0.00 0.00 55.97 56.92 1n8j s LYS 8 Cb -0.25 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1n8j s LYS 8 CO 0.29 -0.14 1.21 -2.14 -0.92 0.00 0.00 175.35 173.65 1n8j s PRO 9 N -4.33 2.51 0.20 -1.68 0.02 -1.26 -4.84 135.00 125.61 1n8j s PRO 9 Ca 0.50 1.80 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 1n8j s PRO 9 Cb -0.10 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.60 1n8j s PRO 9 CO 0.39 -1.56 0.66 -0.59 -0.33 0.00 0.00 177.00 175.57 1n8j s PHE 10 N -1.80 -0.40 -0.24 6.54 -0.12 -1.26 -4.97 117.98 115.73 1n8j s PHE 10 Ca 0.76 0.10 -0.04 0.00 -0.05 0.00 0.00 56.93 57.70 1n8j s PHE 10 Cb -0.30 0.62 0.13 0.00 -0.63 0.00 0.00 43.02 42.84 1n8j s PHE 10 CO 0.40 -0.98 0.42 0.21 -0.05 0.00 0.00 175.22 175.22 1n8j s LYS 11 N -3.78 0.38 0.10 1.99 2.20 -1.26 -3.08 119.74 116.29 1n8j s LYS 11 Ca 0.05 0.72 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 1n8j s LYS 11 Cb -0.03 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.10 1n8j s LYS 11 CO -0.05 -0.55 -0.06 -0.80 -0.36 0.00 0.00 175.35 173.53 1n8j s ASN 12 N 2.61 1.12 0.12 1.43 -0.87 -0.11 -4.98 114.94 114.25 1n8j s ASN 12 Ca 0.10 -1.02 -0.11 0.00 -1.57 0.00 0.00 52.86 50.26 1n8j s ASN 12 Cb -0.15 0.10 -0.06 0.00 -0.02 0.00 0.00 41.25 41.12 1n8j s ASN 12 CO -0.16 -0.48 0.45 -1.10 -2.57 0.00 0.00 177.10 173.25 1n8j s GLN 13 N -3.85 3.82 0.07 -0.60 -1.52 -1.26 -0.54 119.66 115.78 1n8j s GLN 13 Ca 0.13 0.26 -0.05 0.00 -1.95 0.00 0.00 55.36 53.74 1n8j s GLN 13 Cb 0.05 -2.94 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1n8j s GLN 13 CO -0.04 0.51 0.08 0.00 -0.25 0.00 0.00 175.29 175.59 1n8j s ALA 14 N -1.47 0.11 -0.16 6.09 0.00 0.17 -0.06 121.76 126.44 1n8j s ALA 14 Ca 0.36 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1n8j s ALA 14 Cb -0.14 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1n8j s ALA 14 CO 0.19 -0.43 -0.04 0.12 0.00 0.00 0.00 175.76 175.60 1n8j s PHE 15 N -3.77 3.02 -0.17 0.00 5.36 0.14 -1.36 117.98 121.21 1n8j s PHE 15 Ca 0.05 -0.32 -0.05 0.00 -0.96 0.00 0.00 56.93 55.66 1n8j s PHE 15 Cb 0.06 -1.96 0.08 0.00 -0.34 0.00 0.00 43.02 40.85 1n8j s PHE 15 CO -0.10 -0.05 0.29 0.21 -1.46 0.00 0.00 175.22 174.10 1n8j s LYS 16 N 0.40 0.20 -1.03 10.12 2.20 -0.19 -0.95 119.74 130.49 1n8j s LYS 16 Ca -0.04 0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 56.04 1n8j s LYS 16 Cb -0.14 -0.28 0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1n8j s LYS 16 CO 0.03 -0.40 0.67 0.09 -0.36 0.00 0.00 175.35 175.38 1n8j n ASN 17 N 5.35 -4.80 0.00 1.43 3.02 -1.26 -2.13 115.26 116.87 1n8j n ASN 17 Ca -0.06 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1n8j n ASN 17 Cb 0.50 -2.13 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 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 -1.85 0.50 3.11 7.41 0.00 -1.26 -5.01 105.19 108.10 1n8j n GLY 18 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.46 0.63 -0.18 1.61 -1.05 -0.90 -5.13 118.70 113.21 1n8j s GLU 19 Ca 0.00 -0.99 -0.16 0.00 -0.15 0.00 0.00 54.97 53.67 1n8j s GLU 19 Cb 0.00 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1n8j s GLU 19 CO 0.00 -0.15 0.40 -0.06 0.95 0.00 0.00 175.26 176.40 1n8j s PHE 20 N -3.37 3.41 0.29 4.83 0.08 -1.26 -1.03 117.98 120.93 1n8j s PHE 20 Ca 0.02 0.66 0.03 0.00 0.12 0.00 0.00 56.93 57.76 1n8j s PHE 20 Cb 0.04 -2.51 -0.06 0.00 -0.57 0.00 0.00 43.02 39.92 1n8j s PHE 20 CO -0.08 0.05 0.08 0.96 -0.10 0.00 0.00 175.22 176.12 1n8j s ILE 21 N 1.10 0.87 -0.12 0.64 -4.36 -0.47 -4.98 121.20 113.89 1n8j s ILE 21 Ca 0.20 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1n8j s ILE 21 Cb -0.15 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 1n8j s ILE 21 CO 0.08 -0.01 -0.08 -0.70 0.24 0.00 0.00 174.94 174.46 1n8j s GLU 22 N -3.96 3.27 -0.06 0.37 2.12 -1.26 -0.65 118.70 118.51 1n8j s GLU 22 Ca 0.37 -0.59 0.05 0.00 0.36 0.00 0.00 54.97 55.15 1n8j s GLU 22 Cb 0.08 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 1n8j s GLU 22 CO 0.14 0.37 -0.20 0.08 -0.54 0.00 0.00 175.26 175.11 1n8j s VAL 23 N -0.01 2.50 0.32 3.70 1.01 0.30 -4.97 120.40 123.24 1n8j s VAL 23 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1n8j s VAL 23 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1n8j s VAL 23 CO 0.03 0.57 0.15 0.42 0.00 0.00 0.00 175.10 176.27 1n8j s THR 24 N -0.26 0.42 0.53 3.92 -4.23 -1.26 -0.94 115.64 113.83 1n8j s THR 24 Ca 0.00 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.83 1n8j s THR 24 Cb -0.13 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.55 1n8j s THR 24 CO 0.03 0.00 2.22 1.05 -0.54 0.00 0.00 174.62 177.37 1n8j h GLU 25 N 2.16 0.00 -0.03 3.99 9.09 -1.87 -1.33 114.58 126.58 1n8j h GLU 25 Ca -0.34 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.06 1n8j h GLU 25 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1n8j h GLU 25 CO 0.54 0.04 0.00 0.87 0.05 0.00 0.00 179.01 180.51 1n8j h LYS 26 N 0.00 0.04 0.00 1.06 6.56 -1.95 -0.92 116.57 121.36 1n8j h LYS 26 Ca -0.00 -0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1n8j h LYS 26 Cb 0.12 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1n8j h LYS 26 CO 0.00 0.05 -0.23 -0.44 -2.06 0.00 0.00 179.45 176.77 1n8j h ASP 27 N 0.04 0.00 0.99 0.86 3.32 -1.64 -2.95 116.42 117.04 1n8j h ASP 27 Ca 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1n8j h ASP 27 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1n8j h ASP 27 CO -0.00 0.23 -1.04 0.71 -1.72 0.00 0.00 179.24 177.42 1n8j h THR 28 N 0.00 0.15 -2.38 0.35 1.35 -1.30 -3.45 112.91 107.63 1n8j h THR 28 Ca -0.00 -1.29 -0.55 0.00 -0.55 0.00 0.00 66.41 64.02 1n8j h THR 28 Cb 0.45 1.69 0.03 0.00 -1.73 0.00 0.00 68.15 68.59 1n8j h THR 28 CO 0.03 0.09 1.12 -0.62 -0.25 0.00 0.00 175.52 175.88 1n8j n GLU 29 N -2.77 2.68 -0.15 4.72 1.02 -0.97 -1.28 120.64 123.89 1n8j n GLU 29 Ca -0.02 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1n8j n GLU 29 Cb 0.63 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 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 4.27 1.15 3.42 0.62 0.00 -0.58 -5.03 105.19 109.04 1n8j n GLY 30 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.55 1.54 0.11 1.61 0.52 -0.41 -4.81 118.95 116.96 1n8j s ARG 31 Ca 0.00 -1.74 -0.17 0.00 -0.52 0.00 0.00 55.73 53.29 1n8j s ARG 31 Cb 0.00 -1.33 -0.07 0.00 0.52 0.00 0.00 34.95 34.07 1n8j s ARG 31 CO 0.00 0.15 0.57 -1.58 0.02 0.00 0.00 175.30 174.46 1n8j s TRP 32 N -2.85 3.73 0.03 -0.53 0.52 -1.16 -2.54 118.94 116.13 1n8j s TRP 32 Ca 0.28 1.20 0.02 0.00 0.02 0.00 0.00 56.10 57.62 1n8j s TRP 32 Cb 0.00 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 1n8j s TRP 32 CO 0.11 0.52 -0.06 -1.12 0.02 0.00 0.00 176.95 176.42 1n8j s SER 33 N -1.36 0.66 -0.14 2.95 0.01 0.79 -1.10 113.70 115.51 1n8j s SER 33 Ca 0.33 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 57.19 1n8j s SER 33 Cb -0.18 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1n8j s SER 33 CO 0.19 -0.15 -0.20 -0.69 0.41 0.00 0.00 173.24 172.80 1n8j s VAL 34 N -1.05 1.94 -0.34 3.43 1.01 -0.58 0.34 120.40 125.15 1n8j s VAL 34 Ca -0.08 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1n8j s VAL 34 Cb -0.08 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1n8j s VAL 34 CO 0.00 0.53 0.18 -0.36 0.00 0.00 0.00 175.10 175.45 1n8j s PHE 35 N 0.98 3.20 -0.44 5.22 0.40 0.26 -1.07 117.98 126.54 1n8j s PHE 35 Ca -0.04 -0.65 -0.08 0.00 -0.60 0.00 0.00 56.93 55.56 1n8j s PHE 35 Cb -0.15 -2.40 0.10 0.00 0.51 0.00 0.00 43.02 41.08 1n8j s PHE 35 CO -0.05 -0.51 0.29 0.12 0.70 0.00 0.00 175.22 175.78 1n8j s PHE 36 N 1.61 3.41 0.05 0.36 5.36 0.62 -0.92 117.98 128.46 1n8j s PHE 36 Ca 0.04 -1.81 -0.18 0.00 -0.96 0.00 0.00 56.93 54.02 1n8j s PHE 36 Cb -0.18 -3.24 -0.06 0.00 -0.34 0.00 0.00 43.02 39.20 1n8j s PHE 36 CO 0.07 -0.93 0.51 -0.06 -1.46 0.00 0.00 175.22 173.35 1n8j s PHE 37 N 1.36 3.78 0.04 10.12 0.40 0.10 0.66 117.98 134.43 1n8j s PHE 37 Ca 0.05 1.18 -0.01 0.00 -0.60 0.00 0.00 56.93 57.54 1n8j s PHE 37 Cb -0.24 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 40.83 1n8j s PHE 37 CO -0.00 0.61 -0.02 1.52 0.70 0.00 0.00 175.22 178.03 1n8j s TYR 38 N -1.09 0.37 0.07 0.36 -0.85 -0.18 -3.11 117.35 112.92 1n8j s TYR 38 Ca 0.27 -0.77 -0.34 0.00 -0.52 0.00 0.00 57.07 55.72 1n8j s TYR 38 Cb -0.19 -0.27 -0.19 0.00 0.38 0.00 0.00 41.96 41.69 1n8j s TYR 38 CO 0.17 -0.29 1.62 -1.35 -1.52 0.00 0.00 175.55 174.17 1n8j h PRO 39 N 3.87 -0.93 -2.34 -3.49 0.11 -1.77 -3.39 132.00 124.06 1n8j h PRO 39 Ca -0.33 0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1n8j h PRO 39 Cb 1.18 0.21 -0.16 0.00 0.11 0.00 0.00 31.00 32.33 1n8j h PRO 39 CO 0.53 -0.62 0.29 0.00 -0.21 0.00 0.00 178.00 178.00 1n8j s ALA 40 N -6.05 -1.74 0.83 -0.75 0.00 -1.26 -4.22 121.76 108.58 1n8j s ALA 40 Ca -0.18 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1n8j s ALA 40 Cb 0.03 0.29 0.09 0.00 0.00 0.00 0.00 23.12 23.53 1n8j s ALA 40 CO 0.62 -0.55 1.09 -0.51 0.00 0.00 0.00 175.76 176.41 1n8j s ASP 41 N -1.93 4.00 -1.46 0.00 1.11 -1.26 -3.85 116.67 113.28 1n8j s ASP 41 Ca -0.03 1.64 -0.08 0.00 0.18 0.00 0.00 52.55 54.26 1n8j s ASP 41 Cb -0.01 -2.33 0.03 0.00 1.07 0.00 0.00 42.92 41.69 1n8j s ASP 41 CO -0.02 -2.33 0.70 0.49 1.18 0.00 0.00 175.17 175.19 1n8j n PHE 42 N -3.70 -2.09 -1.47 4.23 3.01 -1.26 -4.98 117.46 111.20 1n8j n PHE 42 Ca 0.08 0.62 0.00 0.00 1.01 0.00 0.00 57.45 59.16 1n8j n PHE 42 Cb 0.54 -4.12 0.00 0.00 -0.01 0.00 0.00 39.48 35.89 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 -4.46 0.00 0.01 4.37 -2.24 -1.25 -5.12 114.28 105.59 1n8j n THR 43 Ca -0.05 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 1n8j n THR 43 Cb 0.58 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.02 4.78 3.72 -1.26 -4.66 117.46 120.03 1n8j n PHE 44 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1n8j n PHE 44 Cb 0.00 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.34 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 -0.24 1.26 -0.66 -4.37 2.07 -1.97 -3.28 116.25 109.07 1n8j h VAL 45 Ca 0.00 -0.81 0.13 0.00 0.82 0.00 0.00 66.70 66.83 1n8j h VAL 45 Cb 0.24 1.70 -0.13 0.00 -1.52 0.00 0.00 31.29 31.58 1n8j h VAL 45 CO 0.00 0.22 -0.23 0.28 0.02 0.00 0.00 177.57 177.86 1n8j h SER 46 N -0.20 -0.83 -0.53 0.57 0.02 -1.89 -2.20 113.55 108.48 1n8j h SER 46 Ca 0.02 0.22 0.10 0.00 -0.84 0.00 0.00 61.79 61.28 1n8j h SER 46 Cb 0.35 0.48 -0.11 0.00 0.14 0.00 0.00 62.40 63.27 1n8j h SER 46 CO 0.00 -0.26 -0.30 -0.65 -1.14 0.00 0.00 176.83 174.49 1n8j h PRO 47 N -0.06 -0.16 0.00 3.45 0.11 -1.83 0.19 132.00 133.70 1n8j h PRO 47 Ca 0.30 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 1n8j h PRO 47 Cb 0.53 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1n8j h PRO 47 CO -0.70 -0.11 -0.05 1.79 -0.21 0.00 0.00 178.00 178.72 1n8j h THR 48 N -0.17 0.73 0.01 -1.15 1.35 -1.53 -1.10 112.91 111.06 1n8j h THR 48 Ca 0.22 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1n8j h THR 48 Cb 0.53 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1n8j h THR 48 CO -0.62 0.05 -0.00 -0.33 -0.25 0.00 0.00 175.52 174.36 1n8j h GLU 49 N 0.00 -0.01 -0.74 4.72 5.08 -0.39 -1.88 114.58 121.35 1n8j h GLU 49 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1n8j h GLU 49 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1n8j h GLU 49 CO 0.01 0.78 0.44 -0.07 -1.00 0.00 0.00 179.01 179.16 1n8j h LEU 50 N -0.82 0.90 -0.37 1.33 3.38 -0.82 -1.63 115.31 117.27 1n8j h LEU 50 Ca -0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1n8j h LEU 50 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1n8j h LEU 50 CO 0.00 0.70 -0.17 1.23 0.09 0.00 0.00 178.44 180.29 1n8j h GLY 51 N 1.06 0.84 0.78 0.83 0.00 -1.29 -1.25 103.07 104.04 1n8j h GLY 51 Ca 0.27 -0.75 0.08 0.00 0.00 0.00 0.00 47.33 46.93 1n8j h GLY 51 CO -0.05 0.68 0.59 -1.80 0.00 0.00 0.00 176.54 175.96 1n8j h ASP 52 N 0.56 0.89 -0.37 0.19 -0.00 -0.81 0.68 116.42 117.58 1n8j h ASP 52 Ca 0.08 0.01 -0.09 0.00 -0.00 0.00 0.00 57.03 57.03 1n8j h ASP 52 Cb 0.71 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.86 1n8j h ASP 52 CO 0.05 0.56 -0.13 0.58 -0.00 0.00 0.00 179.24 180.29 1n8j h VAL 53 N 1.00 1.28 -0.69 2.25 2.07 -1.02 -2.76 116.25 118.39 1n8j h VAL 53 Ca 0.41 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1n8j h VAL 53 Cb 0.27 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1n8j h VAL 53 CO -0.16 0.41 0.45 0.00 0.02 0.00 0.00 177.57 178.29 1n8j h ALA 54 N 0.81 1.59 0.00 1.67 0.00 -0.00 0.12 119.26 123.44 1n8j h ALA 54 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1n8j h ALA 54 Cb 0.66 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1n8j h ALA 54 CO 0.05 0.35 -0.06 -0.44 0.00 0.00 0.00 179.25 179.14 1n8j h ASP 55 N 0.85 0.00 -0.11 0.00 3.32 -0.63 -2.41 116.42 117.45 1n8j h ASP 55 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1n8j h ASP 55 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1n8j h ASP 55 CO -0.07 0.06 0.00 1.41 -1.72 0.00 0.00 179.24 178.92 1n8j n HIS 56 N -3.44 0.12 -0.33 4.55 8.25 0.20 -4.65 115.22 119.93 1n8j n HIS 56 Ca -0.02 -0.10 0.03 0.00 -0.26 0.00 0.00 57.72 57.38 1n8j n HIS 56 Cb 0.20 -0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.48 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 2.99 1.02 -0.19 4.41 3.20 -0.44 -0.73 116.97 127.23 1n8j h TYR 57 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1n8j h TYR 57 Cb 0.68 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1n8j h TYR 57 CO 0.06 0.46 -0.01 0.93 -1.64 0.00 0.00 178.16 177.97 1n8j h GLU 58 N 0.95 0.05 -0.07 1.82 4.39 -1.83 0.17 114.58 120.07 1n8j h GLU 58 Ca 0.42 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 1n8j h GLU 58 Cb 0.31 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1n8j h GLU 58 CO -0.22 0.03 0.04 1.49 -1.16 0.00 0.00 179.01 179.20 1n8j h GLU 59 N 0.05 0.09 -0.67 2.33 4.81 -1.76 -1.64 114.58 117.79 1n8j h GLU 59 Ca 0.09 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1n8j h GLU 59 Cb 0.12 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1n8j h GLU 59 CO -0.16 0.10 0.34 -0.07 -0.73 0.00 0.00 179.01 178.49 1n8j h LEU 60 N 0.06 0.46 -0.83 1.64 3.38 -0.73 -1.64 115.31 117.66 1n8j h LEU 60 Ca 0.02 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1n8j h LEU 60 Cb 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1n8j h LEU 60 CO -0.00 0.28 0.21 1.56 0.09 0.00 0.00 178.44 180.57 1n8j h GLN 61 N 0.60 1.07 -0.36 1.13 1.08 -0.39 0.29 115.11 118.54 1n8j h GLN 61 Ca 0.32 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1n8j h GLN 61 Cb 0.29 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1n8j h GLN 61 CO -0.23 0.92 0.13 -0.22 -0.95 0.00 0.00 178.83 178.49 1n8j h LYS 62 N 1.03 0.50 -0.02 1.46 3.64 -0.46 0.58 116.57 123.30 1n8j h LYS 62 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1n8j h LYS 62 Cb 0.30 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1n8j h LYS 62 CO -0.01 0.42 0.00 1.28 -2.27 0.00 0.00 179.45 178.88 1n8j n LEU 63 N -4.39 0.23 -0.81 5.20 4.77 -0.70 -4.87 117.00 116.44 1n8j n LEU 63 Ca 0.02 -0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.83 1n8j n LEU 63 Cb 0.14 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1n8j n LEU 63 CO 0.37 0.05 -0.09 0.61 -1.33 0.00 0.00 177.39 176.99 1n8j n GLY 64 N 0.85 0.09 3.40 -0.72 0.00 0.20 -4.95 105.19 104.04 1n8j n GLY 64 Ca 0.15 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.35 3.72 0.34 1.61 1.01 0.02 -2.99 120.40 121.74 1n8j s VAL 65 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1n8j s VAL 65 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1n8j s VAL 65 CO 0.00 0.43 0.59 -1.81 0.00 0.00 0.00 175.10 174.31 1n8j s ASP 66 N 1.13 6.36 -0.05 3.32 1.01 -0.26 -3.78 116.67 124.40 1n8j s ASP 66 Ca 0.02 0.65 0.04 0.00 0.71 0.00 0.00 52.55 53.97 1n8j s ASP 66 Cb -0.14 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1n8j s ASP 66 CO 0.01 -0.29 -0.17 -0.69 0.21 0.00 0.00 175.17 174.24 1n8j s VAL 67 N -2.26 1.46 -0.18 -1.27 1.01 -1.26 -1.53 120.40 116.36 1n8j s VAL 67 Ca 0.43 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1n8j s VAL 67 Cb -0.10 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.06 1n8j s VAL 67 CO 0.34 0.42 -0.03 -0.31 0.00 0.00 0.00 175.10 175.53 1n8j s TYR 68 N 0.20 1.61 0.31 5.22 1.51 -0.23 -3.34 117.35 122.62 1n8j s TYR 68 Ca -0.08 -1.10 -0.15 0.00 -1.01 0.00 0.00 57.07 54.73 1n8j s TYR 68 Cb -0.13 -1.26 -0.09 0.00 -0.11 0.00 0.00 41.96 40.37 1n8j s TYR 68 CO 0.03 -0.63 0.71 -1.54 -1.11 0.00 0.00 175.55 173.02 1n8j s SER 69 N 1.66 6.77 -0.02 2.29 1.04 -0.74 -0.28 113.70 124.42 1n8j s SER 69 Ca -0.01 1.24 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 1n8j s SER 69 Cb -0.16 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.62 1n8j s SER 69 CO -0.07 -0.18 0.04 -0.69 0.98 0.00 0.00 173.24 173.32 1n8j s VAL 70 N -1.95 -0.02 0.12 5.02 1.01 0.21 -0.66 120.40 124.13 1n8j s VAL 70 Ca 0.53 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1n8j s VAL 70 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1n8j s VAL 70 CO 0.18 0.03 0.26 -0.94 0.00 0.00 0.00 175.10 174.63 1n8j s SER 71 N 0.46 0.03 0.00 3.32 1.04 -1.21 -1.01 113.70 116.33 1n8j s SER 71 Ca -0.04 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1n8j s SER 71 Cb -0.05 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1n8j s SER 71 CO -0.01 -0.80 0.97 0.35 0.98 0.00 0.00 173.24 174.73 1n8j n THR 72 N -0.13 0.00 -1.76 2.02 -2.24 -1.26 -1.38 114.28 109.53 1n8j n THR 72 Ca -0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 1n8j n THR 72 Cb 0.63 -0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.11 4.92 0.73 3.42 1.01 -1.26 -3.44 116.67 120.93 1n8j s ASP 73 Ca 0.02 1.14 -0.07 0.00 0.71 0.00 0.00 52.55 54.35 1n8j s ASP 73 Cb 0.01 -1.87 0.08 0.00 1.01 0.00 0.00 42.92 42.14 1n8j s ASP 73 CO 0.01 -1.68 1.04 0.42 0.21 0.00 0.00 175.17 175.18 1n8j s THR 74 N -3.31 2.23 0.29 -1.27 -4.23 -1.26 -2.49 115.64 105.59 1n8j s THR 74 Ca 0.60 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.92 1n8j s THR 74 Cb -0.12 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1n8j s THR 74 CO 0.52 0.00 1.68 1.12 -0.54 0.00 0.00 174.62 177.40 1n8j h HIS 75 N -0.69 0.22 -0.41 3.99 2.07 -1.88 -2.67 115.15 115.78 1n8j h HIS 75 Ca -0.44 -0.07 0.05 0.00 -2.85 0.00 0.00 60.37 57.06 1n8j h HIS 75 Cb 1.31 -0.05 -0.05 0.00 2.57 0.00 0.00 27.41 31.20 1n8j h HIS 75 CO 0.20 0.62 0.14 0.74 -3.07 0.00 0.00 177.93 176.56 1n8j h PHE 76 N 0.15 0.25 -0.78 6.12 -1.00 -1.97 0.30 116.94 120.02 1n8j h PHE 76 Ca 0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1n8j h PHE 76 Cb 0.88 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.35 1n8j h PHE 76 CO 0.01 0.10 0.44 1.15 -1.61 0.00 0.00 178.31 178.40 1n8j h THR 77 N 0.31 1.23 -0.39 -1.55 2.02 -1.90 -1.55 112.91 111.06 1n8j h THR 77 Ca 0.19 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1n8j h THR 77 Cb 0.17 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1n8j h THR 77 CO -0.19 0.25 0.11 0.45 0.37 0.00 0.00 175.52 176.51 1n8j h HIS 78 N 1.08 0.64 -0.29 3.16 3.86 -0.87 -0.66 115.15 122.08 1n8j h HIS 78 Ca 0.28 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1n8j h HIS 78 Cb 0.00 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1n8j h HIS 78 CO 0.01 0.61 0.10 -0.22 0.86 0.00 0.00 177.93 179.29 1n8j h LYS 79 N 0.49 0.23 -0.87 2.45 3.64 -0.51 0.32 116.57 122.31 1n8j h LYS 79 Ca 0.13 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1n8j h LYS 79 Cb 0.28 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1n8j h LYS 79 CO -0.00 0.15 0.47 0.00 -2.27 0.00 0.00 179.45 177.80 1n8j h ALA 80 N 1.18 1.12 -0.46 5.00 0.00 -1.09 -1.81 119.26 123.21 1n8j h ALA 80 Ca 0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n8j h ALA 80 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1n8j h ALA 80 CO -0.13 0.63 -0.11 2.35 0.00 0.00 0.00 179.25 182.00 1n8j h TRP 81 N 1.22 0.92 -0.24 0.00 7.01 -0.54 -2.58 115.95 121.74 1n8j h TRP 81 Ca 0.31 -0.17 -0.07 0.00 2.11 0.00 0.00 58.89 61.06 1n8j h TRP 81 Cb 0.04 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1n8j h TRP 81 CO 0.01 0.89 -0.17 1.25 -2.79 0.00 0.00 178.44 177.63 1n8j h HIS 82 N 0.75 0.44 -0.42 2.65 2.76 -0.57 -2.17 115.15 118.60 1n8j h HIS 82 Ca 0.13 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1n8j h HIS 82 Cb 0.61 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1n8j h HIS 82 CO 0.03 0.57 0.00 0.43 -1.30 0.00 0.00 177.93 177.66 1n8j n SER 83 N -4.19 2.85 0.00 3.26 7.64 -0.71 -3.54 113.62 118.93 1n8j n SER 83 Ca -0.00 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1n8j n SER 83 Cb 0.34 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.68 0.20 -4.22 6.43 3.41 -1.00 -5.04 113.62 114.08 1n8j n SER 84 Ca 0.16 -0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.36 1n8j n SER 84 Cb 0.51 0.23 -0.17 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.27 3.01 0.33 4.04 0.15 -0.84 -5.02 113.70 115.10 1n8j s SER 85 Ca 0.00 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1n8j s SER 85 Cb 0.00 -1.22 0.58 0.00 -1.71 0.00 0.00 66.02 63.67 1n8j s SER 85 CO 0.00 0.18 1.89 -0.33 1.20 0.00 0.00 173.24 176.18 1n8j h GLU 86 N 6.54 0.64 -0.07 5.44 5.08 -1.90 0.09 114.58 130.40 1n8j h GLU 86 Ca -0.23 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1n8j h GLU 86 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1n8j h GLU 86 CO 0.47 0.58 -0.16 1.79 -1.00 0.00 0.00 179.01 180.70 1n8j h THR 87 N 0.63 1.42 -0.00 1.13 1.35 -1.95 -3.16 112.91 112.32 1n8j h THR 87 Ca 0.14 -1.49 -0.07 0.00 -0.55 0.00 0.00 66.41 64.45 1n8j h THR 87 Cb 0.23 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1n8j h THR 87 CO -0.00 0.42 -0.31 0.40 -0.25 0.00 0.00 175.52 175.77 1n8j h ILE 88 N -0.26 1.22 -0.78 6.82 1.08 -1.84 -2.87 117.51 120.88 1n8j h ILE 88 Ca 0.00 -1.06 0.15 0.00 -0.39 0.00 0.00 64.86 63.55 1n8j h ILE 88 Cb 0.75 1.57 -0.05 0.00 -3.07 0.00 0.00 36.82 36.02 1n8j h ILE 88 CO 0.03 0.30 0.52 0.00 -0.69 0.00 0.00 178.15 178.32 1n8j h ALA 89 N 1.69 2.05 -0.09 1.87 0.00 -0.94 -0.96 119.26 122.88 1n8j h ALA 89 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n8j h ALA 89 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n8j h ALA 89 CO 0.04 -0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.39 1n8j n LYS 90 N -4.49 1.22 -2.70 0.00 2.85 -1.08 -4.83 118.16 109.12 1n8j n LYS 90 Ca 0.15 -0.34 -0.43 0.00 -1.05 0.00 0.00 58.31 56.64 1n8j n LYS 90 Cb 0.51 -1.13 -0.02 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.89 4.75 -0.49 0.58 1.01 -0.37 -4.90 121.20 119.90 1n8j s ILE 91 Ca 0.12 1.99 0.10 0.00 0.00 0.00 0.00 60.65 62.86 1n8j s ILE 91 Cb 0.06 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.13 1n8j s ILE 91 CO 0.09 -0.07 0.43 0.29 0.00 0.00 0.00 174.94 175.68 1n8j n LYS 92 N 5.56 3.63 -2.35 2.79 5.02 -1.26 -4.67 118.16 126.88 1n8j n LYS 92 Ca 0.10 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 1n8j n LYS 92 Cb 0.48 -0.98 0.05 0.00 -0.02 0.00 0.00 35.03 34.56 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 -1.94 3.00 0.15 2.13 -0.85 -1.26 -4.57 117.35 114.01 1n8j s TYR 93 Ca 0.04 0.40 -0.31 0.00 -0.52 0.00 0.00 57.07 56.69 1n8j s TYR 93 Cb 0.08 -2.98 -0.08 0.00 0.38 0.00 0.00 41.96 39.36 1n8j s TYR 93 CO 0.41 -1.14 1.35 0.00 -1.52 0.00 0.00 175.55 174.65 1n8j s ALA 94 N -3.08 3.55 -0.41 9.51 0.00 -1.21 -4.71 121.76 125.42 1n8j s ALA 94 Ca 0.58 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 1n8j s ALA 94 Cb -0.11 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.58 1n8j s ALA 94 CO 0.43 -0.57 0.23 -1.64 0.00 0.00 0.00 175.76 174.21 1n8j s MET 95 N 0.60 2.55 0.12 0.00 1.00 -0.12 -1.79 119.30 121.66 1n8j s MET 95 Ca 0.61 -1.45 -0.25 0.00 0.00 0.00 0.00 55.69 54.60 1n8j s MET 95 Cb -0.36 -3.71 -0.07 0.00 0.00 0.00 0.00 34.83 30.68 1n8j s MET 95 CO 0.33 -0.92 0.78 0.42 0.00 0.00 0.00 175.02 175.63 1n8j s ILE 96 N 1.39 4.50 -0.21 2.53 1.01 0.17 -0.68 121.20 129.91 1n8j s ILE 96 Ca 0.03 1.68 -0.12 0.00 0.00 0.00 0.00 60.65 62.24 1n8j s ILE 96 Cb -0.22 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1n8j s ILE 96 CO 0.02 0.46 0.21 -0.83 0.00 0.00 0.00 174.94 174.79 1n8j s GLY 97 N -0.72 2.04 -0.50 6.18 0.00 0.91 -3.30 107.32 111.93 1n8j s GLY 97 Ca 0.37 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.44 1n8j s GLY 97 CO 0.25 0.40 0.87 1.34 0.00 0.00 0.00 173.10 175.96 1n8j n ASP 98 N 4.02 3.13 0.26 1.64 2.03 -0.48 -4.10 116.55 123.06 1n8j n ASP 98 Ca -0.14 -3.44 0.09 0.00 0.52 0.00 0.00 54.79 51.83 1n8j n ASP 98 Cb 0.52 -0.58 0.69 0.00 -0.72 0.00 0.00 41.12 41.03 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 2.99 0.00 0.00 -0.67 0.13 -1.70 -1.03 132.00 131.71 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 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1n8j h PRO 99 CO 0.70 0.02 -0.11 0.25 -0.23 0.00 0.00 178.00 178.64 1n8j n THR 100 N -4.34 0.49 -0.72 1.56 -2.24 -1.26 -4.92 114.28 102.84 1n8j n THR 100 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1n8j n THR 100 Cb 0.11 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.34 1.16 0.18 3.38 0.00 -0.39 -4.92 105.19 105.94 1n8j n GLY 101 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.51 -0.48 4.61 0.00 -1.92 -0.02 119.26 121.97 1n8j h ALA 102 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n8j h ALA 102 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1n8j h ALA 102 CO 0.00 -0.23 0.30 1.25 0.00 0.00 0.00 179.25 180.56 1n8j h LEU 103 N 0.32 0.49 -0.83 0.00 6.46 -1.91 0.59 115.31 120.43 1n8j h LEU 103 Ca 0.20 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1n8j h LEU 103 Cb 0.19 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 1n8j h LEU 103 CO -0.20 0.35 0.49 0.74 -0.62 0.00 0.00 178.44 179.20 1n8j h THR 104 N 0.60 1.24 0.00 1.05 2.02 -1.77 -2.33 112.91 113.71 1n8j h THR 104 Ca 0.18 -0.54 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 1n8j h THR 104 Cb -0.02 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1n8j h THR 104 CO -0.07 0.25 -0.66 0.03 0.37 0.00 0.00 175.52 175.45 1n8j h ARG 105 N 1.15 0.00 -0.73 6.66 3.08 -0.63 0.08 114.38 123.98 1n8j h ARG 105 Ca 0.30 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.38 1n8j h ARG 105 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1n8j h ARG 105 CO -0.05 0.66 0.48 -0.91 -1.07 0.00 0.00 179.97 179.08 1n8j h ASN 106 N 0.00 0.77 -0.41 7.04 2.35 -0.36 0.21 115.58 125.18 1n8j h ASN 106 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n8j h ASN 106 Cb 1.20 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1n8j h ASN 106 CO 0.09 0.53 0.00 0.49 -1.65 0.00 0.00 177.43 176.88 1n8j n PHE 107 N -4.45 0.73 -4.00 1.19 3.72 -1.03 -4.89 117.46 108.72 1n8j n PHE 107 Ca 0.09 -0.32 -0.26 0.00 -0.05 0.00 0.00 57.45 56.91 1n8j n PHE 107 Cb 0.12 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.66 -0.32 -0.45 4.37 2.03 0.74 -4.87 116.55 118.71 1n8j n ASP 108 Ca 0.15 -1.03 0.06 0.00 0.52 0.00 0.00 54.79 54.48 1n8j n ASP 108 Cb 0.47 -2.90 0.09 0.00 -0.72 0.00 0.00 41.12 38.06 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 -2.96 1.38 -4.74 1.67 4.05 -0.02 -5.01 115.26 109.63 1n8j n ASN 109 Ca -0.30 -2.76 -0.39 0.00 0.45 0.00 0.00 54.58 51.59 1n8j n ASN 109 Cb 0.68 -0.36 -0.06 0.00 1.23 0.00 0.00 39.78 41.27 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 -1.73 4.33 -0.78 1.20 1.75 -1.25 -1.14 119.30 121.67 1n8j s MET 110 Ca 0.23 0.63 -0.20 0.00 -1.25 0.00 0.00 55.69 55.10 1n8j s MET 110 Cb 0.22 -3.40 0.11 0.00 2.84 0.00 0.00 34.83 34.60 1n8j s MET 110 CO -0.02 0.23 1.00 1.03 -0.65 0.00 0.00 175.02 176.61 1n8j s ARG 111 N 0.33 3.35 0.37 4.11 0.52 0.07 -4.90 118.95 122.80 1n8j s ARG 111 Ca 0.30 -1.41 0.10 0.00 -0.52 0.00 0.00 55.73 54.21 1n8j s ARG 111 Cb -0.17 -4.57 0.87 0.00 0.52 0.00 0.00 34.95 31.60 1n8j s ARG 111 CO 0.14 -1.74 1.88 0.93 0.02 0.00 0.00 175.30 176.54 1n8j h GLU 112 N 9.10 0.61 0.00 3.54 4.39 -1.95 0.71 114.58 130.98 1n8j h GLU 112 Ca -0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1n8j h GLU 112 Cb 1.05 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1n8j h GLU 112 CO 1.12 0.41 0.00 0.38 -1.16 0.00 0.00 179.01 179.76 1n8j h ASP 113 N 0.63 0.00 0.00 1.42 3.04 -1.95 -3.23 116.42 116.33 1n8j h ASP 113 Ca 0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.22 1n8j h ASP 113 Cb 0.73 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.02 1n8j h ASP 113 CO -0.18 0.00 -1.12 -0.62 -2.04 0.00 0.00 179.24 175.28 1n8j n GLU 114 N -2.78 1.20 -1.24 4.15 1.02 -0.62 -5.00 120.64 117.38 1n8j n GLU 114 Ca 0.01 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1n8j n GLU 114 Cb 0.29 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 1.87 1.01 3.46 0.62 0.00 0.15 -5.01 105.19 107.29 1n8j n GLY 115 Ca -0.01 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.85 2.57 0.34 0.99 1.43 -1.23 -4.80 118.68 116.12 1n8j s LEU 116 Ca 0.00 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 1n8j s LEU 116 Cb 0.00 -1.21 -0.10 0.00 0.03 0.00 0.00 46.19 44.91 1n8j s LEU 116 CO 0.00 0.09 0.82 0.00 0.23 0.00 0.00 176.35 177.49 1n8j s ALA 117 N -1.98 3.24 0.86 4.21 0.00 -1.26 -0.75 121.76 126.08 1n8j s ALA 117 Ca 0.25 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 1n8j s ALA 117 Cb -0.07 -2.93 0.11 0.00 0.00 0.00 0.00 23.12 20.23 1n8j s ALA 117 CO 0.12 0.25 1.17 -0.51 0.00 0.00 0.00 175.76 176.80 1n8j s ASP 118 N -2.09 3.97 -1.18 0.00 1.11 -0.29 -2.92 116.67 115.28 1n8j s ASP 118 Ca 0.55 0.83 -0.20 0.00 0.18 0.00 0.00 52.55 53.90 1n8j s ASP 118 Cb -0.12 -1.33 0.06 0.00 1.07 0.00 0.00 42.92 42.60 1n8j s ASP 118 CO 0.17 -2.25 1.62 -0.13 1.18 0.00 0.00 175.17 175.76 1n8j s ARG 119 N -5.47 3.79 0.01 8.23 0.52 -1.26 -4.02 118.95 120.76 1n8j s ARG 119 Ca 0.63 -1.60 0.07 0.00 -0.52 0.00 0.00 55.73 54.31 1n8j s ARG 119 Cb -0.12 -5.46 -0.02 0.00 0.52 0.00 0.00 34.95 29.87 1n8j s ARG 119 CO 0.51 -2.26 -0.20 0.00 0.02 0.00 0.00 175.30 173.37 1n8j s ALA 120 N 4.66 1.70 -0.09 2.13 0.00 -1.18 -1.22 121.76 127.76 1n8j s ALA 120 Ca 0.51 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1n8j s ALA 120 Cb 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1n8j s ALA 120 CO 0.00 0.40 -0.24 0.99 0.00 0.00 0.00 175.76 176.91 1n8j s THR 121 N -0.64 2.13 -0.11 0.00 2.01 0.14 -0.72 115.64 118.45 1n8j s THR 121 Ca 0.07 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1n8j s THR 121 Cb -0.08 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1n8j s THR 121 CO 0.01 0.56 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.96 1n8j s PHE 122 N 0.15 2.15 -0.30 4.92 0.40 -0.10 -1.52 117.98 123.68 1n8j s PHE 122 Ca -0.13 -1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 55.07 1n8j s PHE 122 Cb -0.16 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1n8j s PHE 122 CO 0.07 -0.49 0.20 0.08 0.70 0.00 0.00 175.22 175.78 1n8j s VAL 123 N 0.88 5.25 -0.14 -0.44 1.01 -0.66 -0.57 120.40 125.72 1n8j s VAL 123 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 1n8j s VAL 123 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1n8j s VAL 123 CO -0.01 0.15 -0.14 -0.69 0.00 0.00 0.00 175.10 174.42 1n8j s VAL 124 N 1.74 2.90 0.93 2.92 1.01 0.15 -0.59 120.40 129.47 1n8j s VAL 124 Ca 0.07 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1n8j s VAL 124 Cb -0.17 -2.22 0.16 0.00 0.00 0.00 0.00 36.38 34.16 1n8j s VAL 124 CO 0.10 0.52 1.23 1.51 0.00 0.00 0.00 175.10 178.46 1n8j s ASP 125 N 0.56 3.35 0.18 3.32 1.47 -0.05 -0.15 116.67 125.35 1n8j s ASP 125 Ca -0.09 0.57 0.11 0.00 1.18 0.00 0.00 52.55 54.32 1n8j s ASP 125 Cb -0.16 -0.85 0.58 0.00 -0.34 0.00 0.00 42.92 42.15 1n8j s ASP 125 CO 0.04 -2.61 1.30 -2.65 0.68 0.00 0.00 175.17 171.92 1n8j n PRO 126 N -3.74 0.07 -0.28 2.11 -0.02 -1.05 -0.70 135.00 131.39 1n8j n PRO 126 Ca 0.11 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 1n8j n PRO 126 Cb 0.60 -1.79 0.26 0.00 -0.02 0.00 0.00 33.50 32.55 1n8j n PRO 126 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n8j n GLN 127 N -1.87 2.61 -0.94 -0.52 3.00 -1.26 -1.53 117.38 116.87 1n8j n GLN 127 Ca -0.01 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.54 1n8j n GLN 127 Cb 0.07 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.48 0.53 3.74 1.08 0.00 0.13 -4.90 105.19 107.23 1n8j n GLY 128 Ca 0.21 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 4.99 -0.31 -0.61 -1.09 -1.25 -1.23 121.20 119.69 1n8j s ILE 129 Ca 0.00 1.33 -0.29 0.00 -2.23 0.00 0.00 60.65 59.46 1n8j s ILE 129 Cb 0.00 -3.98 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1n8j s ILE 129 CO 0.00 0.33 1.25 -0.63 -1.23 0.00 0.00 174.94 174.66 1n8j s ILE 130 N 0.36 4.21 -0.22 2.92 1.01 -0.39 -0.87 121.20 128.22 1n8j s ILE 130 Ca 0.34 1.36 0.18 0.00 0.00 0.00 0.00 60.65 62.53 1n8j s ILE 130 Cb -0.18 -4.23 -0.27 0.00 0.01 0.00 0.00 42.46 37.80 1n8j s ILE 130 CO 0.17 -0.51 0.49 0.00 0.00 0.00 0.00 174.94 175.09 1n8j n GLN 131 N 7.27 0.68 -3.69 2.79 1.13 0.25 -0.49 117.38 125.31 1n8j n GLN 131 Ca 0.14 -0.13 -0.14 0.00 -1.94 0.00 0.00 57.00 54.93 1n8j n GLN 131 Cb 0.47 -1.42 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 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 -3.15 -1.21 -0.01 -1.58 0.00 -1.21 -4.94 121.76 109.67 1n8j s ALA 132 Ca -0.04 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1n8j s ALA 132 Cb 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1n8j s ALA 132 CO 0.76 -0.26 -0.03 0.42 0.00 0.00 0.00 175.76 176.66 1n8j s ILE 133 N -0.28 0.25 -0.05 0.00 1.01 -1.26 -1.66 121.20 119.21 1n8j s ILE 133 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1n8j s ILE 133 Cb -0.03 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.22 1n8j s ILE 133 CO 0.03 0.09 -0.03 -0.70 0.00 0.00 0.00 174.94 174.33 1n8j s GLU 134 N 0.15 0.73 -0.04 2.79 2.12 -0.58 -4.98 118.70 118.89 1n8j s GLU 134 Ca -0.01 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1n8j s GLU 134 Cb -0.04 -0.81 0.02 0.00 0.26 0.00 0.00 34.13 33.56 1n8j s GLU 134 CO -0.00 -0.12 -0.04 0.08 -0.54 0.00 0.00 175.26 174.64 1n8j s VAL 135 N 1.09 0.49 0.18 3.70 1.01 -1.26 0.24 120.40 125.85 1n8j s VAL 135 Ca -0.09 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1n8j s VAL 135 Cb -0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1n8j s VAL 135 CO -0.01 0.22 -0.14 0.42 0.00 0.00 0.00 175.10 175.59 1n8j s THR 136 N 0.99 1.57 0.94 3.92 -4.23 -0.35 -5.01 115.64 113.46 1n8j s THR 136 Ca -0.10 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.20 1n8j s THR 136 Cb -0.14 -1.93 0.16 0.00 1.34 0.00 0.00 72.50 71.92 1n8j s THR 136 CO -0.00 -0.59 1.11 0.00 -0.54 0.00 0.00 174.62 174.59 1n8j s ALA 137 N -2.90 1.24 0.24 3.99 0.00 -1.26 -4.05 121.76 119.02 1n8j s ALA 137 Ca 0.19 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.44 1n8j s ALA 137 Cb -0.01 -3.36 0.44 0.00 0.00 0.00 0.00 23.12 20.19 1n8j s ALA 137 CO 0.05 -2.77 1.67 1.49 0.00 0.00 0.00 175.76 176.20 1n8j h GLU 138 N -1.87 0.21 -0.37 0.00 4.57 -2.00 -2.02 114.58 113.09 1n8j h GLU 138 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1n8j h GLU 138 Cb 1.28 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1n8j h GLU 138 CO 0.46 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 178.83 1n8j n GLY 139 N -1.37 0.62 3.18 1.92 0.00 -1.26 -4.81 105.19 103.47 1n8j n GLY 139 Ca 0.14 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.61 2.52 0.52 -0.61 1.01 -0.76 -5.10 121.20 117.17 1n8j s ILE 140 Ca 0.20 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 1n8j s ILE 140 Cb 0.11 -2.14 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 1n8j s ILE 140 CO 0.13 0.43 0.99 -0.83 0.00 0.00 0.00 174.94 175.66 1n8j s GLY 141 N 1.33 2.07 0.50 6.18 0.00 -1.26 -4.60 107.32 111.55 1n8j s GLY 141 Ca 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 44.72 44.95 1n8j s GLY 141 CO -0.09 0.47 0.74 0.50 0.00 0.00 0.00 173.10 174.72 1n8j s ARG 142 N -4.06 2.89 -0.22 2.90 0.52 -1.26 -5.09 118.95 114.62 1n8j s ARG 142 Ca 0.59 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1n8j s ARG 142 Cb -0.10 -2.49 0.04 0.00 0.52 0.00 0.00 34.95 32.91 1n8j s ARG 142 CO 0.31 -0.47 -0.15 0.34 0.02 0.00 0.00 175.30 175.36 1n8j s ASP 143 N -4.29 3.81 0.54 0.23 -1.08 -1.26 -4.91 116.67 109.71 1n8j s ASP 143 Ca 0.52 -0.98 0.21 0.00 -0.52 0.00 0.00 52.55 51.78 1n8j s ASP 143 Cb -0.10 -1.53 1.45 0.00 -1.46 0.00 0.00 42.92 41.27 1n8j s ASP 143 CO 0.39 -0.09 2.17 0.00 0.52 0.00 0.00 175.17 178.16 1n8j h ALA 144 N 7.88 1.76 -0.36 3.66 0.00 -1.92 -2.01 119.26 128.27 1n8j h ALA 144 Ca -0.34 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1n8j h ALA 144 Cb 1.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1n8j h ALA 144 CO 0.56 0.03 -0.24 0.66 0.00 0.00 0.00 179.25 180.26 1n8j h SER 145 N 0.00 0.72 -0.62 0.00 4.64 -1.94 -1.69 113.55 114.66 1n8j h SER 145 Ca -0.00 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1n8j h SER 145 Cb 0.05 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1n8j h SER 145 CO 0.00 0.94 0.30 0.44 -0.87 0.00 0.00 176.83 177.64 1n8j h ASP 146 N 0.62 0.82 -0.39 4.97 3.45 -1.80 -2.39 116.42 121.69 1n8j h ASP 146 Ca 0.08 -0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.43 1n8j h ASP 146 Cb 0.74 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.27 1n8j h ASP 146 CO 0.06 0.72 0.23 0.25 -1.57 0.00 0.00 179.24 178.92 1n8j h LEU 147 N 0.85 0.36 -1.25 1.55 5.85 -1.29 -2.59 115.31 118.79 1n8j h LEU 147 Ca 0.21 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1n8j h LEU 147 Cb 0.12 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1n8j h LEU 147 CO -0.03 0.26 0.51 -0.07 -0.34 0.00 0.00 178.44 178.78 1n8j h LEU 148 N 0.46 0.87 -0.78 2.25 3.38 -0.97 -1.39 115.31 119.13 1n8j h LEU 148 Ca 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1n8j h LEU 148 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1n8j h LEU 148 CO -0.08 0.62 0.21 -0.09 0.09 0.00 0.00 178.44 179.20 1n8j h ARG 149 N 1.02 1.13 -0.52 1.13 2.43 -1.07 -1.75 114.38 116.76 1n8j h ARG 149 Ca 0.29 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1n8j h ARG 149 Cb -0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1n8j h ARG 149 CO -0.07 0.97 -0.16 0.87 -1.51 0.00 0.00 179.97 180.07 1n8j h LYS 150 N 1.08 1.02 -0.42 0.20 1.57 -1.05 -1.75 116.57 117.23 1n8j h LYS 150 Ca 0.23 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1n8j h LYS 150 Cb 0.32 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1n8j h LYS 150 CO -0.01 1.09 0.12 0.82 -0.57 0.00 0.00 179.45 180.90 1n8j h ILE 151 N 0.89 1.22 -0.65 1.86 2.04 -1.06 0.14 117.51 121.96 1n8j h ILE 151 Ca 0.13 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1n8j h ILE 151 Cb 0.73 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1n8j h ILE 151 CO 0.06 0.27 0.30 0.11 0.00 0.00 0.00 178.15 178.89 1n8j h LYS 152 N 0.53 0.94 -0.44 2.37 1.57 -1.24 0.34 116.57 120.64 1n8j h LYS 152 Ca 0.13 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1n8j h LYS 152 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1n8j h LYS 152 CO -0.00 0.76 0.14 0.00 -0.57 0.00 0.00 179.45 179.78 1n8j h ALA 153 N 1.13 0.58 -0.66 3.86 0.00 -1.04 0.34 119.26 123.47 1n8j h ALA 153 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n8j h ALA 153 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1n8j h ALA 153 CO -0.03 0.23 0.40 0.00 0.00 0.00 0.00 179.25 179.85 1n8j h ALA 154 N 0.99 0.84 -0.47 0.00 0.00 -0.17 -0.92 119.26 119.54 1n8j h ALA 154 Ca 0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1n8j h ALA 154 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1n8j h ALA 154 CO -0.00 0.32 -0.07 1.96 0.00 0.00 0.00 179.25 181.45 1n8j h GLN 155 N 0.90 0.82 -0.27 0.00 4.20 -0.05 -2.01 115.11 118.71 1n8j h GLN 155 Ca 0.24 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1n8j h GLN 155 Cb -0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1n8j h GLN 155 CO -0.04 0.87 0.07 -0.92 -0.67 0.00 0.00 178.83 178.14 1n8j h TYR 156 N 0.75 0.45 -0.29 2.96 3.20 -0.44 -1.49 116.97 122.12 1n8j h TYR 156 Ca 0.13 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1n8j h TYR 156 Cb 0.56 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1n8j h TYR 156 CO 0.03 0.50 -0.02 -0.39 -1.64 0.00 0.00 178.16 176.64 1n8j h VAL 157 N 0.27 1.18 -0.05 1.81 -1.51 -1.02 -0.27 116.25 116.66 1n8j h VAL 157 Ca 0.09 -0.74 -0.09 0.00 -1.23 0.00 0.00 66.70 64.72 1n8j h VAL 157 Cb 0.28 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1n8j h VAL 157 CO 0.00 0.25 -0.40 0.00 -1.23 0.00 0.00 177.57 176.19 1n8j h ALA 158 N 1.56 1.23 0.00 5.19 0.00 -1.09 -2.80 119.26 123.35 1n8j h ALA 158 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1n8j h ALA 158 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n8j h ALA 158 CO 0.01 0.55 -0.54 0.00 0.00 0.00 0.00 179.25 179.27 1n8j n ALA 159 N -2.47 3.16 -3.39 0.00 0.00 -0.58 -4.53 120.51 112.70 1n8j n ALA 159 Ca -0.02 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1n8j n ALA 159 Cb 0.45 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.81 0.85 -1.68 0.00 -0.00 -0.19 -5.08 115.22 107.31 1n8j n HIS 160 Ca 0.04 -3.73 -0.40 0.00 -0.00 0.00 0.00 57.72 53.63 1n8j n HIS 160 Cb 0.39 -0.27 0.02 0.00 -0.00 0.00 0.00 29.99 30.13 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 1.74 1.70 -0.61 -0.41 -0.02 -1.24 -1.42 135.00 134.75 1n8j n PRO 161 Ca 0.25 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1n8j n PRO 161 Cb 0.47 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.92 0.84 3.25 -1.23 0.00 -1.26 -5.02 105.19 102.68 1n8j n GLY 162 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.37 1.10 0.06 1.61 2.02 -0.51 -3.85 118.70 118.77 1n8j s GLU 163 Ca 0.00 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 53.94 1n8j s GLU 163 Cb 0.00 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.91 1n8j s GLU 163 CO 0.00 0.30 -0.05 0.14 0.02 0.00 0.00 175.26 175.67 1n8j s VAL 164 N -1.09 0.45 -0.27 2.63 -7.23 -0.39 -4.79 120.40 109.70 1n8j s VAL 164 Ca 0.05 -1.56 -0.10 0.00 -1.81 0.00 0.00 61.98 58.56 1n8j s VAL 164 Cb -0.10 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1n8j s VAL 164 CO 0.03 -0.74 0.15 0.00 -0.31 0.00 0.00 175.10 174.23 1n8j s PRO 166 N 1.71 -1.81 0.34 0.00 0.04 -1.26 -4.87 135.00 129.15 1n8j s PRO 166 Ca 0.07 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 60.94 1n8j s PRO 166 Cb -0.16 -1.51 -0.11 0.00 0.04 0.00 0.00 34.50 32.76 1n8j s PRO 166 CO 0.09 -4.14 1.48 0.00 0.04 0.00 0.00 177.00 174.47 1n8j s ALA 167 N -2.66 3.61 -0.60 8.56 0.00 -1.26 -2.52 121.76 126.89 1n8j s ALA 167 Ca 0.69 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1n8j s ALA 167 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1n8j s ALA 167 CO 0.58 -0.95 0.00 1.63 0.00 0.00 0.00 175.76 177.01 1n8j n LYS 168 N 1.10 -0.83 -1.81 0.00 5.02 -1.26 -4.98 118.16 115.40 1n8j n LYS 168 Ca 0.03 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.49 1n8j n LYS 168 Cb 0.39 -4.43 -0.00 0.00 -0.02 0.00 0.00 35.03 30.97 1n8j n LYS 168 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1n8j s TRP 169 N -1.99 2.64 0.05 2.13 -0.00 -1.05 -5.02 118.94 115.70 1n8j s TRP 169 Ca 0.00 1.10 0.02 0.00 -0.00 0.00 0.00 56.10 57.23 1n8j s TRP 169 Cb 0.00 -4.02 -0.03 0.00 -0.00 0.00 0.00 33.47 29.42 1n8j s TRP 169 CO 0.00 -3.06 -0.08 0.15 -0.00 0.00 0.00 176.95 173.96 1n8j s LYS 170 N -1.77 0.59 -0.11 5.86 1.02 -1.26 -4.90 119.74 119.16 1n8j s LYS 170 Ca 0.55 -0.86 -0.38 0.00 0.02 0.00 0.00 55.97 55.29 1n8j s LYS 170 Cb -0.46 -0.29 -0.16 0.00 -0.52 0.00 0.00 37.83 36.40 1n8j s LYS 170 CO 0.60 0.04 1.59 0.39 -0.92 0.00 0.00 175.35 177.05 1n8j n GLU 171 N 1.20 1.24 0.00 1.68 1.02 -1.26 -0.71 120.64 123.82 1n8j n GLU 171 Ca -0.21 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1n8j n GLU 171 Cb 0.56 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 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 3.51 0.42 3.92 0.62 0.00 -1.26 -5.08 105.19 107.33 1n8j n GLY 172 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.89 3.51 0.21 1.61 2.02 0.12 -5.03 118.70 120.25 1n8j s GLU 173 Ca 0.00 -0.06 -0.31 0.00 0.02 0.00 0.00 54.97 54.62 1n8j s GLU 173 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 34.13 31.61 1n8j s GLU 173 CO 0.00 -0.03 1.55 0.00 0.02 0.00 0.00 175.26 176.80 1n8j s ALA 174 N -2.53 3.75 0.35 5.21 0.00 -1.26 -4.88 121.76 122.40 1n8j s ALA 174 Ca 0.44 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.88 1n8j s ALA 174 Cb -0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1n8j s ALA 174 CO 0.40 -0.81 0.23 0.95 0.00 0.00 0.00 175.76 176.53 1n8j s THR 175 N 0.69 3.10 0.11 0.00 -4.23 -1.26 -4.68 115.64 109.37 1n8j s THR 175 Ca 0.67 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1n8j s THR 175 Cb -0.44 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1n8j s THR 175 CO 0.37 -0.14 0.26 -0.76 -0.54 0.00 0.00 174.62 173.81 1n8j s LEU 176 N -3.94 4.34 -0.44 4.79 1.43 -0.24 -4.95 118.68 119.68 1n8j s LEU 176 Ca 0.40 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1n8j s LEU 176 Cb -0.03 -2.97 0.13 0.00 0.03 0.00 0.00 46.19 43.35 1n8j s LEU 176 CO 0.25 0.09 0.22 0.00 0.23 0.00 0.00 176.35 177.14 1n8j s ALA 177 N -1.65 2.40 -0.51 4.21 0.00 -1.26 -1.26 121.76 123.69 1n8j s ALA 177 Ca 0.35 -2.66 -0.37 0.00 0.00 0.00 0.00 51.96 49.29 1n8j s ALA 177 Cb -0.12 -1.93 -0.15 0.00 0.00 0.00 0.00 23.12 20.92 1n8j s ALA 177 CO 0.28 -1.99 2.27 -2.30 0.00 0.00 0.00 175.76 174.02 1n8j n PRO 178 N 3.62 0.54 -4.45 0.00 -0.02 -1.25 -4.95 135.00 128.49 1n8j n PRO 178 Ca 0.06 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.45 1n8j n PRO 178 Cb 0.35 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.67 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 7.49 2.88 0.20 2.55 1.04 -1.26 -5.04 113.70 121.56 1n8j s SER 179 Ca 1.16 -1.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 1n8j s SER 179 Cb -1.09 -0.19 0.14 0.00 0.10 0.00 0.00 66.02 64.98 1n8j s SER 179 CO 0.53 -0.34 1.62 0.25 0.98 0.00 0.00 173.24 176.28 1n8j h LEU 180 N 2.23 0.86 -1.13 2.42 6.46 -1.99 -3.06 115.31 121.10 1n8j h LEU 180 Ca -0.40 -0.31 -0.09 0.00 -0.12 0.00 0.00 57.88 56.96 1n8j h LEU 180 Cb 1.24 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1n8j h LEU 180 CO 0.68 1.04 -0.42 -0.78 -0.62 0.00 0.00 178.44 178.34 1n8j h ASP 181 N 0.74 0.02 0.61 1.25 1.82 -1.98 -2.86 116.42 116.03 1n8j h ASP 181 Ca 0.11 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1n8j h ASP 181 Cb 0.73 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1n8j h ASP 181 CO 0.06 0.44 0.00 0.18 -1.61 0.00 0.00 179.24 178.31 1n8j n LEU 182 N -4.03 0.09 -4.65 2.28 4.77 -1.15 -4.62 117.00 109.69 1n8j n LEU 182 Ca -0.02 0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 1n8j n LEU 182 Cb 0.45 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1n8j n LEU 182 CO 0.40 -0.25 1.56 -0.69 -1.33 0.00 0.00 177.39 177.08 1n8j s VAL 183 N -3.04 3.19 0.00 4.08 1.01 -1.08 -2.23 120.40 122.33 1n8j s VAL 183 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1n8j s VAL 183 Cb 0.11 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1n8j s VAL 183 CO 0.32 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1n8j n GLY 184 N 4.61 2.70 0.11 4.51 0.00 -1.26 -4.87 105.19 110.99 1n8j n GLY 184 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 2.08 0.21 0.00 1.61 1.57 -1.70 -3.55 116.57 116.78 1n8j h LYS 185 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1n8j h LYS 185 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1n8j h LYS 185 CO 0.00 1.05 0.00 -0.89 -0.57 0.00 0.00 179.45 179.04