#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 2.98 -4.69 2.46 4.77 -1.26 -4.96 117.00 116.30 1n8j n LEU 2 Ca 0.00 -1.49 -0.44 0.00 -0.03 0.00 0.00 56.01 54.05 1n8j n LEU 2 Cb 0.00 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1n8j n LEU 2 CO 0.00 0.62 0.96 0.00 -1.33 0.00 0.00 177.39 177.64 1n8j n ILE 3 N 0.82 1.48 -2.11 -0.08 0.13 -1.26 -1.89 119.36 116.45 1n8j n ILE 3 Ca 0.17 -0.37 -0.16 0.00 -1.10 0.00 0.00 62.75 61.29 1n8j n ILE 3 Cb 0.52 -1.53 -0.02 0.00 -0.84 0.00 0.00 39.64 37.77 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 1.48 -4.76 -4.46 9.51 4.05 -0.15 -4.98 115.26 115.94 1n8j n ASN 4 Ca 0.08 0.08 -0.26 0.00 0.45 0.00 0.00 54.58 54.93 1n8j n ASN 4 Cb 0.34 -3.83 -0.11 0.00 1.23 0.00 0.00 39.78 37.41 1n8j n ASN 4 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1n8j s THR 5 N -2.74 2.53 0.21 -0.44 -4.23 -0.79 -4.85 115.64 105.34 1n8j s THR 5 Ca 0.00 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.16 1n8j s THR 5 Cb 0.00 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.51 1n8j s THR 5 CO 0.00 -0.18 0.96 -0.75 -0.54 0.00 0.00 174.62 174.11 1n8j s LYS 6 N -2.89 4.80 0.60 3.99 2.20 -1.26 -1.71 119.74 125.47 1n8j s LYS 6 Ca 0.23 1.51 -0.18 0.00 -0.36 0.00 0.00 55.97 57.18 1n8j s LYS 6 Cb -0.07 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1n8j s LYS 6 CO 0.12 0.42 1.15 0.96 -0.36 0.00 0.00 175.35 177.63 1n8j s ILE 7 N -0.90 3.01 0.46 5.43 -4.36 0.46 -4.97 121.20 120.34 1n8j s ILE 7 Ca 0.43 0.57 -0.05 0.00 -0.26 0.00 0.00 60.65 61.34 1n8j s ILE 7 Cb -0.26 -3.16 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1n8j s ILE 7 CO 0.32 -0.19 0.75 -0.54 0.24 0.00 0.00 174.94 175.52 1n8j s LYS 8 N -3.58 3.55 0.62 0.37 1.02 -1.26 -5.04 119.74 115.41 1n8j s LYS 8 Ca 0.72 0.14 -0.19 0.00 0.02 0.00 0.00 55.97 56.66 1n8j s LYS 8 Cb -0.25 -2.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1n8j s LYS 8 CO 0.34 -0.14 1.30 -2.30 -0.92 0.00 0.00 175.35 173.62 1n8j n PRO 9 N -2.12 1.26 -3.46 -1.68 -0.02 -1.26 -4.84 135.00 122.87 1n8j n PRO 9 Ca -0.00 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1n8j n PRO 9 Cb 0.55 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1n8j n PRO 9 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1n8j s PHE 10 N -1.36 -0.55 -0.24 6.00 -0.12 -1.26 -4.97 117.98 115.47 1n8j s PHE 10 Ca 0.80 0.55 -0.03 0.00 -0.05 0.00 0.00 56.93 58.20 1n8j s PHE 10 Cb -0.39 0.51 0.12 0.00 -0.63 0.00 0.00 43.02 42.63 1n8j s PHE 10 CO 0.43 -0.74 0.31 0.21 -0.05 0.00 0.00 175.22 175.38 1n8j s LYS 11 N -2.90 0.29 0.09 1.99 2.20 -1.26 -3.02 119.74 117.13 1n8j s LYS 11 Ca -0.02 0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.91 1n8j s LYS 11 Cb -0.01 -0.78 -0.03 0.00 -1.51 0.00 0.00 37.83 35.50 1n8j s LYS 11 CO -0.06 -0.74 -0.12 -0.80 -0.36 0.00 0.00 175.35 173.28 1n8j s ASN 12 N 2.43 1.59 0.36 1.43 -0.87 -0.31 -4.98 114.94 114.59 1n8j s ASN 12 Ca 0.10 -0.73 -0.13 0.00 -1.57 0.00 0.00 52.86 50.53 1n8j s ASN 12 Cb -0.15 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.25 40.98 1n8j s ASN 12 CO -0.18 -0.17 0.76 -1.10 -2.57 0.00 0.00 177.10 173.84 1n8j s GLN 13 N -2.32 3.91 0.18 -0.60 -1.52 -1.26 -0.43 119.66 117.62 1n8j s GLN 13 Ca 0.02 0.60 -0.10 0.00 -1.95 0.00 0.00 55.36 53.94 1n8j s GLN 13 Cb -0.06 -2.40 -0.01 0.00 -0.22 0.00 0.00 33.01 30.32 1n8j s GLN 13 CO 0.01 0.06 0.32 0.00 -0.25 0.00 0.00 175.29 175.44 1n8j s ALA 14 N -2.17 -0.08 -0.13 6.09 0.00 0.16 -1.52 121.76 124.12 1n8j s ALA 14 Ca 0.53 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1n8j s ALA 14 Cb -0.10 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1n8j s ALA 14 CO 0.24 -0.68 -0.11 0.12 0.00 0.00 0.00 175.76 175.33 1n8j s PHE 15 N -3.97 2.86 -0.15 0.00 5.36 -0.25 -0.72 117.98 121.10 1n8j s PHE 15 Ca 0.18 -0.51 -0.06 0.00 -0.96 0.00 0.00 56.93 55.58 1n8j s PHE 15 Cb 0.03 -1.85 0.07 0.00 -0.34 0.00 0.00 43.02 40.93 1n8j s PHE 15 CO 0.01 -0.13 0.32 0.21 -1.46 0.00 0.00 175.22 174.17 1n8j s LYS 16 N 0.24 0.21 -0.80 10.12 2.20 0.21 -0.29 119.74 131.63 1n8j s LYS 16 Ca -0.07 0.85 -0.16 0.00 -0.36 0.00 0.00 55.97 56.23 1n8j s LYS 16 Cb -0.15 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 1n8j s LYS 16 CO 0.05 -0.27 0.49 0.09 -0.36 0.00 0.00 175.35 175.34 1n8j n ASN 17 N 5.35 -3.29 0.00 1.43 3.02 -1.26 -1.66 115.26 118.85 1n8j n ASN 17 Ca -0.07 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1n8j n ASN 17 Cb 0.50 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 1n8j n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8j n GLY 18 N -1.64 3.21 3.37 7.41 0.00 -1.26 -5.03 105.19 111.25 1n8j n GLY 18 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.50 1.54 -0.13 1.61 -1.05 -0.66 -5.14 118.70 114.37 1n8j s GLU 19 Ca 0.00 -1.85 -0.11 0.00 -0.15 0.00 0.00 54.97 52.85 1n8j s GLU 19 Cb 0.00 -0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 33.18 1n8j s GLU 19 CO 0.00 -0.29 0.24 -0.06 0.95 0.00 0.00 175.26 176.10 1n8j s PHE 20 N -3.56 3.53 0.14 4.83 0.08 -1.26 -0.62 117.98 121.13 1n8j s PHE 20 Ca 0.36 0.59 0.02 0.00 0.12 0.00 0.00 56.93 58.02 1n8j s PHE 20 Cb 0.08 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1n8j s PHE 20 CO 0.15 0.45 -0.02 0.96 -0.10 0.00 0.00 175.22 176.66 1n8j s ILE 21 N -0.21 0.66 -0.15 0.64 -4.36 0.10 -4.95 121.20 112.94 1n8j s ILE 21 Ca 0.16 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.52 1n8j s ILE 21 Cb -0.13 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1n8j s ILE 21 CO 0.04 -0.62 0.07 -0.70 0.24 0.00 0.00 174.94 173.97 1n8j s GLU 22 N -3.89 3.68 -0.04 0.37 2.12 -1.26 0.39 118.70 120.06 1n8j s GLU 22 Ca 0.20 -0.31 0.06 0.00 0.36 0.00 0.00 54.97 55.28 1n8j s GLU 22 Cb 0.06 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 1n8j s GLU 22 CO 0.01 0.46 -0.23 0.08 -0.54 0.00 0.00 175.26 175.04 1n8j s VAL 23 N -0.17 1.87 0.27 3.70 1.01 0.43 -4.96 120.40 122.55 1n8j s VAL 23 Ca 0.08 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1n8j s VAL 23 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1n8j s VAL 23 CO 0.01 0.53 0.17 0.42 0.00 0.00 0.00 175.10 176.23 1n8j s THR 24 N -0.30 0.16 0.55 3.92 -4.23 -1.26 -1.16 115.64 113.32 1n8j s THR 24 Ca 0.02 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.86 1n8j s THR 24 Cb -0.11 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.58 1n8j s THR 24 CO 0.01 0.00 2.23 1.05 -0.54 0.00 0.00 174.62 177.38 1n8j h GLU 25 N 2.34 0.00 -0.50 3.99 9.09 -1.86 -1.48 114.58 126.16 1n8j h GLU 25 Ca -0.33 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.07 1n8j h GLU 25 Cb 1.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 1n8j h GLU 25 CO 0.49 0.03 0.24 0.87 0.05 0.00 0.00 179.01 180.70 1n8j h LYS 26 N 0.00 0.70 0.00 1.06 6.56 -1.95 -1.45 116.57 121.49 1n8j h LYS 26 Ca -0.00 -0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1n8j h LYS 26 Cb 0.10 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1n8j h LYS 26 CO 0.00 0.54 -0.06 -0.44 -2.06 0.00 0.00 179.45 177.43 1n8j h ASP 27 N 0.70 0.00 1.03 0.86 3.32 -1.67 -2.85 116.42 117.80 1n8j h ASP 27 Ca 0.18 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1n8j h ASP 27 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1n8j h ASP 27 CO -0.02 0.06 -0.99 0.71 -1.72 0.00 0.00 179.24 177.28 1n8j h THR 28 N 0.00 0.06 -3.16 0.35 1.35 -1.37 -3.46 112.91 106.68 1n8j h THR 28 Ca -0.00 -1.12 -0.53 0.00 -0.55 0.00 0.00 66.41 64.22 1n8j h THR 28 Cb 0.31 1.59 0.07 0.00 -1.73 0.00 0.00 68.15 68.40 1n8j h THR 28 CO 0.01 0.03 0.89 -1.61 -0.25 0.00 0.00 175.52 174.60 1n8j s GLU 29 N -3.31 4.15 0.00 4.72 2.02 -1.08 -1.96 118.70 123.25 1n8j s GLU 29 Ca -0.00 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.51 1n8j s GLU 29 Cb 0.09 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1n8j s GLU 29 CO 0.79 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.85 1n8j n GLY 30 N 2.68 0.79 3.32 -1.39 0.00 -0.62 -5.01 105.19 104.97 1n8j n GLY 30 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.02 1.33 -0.09 1.61 0.52 -0.83 -4.86 118.95 116.61 1n8j s ARG 31 Ca 0.00 -1.67 -0.16 0.00 -0.52 0.00 0.00 55.73 53.38 1n8j s ARG 31 Cb 0.00 -0.57 -0.05 0.00 0.52 0.00 0.00 34.95 34.86 1n8j s ARG 31 CO 0.00 -0.11 0.40 -1.58 0.02 0.00 0.00 175.30 174.02 1n8j s TRP 32 N -3.46 3.57 0.06 -0.53 0.52 -1.19 -2.27 118.94 115.64 1n8j s TRP 32 Ca 0.29 0.84 0.06 0.00 0.02 0.00 0.00 56.10 57.30 1n8j s TRP 32 Cb 0.06 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 1n8j s TRP 32 CO 0.09 0.36 -0.16 -1.12 0.02 0.00 0.00 176.95 176.14 1n8j s SER 33 N -0.04 1.87 -0.17 2.95 0.01 0.34 -0.52 113.70 118.15 1n8j s SER 33 Ca 0.22 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1n8j s SER 33 Cb -0.15 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1n8j s SER 33 CO 0.09 0.02 -0.19 -0.69 0.41 0.00 0.00 173.24 172.89 1n8j s VAL 34 N -1.00 1.93 -0.34 3.43 1.01 0.19 0.31 120.40 125.93 1n8j s VAL 34 Ca 0.02 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1n8j s VAL 34 Cb -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1n8j s VAL 34 CO 0.02 0.52 0.20 -0.36 0.00 0.00 0.00 175.10 175.48 1n8j s PHE 35 N 1.27 3.21 -0.47 5.22 0.40 0.26 -0.86 117.98 127.00 1n8j s PHE 35 Ca 0.03 -0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 1n8j s PHE 35 Cb -0.13 -2.43 0.12 0.00 0.51 0.00 0.00 43.02 41.09 1n8j s PHE 35 CO -0.11 -0.49 0.30 0.12 0.70 0.00 0.00 175.22 175.75 1n8j s PHE 36 N 1.64 3.51 0.16 0.36 5.36 -0.14 -0.62 117.98 128.25 1n8j s PHE 36 Ca 0.04 -2.25 -0.18 0.00 -0.96 0.00 0.00 56.93 53.58 1n8j s PHE 36 Cb -0.18 -3.34 -0.07 0.00 -0.34 0.00 0.00 43.02 39.09 1n8j s PHE 36 CO 0.08 -0.97 0.64 -0.06 -1.46 0.00 0.00 175.22 173.46 1n8j s PHE 37 N 1.04 3.69 0.06 10.12 0.40 0.48 -0.16 117.98 133.62 1n8j s PHE 37 Ca 0.09 1.29 -0.06 0.00 -0.60 0.00 0.00 56.93 57.65 1n8j s PHE 37 Cb -0.23 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.75 1n8j s PHE 37 CO -0.03 0.44 0.11 1.52 0.70 0.00 0.00 175.22 177.95 1n8j s TYR 38 N -1.38 0.25 0.06 0.36 -0.85 -0.25 -3.08 117.35 112.46 1n8j s TYR 38 Ca 0.38 -0.65 -0.29 0.00 -0.52 0.00 0.00 57.07 55.99 1n8j s TYR 38 Cb -0.17 -0.16 -0.18 0.00 0.38 0.00 0.00 41.96 41.83 1n8j s TYR 38 CO 0.20 -0.44 1.56 -1.35 -1.52 0.00 0.00 175.55 174.01 1n8j h PRO 39 N 3.19 -0.59 -1.98 -3.49 0.11 -1.78 -3.39 132.00 124.06 1n8j h PRO 39 Ca -0.33 0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 1n8j h PRO 39 Cb 1.18 0.13 -0.19 0.00 0.11 0.00 0.00 31.00 32.23 1n8j h PRO 39 CO 0.56 -0.36 0.20 0.00 -0.21 0.00 0.00 178.00 178.19 1n8j s ALA 40 N -5.81 -1.78 0.80 -0.75 0.00 -1.26 -4.25 121.76 108.71 1n8j s ALA 40 Ca -0.16 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1n8j s ALA 40 Cb 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1n8j s ALA 40 CO 0.61 -0.36 1.09 -0.51 0.00 0.00 0.00 175.76 176.59 1n8j s ASP 41 N -1.07 4.28 -1.62 0.00 1.11 -1.26 -3.72 116.67 114.39 1n8j s ASP 41 Ca -0.10 1.79 -0.01 0.00 0.18 0.00 0.00 52.55 54.40 1n8j s ASP 41 Cb -0.00 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.52 1n8j s ASP 41 CO 0.09 -2.17 0.19 0.49 1.18 0.00 0.00 175.17 174.95 1n8j n PHE 42 N -3.61 -1.25 -2.90 4.23 3.01 -1.26 -5.00 117.46 110.68 1n8j n PHE 42 Ca 0.09 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1n8j n PHE 42 Cb 0.53 -3.98 0.00 0.00 -0.01 0.00 0.00 39.48 36.02 1n8j n PHE 42 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n8j n THR 43 N -4.16 0.00 -0.05 4.37 -2.24 -1.24 -5.12 114.28 105.83 1n8j n THR 43 Ca -0.19 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1n8j n THR 43 Cb 0.66 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.14 0.07 -0.09 4.78 3.72 -1.26 -4.46 117.46 120.08 1n8j n PHE 44 Ca 0.00 0.03 -0.10 0.00 -0.05 0.00 0.00 57.45 57.33 1n8j n PHE 44 Cb 0.00 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -0.54 1.17 -0.64 -4.37 2.07 -1.98 -3.29 116.25 108.67 1n8j h VAL 45 Ca 0.00 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.13 1n8j h VAL 45 Cb 0.51 0.98 -0.12 0.00 -1.52 0.00 0.00 31.29 31.14 1n8j h VAL 45 CO 0.00 0.18 -0.16 0.28 0.02 0.00 0.00 177.57 177.89 1n8j h SER 46 N 0.32 -0.60 -0.45 0.57 0.02 -1.90 -1.89 113.55 109.61 1n8j h SER 46 Ca 0.10 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1n8j h SER 46 Cb 0.17 0.40 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 1n8j h SER 46 CO -0.01 -0.21 0.08 -0.65 -1.14 0.00 0.00 176.83 174.90 1n8j h PRO 47 N -0.00 0.20 -0.67 3.45 0.11 -1.78 0.53 132.00 133.84 1n8j h PRO 47 Ca 0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1n8j h PRO 47 Cb 0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1n8j h PRO 47 CO -0.66 0.13 0.39 1.79 -0.21 0.00 0.00 178.00 179.44 1n8j h THR 48 N 0.21 1.19 -0.28 -1.15 1.35 -1.48 0.37 112.91 113.12 1n8j h THR 48 Ca 0.22 -0.44 -0.08 0.00 -0.55 0.00 0.00 66.41 65.56 1n8j h THR 48 Cb 0.29 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 1n8j h THR 48 CO -0.30 0.20 -0.14 -0.33 -0.25 0.00 0.00 175.52 174.70 1n8j h GLU 49 N 0.92 0.58 -0.49 4.72 5.08 -0.72 -1.56 114.58 123.11 1n8j h GLU 49 Ca 0.24 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1n8j h GLU 49 Cb -0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1n8j h GLU 49 CO -0.04 0.83 0.01 -0.07 -1.00 0.00 0.00 179.01 178.74 1n8j h LEU 50 N 0.32 0.78 -0.36 1.33 3.38 -0.51 -1.91 115.31 118.34 1n8j h LEU 50 Ca 0.06 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1n8j h LEU 50 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1n8j h LEU 50 CO 0.04 0.83 -0.35 1.23 0.09 0.00 0.00 178.44 180.29 1n8j h GLY 51 N 0.98 0.96 0.79 0.83 0.00 -0.90 -1.80 103.07 103.92 1n8j h GLY 51 Ca 0.15 -0.97 0.05 0.00 0.00 0.00 0.00 47.33 46.56 1n8j h GLY 51 CO 0.02 0.88 0.50 -1.80 0.00 0.00 0.00 176.54 176.13 1n8j h ASP 52 N 0.68 0.80 -0.04 0.19 -0.00 -0.98 0.12 116.42 117.18 1n8j h ASP 52 Ca 0.06 0.01 -0.14 0.00 -0.00 0.00 0.00 57.03 56.96 1n8j h ASP 52 Cb 0.93 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 40.09 1n8j h ASP 52 CO 0.09 0.53 -0.43 0.58 -0.00 0.00 0.00 179.24 180.00 1n8j h VAL 53 N 0.94 1.30 -0.85 2.25 2.07 -1.22 -2.70 116.25 118.05 1n8j h VAL 53 Ca 0.34 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1n8j h VAL 53 Cb 0.09 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1n8j h VAL 53 CO -0.14 0.51 0.54 0.00 0.02 0.00 0.00 177.57 178.49 1n8j h ALA 54 N 1.06 1.08 -0.12 1.67 0.00 -0.34 -0.50 119.26 122.11 1n8j h ALA 54 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1n8j h ALA 54 Cb 0.94 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n8j h ALA 54 CO 0.08 0.51 0.14 -0.44 0.00 0.00 0.00 179.25 179.54 1n8j h ASP 55 N 1.16 0.00 -0.36 0.00 3.32 -0.48 -1.09 116.42 118.96 1n8j h ASP 55 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1n8j h ASP 55 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1n8j h ASP 55 CO -0.06 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.87 1n8j n HIS 56 N -3.82 0.47 -0.24 4.55 8.25 -0.27 -4.64 115.22 119.52 1n8j n HIS 56 Ca 0.00 -0.29 -0.04 0.00 -0.26 0.00 0.00 57.72 57.13 1n8j n HIS 56 Cb 0.25 -0.01 0.06 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 3.66 0.81 -0.18 4.41 3.20 -0.35 0.04 116.97 128.56 1n8j h TYR 57 Ca 0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1n8j h TYR 57 Cb 0.87 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1n8j h TYR 57 CO 0.23 0.48 -0.11 0.93 -1.64 0.00 0.00 178.16 178.06 1n8j h GLU 58 N 0.86 -0.10 -0.08 1.82 4.39 -1.82 0.26 114.58 119.90 1n8j h GLU 58 Ca 0.26 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.00 1n8j h GLU 58 Cb -0.03 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1n8j h GLU 58 CO -0.09 -0.07 -0.12 1.49 -1.16 0.00 0.00 179.01 179.06 1n8j h GLU 59 N -0.10 -0.16 -0.61 2.33 4.81 -1.73 -1.22 114.58 117.89 1n8j h GLU 59 Ca 0.11 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1n8j h GLU 59 Cb 0.26 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1n8j h GLU 59 CO -0.25 -0.11 0.39 -0.07 -0.73 0.00 0.00 179.01 178.25 1n8j h LEU 60 N -0.17 0.67 -1.09 1.64 3.38 -0.43 -1.88 115.31 117.42 1n8j h LEU 60 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1n8j h LEU 60 Cb 0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1n8j h LEU 60 CO -0.18 0.48 0.30 1.56 0.09 0.00 0.00 178.44 180.69 1n8j h GLN 61 N 0.80 0.94 0.00 1.13 1.08 -0.21 0.15 115.11 118.99 1n8j h GLN 61 Ca 0.23 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1n8j h GLN 61 Cb -0.06 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.19 1n8j h GLN 61 CO -0.06 0.74 -0.14 -0.22 -0.95 0.00 0.00 178.83 178.20 1n8j h LYS 62 N 0.93 0.00 -0.14 1.46 3.64 -0.63 0.37 116.57 122.20 1n8j h LYS 62 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1n8j h LYS 62 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1n8j h LYS 62 CO -0.03 0.14 0.00 1.28 -2.27 0.00 0.00 179.45 178.57 1n8j n LEU 63 N -3.86 1.38 -1.90 5.20 4.77 -0.13 -4.90 117.00 117.56 1n8j n LEU 63 Ca -0.02 -0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1n8j n LEU 63 Cb 0.24 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1n8j n LEU 63 CO 0.32 0.29 -0.02 0.61 -1.33 0.00 0.00 177.39 177.26 1n8j n GLY 64 N 1.06 -0.07 3.36 -0.72 0.00 0.12 -4.94 105.19 104.00 1n8j n GLY 64 Ca 0.15 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.90 3.30 -0.07 1.61 1.01 -0.22 -3.15 120.40 119.97 1n8j s VAL 65 Ca 0.17 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1n8j s VAL 65 Cb -0.07 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1n8j s VAL 65 CO 0.21 0.48 0.20 -1.81 0.00 0.00 0.00 175.10 174.18 1n8j s ASP 66 N 0.85 6.46 -0.12 3.32 1.01 0.32 -3.87 116.67 124.65 1n8j s ASP 66 Ca -0.02 0.54 -0.02 0.00 0.71 0.00 0.00 52.55 53.76 1n8j s ASP 66 Cb -0.15 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 1n8j s ASP 66 CO 0.01 0.36 -0.05 -0.69 0.21 0.00 0.00 175.17 175.01 1n8j s VAL 67 N -1.11 3.82 -0.18 -1.27 1.01 -1.26 -0.63 120.40 120.78 1n8j s VAL 67 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1n8j s VAL 67 Cb -0.13 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1n8j s VAL 67 CO 0.09 0.54 -0.03 -0.31 0.00 0.00 0.00 175.10 175.39 1n8j s TYR 68 N -0.16 1.60 0.25 5.22 1.51 -0.04 -3.37 117.35 122.36 1n8j s TYR 68 Ca 0.03 -1.09 -0.09 0.00 -1.01 0.00 0.00 57.07 54.90 1n8j s TYR 68 Cb -0.13 -1.26 -0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1n8j s TYR 68 CO 0.03 -0.62 0.57 -1.54 -1.11 0.00 0.00 175.55 172.87 1n8j s SER 69 N 1.67 6.61 -0.03 2.29 1.04 -0.80 -0.97 113.70 123.51 1n8j s SER 69 Ca -0.01 0.93 -0.02 0.00 0.48 0.00 0.00 55.95 57.34 1n8j s SER 69 Cb -0.16 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.75 1n8j s SER 69 CO -0.07 -0.11 0.07 -0.69 0.98 0.00 0.00 173.24 173.41 1n8j s VAL 70 N -1.89 -0.02 0.10 5.02 1.01 0.78 -0.34 120.40 125.06 1n8j s VAL 70 Ca 0.48 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 1n8j s VAL 70 Cb -0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 1n8j s VAL 70 CO 0.22 0.03 0.21 -0.94 0.00 0.00 0.00 175.10 174.63 1n8j s SER 71 N 0.49 0.09 0.00 3.32 1.04 -1.19 -1.09 113.70 116.37 1n8j s SER 71 Ca -0.04 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1n8j s SER 71 Cb -0.05 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1n8j s SER 71 CO -0.02 -0.76 0.95 0.35 0.98 0.00 0.00 173.24 174.74 1n8j n THR 72 N -0.10 0.00 -1.70 2.02 -2.24 -1.26 -1.14 114.28 109.85 1n8j n THR 72 Ca -0.14 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1n8j n THR 72 Cb 0.63 -0.03 0.11 0.00 -2.10 0.00 0.00 70.33 68.94 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -1.05 3.99 0.70 3.42 1.01 -1.26 -3.55 116.67 119.93 1n8j s ASP 73 Ca 0.00 0.89 -0.06 0.00 0.71 0.00 0.00 52.55 54.09 1n8j s ASP 73 Cb 0.00 -1.43 0.07 0.00 1.01 0.00 0.00 42.92 42.57 1n8j s ASP 73 CO 0.00 -2.24 1.00 0.42 0.21 0.00 0.00 175.17 174.56 1n8j s THR 74 N -3.41 2.30 0.08 -1.27 -4.23 -1.26 -2.70 115.64 105.14 1n8j s THR 74 Ca 0.63 -0.32 0.25 0.00 -1.18 0.00 0.00 61.69 61.07 1n8j s THR 74 Cb -0.13 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1n8j s THR 74 CO 0.51 0.00 1.81 1.12 -0.54 0.00 0.00 174.62 177.52 1n8j h HIS 75 N -0.56 0.00 -0.25 3.99 2.07 -1.88 -2.66 115.15 115.86 1n8j h HIS 75 Ca -0.44 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.06 1n8j h HIS 75 Cb 1.31 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.28 1n8j h HIS 75 CO 0.26 0.20 0.06 0.74 -3.07 0.00 0.00 177.93 176.12 1n8j h PHE 76 N 0.00 0.42 -0.78 6.12 -1.00 -1.96 -2.19 116.94 117.55 1n8j h PHE 76 Ca -0.00 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1n8j h PHE 76 Cb 0.77 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.18 1n8j h PHE 76 CO 0.00 0.49 0.47 1.15 -1.61 0.00 0.00 178.31 178.80 1n8j h THR 77 N 0.22 1.22 -0.63 -1.55 2.02 -1.88 -1.84 112.91 110.48 1n8j h THR 77 Ca 0.08 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1n8j h THR 77 Cb 0.28 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1n8j h THR 77 CO 0.00 0.23 0.16 0.45 0.37 0.00 0.00 175.52 176.73 1n8j h HIS 78 N 1.08 1.01 -0.57 3.16 3.86 -1.15 -0.41 115.15 122.12 1n8j h HIS 78 Ca 0.28 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 1n8j h HIS 78 Cb -0.04 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 1n8j h HIS 78 CO 0.00 0.83 0.07 -0.22 0.86 0.00 0.00 177.93 179.48 1n8j h LYS 79 N 0.93 0.96 -0.47 2.45 3.64 -0.77 -0.78 116.57 122.53 1n8j h LYS 79 Ca 0.20 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1n8j h LYS 79 Cb 0.32 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1n8j h LYS 79 CO -0.00 0.93 0.14 0.00 -2.27 0.00 0.00 179.45 178.25 1n8j h ALA 80 N 1.00 0.61 -0.17 5.00 0.00 -0.83 -2.54 119.26 122.34 1n8j h ALA 80 Ca 0.17 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n8j h ALA 80 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n8j h ALA 80 CO 0.02 0.27 -0.19 2.35 0.00 0.00 0.00 179.25 181.70 1n8j h TRP 81 N 0.62 0.30 0.00 0.00 7.01 -0.94 -2.33 115.95 120.61 1n8j h TRP 81 Ca 0.15 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.03 1n8j h TRP 81 Cb 0.28 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1n8j h TRP 81 CO 0.01 0.46 -0.34 1.25 -2.79 0.00 0.00 178.44 177.04 1n8j h HIS 82 N 0.26 0.00 0.21 2.65 2.76 -0.80 -2.51 115.15 117.72 1n8j h HIS 82 Ca 0.05 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.90 1n8j h HIS 82 Cb 0.49 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.47 1n8j h HIS 82 CO 0.01 0.34 -1.50 0.77 -1.30 0.00 0.00 177.93 176.25 1n8j h SER 83 N 0.00 0.69 0.23 3.26 0.02 -1.03 -3.30 113.55 113.41 1n8j h SER 83 Ca -0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1n8j h SER 83 Cb 0.70 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1n8j h SER 83 CO 0.04 1.70 -0.19 -1.54 -1.14 0.00 0.00 176.83 175.71 1n8j n SER 84 N -3.74 0.97 -4.13 3.07 3.41 -0.95 -4.86 113.62 107.38 1n8j n SER 84 Ca -0.20 -0.91 -0.30 0.00 -0.26 0.00 0.00 58.87 57.20 1n8j n SER 84 Cb 1.05 0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 64.90 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 -2.42 2.64 0.13 4.04 0.15 -0.95 -5.02 113.70 112.26 1n8j s SER 85 Ca 0.27 -0.48 -0.24 0.00 0.70 0.00 0.00 55.95 56.21 1n8j s SER 85 Cb 0.20 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 1n8j s SER 85 CO 0.48 0.08 1.65 -0.33 1.20 0.00 0.00 173.24 176.32 1n8j h GLU 86 N 7.05 -0.30 -0.51 5.44 4.39 -1.89 -0.39 114.58 128.37 1n8j h GLU 86 Ca -0.27 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 1n8j h GLU 86 Cb 1.20 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1n8j h GLU 86 CO 0.49 -0.20 0.17 1.79 -1.16 0.00 0.00 179.01 180.10 1n8j h THR 87 N -0.31 1.23 -0.08 1.13 1.35 -1.95 -3.04 112.91 111.23 1n8j h THR 87 Ca 0.08 -0.75 -0.11 0.00 -0.55 0.00 0.00 66.41 65.08 1n8j h THR 87 Cb 0.42 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1n8j h THR 87 CO -0.24 0.28 -0.44 0.40 -0.25 0.00 0.00 175.52 175.27 1n8j h ILE 88 N 0.70 1.32 0.00 6.82 1.08 -1.80 -2.90 117.51 122.73 1n8j h ILE 88 Ca 0.17 -1.58 -0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1n8j h ILE 88 Cb 0.26 1.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1n8j h ILE 88 CO -0.01 0.47 -0.00 0.00 -0.69 0.00 0.00 178.15 177.92 1n8j h ALA 89 N 1.39 1.24 -0.02 1.87 0.00 -0.95 -1.12 119.26 121.67 1n8j h ALA 89 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n8j h ALA 89 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1n8j h ALA 89 CO 0.07 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.68 1n8j n LYS 90 N -3.43 1.36 -2.59 0.00 2.85 -1.09 -4.83 118.16 110.42 1n8j n LYS 90 Ca -0.03 -0.52 -0.42 0.00 -1.05 0.00 0.00 58.31 56.28 1n8j n LYS 90 Cb 0.08 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 32.97 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -1.98 4.56 -0.41 0.58 1.01 -0.42 -4.91 121.20 119.63 1n8j s ILE 91 Ca 0.40 1.85 0.04 0.00 0.00 0.00 0.00 60.65 62.94 1n8j s ILE 91 Cb 0.20 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.53 1n8j s ILE 91 CO 0.33 0.03 0.72 0.29 0.00 0.00 0.00 174.94 176.30 1n8j n LYS 92 N 4.88 0.27 -2.75 2.79 5.02 -1.26 -4.70 118.16 122.40 1n8j n LYS 92 Ca 0.09 -0.93 -0.20 0.00 -2.02 0.00 0.00 58.31 55.25 1n8j n LYS 92 Cb 0.48 -1.07 0.04 0.00 -0.02 0.00 0.00 35.03 34.46 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1n8j s TYR 93 N -0.45 2.58 0.15 2.13 -0.85 -1.26 -4.65 117.35 115.00 1n8j s TYR 93 Ca 0.05 -0.19 -0.30 0.00 -0.52 0.00 0.00 57.07 56.11 1n8j s TYR 93 Cb 0.03 -2.65 -0.07 0.00 0.38 0.00 0.00 41.96 39.64 1n8j s TYR 93 CO 0.05 -0.89 1.15 0.00 -1.52 0.00 0.00 175.55 174.33 1n8j s ALA 94 N -2.70 3.39 -0.46 9.51 0.00 -1.22 -4.65 121.76 125.64 1n8j s ALA 94 Ca 0.58 0.86 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 1n8j s ALA 94 Cb -0.09 -3.39 0.11 0.00 0.00 0.00 0.00 23.12 19.75 1n8j s ALA 94 CO 0.38 -0.30 0.32 -1.64 0.00 0.00 0.00 175.76 174.51 1n8j s MET 95 N -0.04 2.48 0.14 0.00 1.00 0.61 -1.90 119.30 121.59 1n8j s MET 95 Ca 0.52 -1.70 -0.30 0.00 0.00 0.00 0.00 55.69 54.21 1n8j s MET 95 Cb -0.30 -3.87 -0.07 0.00 0.00 0.00 0.00 34.83 30.59 1n8j s MET 95 CO 0.34 -1.13 1.02 0.42 0.00 0.00 0.00 175.02 175.67 1n8j s ILE 96 N 1.36 4.24 -0.16 2.53 1.01 0.54 -1.09 121.20 129.62 1n8j s ILE 96 Ca 0.05 1.89 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 1n8j s ILE 96 Cb -0.25 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1n8j s ILE 96 CO -0.00 0.31 0.19 -0.83 0.00 0.00 0.00 174.94 174.60 1n8j s GLY 97 N -0.08 2.13 -0.46 6.18 0.00 -0.57 -3.20 107.32 111.31 1n8j s GLY 97 Ca 0.48 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.69 1n8j s GLY 97 CO 0.32 0.11 0.88 1.34 0.00 0.00 0.00 173.10 175.74 1n8j n ASP 98 N 3.15 2.74 0.19 1.64 2.03 -0.30 -4.24 116.55 121.76 1n8j n ASP 98 Ca -0.16 -3.32 0.14 0.00 0.52 0.00 0.00 54.79 51.97 1n8j n ASP 98 Cb 0.53 -0.57 0.73 0.00 -0.72 0.00 0.00 41.12 41.08 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 2.95 0.00 0.00 -0.67 0.13 -1.70 -0.38 132.00 132.33 1n8j h PRO 99 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1n8j h PRO 99 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1n8j h PRO 99 CO 0.66 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.22 1n8j h THR 100 N 0.00 0.00 0.00 1.56 1.35 -1.92 -3.47 112.91 110.43 1n8j h THR 100 Ca 0.08 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1n8j h THR 100 Cb 0.36 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1n8j h THR 100 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1n8j n GLY 101 N 1.03 0.61 0.27 5.82 0.00 -0.15 -4.94 105.19 107.83 1n8j n GLY 101 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.69 -0.30 4.61 0.00 -1.91 0.23 119.26 122.58 1n8j h ALA 102 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1n8j h ALA 102 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1n8j h ALA 102 CO 0.00 0.58 0.06 1.25 0.00 0.00 0.00 179.25 181.14 1n8j h LEU 103 N 0.81 0.47 -0.90 0.00 6.46 -1.92 0.69 115.31 120.92 1n8j h LEU 103 Ca 0.13 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1n8j h LEU 103 Cb 0.65 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1n8j h LEU 103 CO 0.04 0.60 0.39 0.74 -0.62 0.00 0.00 178.44 179.59 1n8j h THR 104 N 0.32 1.25 0.00 1.05 2.02 -1.89 -2.29 112.91 113.37 1n8j h THR 104 Ca 0.09 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 1n8j h THR 104 Cb 0.33 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1n8j h THR 104 CO 0.00 0.31 -0.59 0.03 0.37 0.00 0.00 175.52 175.64 1n8j h ARG 105 N 1.17 0.00 -0.52 6.66 3.08 -0.63 0.14 114.38 124.28 1n8j h ARG 105 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1n8j h ARG 105 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1n8j h ARG 105 CO -0.03 0.59 0.33 -0.91 -1.07 0.00 0.00 179.97 178.87 1n8j h ASN 106 N 0.00 0.60 -0.42 7.04 2.35 -0.31 -0.34 115.58 124.50 1n8j h ASN 106 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1n8j h ASN 106 Cb 1.09 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1n8j h ASN 106 CO 0.08 0.45 0.00 0.49 -1.65 0.00 0.00 177.43 176.79 1n8j n PHE 107 N -4.45 1.25 -4.21 1.19 3.72 -1.01 -4.87 117.46 109.09 1n8j n PHE 107 Ca 0.05 -0.46 -0.32 0.00 -0.05 0.00 0.00 57.45 56.68 1n8j n PHE 107 Cb 0.06 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.55 -0.62 -0.10 4.37 2.03 -0.14 -4.85 116.55 117.79 1n8j n ASP 108 Ca 0.18 -1.13 0.06 0.00 0.52 0.00 0.00 54.79 54.42 1n8j n ASP 108 Cb 0.79 -2.31 0.09 0.00 -0.72 0.00 0.00 41.12 38.97 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 -2.83 1.95 -4.75 1.67 4.05 0.00 -5.02 115.26 110.34 1n8j n ASN 109 Ca -0.19 -2.66 -0.39 0.00 0.45 0.00 0.00 54.58 51.79 1n8j n ASN 109 Cb 0.62 -0.29 -0.05 0.00 1.23 0.00 0.00 39.78 41.29 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 -2.06 4.35 -0.74 1.20 1.75 -1.25 -1.39 119.30 121.15 1n8j s MET 110 Ca 0.20 0.76 -0.20 0.00 -1.25 0.00 0.00 55.69 55.20 1n8j s MET 110 Cb 0.18 -3.36 0.10 0.00 2.84 0.00 0.00 34.83 34.59 1n8j s MET 110 CO 0.02 0.31 0.97 1.03 -0.65 0.00 0.00 175.02 176.70 1n8j s ARG 111 N -0.01 3.27 0.33 4.11 0.52 0.16 -4.90 118.95 122.44 1n8j s ARG 111 Ca 0.32 -1.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1n8j s ARG 111 Cb -0.18 -4.48 0.60 0.00 0.52 0.00 0.00 34.95 31.41 1n8j s ARG 111 CO 0.17 -1.75 1.96 0.93 0.02 0.00 0.00 175.30 176.64 1n8j h GLU 112 N 9.22 0.90 0.00 3.54 4.39 -1.95 0.09 114.58 130.77 1n8j h GLU 112 Ca -0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1n8j h GLU 112 Cb 1.06 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1n8j h GLU 112 CO 1.14 0.60 0.00 -0.40 -1.16 0.00 0.00 179.01 179.18 1n8j n ASP 113 N -4.46 0.22 -0.00 1.42 5.75 -1.26 -3.37 116.55 114.85 1n8j n ASP 113 Ca 0.10 0.54 0.03 0.00 -0.01 0.00 0.00 54.79 55.45 1n8j n ASP 113 Cb 0.13 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 39.58 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 -1.72 1.09 -1.06 0.11 1.02 -0.75 -4.99 120.64 114.34 1n8j n GLU 114 Ca 0.04 -0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.11 1n8j n GLU 114 Cb 0.26 -1.09 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 1.94 0.53 3.47 0.62 0.00 -0.06 -5.01 105.19 106.68 1n8j n GLY 115 Ca -0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.47 2.59 0.42 0.99 1.43 -1.22 -4.78 118.68 117.65 1n8j s LEU 116 Ca 0.00 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.10 1n8j s LEU 116 Cb 0.00 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.86 1n8j s LEU 116 CO 0.00 0.10 0.88 0.00 0.23 0.00 0.00 176.35 177.56 1n8j s ALA 117 N -1.85 3.16 0.80 4.21 0.00 -1.26 -0.67 121.76 126.15 1n8j s ALA 117 Ca 0.24 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1n8j s ALA 117 Cb -0.07 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 20.13 1n8j s ALA 117 CO 0.12 0.08 1.13 -0.51 0.00 0.00 0.00 175.76 176.59 1n8j s ASP 118 N -2.52 4.50 -1.06 0.00 1.11 -0.49 -3.06 116.67 115.16 1n8j s ASP 118 Ca 0.58 1.03 -0.22 0.00 0.18 0.00 0.00 52.55 54.11 1n8j s ASP 118 Cb -0.10 -1.67 0.05 0.00 1.07 0.00 0.00 42.92 42.28 1n8j s ASP 118 CO 0.20 -1.93 1.50 -0.13 1.18 0.00 0.00 175.17 176.00 1n8j s ARG 119 N -5.36 3.61 0.08 8.23 0.52 -1.25 -3.98 118.95 120.79 1n8j s ARG 119 Ca 0.61 -1.22 0.07 0.00 -0.52 0.00 0.00 55.73 54.67 1n8j s ARG 119 Cb -0.13 -5.38 -0.03 0.00 0.52 0.00 0.00 34.95 29.94 1n8j s ARG 119 CO 0.52 -2.25 -0.19 0.00 0.02 0.00 0.00 175.30 173.40 1n8j s ALA 120 N 5.03 1.58 -0.05 2.13 0.00 -1.18 -0.89 121.76 128.39 1n8j s ALA 120 Ca 0.48 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1n8j s ALA 120 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1n8j s ALA 120 CO -0.07 0.31 -0.14 0.99 0.00 0.00 0.00 175.76 176.85 1n8j s THR 121 N -1.07 1.21 -0.11 0.00 2.01 0.13 -0.38 115.64 117.42 1n8j s THR 121 Ca 0.04 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1n8j s THR 121 Cb -0.09 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.36 1n8j s THR 121 CO 0.03 0.36 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.83 1n8j s PHE 122 N 0.30 1.84 -0.24 4.92 0.40 0.21 -1.57 117.98 123.84 1n8j s PHE 122 Ca -0.08 -0.88 -0.15 0.00 -0.60 0.00 0.00 56.93 55.23 1n8j s PHE 122 Cb -0.13 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1n8j s PHE 122 CO 0.03 -0.48 0.36 0.08 0.70 0.00 0.00 175.22 175.90 1n8j s VAL 123 N 1.13 5.21 -0.09 -0.44 1.01 -0.70 -0.58 120.40 125.95 1n8j s VAL 123 Ca -0.04 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1n8j s VAL 123 Cb -0.14 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1n8j s VAL 123 CO -0.03 0.22 -0.23 -0.69 0.00 0.00 0.00 175.10 174.37 1n8j s VAL 124 N 1.60 2.16 0.91 2.92 1.01 0.15 -0.48 120.40 128.66 1n8j s VAL 124 Ca 0.16 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1n8j s VAL 124 Cb -0.15 -1.82 0.19 0.00 0.00 0.00 0.00 36.38 34.60 1n8j s VAL 124 CO 0.08 0.56 1.24 1.51 0.00 0.00 0.00 175.10 178.50 1n8j s ASP 125 N 0.16 3.36 0.35 3.32 1.47 0.18 -0.50 116.67 125.00 1n8j s ASP 125 Ca -0.13 0.04 0.24 0.00 1.18 0.00 0.00 52.55 53.88 1n8j s ASP 125 Cb -0.16 -0.14 1.26 0.00 -0.34 0.00 0.00 42.92 43.54 1n8j s ASP 125 CO 0.07 -2.55 1.73 -0.65 0.68 0.00 0.00 175.17 174.45 1n8j h PRO 126 N -1.37 0.00 -0.73 2.11 0.11 -1.76 -0.60 132.00 129.77 1n8j h PRO 126 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1n8j h PRO 126 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1n8j h PRO 126 CO 0.37 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.20 1n8j n GLN 127 N -2.34 2.80 -1.00 1.05 3.00 -1.26 -1.59 117.38 118.05 1n8j n GLN 127 Ca -0.01 -2.68 -0.00 0.00 -0.01 0.00 0.00 57.00 54.30 1n8j n GLN 127 Cb 0.06 -1.59 -0.00 0.00 0.00 0.00 0.00 30.24 28.71 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 1.60 0.48 3.75 1.08 0.00 -0.23 -4.89 105.19 106.98 1n8j n GLY 128 Ca 0.24 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.96 5.09 -0.15 -0.61 -1.09 -1.26 -0.40 121.20 120.82 1n8j s ILE 129 Ca 0.00 1.05 -0.29 0.00 -2.23 0.00 0.00 60.65 59.17 1n8j s ILE 129 Cb 0.00 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1n8j s ILE 129 CO 0.00 0.38 1.30 -0.63 -1.23 0.00 0.00 174.94 174.75 1n8j s ILE 130 N 0.21 4.21 -0.28 2.92 1.01 -0.70 -0.65 121.20 127.93 1n8j s ILE 130 Ca 0.28 1.47 0.14 0.00 0.00 0.00 0.00 60.65 62.54 1n8j s ILE 130 Cb -0.16 -3.95 -0.19 0.00 0.01 0.00 0.00 42.46 38.17 1n8j s ILE 130 CO 0.13 -0.12 0.43 0.00 0.00 0.00 0.00 174.94 175.37 1n8j n GLN 131 N 6.58 1.24 -3.67 2.79 1.13 0.36 -0.98 117.38 124.83 1n8j n GLN 131 Ca 0.14 -0.08 -0.15 0.00 -1.94 0.00 0.00 57.00 54.98 1n8j n GLN 131 Cb 0.45 -1.26 -0.08 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.72 -1.22 -0.02 -1.58 0.00 -1.22 -4.94 121.76 110.07 1n8j s ALA 132 Ca -0.01 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1n8j s ALA 132 Cb 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1n8j s ALA 132 CO 0.58 -0.28 0.05 0.42 0.00 0.00 0.00 175.76 176.53 1n8j s ILE 133 N -0.74 -0.00 -0.05 0.00 1.01 -1.26 -1.71 121.20 118.45 1n8j s ILE 133 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 1n8j s ILE 133 Cb -0.03 -0.08 0.03 0.00 0.01 0.00 0.00 42.46 42.39 1n8j s ILE 133 CO 0.05 0.00 0.11 -0.70 0.00 0.00 0.00 174.94 174.39 1n8j s GLU 134 N 0.03 0.06 -0.03 2.79 2.12 -0.61 -4.98 118.70 118.09 1n8j s GLU 134 Ca -0.00 0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.63 1n8j s GLU 134 Cb -0.00 -0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.23 1n8j s GLU 134 CO 0.00 -0.15 -0.05 0.08 -0.54 0.00 0.00 175.26 174.61 1n8j s VAL 135 N 0.99 0.49 0.13 3.70 1.01 -1.26 0.17 120.40 125.63 1n8j s VAL 135 Ca -0.08 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1n8j s VAL 135 Cb -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1n8j s VAL 135 CO -0.04 0.19 -0.11 0.42 0.00 0.00 0.00 175.10 175.55 1n8j s THR 136 N 0.51 1.19 1.00 3.92 -4.23 -0.07 -5.00 115.64 112.97 1n8j s THR 136 Ca -0.06 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1n8j s THR 136 Cb -0.10 -1.68 0.19 0.00 1.34 0.00 0.00 72.50 72.25 1n8j s THR 136 CO -0.00 -0.62 1.10 0.00 -0.54 0.00 0.00 174.62 174.56 1n8j s ALA 137 N -2.84 0.78 0.27 3.99 0.00 -1.26 -3.88 121.76 118.82 1n8j s ALA 137 Ca 0.13 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 1n8j s ALA 137 Cb -0.01 -3.35 0.61 0.00 0.00 0.00 0.00 23.12 20.37 1n8j s ALA 137 CO 0.01 -3.11 1.69 1.49 0.00 0.00 0.00 175.76 175.85 1n8j h GLU 138 N -2.11 0.33 -0.49 0.00 4.57 -2.00 -2.36 114.58 112.52 1n8j h GLU 138 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1n8j h GLU 138 Cb 1.29 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1n8j h GLU 138 CO 0.46 0.22 0.00 0.41 -1.18 0.00 0.00 179.01 178.92 1n8j n GLY 139 N -1.35 1.25 3.09 1.92 0.00 -1.26 -4.81 105.19 104.04 1n8j n GLY 139 Ca 0.19 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.54 2.30 0.62 -0.61 1.01 -0.89 -5.10 121.20 116.98 1n8j s ILE 140 Ca 0.29 -1.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 1n8j s ILE 140 Cb 0.17 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1n8j s ILE 140 CO 0.17 0.02 1.07 -0.83 0.00 0.00 0.00 174.94 175.37 1n8j s GLY 141 N 1.14 2.12 0.73 6.18 0.00 -1.26 -4.61 107.32 111.62 1n8j s GLY 141 Ca -0.07 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.03 1n8j s GLY 141 CO -0.05 0.75 1.02 0.50 0.00 0.00 0.00 173.10 175.32 1n8j s ARG 142 N -4.12 1.80 -0.23 2.90 0.52 -1.26 -5.09 118.95 113.47 1n8j s ARG 142 Ca 0.64 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1n8j s ARG 142 Cb -0.17 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.13 1n8j s ARG 142 CO 0.39 -1.42 0.03 0.34 0.02 0.00 0.00 175.30 174.66 1n8j s ASP 143 N -4.65 3.38 0.47 0.23 -1.08 -1.26 -4.91 116.67 108.85 1n8j s ASP 143 Ca 0.64 -1.09 0.24 0.00 -0.52 0.00 0.00 52.55 51.82 1n8j s ASP 143 Cb -0.07 -0.78 1.27 0.00 -1.46 0.00 0.00 42.92 41.88 1n8j s ASP 143 CO 0.45 -0.32 1.85 0.00 0.52 0.00 0.00 175.17 177.67 1n8j h ALA 144 N 8.15 2.52 -0.90 3.66 0.00 -1.92 -1.22 119.26 129.54 1n8j h ALA 144 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 144 Cb 1.08 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1n8j h ALA 144 CO 0.38 -0.82 0.60 0.66 0.00 0.00 0.00 179.25 180.07 1n8j h SER 145 N 0.23 1.03 -0.64 0.00 4.64 -1.95 -0.69 113.55 116.17 1n8j h SER 145 Ca 0.49 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.75 1n8j h SER 145 Cb 1.53 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1n8j h SER 145 CO -0.13 0.74 0.25 0.44 -0.87 0.00 0.00 176.83 177.27 1n8j h ASP 146 N 1.22 0.89 -0.19 4.97 3.32 -1.66 -2.13 116.42 122.83 1n8j h ASP 146 Ca 0.33 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1n8j h ASP 146 Cb -0.13 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 1n8j h ASP 146 CO -0.08 0.82 0.06 0.25 -1.72 0.00 0.00 179.24 178.58 1n8j h LEU 147 N 0.90 0.07 -1.01 1.55 5.85 -1.37 -2.16 115.31 119.13 1n8j h LEU 147 Ca 0.21 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1n8j h LEU 147 Cb 0.22 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1n8j h LEU 147 CO -0.02 0.07 0.66 -0.07 -0.34 0.00 0.00 178.44 178.74 1n8j h LEU 148 N 0.15 1.08 -0.50 2.25 3.38 -0.76 -0.25 115.31 120.66 1n8j h LEU 148 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1n8j h LEU 148 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1n8j h LEU 148 CO -0.09 0.73 0.20 -0.09 0.09 0.00 0.00 178.44 179.28 1n8j h ARG 149 N 1.25 0.74 -0.42 1.13 2.43 -1.02 -1.48 114.38 117.01 1n8j h ARG 149 Ca 0.41 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1n8j h ARG 149 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1n8j h ARG 149 CO -0.14 0.66 0.10 0.87 -1.51 0.00 0.00 179.97 179.95 1n8j h LYS 150 N 0.66 0.68 0.17 0.20 1.57 -0.82 -0.93 116.57 118.09 1n8j h LYS 150 Ca 0.17 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1n8j h LYS 150 Cb 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1n8j h LYS 150 CO -0.01 0.69 -0.28 0.82 -0.57 0.00 0.00 179.45 180.10 1n8j h ILE 151 N 0.54 0.40 -0.93 1.86 2.04 -0.86 0.20 117.51 120.76 1n8j h ILE 151 Ca 0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 1n8j h ILE 151 Cb 0.32 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1n8j h ILE 151 CO 0.00 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.87 1n8j h LYS 152 N -0.52 1.03 -0.15 2.37 1.57 -1.19 0.23 116.57 119.91 1n8j h LYS 152 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1n8j h LYS 152 Cb 0.52 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1n8j h LYS 152 CO -0.13 0.68 0.09 0.00 -0.57 0.00 0.00 179.45 179.53 1n8j h ALA 153 N 1.50 0.20 -0.23 3.86 0.00 -0.50 0.39 119.26 124.47 1n8j h ALA 153 Ca 0.40 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1n8j h ALA 153 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1n8j h ALA 153 CO -0.15 -0.29 0.14 0.00 0.00 0.00 0.00 179.25 178.95 1n8j h ALA 154 N 1.01 0.29 -0.30 0.00 0.00 0.74 -1.19 119.26 119.81 1n8j h ALA 154 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1n8j h ALA 154 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n8j h ALA 154 CO -0.01 -0.25 0.10 1.96 0.00 0.00 0.00 179.25 181.05 1n8j h GLN 155 N 0.29 0.43 -0.12 0.00 4.20 -0.38 -1.10 115.11 118.43 1n8j h GLN 155 Ca 0.09 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1n8j h GLN 155 Cb -0.02 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1n8j h GLN 155 CO -0.03 0.38 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.58 1n8j h TYR 156 N 0.43 0.24 -0.05 2.96 3.20 -0.19 -1.55 116.97 122.00 1n8j h TYR 156 Ca 0.10 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1n8j h TYR 156 Cb 0.13 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1n8j h TYR 156 CO 0.00 0.47 -0.17 -0.39 -1.64 0.00 0.00 178.16 176.43 1n8j h VAL 157 N -0.06 1.15 -0.14 1.81 -1.51 -0.75 -0.96 116.25 115.78 1n8j h VAL 157 Ca 0.03 -0.68 -0.17 0.00 -1.23 0.00 0.00 66.70 64.66 1n8j h VAL 157 Cb 0.38 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1n8j h VAL 157 CO 0.01 0.20 -0.62 0.00 -1.23 0.00 0.00 177.57 175.93 1n8j h ALA 158 N 1.76 0.67 0.00 5.19 0.00 -1.04 -3.15 119.26 122.69 1n8j h ALA 158 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n8j h ALA 158 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n8j h ALA 158 CO 0.02 0.71 -0.22 0.00 0.00 0.00 0.00 179.25 179.76 1n8j n ALA 159 N -2.51 2.54 -3.55 0.00 0.00 -0.60 -4.46 120.51 111.92 1n8j n ALA 159 Ca -0.04 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1n8j n ALA 159 Cb 0.64 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.15 0.71 -1.75 0.00 -0.00 -0.43 -5.09 115.22 106.52 1n8j n HIS 160 Ca 0.05 -3.70 -0.42 0.00 -0.00 0.00 0.00 57.72 53.65 1n8j n HIS 160 Cb 0.43 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.99 30.30 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 2.36 2.58 0.00 -0.41 -0.02 -1.25 -2.08 135.00 136.19 1n8j n PRO 161 Ca 0.26 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1n8j n PRO 161 Cb 0.44 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 1.06 0.09 3.37 -1.23 0.00 -1.26 -5.06 105.19 102.16 1n8j n GLY 162 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.96 1.65 0.15 1.61 2.02 -0.88 -3.73 118.70 118.56 1n8j s GLU 163 Ca 0.00 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 53.85 1n8j s GLU 163 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1n8j s GLU 163 CO 0.00 0.49 -0.15 0.14 0.02 0.00 0.00 175.26 175.76 1n8j s VAL 164 N -0.91 1.49 -0.30 2.63 -7.23 -0.45 -4.76 120.40 110.88 1n8j s VAL 164 Ca 0.13 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1n8j s VAL 164 Cb -0.10 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1n8j s VAL 164 CO 0.04 -0.47 0.19 0.00 -0.31 0.00 0.00 175.10 174.55 1n8j s PRO 166 N 1.73 -1.64 0.30 0.00 0.04 -1.26 -4.85 135.00 129.32 1n8j s PRO 166 Ca 0.07 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 60.92 1n8j s PRO 166 Cb -0.16 -1.53 -0.13 0.00 0.04 0.00 0.00 34.50 32.72 1n8j s PRO 166 CO 0.10 -4.02 1.27 0.00 0.04 0.00 0.00 177.00 174.39 1n8j n ALA 167 N -5.01 0.97 -1.66 8.56 0.00 -1.26 -2.12 120.51 119.99 1n8j n ALA 167 Ca 0.12 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.75 1n8j n ALA 167 Cb 0.59 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 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 0.99 -1.34 -1.87 0.00 5.02 -1.26 -4.94 118.16 114.75 1n8j n LYS 168 Ca 0.07 1.14 -0.40 0.00 -2.02 0.00 0.00 58.31 57.10 1n8j n LYS 168 Cb 0.34 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 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 -2.73 2.62 0.03 2.13 -0.00 -0.90 -5.03 118.94 115.05 1n8j s TRP 169 Ca 0.00 1.26 0.01 0.00 -0.00 0.00 0.00 56.10 57.37 1n8j s TRP 169 Cb 0.00 -3.90 -0.02 0.00 -0.00 0.00 0.00 33.47 29.55 1n8j s TRP 169 CO 0.00 -2.73 -0.06 0.15 -0.00 0.00 0.00 176.95 174.32 1n8j s LYS 170 N -2.21 0.41 0.20 5.86 1.02 -1.26 -4.93 119.74 118.83 1n8j s LYS 170 Ca 0.56 -0.59 -0.32 0.00 0.02 0.00 0.00 55.97 55.64 1n8j s LYS 170 Cb -0.44 -0.17 -0.15 0.00 -0.52 0.00 0.00 37.83 36.55 1n8j s LYS 170 CO 0.58 0.03 1.12 0.39 -0.92 0.00 0.00 175.35 176.54 1n8j n GLU 171 N 1.80 1.18 0.00 1.68 1.02 -1.26 -1.57 120.64 123.49 1n8j n GLU 171 Ca -0.21 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1n8j n GLU 171 Cb 0.56 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 172 N 1.85 0.83 3.95 0.62 0.00 -1.26 -5.06 105.19 106.11 1n8j n GLY 172 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.94 3.47 0.64 1.61 2.02 -0.61 -5.07 118.70 119.84 1n8j s GLU 173 Ca 0.00 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.28 1n8j s GLU 173 Cb 0.00 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 1n8j s GLU 173 CO 0.00 0.40 1.24 0.00 0.02 0.00 0.00 175.26 176.92 1n8j n ALA 174 N -1.03 0.98 -2.65 5.21 0.00 -1.26 -4.91 120.51 116.84 1n8j n ALA 174 Ca -0.07 -0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1n8j n ALA 174 Cb 0.55 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 1n8j n ALA 174 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n8j s THR 175 N -1.41 1.44 0.10 0.00 -4.23 -1.26 -4.73 115.64 105.54 1n8j s THR 175 Ca 0.82 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 1n8j s THR 175 Cb -0.38 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1n8j s THR 175 CO 0.41 0.00 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.69 1n8j s LEU 176 N -3.93 3.29 -0.47 4.79 1.43 -0.68 -4.96 118.68 118.15 1n8j s LEU 176 Ca 0.17 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1n8j s LEU 176 Cb 0.02 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.32 1n8j s LEU 176 CO 0.09 0.17 0.20 0.00 0.23 0.00 0.00 176.35 177.05 1n8j s ALA 177 N -1.30 3.14 -0.04 4.21 0.00 -1.26 -1.34 121.76 125.17 1n8j s ALA 177 Ca 0.24 -3.05 -0.38 0.00 0.00 0.00 0.00 51.96 48.78 1n8j s ALA 177 Cb -0.11 -2.09 -0.16 0.00 0.00 0.00 0.00 23.12 20.75 1n8j s ALA 177 CO 0.17 -1.93 1.51 -2.30 0.00 0.00 0.00 175.76 173.20 1n8j n PRO 178 N 3.43 1.22 -4.04 0.00 -0.02 -1.24 -4.93 135.00 129.41 1n8j n PRO 178 Ca 0.05 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 1n8j n PRO 178 Cb 0.35 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N 1.69 0.47 0.16 2.55 1.04 -1.26 -5.05 113.70 113.30 1n8j s SER 179 Ca 0.89 -1.28 0.07 0.00 0.48 0.00 0.00 55.95 56.12 1n8j s SER 179 Cb -0.98 0.64 -0.07 0.00 0.10 0.00 0.00 66.02 65.71 1n8j s SER 179 CO 0.53 -1.25 1.35 0.25 0.98 0.00 0.00 173.24 175.11 1n8j h LEU 180 N 2.18 0.04 -0.94 2.42 6.46 -1.98 -3.25 115.31 120.25 1n8j h LEU 180 Ca -0.28 -0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.33 1n8j h LEU 180 Cb 1.24 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1n8j h LEU 180 CO 0.39 0.93 -0.50 -0.78 -0.62 0.00 0.00 178.44 177.86 1n8j h ASP 181 N 0.01 0.07 1.05 1.25 1.82 -1.97 -2.98 116.42 115.67 1n8j h ASP 181 Ca -0.02 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1n8j h ASP 181 Cb 1.61 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 1n8j h ASP 181 CO 0.12 0.57 -0.21 -0.07 -1.61 0.00 0.00 179.24 178.04 1n8j h LEU 182 N 0.05 0.00 -9.32 2.28 3.38 -1.91 -3.41 115.31 106.37 1n8j h LEU 182 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1n8j h LEU 182 Cb 0.91 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.69 1n8j h LEU 182 CO 0.07 0.21 1.02 0.52 0.09 0.00 0.00 178.44 180.35 1n8j n VAL 183 N -3.33 0.44 0.00 1.22 0.31 -1.13 -0.85 118.33 115.00 1n8j n VAL 183 Ca 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1n8j n VAL 183 Cb 0.45 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 4.16 2.98 0.09 2.92 0.00 -1.26 -4.86 105.19 109.23 1n8j n GLY 184 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1n8j n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j h LYS 185 N 1.40 0.09 0.00 1.61 1.57 -1.23 -3.55 116.57 116.46 1n8j h LYS 185 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1n8j h LYS 185 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1n8j h LYS 185 CO 0.00 0.96 0.00 -0.89 -0.57 0.00 0.00 179.45 178.95