#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 1.21 -4.70 2.46 4.77 -1.26 -4.93 117.00 114.55 1n8j n LEU 2 Ca 0.00 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 1n8j n LEU 2 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1n8j n LEU 2 CO 0.00 0.22 0.90 0.00 -1.33 0.00 0.00 177.39 177.17 1n8j n ILE 3 N -0.36 2.33 -1.39 -0.08 0.13 -1.26 -1.85 119.36 116.88 1n8j n ILE 3 Ca 0.14 -0.50 -0.13 0.00 -1.10 0.00 0.00 62.75 61.16 1n8j n ILE 3 Cb 0.36 -1.58 -0.06 0.00 -0.84 0.00 0.00 39.64 37.52 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 0.42 -4.91 -4.69 9.51 4.05 0.08 -4.98 115.26 114.74 1n8j n ASN 4 Ca 0.06 0.33 -0.23 0.00 0.45 0.00 0.00 54.58 55.19 1n8j n ASN 4 Cb 0.38 -3.58 -0.07 0.00 1.23 0.00 0.00 39.78 37.74 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 -2.39 3.36 0.24 -0.44 -4.23 -0.77 -4.79 115.64 106.61 1n8j s THR 5 Ca 0.00 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 1n8j s THR 5 Cb 0.00 -2.94 -0.08 0.00 1.34 0.00 0.00 72.50 70.81 1n8j s THR 5 CO 0.00 -0.30 0.71 -0.75 -0.54 0.00 0.00 174.62 173.74 1n8j s LYS 6 N -3.75 4.15 0.52 3.99 2.20 -1.26 -0.38 119.74 125.21 1n8j s LYS 6 Ca 0.34 0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 56.53 1n8j s LYS 6 Cb -0.05 -2.75 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 1n8j s LYS 6 CO 0.21 0.33 1.05 0.96 -0.36 0.00 0.00 175.35 177.55 1n8j s ILE 7 N -1.65 3.74 0.28 5.43 -4.36 0.14 -4.93 121.20 119.84 1n8j s ILE 7 Ca 0.46 1.00 -0.10 0.00 -0.26 0.00 0.00 60.65 61.75 1n8j s ILE 7 Cb -0.15 -3.41 -0.07 0.00 1.25 0.00 0.00 42.46 40.08 1n8j s ILE 7 CO 0.20 -0.32 0.61 -0.54 0.24 0.00 0.00 174.94 175.13 1n8j s LYS 8 N -3.50 3.80 0.58 0.37 1.02 -1.26 -5.04 119.74 115.71 1n8j s LYS 8 Ca 0.67 0.31 -0.20 0.00 0.02 0.00 0.00 55.97 56.77 1n8j s LYS 8 Cb -0.17 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1n8j s LYS 8 CO 0.26 0.23 1.32 -0.35 -0.92 0.00 0.00 175.35 175.88 1n8j n PRO 9 N -0.46 1.46 -3.88 -1.68 -0.04 -1.26 -4.84 135.00 124.30 1n8j n PRO 9 Ca 0.01 0.55 -0.09 0.00 -0.04 0.00 0.00 63.50 63.92 1n8j n PRO 9 Cb 0.53 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 1n8j n PRO 9 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1n8j s PHE 10 N -1.33 0.14 -0.36 0.54 -0.12 -1.26 -4.94 117.98 110.64 1n8j s PHE 10 Ca 0.76 -0.50 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 1n8j s PHE 10 Cb -0.41 0.27 0.17 0.00 -0.63 0.00 0.00 43.02 42.43 1n8j s PHE 10 CO 0.46 -0.94 0.53 0.21 -0.05 0.00 0.00 175.22 175.43 1n8j s LYS 11 N -3.95 0.67 0.31 1.99 2.20 -1.25 -2.74 119.74 116.98 1n8j s LYS 11 Ca 0.15 -0.19 0.10 0.00 -0.36 0.00 0.00 55.97 55.67 1n8j s LYS 11 Cb -0.01 -0.13 -0.06 0.00 -1.51 0.00 0.00 37.83 36.13 1n8j s LYS 11 CO 0.03 -1.14 -0.11 -0.80 -0.36 0.00 0.00 175.35 172.96 1n8j s ASN 12 N 2.04 3.82 0.08 1.43 -0.87 0.15 -4.94 114.94 116.65 1n8j s ASN 12 Ca 0.14 -1.05 -0.13 0.00 -1.57 0.00 0.00 52.86 50.24 1n8j s ASN 12 Cb -0.09 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.25 40.68 1n8j s ASN 12 CO -0.13 -0.10 0.46 -1.10 -2.57 0.00 0.00 177.10 173.66 1n8j s GLN 13 N -3.59 3.91 0.00 -0.60 -1.52 -1.26 0.24 119.66 116.84 1n8j s GLN 13 Ca 0.32 0.38 -0.07 0.00 -1.95 0.00 0.00 55.36 54.05 1n8j s GLN 13 Cb -0.02 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.72 1n8j s GLN 13 CO 0.17 0.57 0.13 0.00 -0.25 0.00 0.00 175.29 175.91 1n8j s ALA 14 N -1.31 -0.29 -0.27 6.09 0.00 0.24 -1.05 121.76 125.17 1n8j s ALA 14 Ca 0.32 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 1n8j s ALA 14 Cb -0.15 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1n8j s ALA 14 CO 0.17 -0.20 0.15 0.12 0.00 0.00 0.00 175.76 176.00 1n8j s PHE 15 N -1.34 3.19 -0.20 0.00 5.36 0.38 -0.42 117.98 124.95 1n8j s PHE 15 Ca -0.14 -0.01 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1n8j s PHE 15 Cb -0.08 -2.32 0.06 0.00 -0.34 0.00 0.00 43.02 40.34 1n8j s PHE 15 CO 0.01 -0.18 0.04 0.21 -1.46 0.00 0.00 175.22 173.84 1n8j s LYS 16 N 1.61 0.67 -0.45 10.12 2.20 -0.48 -1.02 119.74 132.39 1n8j s LYS 16 Ca 0.07 -0.47 -0.34 0.00 -0.36 0.00 0.00 55.97 54.87 1n8j s LYS 16 Cb -0.15 -2.10 0.05 0.00 -1.51 0.00 0.00 37.83 34.11 1n8j s LYS 16 CO 0.08 -0.67 0.65 0.09 -0.36 0.00 0.00 175.35 175.15 1n8j n ASN 17 N 5.03 -6.06 0.00 1.43 3.02 -1.26 -2.97 115.26 114.46 1n8j n ASN 17 Ca -0.09 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1n8j n ASN 17 Cb 0.47 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 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 -0.22 0.46 3.15 7.41 0.00 -1.26 -4.97 105.19 109.76 1n8j n GLY 18 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.56 0.90 -0.20 1.61 -1.05 -1.16 -5.15 118.70 113.09 1n8j s GLU 19 Ca 0.00 -1.40 -0.09 0.00 -0.15 0.00 0.00 54.97 53.34 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 -0.25 0.10 -0.06 0.95 0.00 0.00 175.26 176.00 1n8j s PHE 20 N -4.03 3.29 0.17 4.83 0.08 -1.26 -1.38 117.98 119.68 1n8j s PHE 20 Ca 0.22 0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.42 1n8j s PHE 20 Cb 0.07 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1n8j s PHE 20 CO 0.00 0.13 -0.01 0.96 -0.10 0.00 0.00 175.22 176.20 1n8j s ILE 21 N 0.61 0.73 -0.14 0.64 -4.36 0.44 -4.98 121.20 114.14 1n8j s ILE 21 Ca 0.05 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 58.42 1n8j s ILE 21 Cb -0.12 -2.08 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 1n8j s ILE 21 CO 0.01 -0.51 -0.01 -0.70 0.24 0.00 0.00 174.94 173.96 1n8j s GLU 22 N -3.90 3.53 -0.13 0.37 2.12 -1.26 0.80 118.70 120.23 1n8j s GLU 22 Ca 0.23 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 1n8j s GLU 22 Cb 0.06 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1n8j s GLU 22 CO 0.03 0.37 -0.09 0.08 -0.54 0.00 0.00 175.26 175.11 1n8j s VAL 23 N 0.04 3.46 0.24 3.70 1.01 0.14 -4.95 120.40 124.04 1n8j s VAL 23 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1n8j s VAL 23 Cb -0.13 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1n8j s VAL 23 CO 0.02 0.52 0.00 0.42 0.00 0.00 0.00 175.10 176.06 1n8j s THR 24 N 0.21 1.05 0.60 3.92 -4.23 -1.26 -0.68 115.64 115.25 1n8j s THR 24 Ca -0.05 -2.03 0.30 0.00 -1.18 0.00 0.00 61.69 58.72 1n8j s THR 24 Cb -0.15 -2.38 0.36 0.00 1.34 0.00 0.00 72.50 71.68 1n8j s THR 24 CO 0.04 -0.30 2.13 1.05 -0.54 0.00 0.00 174.62 177.00 1n8j h GLU 25 N 2.45 0.00 0.00 3.99 9.09 -1.84 -0.61 114.58 127.65 1n8j h GLU 25 Ca -0.38 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.01 1n8j h GLU 25 Cb 1.22 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1n8j h GLU 25 CO 0.65 0.00 -0.08 0.87 0.05 0.00 0.00 179.01 180.50 1n8j h LYS 26 N 0.00 0.00 0.00 1.06 6.56 -1.95 -2.11 116.57 120.13 1n8j h LYS 26 Ca 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1n8j h LYS 26 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1n8j h LYS 26 CO -0.00 0.08 -0.03 -0.25 -2.06 0.00 0.00 179.45 177.18 1n8j n ASP 27 N -3.82 0.68 0.04 0.86 8.00 -0.24 -3.31 116.55 118.76 1n8j n ASP 27 Ca -0.02 0.54 0.11 0.00 0.71 0.00 0.00 54.79 56.12 1n8j n ASP 27 Cb 0.17 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.13 0.25 -1.68 -3.53 -2.24 -0.80 -4.85 114.28 99.30 1n8j n THR 28 Ca 0.06 -0.39 -0.44 0.00 -2.27 0.00 0.00 64.05 61.00 1n8j n THR 28 Cb 0.42 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1n8j n THR 28 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n8j n GLU 29 N -2.23 2.57 0.00 -0.78 1.02 -1.17 -1.86 120.64 118.19 1n8j n GLU 29 Ca -0.00 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 1n8j n GLU 29 Cb 0.50 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 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 4.20 1.60 3.34 0.62 0.00 -0.75 -5.03 105.19 109.17 1n8j n GLY 30 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.56 1.31 0.32 1.61 0.52 -0.77 -4.79 118.95 116.58 1n8j s ARG 31 Ca 0.00 -1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 53.44 1n8j s ARG 31 Cb 0.00 -1.22 -0.10 0.00 0.52 0.00 0.00 34.95 34.16 1n8j s ARG 31 CO 0.00 0.22 0.99 -1.58 0.02 0.00 0.00 175.30 174.95 1n8j s TRP 32 N -2.54 3.62 0.05 -0.53 0.52 -1.21 -3.50 118.94 115.35 1n8j s TRP 32 Ca 0.19 1.76 0.01 0.00 0.02 0.00 0.00 56.10 58.09 1n8j s TRP 32 Cb -0.03 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 1n8j s TRP 32 CO 0.07 -0.04 -0.06 -1.12 0.02 0.00 0.00 176.95 175.82 1n8j s SER 33 N -1.45 0.76 -0.13 2.95 0.01 0.93 -1.31 113.70 115.46 1n8j s SER 33 Ca 0.50 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 1n8j s SER 33 Cb -0.22 0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.14 1n8j s SER 33 CO 0.28 -0.35 -0.00 -0.69 0.41 0.00 0.00 173.24 172.88 1n8j s VAL 34 N -2.38 0.59 -0.34 3.43 1.01 -0.58 0.23 120.40 122.36 1n8j s VAL 34 Ca -0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1n8j s VAL 34 Cb -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1n8j s VAL 34 CO -0.03 0.11 0.41 -0.36 0.00 0.00 0.00 175.10 175.22 1n8j s PHE 35 N 1.86 3.20 -0.61 5.22 0.40 -0.29 -1.19 117.98 126.58 1n8j s PHE 35 Ca 0.03 0.03 -0.10 0.00 -0.60 0.00 0.00 56.93 56.29 1n8j s PHE 35 Cb -0.14 -2.74 0.16 0.00 0.51 0.00 0.00 43.02 40.80 1n8j s PHE 35 CO -0.07 -0.46 0.50 0.12 0.70 0.00 0.00 175.22 176.01 1n8j s PHE 36 N 2.12 3.50 0.13 0.36 5.36 0.95 -1.58 117.98 128.81 1n8j s PHE 36 Ca 0.14 -2.06 -0.26 0.00 -0.96 0.00 0.00 56.93 53.79 1n8j s PHE 36 Cb -0.16 -3.54 -0.07 0.00 -0.34 0.00 0.00 43.02 38.91 1n8j s PHE 36 CO 0.12 -0.96 0.79 -0.06 -1.46 0.00 0.00 175.22 173.65 1n8j s PHE 37 N 0.71 3.85 0.03 10.12 0.40 -0.41 -0.34 117.98 132.34 1n8j s PHE 37 Ca 0.11 1.60 -0.00 0.00 -0.60 0.00 0.00 56.93 58.05 1n8j s PHE 37 Cb -0.21 -2.81 -0.03 0.00 0.51 0.00 0.00 43.02 40.49 1n8j s PHE 37 CO -0.03 0.42 -0.03 1.52 0.70 0.00 0.00 175.22 177.79 1n8j s TYR 38 N -0.72 0.36 0.02 0.36 -0.85 -0.34 -2.87 117.35 113.31 1n8j s TYR 38 Ca 0.37 -0.68 -0.07 0.00 -0.52 0.00 0.00 57.07 56.17 1n8j s TYR 38 Cb -0.22 -0.26 -0.03 0.00 0.38 0.00 0.00 41.96 41.82 1n8j s TYR 38 CO 0.26 -0.24 1.11 -1.35 -1.52 0.00 0.00 175.55 173.81 1n8j h PRO 39 N 4.21 -0.17 -2.76 -3.49 0.11 -1.80 -3.40 132.00 124.71 1n8j h PRO 39 Ca -0.33 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 1n8j h PRO 39 Cb 1.19 0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.13 1n8j h PRO 39 CO 0.48 -0.11 -0.17 0.00 -0.21 0.00 0.00 178.00 177.99 1n8j s ALA 40 N -3.84 -1.04 0.88 -0.75 0.00 -1.26 -4.23 121.76 111.53 1n8j s ALA 40 Ca -0.03 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1n8j s ALA 40 Cb 0.01 -0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.11 1n8j s ALA 40 CO 0.12 -0.27 1.14 -0.51 0.00 0.00 0.00 175.76 176.24 1n8j s ASP 41 N -0.90 3.30 -1.83 0.00 1.11 -1.26 -3.21 116.67 113.88 1n8j s ASP 41 Ca -0.10 2.11 0.00 0.00 0.18 0.00 0.00 52.55 54.74 1n8j s ASP 41 Cb -0.04 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1n8j s ASP 41 CO 0.04 -2.85 0.00 0.49 1.18 0.00 0.00 175.17 174.04 1n8j n PHE 42 N -4.04 -0.65 -1.63 4.23 3.01 -1.26 -4.98 117.46 112.13 1n8j n PHE 42 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1n8j n PHE 42 Cb 0.52 -3.57 0.00 0.00 -0.01 0.00 0.00 39.48 36.42 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 -3.22 0.00 -0.03 4.37 -2.24 -1.20 -5.12 114.28 106.85 1n8j n THR 43 Ca -0.22 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1n8j n THR 43 Cb 0.66 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.07 4.78 3.72 -1.26 -4.61 117.46 120.01 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 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 38.29 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 -0.39 1.30 -0.87 -4.37 2.07 -1.97 -3.31 116.25 108.70 1n8j h VAL 45 Ca 0.00 -1.11 0.23 0.00 0.82 0.00 0.00 66.70 66.64 1n8j h VAL 45 Cb 0.39 1.58 -0.14 0.00 -1.52 0.00 0.00 31.29 31.60 1n8j h VAL 45 CO 0.00 0.34 0.24 0.28 0.02 0.00 0.00 177.57 178.45 1n8j h SER 46 N 0.15 0.03 -0.65 0.57 0.02 -1.90 -1.13 113.55 110.63 1n8j h SER 46 Ca 0.05 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1n8j h SER 46 Cb 0.55 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1n8j h SER 46 CO 0.03 -0.13 0.13 -0.65 -1.14 0.00 0.00 176.83 175.06 1n8j h PRO 47 N 0.23 1.06 -0.60 3.45 0.11 -1.82 0.26 132.00 134.69 1n8j h PRO 47 Ca 0.54 -0.27 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 1n8j h PRO 47 Cb 1.08 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1n8j h PRO 47 CO -0.63 0.97 0.18 1.79 -0.21 0.00 0.00 178.00 180.09 1n8j h THR 48 N 0.98 1.23 -0.09 -1.15 1.35 -1.36 0.12 112.91 113.99 1n8j h THR 48 Ca 0.20 -0.79 -0.06 0.00 -0.55 0.00 0.00 66.41 65.21 1n8j h THR 48 Cb 0.40 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1n8j h THR 48 CO 0.01 0.30 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.07 1n8j h GLU 49 N 0.87 0.29 -0.91 4.72 5.08 -0.96 -1.14 114.58 122.52 1n8j h GLU 49 Ca 0.20 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1n8j h GLU 49 Cb 0.26 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1n8j h GLU 49 CO -0.01 0.78 0.60 -0.07 -1.00 0.00 0.00 179.01 179.31 1n8j h LEU 50 N -0.16 1.00 -0.29 1.33 3.38 -0.23 -1.34 115.31 119.00 1n8j h LEU 50 Ca 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1n8j h LEU 50 Cb 0.77 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1n8j h LEU 50 CO 0.04 0.69 -0.37 1.23 0.09 0.00 0.00 178.44 180.12 1n8j h GLY 51 N 1.16 0.83 0.44 0.83 0.00 -0.74 -1.40 103.07 104.20 1n8j h GLY 51 Ca 0.36 -0.90 0.10 0.00 0.00 0.00 0.00 47.33 46.89 1n8j h GLY 51 CO -0.10 0.81 0.43 -1.80 0.00 0.00 0.00 176.54 175.87 1n8j h ASP 52 N 0.52 0.58 -0.34 0.19 -0.00 -0.63 0.19 116.42 116.92 1n8j h ASP 52 Ca 0.03 0.06 -0.04 0.00 -0.00 0.00 0.00 57.03 57.09 1n8j h ASP 52 Cb 0.96 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 40.24 1n8j h ASP 52 CO 0.09 0.31 0.06 0.58 -0.00 0.00 0.00 179.24 180.28 1n8j h VAL 53 N 0.70 1.23 -0.21 2.25 2.07 -1.10 -2.35 116.25 118.83 1n8j h VAL 53 Ca 0.40 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1n8j h VAL 53 Cb 0.43 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1n8j h VAL 53 CO -0.28 0.27 0.16 0.00 0.02 0.00 0.00 177.57 177.74 1n8j h ALA 54 N 0.90 2.17 0.00 1.67 0.00 0.01 -0.53 119.26 123.49 1n8j h ALA 54 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1n8j h ALA 54 Cb 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n8j h ALA 54 CO 0.00 -0.27 -0.29 -0.44 0.00 0.00 0.00 179.25 178.26 1n8j h ASP 55 N 0.00 0.00 -0.64 0.00 3.32 -0.47 -2.57 116.42 116.06 1n8j h ASP 55 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1n8j h ASP 55 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1n8j h ASP 55 CO -0.00 0.29 0.00 1.41 -1.72 0.00 0.00 179.24 179.22 1n8j n HIS 56 N -3.87 0.93 -0.20 4.55 8.25 -0.25 -4.55 115.22 120.09 1n8j n HIS 56 Ca -0.02 -0.52 -0.04 0.00 -0.26 0.00 0.00 57.72 56.89 1n8j n HIS 56 Cb 0.37 -0.04 0.14 0.00 1.12 0.00 0.00 29.99 31.59 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 3.78 1.01 0.44 4.41 3.20 -1.00 0.93 116.97 129.73 1n8j h TYR 57 Ca 0.00 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1n8j h TYR 57 Cb 1.00 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1n8j h TYR 57 CO 0.47 0.80 -0.29 0.93 -1.64 0.00 0.00 178.16 178.43 1n8j h GLU 58 N 0.95 -0.68 0.10 1.82 4.39 -1.80 -0.76 114.58 118.60 1n8j h GLU 58 Ca 0.21 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.98 1n8j h GLU 58 Cb 0.26 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1n8j h GLU 58 CO -0.01 -0.46 -0.34 1.49 -1.16 0.00 0.00 179.01 178.54 1n8j h GLU 59 N -0.71 -0.53 -0.59 2.33 4.81 -1.82 -1.88 114.58 116.19 1n8j h GLU 59 Ca -0.05 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1n8j h GLU 59 Cb 0.59 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 1n8j h GLU 59 CO 0.04 -0.35 0.11 -0.07 -0.73 0.00 0.00 179.01 178.00 1n8j h LEU 60 N -0.55 -0.03 -1.12 1.64 3.38 -0.72 0.13 115.31 118.04 1n8j h LEU 60 Ca 0.03 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1n8j h LEU 60 Cb 0.59 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1n8j h LEU 60 CO -0.21 -0.01 0.60 1.56 0.09 0.00 0.00 178.44 180.48 1n8j h GLN 61 N 0.24 1.03 -0.10 1.13 1.08 -0.72 0.19 115.11 117.96 1n8j h GLN 61 Ca 0.31 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1n8j h GLN 61 Cb 0.46 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1n8j h GLN 61 CO -0.41 0.68 -0.13 0.87 -0.95 0.00 0.00 178.83 178.89 1n8j h LYS 62 N 1.06 0.15 -0.16 1.46 1.57 -0.19 0.35 116.57 120.81 1n8j h LYS 62 Ca 0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1n8j h LYS 62 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1n8j h LYS 62 CO -0.15 0.28 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 1n8j n LEU 63 N -4.31 1.09 -3.46 2.94 4.77 0.01 -4.88 117.00 113.16 1n8j n LEU 63 Ca -0.01 -0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 55.24 1n8j n LEU 63 Cb 0.24 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1n8j n LEU 63 CO 0.37 0.25 0.22 0.61 -1.33 0.00 0.00 177.39 177.51 1n8j n GLY 64 N 0.92 -0.47 3.29 -0.72 0.00 0.12 -4.90 105.19 103.44 1n8j n GLY 64 Ca 0.11 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.31 3.60 0.23 1.61 1.01 0.47 -3.34 120.40 120.66 1n8j s VAL 65 Ca 0.48 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1n8j s VAL 65 Cb -0.21 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 1n8j s VAL 65 CO 0.70 0.07 0.73 -1.81 0.00 0.00 0.00 175.10 174.78 1n8j s ASP 66 N 1.43 7.04 -0.04 3.32 1.01 -0.43 -3.89 116.67 125.11 1n8j s ASP 66 Ca 0.01 1.41 0.05 0.00 0.71 0.00 0.00 52.55 54.73 1n8j s ASP 66 Cb -0.17 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1n8j s ASP 66 CO 0.00 0.02 -0.21 -0.69 0.21 0.00 0.00 175.17 174.51 1n8j s VAL 67 N -1.55 1.71 -0.11 -1.27 1.01 -1.26 -1.53 120.40 117.40 1n8j s VAL 67 Ca 0.44 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1n8j s VAL 67 Cb -0.16 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1n8j s VAL 67 CO 0.21 0.48 -0.09 -0.31 0.00 0.00 0.00 175.10 175.39 1n8j s TYR 68 N -0.14 1.55 0.22 5.22 1.51 -0.33 -3.56 117.35 121.82 1n8j s TYR 68 Ca -0.01 -0.76 -0.13 0.00 -1.01 0.00 0.00 57.07 55.15 1n8j s TYR 68 Cb -0.12 -1.25 -0.08 0.00 -0.11 0.00 0.00 41.96 40.41 1n8j s TYR 68 CO 0.02 -0.50 0.60 -1.54 -1.11 0.00 0.00 175.55 173.03 1n8j s SER 69 N 1.53 6.76 -0.02 2.29 1.04 -0.87 -0.04 113.70 124.40 1n8j s SER 69 Ca 0.02 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1n8j s SER 69 Cb -0.13 -2.29 0.02 0.00 0.10 0.00 0.00 66.02 63.72 1n8j s SER 69 CO -0.07 -0.03 0.01 -0.69 0.98 0.00 0.00 173.24 173.44 1n8j s VAL 70 N -1.70 0.04 0.18 5.02 1.01 0.54 -0.76 120.40 124.72 1n8j s VAL 70 Ca 0.45 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1n8j s VAL 70 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1n8j s VAL 70 CO 0.20 0.08 0.22 -0.94 0.00 0.00 0.00 175.10 174.66 1n8j s SER 71 N 0.70 0.11 0.00 3.32 1.04 -1.20 -1.19 113.70 116.48 1n8j s SER 71 Ca -0.06 -1.11 0.30 0.00 0.48 0.00 0.00 55.95 55.56 1n8j s SER 71 Cb -0.09 0.41 1.46 0.00 0.10 0.00 0.00 66.02 67.90 1n8j s SER 71 CO -0.02 -0.88 1.98 0.35 0.98 0.00 0.00 173.24 175.65 1n8j n THR 72 N -0.23 0.00 -1.45 2.02 -2.24 -1.26 -0.51 114.28 110.61 1n8j n THR 72 Ca -0.03 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 1n8j n THR 72 Cb 0.64 -0.10 0.14 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.15 3.42 0.69 3.42 1.01 -1.26 -2.98 116.67 118.82 1n8j s ASP 73 Ca 0.39 1.07 -0.04 0.00 0.71 0.00 0.00 52.55 54.68 1n8j s ASP 73 Cb 0.21 -1.68 0.08 0.00 1.01 0.00 0.00 42.92 42.54 1n8j s ASP 73 CO 0.39 -2.62 0.97 0.42 0.21 0.00 0.00 175.17 174.54 1n8j s THR 74 N -3.19 2.32 -0.35 -1.27 -4.23 -1.26 -2.25 115.64 105.42 1n8j s THR 74 Ca 0.64 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.97 1n8j s THR 74 Cb -0.16 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.10 1n8j s THR 74 CO 0.54 0.00 1.79 1.12 -0.54 0.00 0.00 174.62 177.53 1n8j h HIS 75 N -0.48 0.00 -0.07 3.99 2.07 -1.88 -2.56 115.15 116.22 1n8j h HIS 75 Ca -0.42 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.94 1n8j h HIS 75 Cb 1.29 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.28 1n8j h HIS 75 CO 0.08 0.00 -0.59 0.74 -3.07 0.00 0.00 177.93 175.09 1n8j h PHE 76 N 0.00 0.73 -0.58 6.12 -1.00 -1.97 -2.50 116.94 117.75 1n8j h PHE 76 Ca 0.00 -0.34 -0.01 0.00 2.81 0.00 0.00 57.97 60.42 1n8j h PHE 76 Cb 0.49 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 1n8j h PHE 76 CO 0.00 1.14 0.31 1.15 -1.61 0.00 0.00 178.31 179.30 1n8j h THR 77 N 0.11 1.19 -0.12 -1.55 2.02 -1.86 -2.14 112.91 110.57 1n8j h THR 77 Ca -0.05 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.64 1n8j h THR 77 Cb 1.25 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1n8j h THR 77 CO 0.12 0.21 0.01 0.45 0.37 0.00 0.00 175.52 176.68 1n8j h HIS 78 N 0.78 0.01 -0.68 3.16 3.86 -1.48 -0.92 115.15 119.89 1n8j h HIS 78 Ca 0.20 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1n8j h HIS 78 Cb 0.06 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1n8j h HIS 78 CO -0.01 -0.00 0.45 -0.22 0.86 0.00 0.00 177.93 179.01 1n8j h LYS 79 N 0.05 0.88 0.00 2.45 3.64 -1.22 0.87 116.57 123.24 1n8j h LYS 79 Ca 0.05 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1n8j h LYS 79 Cb 0.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1n8j h LYS 79 CO -0.08 0.58 -0.41 0.00 -2.27 0.00 0.00 179.45 177.27 1n8j h ALA 80 N 1.58 1.12 0.10 5.00 0.00 -0.87 -2.87 119.26 123.32 1n8j h ALA 80 Ca 0.25 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 1n8j h ALA 80 Cb -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1n8j h ALA 80 CO -0.06 0.51 -1.20 2.35 0.00 0.00 0.00 179.25 180.85 1n8j h TRP 81 N 0.00 0.38 0.00 0.00 7.01 0.15 -2.62 115.95 120.87 1n8j h TRP 81 Ca -0.00 -0.27 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1n8j h TRP 81 Cb 0.83 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1n8j h TRP 81 CO 0.00 1.22 0.00 1.58 -2.79 0.00 0.00 178.44 178.45 1n8j n HIS 82 N -3.48 0.77 -0.12 2.65 -0.00 0.17 -1.30 115.22 113.91 1n8j n HIS 82 Ca -0.07 0.34 -0.25 0.00 0.46 0.00 0.00 57.72 58.19 1n8j n HIS 82 Cb 1.01 -1.04 -0.10 0.00 -0.12 0.00 0.00 29.99 29.73 1n8j n HIS 82 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1n8j n SER 83 N -2.23 1.91 0.00 0.26 7.64 -1.14 -3.81 113.62 116.25 1n8j n SER 83 Ca 0.01 0.38 0.14 0.00 1.01 0.00 0.00 58.87 60.41 1n8j n SER 83 Cb 0.16 -0.88 0.62 0.00 -1.01 0.00 0.00 64.21 63.10 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 -4.34 0.00 -4.33 6.43 3.41 -1.00 -4.82 113.62 108.97 1n8j n SER 84 Ca -0.43 0.46 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 1n8j n SER 84 Cb 0.77 -0.49 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.97 3.40 0.02 4.04 0.15 -0.42 -5.03 113.70 112.89 1n8j s SER 85 Ca 0.15 -0.42 -0.22 0.00 0.70 0.00 0.00 55.95 56.16 1n8j s SER 85 Cb 0.19 -0.92 -0.17 0.00 -1.71 0.00 0.00 66.02 63.41 1n8j s SER 85 CO 0.52 0.26 1.29 -0.33 1.20 0.00 0.00 173.24 176.18 1n8j h GLU 86 N 5.96 0.28 -0.43 5.44 4.39 -1.87 -0.80 114.58 127.55 1n8j h GLU 86 Ca -0.35 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 1n8j h GLU 86 Cb 1.17 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1n8j h GLU 86 CO 0.49 0.72 -0.00 1.79 -1.16 0.00 0.00 179.01 180.85 1n8j h THR 87 N -0.15 1.26 -0.61 1.13 1.35 -1.96 -3.02 112.91 110.92 1n8j h THR 87 Ca 0.01 -1.03 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 1n8j h THR 87 Cb 0.69 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1n8j h THR 87 CO 0.03 0.35 0.03 0.40 -0.25 0.00 0.00 175.52 176.09 1n8j h ILE 88 N 0.60 1.26 -0.13 6.82 1.08 -1.86 -2.94 117.51 122.34 1n8j h ILE 88 Ca 0.12 -1.10 0.04 0.00 -0.39 0.00 0.00 64.86 63.53 1n8j h ILE 88 Cb 0.49 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1n8j h ILE 88 CO 0.02 0.40 0.14 0.00 -0.69 0.00 0.00 178.15 178.02 1n8j h ALA 89 N 1.06 1.78 -0.00 1.87 0.00 -1.01 -1.00 119.26 121.96 1n8j h ALA 89 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n8j h ALA 89 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n8j h ALA 89 CO 0.02 -0.20 -0.07 0.36 0.00 0.00 0.00 179.25 179.36 1n8j n LYS 90 N -3.91 0.55 -2.20 0.00 2.85 -1.11 -4.82 118.16 109.52 1n8j n LYS 90 Ca 0.00 -0.12 -0.43 0.00 -1.05 0.00 0.00 58.31 56.72 1n8j n LYS 90 Cb 0.25 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.11 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 -2.53 3.89 -2.29 0.58 1.01 -0.38 -4.88 121.20 116.60 1n8j s ILE 91 Ca 0.28 1.07 0.20 0.00 0.00 0.00 0.00 60.65 62.20 1n8j s ILE 91 Cb 0.20 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 39.05 1n8j s ILE 91 CO 0.47 -0.13 1.09 0.29 0.00 0.00 0.00 174.94 176.66 1n8j n LYS 92 N 6.99 1.71 -2.82 2.79 4.01 -1.26 -4.67 118.16 124.91 1n8j n LYS 92 Ca 0.16 -1.46 -0.21 0.00 -0.51 0.00 0.00 58.31 56.30 1n8j n LYS 92 Cb 0.44 -1.38 0.03 0.00 -0.51 0.00 0.00 35.03 33.60 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 1n8j s TYR 93 N -1.83 2.93 0.10 2.13 -0.85 -1.26 -4.63 117.35 113.94 1n8j s TYR 93 Ca 0.21 -0.05 -0.31 0.00 -0.52 0.00 0.00 57.07 56.40 1n8j s TYR 93 Cb 0.16 -2.56 -0.08 0.00 0.38 0.00 0.00 41.96 39.86 1n8j s TYR 93 CO 0.32 -0.65 1.40 0.00 -1.52 0.00 0.00 175.55 175.10 1n8j s ALA 94 N -2.62 3.59 -0.35 9.51 0.00 -1.23 -4.61 121.76 126.05 1n8j s ALA 94 Ca 0.55 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 53.52 1n8j s ALA 94 Cb -0.10 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1n8j s ALA 94 CO 0.37 -0.67 0.14 -1.64 0.00 0.00 0.00 175.76 173.95 1n8j s MET 95 N 1.34 2.67 0.00 0.00 1.00 -0.19 -2.04 119.30 122.09 1n8j s MET 95 Ca 0.65 -1.16 -0.22 0.00 0.00 0.00 0.00 55.69 54.96 1n8j s MET 95 Cb -0.36 -3.55 -0.05 0.00 0.00 0.00 0.00 34.83 30.87 1n8j s MET 95 CO 0.30 -0.68 0.65 0.42 0.00 0.00 0.00 175.02 175.70 1n8j s ILE 96 N 1.44 4.88 -0.14 2.53 1.01 0.06 -0.47 121.20 130.51 1n8j s ILE 96 Ca -0.01 1.37 -0.13 0.00 0.00 0.00 0.00 60.65 61.88 1n8j s ILE 96 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1n8j s ILE 96 CO 0.04 0.39 0.28 -0.83 0.00 0.00 0.00 174.94 174.81 1n8j s GLY 97 N -0.05 2.23 -0.45 6.18 0.00 -0.21 -3.21 107.32 111.81 1n8j s GLY 97 Ca 0.34 -0.46 0.09 0.00 0.00 0.00 0.00 44.72 44.68 1n8j s GLY 97 CO 0.19 0.26 0.95 1.34 0.00 0.00 0.00 173.10 175.84 1n8j n ASP 98 N 3.11 3.27 -0.19 1.64 2.03 0.33 -4.23 116.55 122.52 1n8j n ASP 98 Ca -0.14 -3.39 0.16 0.00 0.52 0.00 0.00 54.79 51.95 1n8j n ASP 98 Cb 0.52 -0.54 0.50 0.00 -0.72 0.00 0.00 41.12 40.89 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 2.87 0.41 0.00 -0.67 0.13 -1.67 0.75 132.00 133.82 1n8j h PRO 99 Ca 0.13 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1n8j h PRO 99 Cb 0.84 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1n8j h PRO 99 CO 0.71 0.27 -0.14 1.79 -0.23 0.00 0.00 178.00 180.40 1n8j h THR 100 N 0.42 0.27 0.00 1.56 1.35 -1.91 -3.47 112.91 111.13 1n8j h THR 100 Ca 0.40 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1n8j h THR 100 Cb 0.94 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1n8j h THR 100 CO -0.14 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1n8j n GLY 101 N 0.70 1.03 0.39 5.82 0.00 0.26 -4.93 105.19 108.45 1n8j n GLY 101 Ca 0.02 0.00 -0.14 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 -0.70 -0.64 4.61 0.00 -1.91 -1.53 119.26 119.09 1n8j h ALA 102 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1n8j h ALA 102 Cb 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1n8j h ALA 102 CO 0.00 -0.95 0.28 1.25 0.00 0.00 0.00 179.25 179.83 1n8j h LEU 103 N -0.65 0.33 -1.57 0.00 6.46 -1.91 0.87 115.31 118.83 1n8j h LEU 103 Ca 0.01 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1n8j h LEU 103 Cb 0.65 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 1n8j h LEU 103 CO -0.18 0.19 0.33 0.74 -0.62 0.00 0.00 178.44 178.89 1n8j h THR 104 N 0.49 1.06 0.10 1.05 2.02 -1.83 -2.48 112.91 113.32 1n8j h THR 104 Ca 0.32 -0.19 -0.28 0.00 0.77 0.00 0.00 66.41 67.03 1n8j h THR 104 Cb 0.36 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1n8j h THR 104 CO -0.28 0.10 -1.35 0.03 0.37 0.00 0.00 175.52 174.39 1n8j h ARG 105 N 0.57 0.20 -0.91 6.66 3.08 -0.13 0.23 114.38 124.08 1n8j h ARG 105 Ca 0.19 -0.35 0.16 0.00 0.07 0.00 0.00 59.98 60.05 1n8j h ARG 105 Cb 0.08 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 1n8j h ARG 105 CO -0.05 1.10 0.59 -0.91 -1.07 0.00 0.00 179.97 179.63 1n8j h ASN 106 N 0.06 0.64 -0.39 7.04 4.21 -0.45 0.81 115.58 127.49 1n8j h ASN 106 Ca -0.17 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.39 1n8j h ASN 106 Cb 1.96 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 39.09 1n8j h ASN 106 CO 0.17 0.30 0.00 0.49 -1.29 0.00 0.00 177.43 177.10 1n8j n PHE 107 N -4.58 0.75 -4.10 1.19 3.72 -1.03 -4.83 117.46 108.58 1n8j n PHE 107 Ca 0.19 -0.32 -0.32 0.00 -0.05 0.00 0.00 57.45 56.95 1n8j n PHE 107 Cb 0.52 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.61 -2.28 -2.43 4.37 2.03 0.28 -4.89 116.55 114.24 1n8j n ASP 108 Ca 0.14 -0.99 -0.15 0.00 0.52 0.00 0.00 54.79 54.32 1n8j n ASP 108 Cb 0.49 -2.95 0.03 0.00 -0.72 0.00 0.00 41.12 37.97 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 -2.80 3.37 -4.70 1.67 4.05 0.81 -5.00 115.26 112.65 1n8j n ASN 109 Ca -0.08 -3.04 -0.35 0.00 0.45 0.00 0.00 54.58 51.56 1n8j n ASN 109 Cb 0.57 -0.43 -0.09 0.00 1.23 0.00 0.00 39.78 41.06 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -3.61 3.06 -0.90 1.20 1.75 -1.25 -2.32 119.30 117.23 1n8j s MET 110 Ca 0.40 -0.37 -0.14 0.00 -1.25 0.00 0.00 55.69 54.32 1n8j s MET 110 Cb 0.38 -2.85 0.21 0.00 2.84 0.00 0.00 34.83 35.41 1n8j s MET 110 CO -0.02 0.70 0.91 1.03 -0.65 0.00 0.00 175.02 177.00 1n8j s ARG 111 N -0.87 3.71 0.32 4.11 0.52 -0.27 -4.91 118.95 121.55 1n8j s ARG 111 Ca 0.13 -2.44 0.09 0.00 -0.52 0.00 0.00 55.73 53.00 1n8j s ARG 111 Cb -0.11 -4.57 0.95 0.00 0.52 0.00 0.00 34.95 31.74 1n8j s ARG 111 CO 0.02 -1.40 1.62 0.93 0.02 0.00 0.00 175.30 176.50 1n8j h GLU 112 N 7.80 0.16 0.00 3.54 4.39 -1.96 0.25 114.58 128.77 1n8j h GLU 112 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1n8j h GLU 112 Cb 1.01 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1n8j h GLU 112 CO 0.87 0.11 0.00 -0.40 -1.16 0.00 0.00 179.01 178.43 1n8j n ASP 113 N -5.23 0.70 -0.00 1.42 5.68 -1.26 -3.66 116.55 114.20 1n8j n ASP 113 Ca 0.28 0.69 0.01 0.00 -0.50 0.00 0.00 54.79 55.27 1n8j n ASP 113 Cb 0.90 -0.83 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1n8j n GLU 114 N -2.29 0.51 -1.09 0.11 1.02 0.75 -5.00 120.64 114.65 1n8j n GLU 114 Ca 0.02 -0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1n8j n GLU 114 Cb 0.21 -1.09 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 2.35 0.63 3.28 0.62 0.00 -0.36 -5.02 105.19 106.69 1n8j n GLY 115 Ca -0.01 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.73 2.15 0.64 0.99 1.43 -1.25 -4.75 118.68 117.16 1n8j s LEU 116 Ca 0.00 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1n8j s LEU 116 Cb 0.00 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1n8j s LEU 116 CO 0.00 0.21 1.07 0.00 0.23 0.00 0.00 176.35 177.86 1n8j s ALA 117 N -0.75 2.64 0.63 4.21 0.00 -1.26 -1.12 121.76 126.11 1n8j s ALA 117 Ca 0.09 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1n8j s ALA 117 Cb -0.09 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.83 1n8j s ALA 117 CO 0.01 -1.05 0.90 -0.51 0.00 0.00 0.00 175.76 175.12 1n8j s ASP 118 N -2.99 5.11 -0.96 0.00 1.11 -0.98 -3.34 116.67 114.62 1n8j s ASP 118 Ca 0.63 0.31 -0.24 0.00 0.18 0.00 0.00 52.55 53.43 1n8j s ASP 118 Cb -0.17 -1.11 0.03 0.00 1.07 0.00 0.00 42.92 42.75 1n8j s ASP 118 CO 0.43 -1.34 1.49 -0.13 1.18 0.00 0.00 175.17 176.80 1n8j s ARG 119 N -5.02 3.40 0.00 8.23 0.52 -1.26 -4.04 118.95 120.79 1n8j s ARG 119 Ca 0.58 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1n8j s ARG 119 Cb -0.11 -5.14 -0.01 0.00 0.52 0.00 0.00 34.95 30.22 1n8j s ARG 119 CO 0.42 -2.34 -0.02 0.00 0.02 0.00 0.00 175.30 173.38 1n8j s ALA 120 N 5.73 0.18 -0.02 2.13 0.00 -1.14 -1.36 121.76 127.29 1n8j s ALA 120 Ca 0.47 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1n8j s ALA 120 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1n8j s ALA 120 CO -0.05 0.01 -0.25 0.99 0.00 0.00 0.00 175.76 176.46 1n8j s THR 121 N -0.30 2.15 -0.08 0.00 2.01 0.87 -1.29 115.64 119.01 1n8j s THR 121 Ca -0.02 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1n8j s THR 121 Cb -0.02 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1n8j s THR 121 CO -0.00 0.56 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.04 1n8j s PHE 122 N -0.64 1.27 -0.28 4.92 0.40 -0.62 -1.54 117.98 121.50 1n8j s PHE 122 Ca 0.10 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 1n8j s PHE 122 Cb -0.10 -1.02 -0.05 0.00 0.51 0.00 0.00 43.02 42.37 1n8j s PHE 122 CO -0.01 -0.33 0.22 0.08 0.70 0.00 0.00 175.22 175.89 1n8j s VAL 123 N 1.10 5.29 -0.13 -0.44 1.01 -0.49 -1.14 120.40 125.60 1n8j s VAL 123 Ca -0.07 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1n8j s VAL 123 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1n8j s VAL 123 CO -0.01 0.24 -0.22 -0.69 0.00 0.00 0.00 175.10 174.42 1n8j s VAL 124 N 1.80 2.14 0.92 2.92 1.01 0.14 -0.02 120.40 129.31 1n8j s VAL 124 Ca 0.09 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1n8j s VAL 124 Cb -0.16 -1.85 0.16 0.00 0.00 0.00 0.00 36.38 34.53 1n8j s VAL 124 CO 0.11 0.55 1.22 1.51 0.00 0.00 0.00 175.10 178.49 1n8j s ASP 125 N 0.64 3.47 0.58 3.32 1.47 -0.40 -0.05 116.67 125.70 1n8j s ASP 125 Ca -0.11 0.60 0.30 0.00 1.18 0.00 0.00 52.55 54.52 1n8j s ASP 125 Cb -0.16 -0.90 1.41 0.00 -0.34 0.00 0.00 42.92 42.92 1n8j s ASP 125 CO 0.02 -2.54 1.79 -0.65 0.68 0.00 0.00 175.17 174.47 1n8j h PRO 126 N -1.50 0.00 -0.60 2.11 0.11 -1.86 0.17 132.00 130.43 1n8j h PRO 126 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.52 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.35 1n8j n GLN 127 N -3.76 2.85 -1.15 1.05 3.00 -1.26 -1.82 117.38 116.29 1n8j n GLN 127 Ca 0.15 -2.02 -0.05 0.00 -0.01 0.00 0.00 57.00 55.06 1n8j n GLN 127 Cb 0.94 -1.67 -0.02 0.00 0.00 0.00 0.00 30.24 29.49 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 0.96 0.74 3.74 1.08 0.00 0.59 -4.91 105.19 107.39 1n8j n GLY 128 Ca 0.18 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.04 5.19 -0.18 -0.61 -1.09 -1.25 -0.68 121.20 120.53 1n8j s ILE 129 Ca 0.00 0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 58.97 1n8j s ILE 129 Cb 0.00 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1n8j s ILE 129 CO 0.00 0.38 1.22 -0.63 -1.23 0.00 0.00 174.94 174.69 1n8j s ILE 130 N 0.31 4.35 -0.27 2.92 1.01 0.49 -1.27 121.20 128.73 1n8j s ILE 130 Ca 0.23 1.63 0.18 0.00 0.00 0.00 0.00 60.65 62.69 1n8j s ILE 130 Cb -0.15 -4.06 -0.25 0.00 0.01 0.00 0.00 42.46 38.01 1n8j s ILE 130 CO 0.09 -0.16 0.50 0.00 0.00 0.00 0.00 174.94 175.37 1n8j n GLN 131 N 6.58 0.78 -3.67 2.79 1.13 0.97 -0.74 117.38 125.23 1n8j n GLN 131 Ca 0.14 -0.11 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 1n8j n GLN 131 Cb 0.45 -1.39 -0.08 0.00 0.11 0.00 0.00 30.24 29.33 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 -3.04 -1.46 -0.01 -1.58 0.00 -1.21 -4.93 121.76 109.53 1n8j s ALA 132 Ca -0.02 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.54 1n8j s ALA 132 Cb 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1n8j s ALA 132 CO 0.73 -0.28 -0.05 0.42 0.00 0.00 0.00 175.76 176.58 1n8j s ILE 133 N 0.14 0.41 -0.03 0.00 1.01 -1.26 -1.39 121.20 120.08 1n8j s ILE 133 Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1n8j s ILE 133 Cb -0.04 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1n8j s ILE 133 CO 0.02 0.14 -0.03 -0.70 0.00 0.00 0.00 174.94 174.37 1n8j s GLU 134 N 0.15 0.53 -0.02 2.79 2.12 -0.59 -4.98 118.70 118.70 1n8j s GLU 134 Ca -0.01 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1n8j s GLU 134 Cb -0.05 -0.60 0.02 0.00 0.26 0.00 0.00 34.13 33.76 1n8j s GLU 134 CO -0.00 -0.07 0.01 0.08 -0.54 0.00 0.00 175.26 174.73 1n8j s VAL 135 N 0.76 0.10 0.15 3.70 1.01 -1.26 -0.09 120.40 124.77 1n8j s VAL 135 Ca -0.09 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1n8j s VAL 135 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1n8j s VAL 135 CO -0.01 0.11 -0.09 0.42 0.00 0.00 0.00 175.10 175.53 1n8j s THR 136 N 0.82 1.07 1.09 3.92 -4.23 -0.47 -5.01 115.64 112.83 1n8j s THR 136 Ca -0.08 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.25 1n8j s THR 136 Cb -0.11 -1.86 0.18 0.00 1.34 0.00 0.00 72.50 72.05 1n8j s THR 136 CO -0.02 -0.73 0.64 0.00 -0.54 0.00 0.00 174.62 173.97 1n8j n ALA 137 N -0.19 -2.96 -0.14 3.99 0.00 -1.26 -4.16 120.51 115.79 1n8j n ALA 137 Ca -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 53.44 52.26 1n8j n ALA 137 Cb 0.61 -1.85 0.03 0.00 0.00 0.00 0.00 19.45 18.23 1n8j n ALA 137 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n8j h GLU 138 N -2.23 -0.00 -0.62 0.00 4.57 -2.01 -2.72 114.58 111.56 1n8j h GLU 138 Ca -0.54 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1n8j h GLU 138 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1n8j h GLU 138 CO 0.42 -0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.66 1n8j n GLY 139 N -1.34 2.08 3.35 1.92 0.00 -1.26 -4.85 105.19 105.09 1n8j n GLY 139 Ca 0.03 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.81 3.89 0.34 -0.61 1.01 -1.03 -5.09 121.20 117.91 1n8j s ILE 140 Ca 0.38 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 1n8j s ILE 140 Cb 0.25 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 1n8j s ILE 140 CO 0.18 0.19 0.98 -0.83 0.00 0.00 0.00 174.94 175.45 1n8j s GLY 141 N 1.51 2.79 0.50 6.18 0.00 -1.26 -4.63 107.32 112.42 1n8j s GLY 141 Ca 0.04 0.59 -0.07 0.00 0.00 0.00 0.00 44.72 45.28 1n8j s GLY 141 CO 0.01 1.04 0.84 0.50 0.00 0.00 0.00 173.10 175.49 1n8j s ARG 142 N -2.16 3.58 -0.24 2.90 0.52 -1.26 -5.07 118.95 117.22 1n8j s ARG 142 Ca 0.52 0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 56.04 1n8j s ARG 142 Cb -0.20 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1n8j s ARG 142 CO 0.26 -0.27 -0.01 0.34 0.02 0.00 0.00 175.30 175.64 1n8j s ASP 143 N -4.02 4.53 0.51 0.23 -1.08 -1.26 -4.91 116.67 110.67 1n8j s ASP 143 Ca 0.49 -0.49 0.29 0.00 -0.52 0.00 0.00 52.55 52.32 1n8j s ASP 143 Cb -0.10 -1.77 1.29 0.00 -1.46 0.00 0.00 42.92 40.87 1n8j s ASP 143 CO 0.45 -0.07 1.98 0.00 0.52 0.00 0.00 175.17 178.05 1n8j h ALA 144 N 8.13 1.09 -0.33 3.66 0.00 -1.94 -2.85 119.26 127.02 1n8j h ALA 144 Ca -0.38 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1n8j h ALA 144 Cb 1.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1n8j h ALA 144 CO 0.60 0.16 -0.22 0.66 0.00 0.00 0.00 179.25 180.45 1n8j h SER 145 N 0.00 0.63 0.62 0.00 4.64 -1.95 -2.59 113.55 114.90 1n8j h SER 145 Ca -0.00 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.97 1n8j h SER 145 Cb 0.52 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1n8j h SER 145 CO 0.02 0.84 -0.64 -0.78 -0.87 0.00 0.00 176.83 175.40 1n8j h ASP 146 N 0.56 0.02 -0.47 4.97 3.58 -1.94 -2.78 116.42 120.35 1n8j h ASP 146 Ca 0.08 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1n8j h ASP 146 Cb 0.67 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1n8j h ASP 146 CO 0.05 0.65 0.20 0.25 -2.88 0.00 0.00 179.24 177.51 1n8j h LEU 147 N 0.01 0.64 -0.50 2.28 5.85 -1.44 -2.13 115.31 120.02 1n8j h LEU 147 Ca -0.01 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1n8j h LEU 147 Cb 1.13 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1n8j h LEU 147 CO 0.08 0.62 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.72 1n8j h LEU 148 N 0.61 0.87 -0.08 2.25 3.38 -1.41 0.52 115.31 121.45 1n8j h LEU 148 Ca 0.16 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1n8j h LEU 148 Cb 0.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1n8j h LEU 148 CO -0.02 0.97 -0.17 -0.09 0.09 0.00 0.00 178.44 179.22 1n8j h ARG 149 N 0.74 -0.22 -0.14 1.13 2.43 -1.34 0.17 114.38 117.15 1n8j h ARG 149 Ca 0.14 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1n8j h ARG 149 Cb 0.53 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1n8j h ARG 149 CO 0.03 -0.15 -0.09 0.87 -1.51 0.00 0.00 179.97 179.12 1n8j h LYS 150 N -0.23 -0.08 -0.41 0.20 6.56 -1.21 -1.39 116.57 120.01 1n8j h LYS 150 Ca 0.08 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.74 1n8j h LYS 150 Cb 0.35 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.97 1n8j h LYS 150 CO -0.22 -0.05 0.07 0.82 -2.06 0.00 0.00 179.45 178.00 1n8j h ILE 151 N -0.08 0.76 -0.40 1.86 2.04 -0.21 0.19 117.51 121.67 1n8j h ILE 151 Ca 0.08 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1n8j h ILE 151 Cb 0.21 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1n8j h ILE 151 CO -0.19 0.03 0.25 0.11 0.00 0.00 0.00 178.15 178.36 1n8j h LYS 152 N 0.19 0.50 -0.32 2.37 1.57 -0.31 -0.09 116.57 120.48 1n8j h LYS 152 Ca 0.20 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1n8j h LYS 152 Cb 0.26 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1n8j h LYS 152 CO -0.28 0.33 -0.04 0.00 -0.57 0.00 0.00 179.45 178.89 1n8j h ALA 153 N 1.16 1.34 -0.46 3.86 0.00 -0.78 0.14 119.26 124.52 1n8j h ALA 153 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1n8j h ALA 153 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1n8j h ALA 153 CO -0.05 0.45 0.03 0.00 0.00 0.00 0.00 179.25 179.69 1n8j h ALA 154 N 1.49 0.62 -0.29 0.00 0.00 -0.36 -1.89 119.26 118.82 1n8j h ALA 154 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1n8j h ALA 154 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1n8j h ALA 154 CO 0.02 0.38 -0.15 1.96 0.00 0.00 0.00 179.25 181.45 1n8j h GLN 155 N 0.65 0.51 0.64 0.00 4.20 -0.30 -2.66 115.11 118.14 1n8j h GLN 155 Ca 0.13 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1n8j h GLN 155 Cb 0.45 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1n8j h GLN 155 CO 0.02 0.65 -0.31 -0.92 -0.67 0.00 0.00 178.83 177.60 1n8j h TYR 156 N 0.47 -0.80 -0.17 2.96 3.20 -0.41 -2.59 116.97 119.63 1n8j h TYR 156 Ca 0.08 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1n8j h TYR 156 Cb 0.54 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1n8j h TYR 156 CO 0.02 -0.46 0.17 -0.39 -1.64 0.00 0.00 178.16 175.86 1n8j h VAL 157 N -1.13 0.55 -0.00 1.81 -1.51 -1.38 0.27 116.25 114.86 1n8j h VAL 157 Ca -0.09 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.23 1n8j h VAL 157 Cb 0.70 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 1n8j h VAL 157 CO 0.14 0.00 -0.72 0.00 -1.23 0.00 0.00 177.57 175.76 1n8j h ALA 158 N 1.82 0.79 0.00 5.19 0.00 -1.39 -3.20 119.26 122.47 1n8j h ALA 158 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1n8j h ALA 158 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n8j h ALA 158 CO -0.00 0.89 -0.98 0.00 0.00 0.00 0.00 179.25 179.16 1n8j n ALA 159 N -2.41 4.26 -3.07 0.00 0.00 -0.01 -4.55 120.51 114.72 1n8j n ALA 159 Ca -0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1n8j n ALA 159 Cb 0.70 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.60 2.36 -1.47 0.00 -0.00 0.76 -5.09 115.22 110.18 1n8j n HIS 160 Ca 0.04 -3.92 -0.42 0.00 -0.00 0.00 0.00 57.72 53.42 1n8j n HIS 160 Cb 0.36 -0.46 0.01 0.00 -0.00 0.00 0.00 29.99 29.90 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n8j n PRO 161 N 0.07 0.66 0.00 -0.41 -0.02 -1.23 -1.27 135.00 132.80 1n8j n PRO 161 Ca 0.28 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1n8j n PRO 161 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.71 1.93 3.56 -1.23 0.00 -1.26 -5.01 105.19 104.88 1n8j n GLY 162 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.41 2.31 0.02 1.61 2.02 -0.40 -3.55 118.70 120.29 1n8j s GLU 163 Ca 0.00 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1n8j s GLU 163 Cb 0.00 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1n8j s GLU 163 CO 0.00 0.56 -0.10 0.14 0.02 0.00 0.00 175.26 175.88 1n8j s VAL 164 N -1.06 0.77 -0.35 2.63 -7.23 -0.08 -4.74 120.40 110.34 1n8j s VAL 164 Ca 0.18 -0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 59.42 1n8j s VAL 164 Cb -0.11 -0.70 0.01 0.00 0.56 0.00 0.00 36.38 36.13 1n8j s VAL 164 CO 0.09 0.01 0.74 0.00 -0.31 0.00 0.00 175.10 175.62 1n8j s PRO 166 N 2.95 -1.71 0.40 0.00 0.02 -1.26 -4.87 135.00 130.53 1n8j s PRO 166 Ca 0.29 0.08 -0.26 0.00 0.02 0.00 0.00 61.00 61.13 1n8j s PRO 166 Cb -0.14 -1.53 -0.10 0.00 0.02 0.00 0.00 34.50 32.75 1n8j s PRO 166 CO 0.16 -4.07 1.31 0.00 -0.33 0.00 0.00 177.00 174.07 1n8j n ALA 167 N -5.04 1.45 -3.40 -1.55 0.00 -1.26 -2.71 120.51 108.00 1n8j n ALA 167 Ca 0.12 0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.61 1n8j n ALA 167 Cb 0.59 -2.29 0.06 0.00 0.00 0.00 0.00 19.45 17.81 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 0.18 -6.57 -2.57 0.00 5.02 -1.26 -4.94 118.16 108.02 1n8j n LYS 168 Ca 0.06 0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 56.76 1n8j n LYS 168 Cb 0.39 -5.81 -0.03 0.00 -0.02 0.00 0.00 35.03 29.56 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 -3.26 3.56 0.10 2.13 -0.00 -1.10 -5.04 118.94 115.33 1n8j s TRP 169 Ca 0.48 1.51 0.09 0.00 -0.00 0.00 0.00 56.10 58.19 1n8j s TRP 169 Cb -0.22 -3.26 -0.04 0.00 -0.00 0.00 0.00 33.47 29.95 1n8j s TRP 169 CO 0.60 -0.61 -0.21 0.15 -0.00 0.00 0.00 176.95 176.88 1n8j s LYS 170 N 1.00 1.75 0.28 5.86 1.02 -1.26 -4.90 119.74 123.48 1n8j s LYS 170 Ca 0.55 -1.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1n8j s LYS 170 Cb -0.25 -2.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.88 1n8j s LYS 170 CO 0.29 0.49 1.58 0.39 -0.92 0.00 0.00 175.35 177.18 1n8j n GLU 171 N 1.05 2.62 0.00 1.68 1.02 -1.26 -1.87 120.64 123.87 1n8j n GLU 171 Ca -0.16 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1n8j n GLU 171 Cb 0.53 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 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 2.35 1.03 3.97 0.62 0.00 -1.26 -5.07 105.19 106.82 1n8j n GLY 172 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.99 2.31 0.25 1.61 2.02 -0.78 -5.05 118.70 118.08 1n8j s GLU 173 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1n8j s GLU 173 Cb 0.00 -2.42 -0.10 0.00 0.10 0.00 0.00 34.13 31.71 1n8j s GLU 173 CO 0.00 -0.93 1.39 0.00 0.02 0.00 0.00 175.26 175.74 1n8j s ALA 174 N -2.90 3.58 0.42 5.21 0.00 -1.26 -4.96 121.76 121.85 1n8j s ALA 174 Ca 0.60 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.90 1n8j s ALA 174 Cb -0.09 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1n8j s ALA 174 CO 0.40 -0.68 0.20 0.95 0.00 0.00 0.00 175.76 176.63 1n8j s THR 175 N -0.17 2.29 0.09 0.00 -4.23 -1.26 -4.69 115.64 107.67 1n8j s THR 175 Ca 0.57 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1n8j s THR 175 Cb -0.40 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1n8j s THR 175 CO 0.44 0.00 0.00 -0.76 -0.54 0.00 0.00 174.62 173.76 1n8j s LEU 176 N -3.93 3.48 -0.43 4.79 1.43 -0.44 -4.96 118.68 118.62 1n8j s LEU 176 Ca 0.41 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1n8j s LEU 176 Cb 0.03 -2.20 0.12 0.00 0.03 0.00 0.00 46.19 44.17 1n8j s LEU 176 CO 0.23 0.18 0.18 0.00 0.23 0.00 0.00 176.35 177.16 1n8j s ALA 177 N -1.31 2.68 0.22 4.21 0.00 -1.26 -0.90 121.76 125.40 1n8j s ALA 177 Ca 0.26 -2.71 -0.31 0.00 0.00 0.00 0.00 51.96 49.20 1n8j s ALA 177 Cb -0.12 -1.97 -0.15 0.00 0.00 0.00 0.00 23.12 20.88 1n8j s ALA 177 CO 0.18 -1.90 1.12 -2.30 0.00 0.00 0.00 175.76 172.87 1n8j n PRO 178 N 3.74 1.30 -3.83 0.00 -0.02 -1.23 -4.93 135.00 130.02 1n8j n PRO 178 Ca 0.05 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.93 1n8j n PRO 178 Cb 0.36 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N -0.18 -0.17 0.17 2.55 1.04 -1.26 -5.03 113.70 110.81 1n8j s SER 179 Ca 0.67 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 1n8j s SER 179 Cb -0.78 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.05 1n8j s SER 179 CO 0.55 -1.27 1.45 0.25 0.98 0.00 0.00 173.24 175.19 1n8j h LEU 180 N 2.00 0.70 -1.12 2.42 6.46 -1.98 -3.16 115.31 120.63 1n8j h LEU 180 Ca -0.23 -0.40 -0.04 0.00 -0.12 0.00 0.00 57.88 57.08 1n8j h LEU 180 Cb 1.24 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1n8j h LEU 180 CO 0.28 1.15 0.16 -0.78 -0.62 0.00 0.00 178.44 178.63 1n8j h ASP 181 N 0.46 0.72 1.49 1.25 1.82 -1.98 -2.72 116.42 117.45 1n8j h ASP 181 Ca -0.01 -0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1n8j h ASP 181 Cb 1.18 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 1n8j h ASP 181 CO 0.12 0.68 -0.00 -0.07 -1.61 0.00 0.00 179.24 178.36 1n8j h LEU 182 N 0.76 0.00 -9.31 2.28 3.38 -1.91 -3.43 115.31 107.08 1n8j h LEU 182 Ca 0.17 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.52 1n8j h LEU 182 Cb 0.23 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.01 1n8j h LEU 182 CO -0.01 0.00 0.98 0.52 0.09 0.00 0.00 178.44 180.03 1n8j n VAL 183 N -3.10 0.40 -0.28 1.22 0.31 -1.03 -0.94 118.33 114.91 1n8j n VAL 183 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1n8j n VAL 183 Cb 0.41 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1n8j n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n8j n GLY 184 N 4.09 2.32 0.11 2.92 0.00 -1.26 -4.87 105.19 108.49 1n8j n GLY 184 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 2.38 0.21 0.00 1.61 1.57 -1.32 -3.55 116.57 117.47 1n8j h LYS 185 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1n8j h LYS 185 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1n8j h LYS 185 CO 0.00 1.05 0.00 -0.89 -0.57 0.00 0.00 179.45 179.04