#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 1.99 -4.72 2.46 4.77 -1.26 -4.92 117.00 115.32 1n8j n LEU 2 Ca 0.00 -0.73 -0.43 0.00 -0.03 0.00 0.00 56.01 54.83 1n8j n LEU 2 Cb 0.00 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1n8j n LEU 2 CO 0.00 0.36 1.09 0.00 -1.33 0.00 0.00 177.39 177.51 1n8j n ILE 3 N 0.54 1.30 -1.82 -0.08 0.13 -1.26 -1.81 119.36 116.36 1n8j n ILE 3 Ca 0.17 -0.32 -0.17 0.00 -1.10 0.00 0.00 62.75 61.33 1n8j n ILE 3 Cb 0.42 -1.73 -0.05 0.00 -0.84 0.00 0.00 39.64 37.44 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 1.70 -4.96 -4.69 9.51 4.05 0.05 -4.98 115.26 115.94 1n8j n ASN 4 Ca 0.08 0.24 -0.24 0.00 0.45 0.00 0.00 54.58 55.10 1n8j n ASN 4 Cb 0.35 -3.97 -0.08 0.00 1.23 0.00 0.00 39.78 37.31 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 -2.70 2.55 -0.05 -0.44 -4.23 -0.75 -4.84 115.64 105.17 1n8j s THR 5 Ca 0.00 -1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1n8j s THR 5 Cb 0.00 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 1n8j s THR 5 CO 0.00 -0.11 0.39 -0.75 -0.54 0.00 0.00 174.62 173.62 1n8j s LYS 6 N -3.82 4.04 0.54 3.99 2.20 -1.26 -1.50 119.74 123.93 1n8j s LYS 6 Ca 0.38 0.35 -0.21 0.00 -0.36 0.00 0.00 55.97 56.13 1n8j s LYS 6 Cb 0.02 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 1n8j s LYS 6 CO 0.21 0.51 1.23 0.96 -0.36 0.00 0.00 175.35 177.91 1n8j s ILE 7 N -0.48 2.64 0.58 5.43 -4.36 -0.39 -5.00 121.20 119.61 1n8j s ILE 7 Ca 0.23 0.44 -0.10 0.00 -0.26 0.00 0.00 60.65 60.96 1n8j s ILE 7 Cb -0.16 -3.20 -0.04 0.00 1.25 0.00 0.00 42.46 40.31 1n8j s ILE 7 CO 0.11 -0.04 0.97 -0.54 0.24 0.00 0.00 174.94 175.67 1n8j s LYS 8 N -3.03 3.59 0.53 0.37 1.02 -1.26 -5.03 119.74 115.93 1n8j s LYS 8 Ca 0.72 0.61 -0.20 0.00 0.02 0.00 0.00 55.97 57.12 1n8j s LYS 8 Cb -0.32 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1n8j s LYS 8 CO 0.37 -0.47 1.17 -1.25 -0.92 0.00 0.00 175.35 174.25 1n8j s PRO 9 N -5.04 3.37 0.11 -1.68 0.04 -1.26 -4.83 135.00 125.72 1n8j s PRO 9 Ca 0.53 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1n8j s PRO 9 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1n8j s PRO 9 CO 0.51 -0.86 0.38 -0.59 0.04 0.00 0.00 177.00 176.48 1n8j s PHE 10 N -1.64 -0.17 -0.20 0.56 -0.12 -1.26 -4.96 117.98 110.18 1n8j s PHE 10 Ca 0.71 -0.12 -0.04 0.00 -0.05 0.00 0.00 56.93 57.43 1n8j s PHE 10 Cb -0.27 0.22 0.08 0.00 -0.63 0.00 0.00 43.02 42.42 1n8j s PHE 10 CO 0.31 -0.67 0.17 0.21 -0.05 0.00 0.00 175.22 175.20 1n8j s LYS 11 N -3.64 0.15 0.07 1.99 2.20 -1.26 -2.94 119.74 116.32 1n8j s LYS 11 Ca 0.02 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1n8j s LYS 11 Cb 0.02 -1.39 -0.03 0.00 -1.51 0.00 0.00 37.83 34.91 1n8j s LYS 11 CO -0.11 -0.71 -0.09 -0.80 -0.36 0.00 0.00 175.35 173.28 1n8j s ASN 12 N 2.24 1.19 0.24 1.43 -0.87 -0.08 -4.99 114.94 114.11 1n8j s ASN 12 Ca 0.05 -0.73 -0.18 0.00 -1.57 0.00 0.00 52.86 50.44 1n8j s ASN 12 Cb -0.16 0.03 -0.08 0.00 -0.02 0.00 0.00 41.25 41.02 1n8j s ASN 12 CO -0.14 -0.26 0.70 -1.10 -2.57 0.00 0.00 177.10 173.74 1n8j s GLN 13 N -2.40 4.15 0.07 -0.60 -1.52 -1.26 -0.83 119.66 117.25 1n8j s GLN 13 Ca -0.00 0.76 -0.07 0.00 -1.95 0.00 0.00 55.36 54.11 1n8j s GLN 13 Cb -0.05 -2.76 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 1n8j s GLN 13 CO -0.00 0.34 0.13 0.00 -0.25 0.00 0.00 175.29 175.50 1n8j s ALA 14 N -1.64 -0.06 -0.14 6.09 0.00 0.01 -1.09 121.76 124.93 1n8j s ALA 14 Ca 0.45 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1n8j s ALA 14 Cb -0.15 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1n8j s ALA 14 CO 0.20 -0.43 -0.04 0.12 0.00 0.00 0.00 175.76 175.61 1n8j s PHE 15 N -3.50 3.02 -0.23 0.00 5.36 -0.24 -1.00 117.98 121.40 1n8j s PHE 15 Ca 0.02 -0.23 -0.04 0.00 -0.96 0.00 0.00 56.93 55.72 1n8j s PHE 15 Cb 0.04 -1.91 0.12 0.00 -0.34 0.00 0.00 43.02 40.92 1n8j s PHE 15 CO -0.09 0.04 0.40 0.21 -1.46 0.00 0.00 175.22 174.33 1n8j s LYS 16 N 0.13 0.34 -0.56 10.12 2.20 -0.46 -0.60 119.74 130.91 1n8j s LYS 16 Ca -0.01 0.73 -0.22 0.00 -0.36 0.00 0.00 55.97 56.11 1n8j s LYS 16 Cb -0.14 -0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.07 1n8j s LYS 16 CO 0.03 -0.50 0.64 0.09 -0.36 0.00 0.00 175.35 175.25 1n8j n ASN 17 N 5.38 -6.14 0.00 1.43 3.02 -1.26 -2.56 115.26 115.12 1n8j n ASN 17 Ca -0.05 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1n8j n ASN 17 Cb 0.50 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 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 -0.68 0.04 3.10 7.41 0.00 -1.26 -4.95 105.19 108.85 1n8j n GLY 18 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.19 0.63 -0.25 1.61 -1.05 -1.06 -5.13 118.70 112.26 1n8j s GLU 19 Ca 0.00 -1.21 -0.13 0.00 -0.15 0.00 0.00 54.97 53.48 1n8j s GLU 19 Cb 0.00 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1n8j s GLU 19 CO 0.00 -0.09 0.28 -0.06 0.95 0.00 0.00 175.26 176.34 1n8j s PHE 20 N -3.74 3.28 0.39 4.83 0.08 -1.26 -1.36 117.98 120.20 1n8j s PHE 20 Ca 0.07 0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.51 1n8j s PHE 20 Cb 0.07 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 40.01 1n8j s PHE 20 CO -0.09 -0.09 0.03 0.96 -0.10 0.00 0.00 175.22 175.93 1n8j s ILE 21 N 1.59 1.54 -0.10 0.64 -4.36 -0.17 -4.96 121.20 115.38 1n8j s ILE 21 Ca 0.12 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 1n8j s ILE 21 Cb -0.15 -2.80 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 1n8j s ILE 21 CO 0.08 0.00 -0.12 -0.70 0.24 0.00 0.00 174.94 174.44 1n8j s GLU 22 N -3.79 3.09 -0.05 0.37 2.12 -1.26 -0.81 118.70 118.36 1n8j s GLU 22 Ca 0.32 -0.67 0.05 0.00 0.36 0.00 0.00 54.97 55.04 1n8j s GLU 22 Cb 0.08 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.89 1n8j s GLU 22 CO 0.15 0.37 -0.21 0.08 -0.54 0.00 0.00 175.26 175.11 1n8j s VAL 23 N -0.07 1.77 0.37 3.70 1.01 -0.01 -4.98 120.40 122.19 1n8j s VAL 23 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1n8j s VAL 23 Cb -0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1n8j s VAL 23 CO 0.04 0.50 0.17 0.42 0.00 0.00 0.00 175.10 176.22 1n8j s THR 24 N -0.08 0.41 0.51 3.92 -4.23 -1.26 -0.90 115.64 114.00 1n8j s THR 24 Ca -0.03 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.70 1n8j s THR 24 Cb -0.13 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.58 1n8j s THR 24 CO 0.03 0.00 2.14 1.05 -0.54 0.00 0.00 174.62 177.30 1n8j h GLU 25 N 1.96 0.00 -0.10 3.99 9.09 -1.85 -1.70 114.58 125.97 1n8j h GLU 25 Ca -0.33 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.11 1n8j h GLU 25 Cb 1.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1n8j h GLU 25 CO 0.51 0.06 0.09 0.87 0.05 0.00 0.00 179.01 180.59 1n8j h LYS 26 N 0.00 0.00 0.00 1.06 6.56 -1.95 0.85 116.57 123.09 1n8j h LYS 26 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1n8j h LYS 26 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1n8j h LYS 26 CO 0.01 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.15 1n8j n ASP 27 N -4.12 0.08 -0.08 0.86 8.00 -0.64 -3.31 116.55 117.33 1n8j n ASP 27 Ca -0.01 0.51 -0.10 0.00 0.71 0.00 0.00 54.79 55.91 1n8j n ASP 27 Cb 0.20 -0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.61 1n8j n ASP 27 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1n8j n THR 28 N -1.58 1.44 -1.63 -3.53 -2.24 0.28 -4.88 114.28 102.14 1n8j n THR 28 Ca 0.05 -0.84 -0.50 0.00 -2.27 0.00 0.00 64.05 60.50 1n8j n THR 28 Cb 0.27 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.84 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 -2.83 1.57 -0.06 -0.78 1.02 -1.12 -0.96 120.64 117.48 1n8j n GLU 29 Ca -0.30 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1n8j n GLU 29 Cb 1.13 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 3.01 1.41 3.37 0.62 0.00 -0.85 -5.03 105.19 107.73 1n8j n GLY 30 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.50 1.44 0.07 1.61 0.52 -0.13 -4.80 118.95 117.15 1n8j s ARG 31 Ca 0.00 -1.74 -0.22 0.00 -0.52 0.00 0.00 55.73 53.25 1n8j s ARG 31 Cb 0.00 -0.76 -0.06 0.00 0.52 0.00 0.00 34.95 34.65 1n8j s ARG 31 CO 0.00 -0.09 0.64 -1.58 0.02 0.00 0.00 175.30 174.29 1n8j s TRP 32 N -3.32 3.79 0.02 -0.53 0.52 -1.14 -2.52 118.94 115.75 1n8j s TRP 32 Ca 0.30 1.35 0.03 0.00 0.02 0.00 0.00 56.10 57.80 1n8j s TRP 32 Cb 0.06 -2.62 -0.01 0.00 -1.15 0.00 0.00 33.47 29.74 1n8j s TRP 32 CO 0.11 0.47 -0.09 -1.12 0.02 0.00 0.00 176.95 176.34 1n8j s SER 33 N -0.74 1.03 -0.22 2.95 0.01 0.59 -0.85 113.70 116.46 1n8j s SER 33 Ca 0.32 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.29 1n8j s SER 33 Cb -0.20 -0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.01 1n8j s SER 33 CO 0.20 -0.00 -0.14 -0.69 0.41 0.00 0.00 173.24 173.02 1n8j s VAL 34 N -0.64 2.06 -0.38 3.43 1.01 -0.20 0.06 120.40 125.74 1n8j s VAL 34 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1n8j s VAL 34 Cb -0.06 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1n8j s VAL 34 CO 0.00 0.20 0.39 -0.36 0.00 0.00 0.00 175.10 175.33 1n8j s PHE 35 N 1.21 3.19 -0.58 5.22 0.40 -0.19 -0.93 117.98 126.30 1n8j s PHE 35 Ca -0.03 -0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.02 1n8j s PHE 35 Cb -0.17 -2.76 0.15 0.00 0.51 0.00 0.00 43.02 40.75 1n8j s PHE 35 CO -0.08 -0.55 0.45 0.12 0.70 0.00 0.00 175.22 175.85 1n8j s PHE 36 N 2.05 3.49 0.32 0.36 5.36 0.23 -1.08 117.98 128.71 1n8j s PHE 36 Ca 0.12 -2.11 -0.19 0.00 -0.96 0.00 0.00 56.93 53.78 1n8j s PHE 36 Cb -0.17 -3.49 -0.09 0.00 -0.34 0.00 0.00 43.02 38.93 1n8j s PHE 36 CO 0.12 -0.96 0.82 -0.06 -1.46 0.00 0.00 175.22 173.68 1n8j s PHE 37 N 0.78 3.49 0.11 10.12 0.40 -0.21 -0.26 117.98 132.41 1n8j s PHE 37 Ca 0.11 1.45 -0.09 0.00 -0.60 0.00 0.00 56.93 57.79 1n8j s PHE 37 Cb -0.22 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.62 1n8j s PHE 37 CO -0.03 0.13 0.23 1.52 0.70 0.00 0.00 175.22 177.77 1n8j s TYR 38 N -1.84 0.17 -0.01 0.36 -0.85 0.10 -3.51 117.35 111.76 1n8j s TYR 38 Ca 0.52 -0.58 -0.25 0.00 -0.52 0.00 0.00 57.07 56.25 1n8j s TYR 38 Cb -0.13 -0.03 -0.18 0.00 0.38 0.00 0.00 41.96 42.00 1n8j s TYR 38 CO 0.18 -0.59 1.23 -1.35 -1.52 0.00 0.00 175.55 173.51 1n8j h PRO 39 N 2.68 -0.17 -2.03 -3.49 0.11 -1.80 -3.38 132.00 123.91 1n8j h PRO 39 Ca -0.34 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1n8j h PRO 39 Cb 1.21 0.04 -0.20 0.00 0.11 0.00 0.00 31.00 32.16 1n8j h PRO 39 CO 0.54 0.21 0.16 0.00 -0.21 0.00 0.00 178.00 178.70 1n8j s ALA 40 N -4.51 -1.75 0.77 -0.75 0.00 -1.26 -4.35 121.76 109.91 1n8j s ALA 40 Ca -0.15 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 1n8j s ALA 40 Cb 0.02 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.85 1n8j s ALA 40 CO 0.60 -0.36 1.11 -0.51 0.00 0.00 0.00 175.76 176.60 1n8j s ASP 41 N -0.72 4.34 -1.57 0.00 1.11 -1.26 -3.50 116.67 115.07 1n8j s ASP 41 Ca -0.08 1.94 0.00 0.00 0.18 0.00 0.00 52.55 54.60 1n8j s ASP 41 Cb -0.02 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.44 1n8j s ASP 41 CO 0.07 -2.15 0.00 0.49 1.18 0.00 0.00 175.17 174.76 1n8j n PHE 42 N -3.39 -0.32 -2.64 4.23 3.01 -1.26 -5.00 117.46 112.08 1n8j n PHE 42 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1n8j n PHE 42 Cb 0.52 -3.01 0.00 0.00 -0.01 0.00 0.00 39.48 36.98 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 -3.16 0.00 -0.08 4.37 -2.24 -1.23 -5.12 114.28 106.82 1n8j n THR 43 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1n8j n THR 43 Cb 0.58 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.34 0.00 -0.05 4.78 3.72 -1.26 -4.49 117.46 119.82 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 -0.49 -0.07 0.00 -0.94 0.00 0.00 39.48 37.98 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 -0.93 1.30 -0.50 -4.37 2.07 -1.97 -3.35 116.25 108.50 1n8j h VAL 45 Ca -0.04 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.55 1n8j h VAL 45 Cb 0.97 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 32.34 1n8j h VAL 45 CO -0.03 0.29 -0.45 0.28 0.02 0.00 0.00 177.57 177.68 1n8j h SER 46 N -0.06 -1.53 -0.98 0.57 0.02 -1.90 -1.70 113.55 107.96 1n8j h SER 46 Ca 0.03 0.24 0.13 0.00 -0.84 0.00 0.00 61.79 61.34 1n8j h SER 46 Cb 0.47 0.68 -0.09 0.00 0.14 0.00 0.00 62.40 63.60 1n8j h SER 46 CO 0.01 -0.36 0.60 1.55 -1.14 0.00 0.00 176.83 177.50 1n8j h PRO 47 N -0.28 0.91 -0.46 3.45 0.13 -1.79 0.34 132.00 134.29 1n8j h PRO 47 Ca 0.15 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1n8j h PRO 47 Cb 0.57 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1n8j h PRO 47 CO -0.64 0.60 0.08 1.79 -0.23 0.00 0.00 178.00 179.60 1n8j h THR 48 N 0.93 1.21 -0.09 1.56 1.35 -1.47 0.43 112.91 116.84 1n8j h THR 48 Ca 0.49 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.54 1n8j h THR 48 Cb 0.52 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1n8j h THR 48 CO -0.28 0.28 -0.06 -0.33 -0.25 0.00 0.00 175.52 174.88 1n8j h GLU 49 N 0.67 0.20 -0.74 4.72 5.08 -0.07 -0.93 114.58 123.51 1n8j h GLU 49 Ca 0.15 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1n8j h GLU 49 Cb 0.30 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1n8j h GLU 49 CO 0.00 0.59 0.39 -0.07 -1.00 0.00 0.00 179.01 178.92 1n8j h LEU 50 N -0.19 0.92 -0.53 1.33 3.38 -0.06 -1.40 115.31 118.75 1n8j h LEU 50 Ca 0.02 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1n8j h LEU 50 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1n8j h LEU 50 CO 0.02 0.75 -0.32 1.23 0.09 0.00 0.00 178.44 180.21 1n8j h GLY 51 N 1.08 0.93 0.99 0.83 0.00 -0.11 -1.02 103.07 105.76 1n8j h GLY 51 Ca 0.26 -0.88 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1n8j h GLY 51 CO -0.04 0.80 0.49 -1.80 0.00 0.00 0.00 176.54 175.99 1n8j h ASP 52 N 0.72 0.85 0.30 0.19 -0.00 -0.55 -0.80 116.42 117.13 1n8j h ASP 52 Ca 0.08 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.03 56.96 1n8j h ASP 52 Cb 0.87 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.98 1n8j h ASP 52 CO 0.08 0.61 -0.50 0.58 -0.00 0.00 0.00 179.24 180.02 1n8j h VAL 53 N 1.00 1.35 -0.72 2.25 2.07 -1.10 -2.80 116.25 118.30 1n8j h VAL 53 Ca 0.28 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 1n8j h VAL 53 Cb -0.10 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1n8j h VAL 53 CO -0.06 0.51 0.26 0.00 0.02 0.00 0.00 177.57 178.29 1n8j h ALA 54 N 1.31 1.10 0.00 1.67 0.00 -0.26 -1.57 119.26 121.51 1n8j h ALA 54 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1n8j h ALA 54 Cb 0.94 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1n8j h ALA 54 CO 0.08 0.63 -0.01 -0.44 0.00 0.00 0.00 179.25 179.51 1n8j h ASP 55 N 1.05 0.00 -0.09 0.00 3.32 -0.90 -2.07 116.42 117.72 1n8j h ASP 55 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1n8j h ASP 55 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1n8j h ASP 55 CO -0.01 0.01 0.00 1.41 -1.72 0.00 0.00 179.24 178.92 1n8j n HIS 56 N -3.31 0.10 -0.36 4.55 8.25 -0.64 -4.63 115.22 119.18 1n8j n HIS 56 Ca -0.03 -0.07 0.05 0.00 -0.26 0.00 0.00 57.72 57.42 1n8j n HIS 56 Cb 0.09 -0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.42 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 3.35 1.17 0.17 4.41 3.20 -0.84 0.73 116.97 129.16 1n8j h TYR 57 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1n8j h TYR 57 Cb 0.74 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1n8j h TYR 57 CO 0.05 0.52 -0.18 0.93 -1.64 0.00 0.00 178.16 177.85 1n8j h GLU 58 N 1.07 -0.37 -0.32 1.82 4.39 -1.82 0.29 114.58 119.65 1n8j h GLU 58 Ca 0.47 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.25 1n8j h GLU 58 Cb 0.35 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1n8j h GLU 58 CO -0.22 -0.25 0.01 1.49 -1.16 0.00 0.00 179.01 178.88 1n8j h GLU 59 N -0.38 0.10 -0.68 2.33 4.81 -1.67 -1.62 114.58 117.46 1n8j h GLU 59 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1n8j h GLU 59 Cb 0.36 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1n8j h GLU 59 CO -0.05 0.07 0.36 -0.07 -0.73 0.00 0.00 179.01 178.59 1n8j h LEU 60 N 0.10 0.85 -0.69 1.64 3.38 -0.45 -2.42 115.31 117.71 1n8j h LEU 60 Ca 0.15 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1n8j h LEU 60 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n8j h LEU 60 CO -0.25 0.69 -0.23 1.56 0.09 0.00 0.00 178.44 180.31 1n8j h GLN 61 N 0.95 0.77 0.00 1.13 1.08 0.20 0.51 115.11 119.76 1n8j h GLN 61 Ca 0.24 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1n8j h GLN 61 Cb 0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1n8j h GLN 61 CO -0.04 0.92 0.00 0.87 -0.95 0.00 0.00 178.83 179.64 1n8j h LYS 62 N 0.67 0.00 -0.02 1.46 1.57 -0.83 -1.04 116.57 118.38 1n8j h LYS 62 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n8j h LYS 62 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1n8j h LYS 62 CO 0.06 0.00 -0.06 1.28 -0.57 0.00 0.00 179.45 180.15 1n8j n LEU 63 N -2.87 2.31 -0.53 2.94 4.77 -0.89 -4.94 117.00 117.79 1n8j n LEU 63 Ca 0.00 -0.77 -0.03 0.00 -0.03 0.00 0.00 56.01 55.18 1n8j n LEU 63 Cb 0.23 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1n8j n LEU 63 CO 0.23 0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 177.28 1n8j n GLY 64 N 1.30 0.41 3.39 -0.72 0.00 -0.39 -4.94 105.19 104.24 1n8j n GLY 64 Ca 0.15 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.44 3.64 -0.09 1.61 1.01 0.12 -2.90 120.40 121.34 1n8j s VAL 65 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1n8j s VAL 65 Cb -0.01 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1n8j s VAL 65 CO 0.03 0.44 0.28 -1.81 0.00 0.00 0.00 175.10 174.04 1n8j s ASP 66 N 1.07 6.55 -0.13 3.32 1.01 -0.03 -4.09 116.67 124.37 1n8j s ASP 66 Ca 0.01 0.65 -0.04 0.00 0.71 0.00 0.00 52.55 53.88 1n8j s ASP 66 Cb -0.15 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1n8j s ASP 66 CO 0.01 0.28 0.02 -0.69 0.21 0.00 0.00 175.17 175.00 1n8j s VAL 67 N -0.58 4.45 -0.23 -1.27 1.01 -1.26 -1.03 120.40 121.48 1n8j s VAL 67 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1n8j s VAL 67 Cb -0.14 -2.93 0.07 0.00 0.00 0.00 0.00 36.38 33.38 1n8j s VAL 67 CO 0.07 0.55 -0.01 -0.31 0.00 0.00 0.00 175.10 175.40 1n8j s TYR 68 N -0.31 1.92 0.26 5.22 1.51 -0.11 -3.34 117.35 122.50 1n8j s TYR 68 Ca 0.07 -1.50 -0.20 0.00 -1.01 0.00 0.00 57.07 54.43 1n8j s TYR 68 Cb -0.12 -1.45 -0.09 0.00 -0.11 0.00 0.00 41.96 40.19 1n8j s TYR 68 CO 0.02 -0.74 0.77 -1.54 -1.11 0.00 0.00 175.55 172.96 1n8j s SER 69 N 1.55 7.08 -0.01 2.29 1.04 -0.69 -0.60 113.70 124.35 1n8j s SER 69 Ca -0.02 1.49 0.01 0.00 0.48 0.00 0.00 55.95 57.91 1n8j s SER 69 Cb -0.18 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.50 1n8j s SER 69 CO -0.09 -0.02 -0.02 -0.69 0.98 0.00 0.00 173.24 173.41 1n8j s VAL 70 N -1.61 0.20 0.15 5.02 1.01 0.65 -0.81 120.40 125.01 1n8j s VAL 70 Ca 0.46 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1n8j s VAL 70 Cb -0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1n8j s VAL 70 CO 0.21 0.10 0.26 -0.94 0.00 0.00 0.00 175.10 174.72 1n8j s SER 71 N 0.40 0.07 -0.00 3.32 1.04 -1.20 -0.72 113.70 116.60 1n8j s SER 71 Ca -0.04 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1n8j s SER 71 Cb -0.06 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.55 1n8j s SER 71 CO -0.01 -0.86 1.06 0.35 0.98 0.00 0.00 173.24 174.77 1n8j n THR 72 N -0.18 0.13 -1.82 2.02 -2.24 -1.26 -1.41 114.28 109.51 1n8j n THR 72 Ca -0.09 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1n8j n THR 72 Cb 0.63 0.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.00 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -0.99 4.54 0.70 3.42 1.01 -1.26 -3.50 116.67 120.60 1n8j s ASP 73 Ca 0.06 0.91 -0.07 0.00 0.71 0.00 0.00 52.55 54.16 1n8j s ASP 73 Cb 0.03 -1.48 0.06 0.00 1.01 0.00 0.00 42.92 42.54 1n8j s ASP 73 CO 0.04 -1.89 1.02 0.42 0.21 0.00 0.00 175.17 174.96 1n8j s THR 74 N -3.47 2.34 0.28 -1.27 -4.23 -1.26 -2.29 115.64 105.74 1n8j s THR 74 Ca 0.61 -0.24 0.14 0.00 -1.18 0.00 0.00 61.69 61.03 1n8j s THR 74 Cb -0.12 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1n8j s THR 74 CO 0.50 -0.03 1.74 1.12 -0.54 0.00 0.00 174.62 177.41 1n8j h HIS 75 N -0.60 0.00 -0.69 3.99 2.07 -1.88 -2.36 115.15 115.68 1n8j h HIS 75 Ca -0.44 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1n8j h HIS 75 Cb 1.31 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.26 1n8j h HIS 75 CO 0.34 0.45 0.42 0.74 -3.07 0.00 0.00 177.93 176.81 1n8j h PHE 76 N 0.00 0.91 -0.64 6.12 -1.00 -1.97 -0.70 116.94 119.66 1n8j h PHE 76 Ca -0.00 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1n8j h PHE 76 Cb 0.86 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 1n8j h PHE 76 CO 0.00 0.62 0.18 1.15 -1.61 0.00 0.00 178.31 178.65 1n8j h THR 77 N 0.94 1.25 -0.75 -1.55 2.02 -1.84 -2.12 112.91 110.86 1n8j h THR 77 Ca 0.25 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1n8j h THR 77 Cb -0.03 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1n8j h THR 77 CO -0.05 0.34 0.49 0.45 0.37 0.00 0.00 175.52 177.13 1n8j h HIS 78 N 0.94 0.95 -0.31 3.16 3.86 -0.89 -0.31 115.15 122.55 1n8j h HIS 78 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1n8j h HIS 78 Cb 0.32 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1n8j h HIS 78 CO 0.02 0.60 0.20 -0.22 0.86 0.00 0.00 177.93 179.39 1n8j h LYS 79 N 1.02 0.42 -0.87 2.45 3.64 -0.82 -0.62 116.57 121.79 1n8j h LYS 79 Ca 0.27 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1n8j h LYS 79 Cb -0.11 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1n8j h LYS 79 CO -0.06 0.30 0.47 0.00 -2.27 0.00 0.00 179.45 177.90 1n8j h ALA 80 N 1.09 1.11 -0.50 5.00 0.00 -0.77 -2.26 119.26 122.94 1n8j h ALA 80 Ca 0.11 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1n8j h ALA 80 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1n8j h ALA 80 CO -0.02 0.63 -0.07 2.35 0.00 0.00 0.00 179.25 182.13 1n8j h TRP 81 N 1.22 0.99 0.00 0.00 7.01 -0.85 -2.33 115.95 121.98 1n8j h TRP 81 Ca 0.31 -0.18 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1n8j h TRP 81 Cb 0.03 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1n8j h TRP 81 CO 0.01 0.93 -0.09 1.25 -2.79 0.00 0.00 178.44 177.75 1n8j h HIS 82 N 0.82 0.00 0.01 2.65 2.76 -0.55 -2.20 115.15 118.63 1n8j h HIS 82 Ca 0.14 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.03 1n8j h HIS 82 Cb 0.59 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.50 1n8j h HIS 82 CO 0.03 0.09 -1.56 0.77 -1.30 0.00 0.00 177.93 175.96 1n8j h SER 83 N 0.00 0.02 0.10 3.26 0.02 -0.99 -3.31 113.55 112.66 1n8j h SER 83 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1n8j h SER 83 Cb 0.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1n8j h SER 83 CO 0.01 1.03 -0.66 -1.54 -1.14 0.00 0.00 176.83 174.53 1n8j n SER 84 N -3.13 1.26 -4.10 3.07 3.41 -0.95 -4.90 113.62 108.28 1n8j n SER 84 Ca -0.13 -1.03 -0.31 0.00 -0.26 0.00 0.00 58.87 57.13 1n8j n SER 84 Cb 1.03 0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.77 2.83 0.22 4.04 0.15 -0.85 -5.01 113.70 112.31 1n8j s SER 85 Ca 0.14 -0.54 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 1n8j s SER 85 Cb 0.17 -1.29 0.30 0.00 -1.71 0.00 0.00 66.02 63.49 1n8j s SER 85 CO 0.70 0.02 1.80 -0.08 1.20 0.00 0.00 173.24 176.88 1n8j h GLU 86 N 7.59 0.65 -0.31 5.44 4.81 -1.90 0.15 114.58 131.02 1n8j h GLU 86 Ca -0.35 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 1n8j h GLU 86 Cb 1.17 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1n8j h GLU 86 CO 0.54 0.43 -0.06 1.79 -0.73 0.00 0.00 179.01 180.98 1n8j h THR 87 N 0.67 1.28 -0.07 0.32 1.35 -1.96 -2.83 112.91 111.66 1n8j h THR 87 Ca 0.33 -1.09 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 1n8j h THR 87 Cb 0.28 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1n8j h THR 87 CO -0.22 0.35 -0.25 0.40 -0.25 0.00 0.00 175.52 175.54 1n8j h ILE 88 N 0.37 1.22 -0.15 6.82 1.08 -1.74 -2.66 117.51 122.44 1n8j h ILE 88 Ca 0.08 -1.02 0.03 0.00 -0.39 0.00 0.00 64.86 63.56 1n8j h ILE 88 Cb 0.55 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 1n8j h ILE 88 CO 0.03 0.30 0.10 0.00 -0.69 0.00 0.00 178.15 177.89 1n8j h ALA 89 N 1.63 2.07 0.00 1.87 0.00 -0.46 -1.51 119.26 122.86 1n8j h ALA 89 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n8j h ALA 89 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n8j h ALA 89 CO 0.04 -0.10 0.00 0.36 0.00 0.00 0.00 179.25 179.54 1n8j n LYS 90 N -4.50 0.98 -2.60 0.00 2.85 -1.00 -4.80 118.16 109.09 1n8j n LYS 90 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.84 1n8j n LYS 90 Cb 0.19 -1.32 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.00 4.58 -0.98 0.58 1.01 -0.57 -4.90 121.20 118.91 1n8j s ILE 91 Ca 0.30 1.88 0.10 0.00 0.00 0.00 0.00 60.65 62.93 1n8j s ILE 91 Cb 0.14 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1n8j s ILE 91 CO 0.23 -0.06 0.67 0.29 0.00 0.00 0.00 174.94 176.07 1n8j n LYS 92 N 5.57 1.76 -2.56 2.79 5.02 -1.26 -4.71 118.16 124.76 1n8j n LYS 92 Ca 0.11 -0.70 -0.22 0.00 -2.02 0.00 0.00 58.31 55.47 1n8j n LYS 92 Cb 0.47 -1.10 0.05 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.24 2.76 0.10 2.13 -0.85 -1.26 -4.66 117.35 114.34 1n8j s TYR 93 Ca 0.09 0.04 -0.31 0.00 -0.52 0.00 0.00 57.07 56.37 1n8j s TYR 93 Cb 0.08 -2.85 -0.07 0.00 0.38 0.00 0.00 41.96 39.50 1n8j s TYR 93 CO 0.22 -1.03 1.34 0.00 -1.52 0.00 0.00 175.55 174.56 1n8j s ALA 94 N -2.87 3.54 -0.47 9.51 0.00 -1.21 -4.70 121.76 125.56 1n8j s ALA 94 Ca 0.59 1.05 -0.09 0.00 0.00 0.00 0.00 51.96 53.50 1n8j s ALA 94 Cb -0.10 -3.51 0.11 0.00 0.00 0.00 0.00 23.12 19.62 1n8j s ALA 94 CO 0.40 -0.57 0.34 -1.64 0.00 0.00 0.00 175.76 174.29 1n8j s MET 95 N 1.05 2.51 0.05 0.00 1.00 0.23 -1.71 119.30 122.42 1n8j s MET 95 Ca 0.63 -1.72 -0.29 0.00 0.00 0.00 0.00 55.69 54.31 1n8j s MET 95 Cb -0.35 -3.92 -0.04 0.00 0.00 0.00 0.00 34.83 30.52 1n8j s MET 95 CO 0.30 -1.16 0.93 0.42 0.00 0.00 0.00 175.02 175.51 1n8j s ILE 96 N 1.38 4.71 -0.05 2.53 1.01 0.01 -1.08 121.20 129.70 1n8j s ILE 96 Ca 0.05 1.99 -0.12 0.00 0.00 0.00 0.00 60.65 62.57 1n8j s ILE 96 Cb -0.26 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1n8j s ILE 96 CO -0.00 0.25 0.31 -0.83 0.00 0.00 0.00 174.94 174.67 1n8j s GLY 97 N 0.46 2.35 -0.39 6.18 0.00 -0.25 -3.25 107.32 112.42 1n8j s GLY 97 Ca 0.48 -0.38 0.11 0.00 0.00 0.00 0.00 44.72 44.93 1n8j s GLY 97 CO 0.28 -0.02 0.73 1.34 0.00 0.00 0.00 173.10 175.43 1n8j n ASP 98 N 2.01 1.07 0.29 1.64 2.03 -0.50 -4.25 116.55 118.83 1n8j n ASP 98 Ca -0.16 -3.04 0.15 0.00 0.52 0.00 0.00 54.79 52.26 1n8j n ASP 98 Cb 0.53 -0.62 0.90 0.00 -0.72 0.00 0.00 41.12 41.22 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 3.07 0.00 0.00 -0.67 0.13 -1.71 -0.84 132.00 131.97 1n8j h PRO 99 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1n8j h PRO 99 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1n8j h PRO 99 CO 0.52 0.00 -0.38 0.25 -0.23 0.00 0.00 178.00 178.16 1n8j n THR 100 N -3.87 0.32 -1.05 1.56 -2.24 -1.26 -4.92 114.28 102.82 1n8j n THR 100 Ca -0.03 -0.20 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1n8j n THR 100 Cb 0.10 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.37 0.46 0.26 3.38 0.00 -0.32 -4.91 105.19 105.43 1n8j n GLY 101 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 0.71 -0.51 4.61 0.00 -1.91 -0.68 119.26 121.48 1n8j h ALA 102 Ca -0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1n8j h ALA 102 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1n8j h ALA 102 CO 0.05 0.66 -0.13 1.25 0.00 0.00 0.00 179.25 181.08 1n8j h LEU 103 N 0.69 0.99 -0.47 0.00 6.46 -1.90 -1.48 115.31 119.61 1n8j h LEU 103 Ca 0.07 -0.36 -0.08 0.00 -0.12 0.00 0.00 57.88 57.39 1n8j h LEU 103 Cb 0.90 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1n8j h LEU 103 CO 0.08 1.13 -0.02 0.74 -0.62 0.00 0.00 178.44 179.75 1n8j h THR 104 N 0.85 1.26 0.00 1.05 2.02 -1.89 -2.65 112.91 113.55 1n8j h THR 104 Ca 0.13 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 1n8j h THR 104 Cb 0.70 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1n8j h THR 104 CO 0.05 0.38 -0.34 0.03 0.37 0.00 0.00 175.52 176.00 1n8j h ARG 105 N 0.68 0.00 -0.79 6.66 3.08 -1.04 0.13 114.38 123.10 1n8j h ARG 105 Ca 0.13 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1n8j h ARG 105 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1n8j h ARG 105 CO 0.03 0.34 0.52 -0.91 -1.07 0.00 0.00 179.97 178.89 1n8j h ASN 106 N 0.00 0.90 -0.42 7.04 2.35 -0.92 0.04 115.58 124.57 1n8j h ASN 106 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1n8j h ASN 106 Cb 0.90 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1n8j h ASN 106 CO 0.04 0.65 0.00 0.49 -1.65 0.00 0.00 177.43 176.96 1n8j n PHE 107 N -4.42 1.19 -4.25 1.19 3.72 -0.98 -4.85 117.46 109.06 1n8j n PHE 107 Ca 0.09 -0.44 -0.36 0.00 -0.05 0.00 0.00 57.45 56.69 1n8j n PHE 107 Cb 0.04 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 1n8j n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n8j n ASP 108 N 0.57 -2.58 -0.48 4.37 2.03 -0.00 -4.86 116.55 115.60 1n8j n ASP 108 Ca 0.18 -1.06 0.07 0.00 0.52 0.00 0.00 54.79 54.50 1n8j n ASP 108 Cb 0.75 -2.56 0.19 0.00 -0.72 0.00 0.00 41.12 38.78 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 -2.67 2.19 -4.75 1.67 4.05 0.40 -5.00 115.26 111.15 1n8j n ASN 109 Ca 0.02 -3.52 -0.37 0.00 0.45 0.00 0.00 54.58 51.16 1n8j n ASN 109 Cb 0.51 -0.50 -0.07 0.00 1.23 0.00 0.00 39.78 40.96 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 -3.08 4.21 -0.78 1.20 1.75 -1.25 -1.60 119.30 119.75 1n8j s MET 110 Ca 0.37 0.24 -0.21 0.00 -1.25 0.00 0.00 55.69 54.84 1n8j s MET 110 Cb 0.34 -3.39 0.10 0.00 2.84 0.00 0.00 34.83 34.71 1n8j s MET 110 CO -0.01 0.30 1.04 1.03 -0.65 0.00 0.00 175.02 176.72 1n8j s ARG 111 N 0.25 3.33 0.27 4.11 0.52 0.44 -4.90 118.95 122.96 1n8j s ARG 111 Ca 0.20 -1.25 -0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1n8j s ARG 111 Cb -0.14 -4.56 0.50 0.00 0.52 0.00 0.00 34.95 31.27 1n8j s ARG 111 CO 0.07 -1.80 1.83 0.93 0.02 0.00 0.00 175.30 176.35 1n8j h GLU 112 N 9.26 0.91 0.00 3.54 4.39 -1.95 0.15 114.58 130.89 1n8j h GLU 112 Ca -0.09 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1n8j h GLU 112 Cb 1.05 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1n8j h GLU 112 CO 1.16 0.60 0.00 -0.40 -1.16 0.00 0.00 179.01 179.21 1n8j n ASP 113 N -4.65 0.00 0.00 1.42 5.75 -1.26 -3.14 116.55 114.67 1n8j n ASP 113 Ca 0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1n8j n ASP 113 Cb 0.33 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n8j n GLU 114 N -1.25 1.25 -1.22 0.11 1.02 -0.55 -5.00 120.64 115.01 1n8j n GLU 114 Ca 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.16 1n8j n GLU 114 Cb 0.13 -0.89 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 2.02 0.94 3.51 0.62 0.00 0.42 -5.00 105.19 107.70 1n8j n GLY 115 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.70 2.77 0.45 0.99 1.43 -1.22 -4.79 118.68 116.62 1n8j s LEU 116 Ca 0.00 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 1n8j s LEU 116 Cb 0.00 -1.57 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 1n8j s LEU 116 CO 0.00 0.16 0.97 0.00 0.23 0.00 0.00 176.35 177.71 1n8j s ALA 117 N -1.29 3.01 0.66 4.21 0.00 -1.26 -0.42 121.76 126.67 1n8j s ALA 117 Ca 0.20 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 1n8j s ALA 117 Cb -0.10 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1n8j s ALA 117 CO 0.11 -0.01 1.04 -0.51 0.00 0.00 0.00 175.76 176.40 1n8j s ASP 118 N -2.28 5.77 -1.00 0.00 -0.00 -0.63 -3.04 116.67 115.49 1n8j s ASP 118 Ca 0.62 1.18 -0.23 0.00 -0.00 0.00 0.00 52.55 54.13 1n8j s ASP 118 Cb -0.10 -2.11 0.01 0.00 -0.00 0.00 0.00 42.92 40.71 1n8j s ASP 118 CO 0.17 -1.12 1.68 -0.13 -0.00 0.00 0.00 175.17 175.77 1n8j s ARG 119 N -5.24 3.17 0.04 8.23 0.52 -1.25 -4.08 118.95 120.34 1n8j s ARG 119 Ca 0.56 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1n8j s ARG 119 Cb -0.11 -5.25 -0.02 0.00 0.52 0.00 0.00 34.95 30.09 1n8j s ARG 119 CO 0.52 -2.74 -0.13 0.00 0.02 0.00 0.00 175.30 172.97 1n8j s ALA 120 N 7.15 1.06 -0.03 2.13 0.00 -1.23 -1.04 121.76 129.80 1n8j s ALA 120 Ca 0.57 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1n8j s ALA 120 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1n8j s ALA 120 CO -0.04 0.18 -0.21 0.99 0.00 0.00 0.00 175.76 176.68 1n8j s THR 121 N -0.91 1.72 -0.08 0.00 2.01 0.49 -1.04 115.64 117.83 1n8j s THR 121 Ca -0.00 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1n8j s THR 121 Cb -0.08 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1n8j s THR 121 CO 0.01 0.49 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.96 1n8j s PHE 122 N -0.28 1.46 -0.23 4.92 0.40 -0.24 -1.81 117.98 122.20 1n8j s PHE 122 Ca 0.02 -0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 55.66 1n8j s PHE 122 Cb -0.10 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1n8j s PHE 122 CO 0.01 -0.35 0.13 0.08 0.70 0.00 0.00 175.22 175.78 1n8j s VAL 123 N 1.00 5.03 -0.05 -0.44 1.01 -0.51 -1.02 120.40 125.42 1n8j s VAL 123 Ca -0.08 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1n8j s VAL 123 Cb -0.15 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1n8j s VAL 123 CO -0.00 0.36 -0.22 -0.69 0.00 0.00 0.00 175.10 174.55 1n8j s VAL 124 N 1.10 1.77 0.71 2.92 1.01 0.11 -0.30 120.40 127.72 1n8j s VAL 124 Ca 0.06 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1n8j s VAL 124 Cb -0.14 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.82 1n8j s VAL 124 CO 0.04 0.50 1.01 1.51 0.00 0.00 0.00 175.10 178.16 1n8j s ASP 125 N -0.12 4.64 0.57 3.32 1.47 -0.04 -0.30 116.67 126.22 1n8j s ASP 125 Ca -0.02 0.24 0.29 0.00 1.18 0.00 0.00 52.55 54.24 1n8j s ASP 125 Cb -0.12 -0.82 1.46 0.00 -0.34 0.00 0.00 42.92 43.10 1n8j s ASP 125 CO 0.03 -1.68 1.88 -0.65 0.68 0.00 0.00 175.17 175.42 1n8j h PRO 126 N -0.59 0.00 -0.14 2.11 0.11 -1.80 0.62 132.00 132.31 1n8j h PRO 126 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1n8j h PRO 126 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 126 CO 0.54 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.37 1n8j n GLN 127 N -3.86 1.55 -0.99 1.05 3.00 -1.26 -2.00 117.38 114.87 1n8j n GLN 127 Ca 0.12 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 1n8j n GLN 127 Cb 0.77 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.66 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 1.03 0.43 3.81 1.08 0.00 0.22 -4.93 105.19 106.82 1n8j n GLY 128 Ca 0.15 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -2.00 5.27 -0.22 -0.61 -1.09 -1.25 -1.27 121.20 120.03 1n8j s ILE 129 Ca 0.00 0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 58.68 1n8j s ILE 129 Cb 0.00 -3.59 -0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1n8j s ILE 129 CO 0.00 0.52 1.18 -0.63 -1.23 0.00 0.00 174.94 174.77 1n8j s ILE 130 N -0.45 4.41 -0.57 2.92 1.01 -0.56 -0.86 121.20 127.10 1n8j s ILE 130 Ca 0.18 1.68 0.18 0.00 0.00 0.00 0.00 60.65 62.69 1n8j s ILE 130 Cb -0.14 -4.17 -0.22 0.00 0.01 0.00 0.00 42.46 37.95 1n8j s ILE 130 CO 0.07 -0.24 0.63 0.00 0.00 0.00 0.00 174.94 175.40 1n8j n GLN 131 N 6.65 1.02 -3.59 2.79 1.13 0.60 -0.77 117.38 125.21 1n8j n GLN 131 Ca 0.13 -0.05 -0.16 0.00 -1.94 0.00 0.00 57.00 54.98 1n8j n GLN 131 Cb 0.46 -1.36 -0.07 0.00 0.11 0.00 0.00 30.24 29.38 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -2.84 -1.70 -0.00 -1.58 0.00 -1.22 -4.95 121.76 109.48 1n8j s ALA 132 Ca 0.02 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1n8j s ALA 132 Cb 0.13 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1n8j s ALA 132 CO 0.73 -0.34 -0.01 0.42 0.00 0.00 0.00 175.76 176.55 1n8j s ILE 133 N -0.44 0.10 -0.03 0.00 1.01 -1.26 -1.42 121.20 119.15 1n8j s ILE 133 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1n8j s ILE 133 Cb -0.03 -0.10 0.02 0.00 0.01 0.00 0.00 42.46 42.37 1n8j s ILE 133 CO 0.05 0.04 -0.01 -0.70 0.00 0.00 0.00 174.94 174.32 1n8j s GLU 134 N 0.06 0.43 -0.02 2.79 2.12 -0.75 -4.99 118.70 118.34 1n8j s GLU 134 Ca -0.00 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.36 1n8j s GLU 134 Cb -0.02 -0.55 0.02 0.00 0.26 0.00 0.00 34.13 33.84 1n8j s GLU 134 CO -0.00 -0.11 -0.00 0.08 -0.54 0.00 0.00 175.26 174.68 1n8j s VAL 135 N 0.94 0.16 0.16 3.70 1.01 -1.26 -0.38 120.40 124.73 1n8j s VAL 135 Ca -0.10 0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1n8j s VAL 135 Cb -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1n8j s VAL 135 CO -0.01 0.12 -0.09 0.42 0.00 0.00 0.00 175.10 175.53 1n8j s THR 136 N 0.74 1.17 0.96 3.92 -4.23 -0.21 -5.00 115.64 112.99 1n8j s THR 136 Ca -0.07 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.26 1n8j s THR 136 Cb -0.10 -1.92 0.16 0.00 1.34 0.00 0.00 72.50 71.98 1n8j s THR 136 CO -0.01 -0.68 1.09 0.00 -0.54 0.00 0.00 174.62 174.47 1n8j s ALA 137 N -3.33 1.10 0.25 3.99 0.00 -1.26 -3.94 121.76 118.56 1n8j s ALA 137 Ca 0.18 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 1n8j s ALA 137 Cb 0.03 -3.29 0.43 0.00 0.00 0.00 0.00 23.12 20.29 1n8j s ALA 137 CO 0.02 -2.78 1.63 1.49 0.00 0.00 0.00 175.76 176.12 1n8j h GLU 138 N -1.87 0.09 -0.20 0.00 4.57 -2.01 -2.17 114.58 112.99 1n8j h GLU 138 Ca -0.50 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1n8j h GLU 138 Cb 1.29 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1n8j h GLU 138 CO 0.49 0.06 0.00 0.41 -1.18 0.00 0.00 179.01 178.79 1n8j n GLY 139 N -1.43 0.19 3.23 1.92 0.00 -1.26 -4.81 105.19 103.02 1n8j n GLY 139 Ca 0.14 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.73 3.39 0.59 -0.61 1.01 -0.82 -5.08 121.20 117.95 1n8j s ILE 140 Ca 0.26 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 1n8j s ILE 140 Cb 0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1n8j s ILE 140 CO 0.20 -0.12 1.07 -0.83 0.00 0.00 0.00 174.94 175.26 1n8j s GLY 141 N 1.33 2.20 0.64 6.18 0.00 -1.26 -4.61 107.32 111.81 1n8j s GLY 141 Ca -0.03 0.47 -0.03 0.00 0.00 0.00 0.00 44.72 45.13 1n8j s GLY 141 CO 0.01 0.80 0.91 0.50 0.00 0.00 0.00 173.10 175.31 1n8j s ARG 142 N -3.94 2.27 -0.24 2.90 0.52 -1.26 -5.09 118.95 114.11 1n8j s ARG 142 Ca 0.65 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1n8j s ARG 142 Cb -0.17 -2.32 0.05 0.00 0.52 0.00 0.00 34.95 33.03 1n8j s ARG 142 CO 0.35 -1.05 -0.10 0.34 0.02 0.00 0.00 175.30 174.86 1n8j s ASP 143 N -4.51 4.02 0.46 0.23 -1.08 -1.26 -4.93 116.67 109.60 1n8j s ASP 143 Ca 0.60 -1.20 0.14 0.00 -0.52 0.00 0.00 52.55 51.57 1n8j s ASP 143 Cb -0.10 -1.39 1.09 0.00 -1.46 0.00 0.00 42.92 41.06 1n8j s ASP 143 CO 0.42 -0.18 2.05 0.00 0.52 0.00 0.00 175.17 177.98 1n8j h ALA 144 N 7.87 1.98 -0.19 3.66 0.00 -1.93 -1.49 119.26 129.16 1n8j h ALA 144 Ca -0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1n8j h ALA 144 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1n8j h ALA 144 CO 0.46 -0.05 -0.10 0.66 0.00 0.00 0.00 179.25 180.22 1n8j h SER 145 N 0.28 0.28 -0.16 0.00 4.64 -1.94 -0.77 113.55 115.88 1n8j h SER 145 Ca 0.16 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 1n8j h SER 145 Cb 0.27 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1n8j h SER 145 CO -0.03 0.42 -0.37 0.44 -0.87 0.00 0.00 176.83 176.42 1n8j h ASP 146 N 0.29 0.72 -0.42 4.97 3.32 -1.71 -2.59 116.42 121.00 1n8j h ASP 146 Ca 0.06 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1n8j h ASP 146 Cb 0.37 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1n8j h ASP 146 CO 0.02 1.02 0.22 0.25 -1.72 0.00 0.00 179.24 179.03 1n8j h LEU 147 N 0.57 0.53 -0.35 1.55 5.85 -1.09 -2.79 115.31 119.58 1n8j h LEU 147 Ca 0.05 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1n8j h LEU 147 Cb 0.89 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1n8j h LEU 147 CO 0.08 0.48 0.21 -0.07 -0.34 0.00 0.00 178.44 178.79 1n8j h LEU 148 N 0.54 0.34 -0.67 2.25 3.38 -1.02 -0.86 115.31 119.26 1n8j h LEU 148 Ca 0.15 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.20 1n8j h LEU 148 Cb 0.07 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1n8j h LEU 148 CO -0.02 0.25 0.33 -0.09 0.09 0.00 0.00 178.44 178.99 1n8j h ARG 149 N 0.43 0.56 -0.59 1.13 2.43 -1.37 -0.40 114.38 116.57 1n8j h ARG 149 Ca 0.14 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1n8j h ARG 149 Cb 0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1n8j h ARG 149 CO -0.06 0.37 0.03 0.87 -1.51 0.00 0.00 179.97 179.67 1n8j h LYS 150 N 0.58 1.00 -0.55 0.20 1.57 -1.17 -0.76 116.57 117.44 1n8j h LYS 150 Ca 0.33 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1n8j h LYS 150 Cb 0.33 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1n8j h LYS 150 CO -0.25 0.96 0.22 0.82 -0.57 0.00 0.00 179.45 180.63 1n8j h ILE 151 N 0.93 1.22 -0.26 1.86 2.04 -0.32 -0.38 117.51 122.60 1n8j h ILE 151 Ca 0.17 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1n8j h ILE 151 Cb 0.49 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1n8j h ILE 151 CO 0.02 0.27 0.06 0.11 0.00 0.00 0.00 178.15 178.61 1n8j h LYS 152 N 0.76 0.42 -0.88 2.37 1.57 -0.83 0.09 116.57 120.07 1n8j h LYS 152 Ca 0.18 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1n8j h LYS 152 Cb 0.20 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1n8j h LYS 152 CO -0.01 0.51 0.56 0.00 -0.57 0.00 0.00 179.45 179.94 1n8j h ALA 153 N 0.89 1.17 -0.69 3.86 0.00 -0.98 0.19 119.26 123.71 1n8j h ALA 153 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1n8j h ALA 153 Cb 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1n8j h ALA 153 CO 0.00 0.39 0.12 0.00 0.00 0.00 0.00 179.25 179.77 1n8j h ALA 154 N 1.37 0.91 -0.30 0.00 0.00 -0.72 -2.05 119.26 118.48 1n8j h ALA 154 Ca 0.36 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1n8j h ALA 154 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1n8j h ALA 154 CO -0.13 0.67 -0.01 1.96 0.00 0.00 0.00 179.25 181.74 1n8j h GLN 155 N 1.05 0.53 0.32 0.00 4.20 -0.02 -2.44 115.11 118.75 1n8j h GLN 155 Ca 0.21 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1n8j h GLN 155 Cb 0.43 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1n8j h GLN 155 CO 0.01 0.68 -0.48 -0.92 -0.67 0.00 0.00 178.83 177.45 1n8j h TYR 156 N 0.32 -1.35 -0.35 2.96 3.20 -0.42 -1.61 116.97 119.71 1n8j h TYR 156 Ca 0.08 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1n8j h TYR 156 Cb 0.44 0.55 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1n8j h TYR 156 CO 0.04 -0.59 0.24 -0.39 -1.64 0.00 0.00 178.16 175.82 1n8j h VAL 157 N -0.83 0.90 -0.78 1.81 -1.51 -1.42 -0.16 116.25 114.26 1n8j h VAL 157 Ca -0.04 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 1n8j h VAL 157 Cb 0.76 0.74 -0.04 0.00 -2.13 0.00 0.00 31.29 30.63 1n8j h VAL 157 CO -0.15 0.03 0.33 0.00 -1.23 0.00 0.00 177.57 176.55 1n8j h ALA 158 N 1.82 1.12 0.00 5.19 0.00 -0.83 -2.54 119.26 124.01 1n8j h ALA 158 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n8j h ALA 158 Cb 0.45 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n8j h ALA 158 CO -0.02 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1n8j h ALA 159 N 1.24 0.96 -2.33 0.00 0.00 -0.17 -3.39 119.26 115.57 1n8j h ALA 159 Ca 0.26 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.59 1n8j h ALA 159 Cb 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.57 1n8j h ALA 159 CO -0.03 0.00 -0.90 0.72 0.00 0.00 0.00 179.25 179.04 1n8j n HIS 160 N -2.61 0.60 -0.24 0.00 -0.00 -0.51 -4.98 115.22 107.48 1n8j n HIS 160 Ca 0.05 -3.68 0.32 0.00 -0.00 0.00 0.00 57.72 54.41 1n8j n HIS 160 Cb 0.48 -0.20 0.66 0.00 -0.00 0.00 0.00 29.99 30.92 1n8j n HIS 160 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1n8j h PRO 161 N 4.82 0.00 -0.13 -0.41 0.11 -1.75 0.57 132.00 135.21 1n8j h PRO 161 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1n8j h PRO 161 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1n8j h PRO 161 CO 0.53 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 1n8j n GLY 162 N -1.71 0.01 3.44 -0.55 0.00 -1.26 -4.91 105.19 100.21 1n8j n GLY 162 Ca 0.23 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.83 1.61 0.02 1.61 2.02 0.19 -4.06 118.70 118.26 1n8j s GLU 163 Ca 0.31 -1.86 -0.05 0.00 0.02 0.00 0.00 54.97 53.38 1n8j s GLU 163 Cb 0.16 -0.98 -0.01 0.00 0.10 0.00 0.00 34.13 33.41 1n8j s GLU 163 CO 0.25 -0.10 0.08 0.14 0.02 0.00 0.00 175.26 175.64 1n8j s VAL 164 N -3.19 0.11 -0.27 2.63 -7.23 -0.08 -4.82 120.40 107.55 1n8j s VAL 164 Ca 0.33 -0.89 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 1n8j s VAL 164 Cb 0.07 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1n8j s VAL 164 CO 0.14 -0.49 0.33 0.00 -0.31 0.00 0.00 175.10 174.76 1n8j s PRO 166 N 1.97 -0.17 0.49 0.00 0.02 -1.26 -4.88 135.00 131.16 1n8j s PRO 166 Ca 0.13 0.65 -0.23 0.00 0.02 0.00 0.00 61.00 61.57 1n8j s PRO 166 Cb -0.16 -1.66 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 1n8j s PRO 166 CO 0.10 -3.17 1.18 0.00 -0.33 0.00 0.00 177.00 174.79 1n8j n ALA 167 N -4.50 0.95 -0.88 -1.55 0.00 -1.26 -2.13 120.51 111.14 1n8j n ALA 167 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1n8j n ALA 167 Cb 0.56 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 -0.40 -0.59 -1.65 0.00 5.02 -1.26 -4.95 118.16 114.33 1n8j n LYS 168 Ca 0.09 0.15 -0.46 0.00 -2.02 0.00 0.00 58.31 56.08 1n8j n LYS 168 Cb 0.42 -3.84 -0.03 0.00 -0.02 0.00 0.00 35.03 31.57 1n8j n LYS 168 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1n8j n TRP 169 N -2.26 1.91 -4.48 2.13 -0.00 -0.90 -5.02 117.44 108.81 1n8j n TRP 169 Ca 0.00 0.51 -0.23 0.00 -0.00 0.00 0.00 57.50 57.78 1n8j n TRP 169 Cb 0.15 -2.40 -0.10 0.00 -0.00 0.00 0.00 31.31 28.95 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -0.55 1.73 0.12 5.87 1.02 -1.26 -4.93 119.74 121.74 1n8j s LYS 170 Ca 0.68 -1.98 -0.31 0.00 0.02 0.00 0.00 55.97 54.38 1n8j s LYS 170 Cb -0.70 -0.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.62 1n8j s LYS 170 CO 0.52 -0.22 1.35 -1.21 -0.92 0.00 0.00 175.35 174.86 1n8j s GLU 171 N -3.85 4.35 0.00 1.68 2.02 -1.26 -2.19 118.70 119.45 1n8j s GLU 171 Ca 0.33 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1n8j s GLU 171 Cb 0.08 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1n8j s GLU 171 CO 0.15 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1n8j n GLY 172 N 3.24 1.61 3.84 -1.39 0.00 -1.26 -5.06 105.19 106.18 1n8j n GLY 172 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.85 3.05 0.26 1.61 0.41 -0.93 -5.00 118.70 117.25 1n8j s GLU 173 Ca 0.00 0.79 -0.30 0.00 -0.41 0.00 0.00 54.97 55.06 1n8j s GLU 173 Cb 0.00 -2.02 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 1n8j s GLU 173 CO 0.00 -0.97 1.26 0.00 -0.49 0.00 0.00 175.26 175.05 1n8j s ALA 174 N -3.14 3.48 0.48 5.21 0.00 -1.26 -4.91 121.76 121.63 1n8j s ALA 174 Ca 0.57 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.70 1n8j s ALA 174 Cb -0.13 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1n8j s ALA 174 CO 0.54 -0.48 0.36 0.95 0.00 0.00 0.00 175.76 177.14 1n8j s THR 175 N -0.57 2.09 0.04 0.00 -4.23 -1.26 -4.58 115.64 107.13 1n8j s THR 175 Ca 0.51 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1n8j s THR 175 Cb -0.36 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1n8j s THR 175 CO 0.43 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.57 1n8j s LEU 176 N -4.17 2.59 -0.38 4.79 1.43 -0.62 -4.99 118.68 117.33 1n8j s LEU 176 Ca 0.40 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1n8j s LEU 176 Cb -0.01 -1.51 0.11 0.00 0.03 0.00 0.00 46.19 44.80 1n8j s LEU 176 CO 0.24 0.26 0.10 0.00 0.23 0.00 0.00 176.35 177.18 1n8j s ALA 177 N -0.91 2.90 0.27 4.21 0.00 -1.26 -0.91 121.76 126.07 1n8j s ALA 177 Ca 0.14 -2.65 -0.28 0.00 0.00 0.00 0.00 51.96 49.17 1n8j s ALA 177 Cb -0.10 -1.99 -0.14 0.00 0.00 0.00 0.00 23.12 20.88 1n8j s ALA 177 CO 0.05 -1.77 0.97 -2.30 0.00 0.00 0.00 175.76 172.71 1n8j n PRO 178 N 4.02 1.20 -3.55 0.00 -0.02 -1.26 -4.93 135.00 130.46 1n8j n PRO 178 Ca 0.04 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1n8j n PRO 178 Cb 0.40 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.58 -0.34 0.25 2.55 1.04 -1.26 -5.01 113.70 110.35 1n8j s SER 179 Ca 0.60 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 1n8j s SER 179 Cb -0.73 0.44 0.27 0.00 0.10 0.00 0.00 66.02 66.10 1n8j s SER 179 CO 0.59 -0.73 1.85 0.25 0.98 0.00 0.00 173.24 176.18 1n8j h LEU 180 N 2.00 1.04 -0.99 2.42 6.46 -1.98 -2.43 115.31 121.83 1n8j h LEU 180 Ca -0.24 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.34 1n8j h LEU 180 Cb 1.25 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1n8j h LEU 180 CO 0.30 0.86 -0.03 -0.78 -0.62 0.00 0.00 178.44 178.18 1n8j h ASP 181 N 1.14 0.66 0.78 1.25 1.82 -1.98 -2.59 116.42 117.50 1n8j h ASP 181 Ca 0.28 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1n8j h ASP 181 Cb 0.09 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 1n8j h ASP 181 CO -0.04 0.75 -0.09 -0.07 -1.61 0.00 0.00 179.24 178.18 1n8j h LEU 182 N 0.65 0.00 -9.22 2.28 3.38 -1.80 -3.41 115.31 107.19 1n8j h LEU 182 Ca 0.13 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.50 1n8j h LEU 182 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n8j h LEU 182 CO 0.02 0.09 1.20 0.52 0.09 0.00 0.00 178.44 180.36 1n8j n VAL 183 N -3.28 0.59 0.00 1.22 0.31 -0.98 -1.13 118.33 115.05 1n8j n VAL 183 Ca -0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1n8j n VAL 183 Cb 0.31 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 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 4.72 2.63 0.21 2.92 0.00 -1.26 -4.87 105.19 109.54 1n8j n GLY 184 Ca 0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -0.00 1.61 1.57 -1.36 -3.55 116.57 116.91 1n8j h LYS 185 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n8j h LYS 185 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n8j h LYS 185 CO 0.00 0.10 0.00 -0.89 -0.57 0.00 0.00 179.45 178.09