#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 3.16 -4.64 2.46 4.77 -1.26 -4.99 117.00 116.50 1n8j n LEU 2 Ca 0.00 -1.31 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 1n8j n LEU 2 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1n8j n LEU 2 CO 0.00 0.63 0.71 0.00 -1.33 0.00 0.00 177.39 177.40 1n8j n ILE 3 N 1.33 2.28 -1.43 -0.08 0.13 -1.26 -1.75 119.36 118.57 1n8j n ILE 3 Ca 0.16 -0.50 -0.15 0.00 -1.10 0.00 0.00 62.75 61.16 1n8j n ILE 3 Cb 0.57 -1.30 -0.06 0.00 -0.84 0.00 0.00 39.64 38.01 1n8j n ILE 3 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1n8j n ASN 4 N 0.65 -5.31 -4.70 9.51 4.05 0.01 -4.96 115.26 114.50 1n8j n ASN 4 Ca 0.08 0.36 -0.23 0.00 0.45 0.00 0.00 54.58 55.24 1n8j n ASN 4 Cb 0.37 -4.10 -0.07 0.00 1.23 0.00 0.00 39.78 37.21 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 -2.36 3.35 0.23 -0.44 -4.23 -0.72 -4.80 115.64 106.67 1n8j s THR 5 Ca 0.00 -1.78 -0.23 0.00 -1.18 0.00 0.00 61.69 58.51 1n8j s THR 5 Cb 0.00 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.80 1n8j s THR 5 CO 0.00 -0.29 0.79 -0.75 -0.54 0.00 0.00 174.62 173.83 1n8j s LYS 6 N -3.76 4.42 0.22 3.99 2.20 -1.26 -1.40 119.74 124.15 1n8j s LYS 6 Ca 0.34 1.06 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 1n8j s LYS 6 Cb -0.05 -2.96 -0.08 0.00 -1.51 0.00 0.00 37.83 33.22 1n8j s LYS 6 CO 0.21 0.41 1.12 0.96 -0.36 0.00 0.00 175.35 177.70 1n8j s ILE 7 N -1.44 3.66 0.56 5.43 -4.36 0.15 -4.97 121.20 120.23 1n8j s ILE 7 Ca 0.43 1.51 -0.16 0.00 -0.26 0.00 0.00 60.65 62.17 1n8j s ILE 7 Cb -0.19 -3.97 -0.05 0.00 1.25 0.00 0.00 42.46 39.50 1n8j s ILE 7 CO 0.23 0.30 1.03 -0.54 0.24 0.00 0.00 174.94 176.20 1n8j s LYS 8 N -0.79 3.60 0.78 0.37 1.02 -1.26 -5.01 119.74 118.44 1n8j s LYS 8 Ca 0.48 1.08 -0.14 0.00 0.02 0.00 0.00 55.97 57.41 1n8j s LYS 8 Cb -0.31 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 34.99 1n8j s LYS 8 CO 0.38 -0.57 1.22 -1.25 -0.92 0.00 0.00 175.35 174.20 1n8j s PRO 9 N -4.11 1.76 0.04 -1.68 0.04 -1.26 -4.88 135.00 124.91 1n8j s PRO 9 Ca 0.61 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 63.18 1n8j s PRO 9 Cb -0.13 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1n8j s PRO 9 CO 0.35 -2.13 0.74 -0.59 0.04 0.00 0.00 177.00 175.41 1n8j s PHE 10 N -2.04 -0.49 -0.22 0.56 -0.12 -1.26 -4.97 117.98 109.44 1n8j s PHE 10 Ca 0.74 0.48 -0.04 0.00 -0.05 0.00 0.00 56.93 58.07 1n8j s PHE 10 Cb -0.30 0.51 0.09 0.00 -0.63 0.00 0.00 43.02 42.70 1n8j s PHE 10 CO 0.49 -0.66 0.18 0.21 -0.05 0.00 0.00 175.22 175.39 1n8j s LYS 11 N -2.81 0.18 0.34 1.99 2.20 -1.26 -3.28 119.74 117.10 1n8j s LYS 11 Ca -0.00 -0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1n8j s LYS 11 Cb -0.01 -1.28 -0.06 0.00 -1.51 0.00 0.00 37.83 34.97 1n8j s LYS 11 CO -0.06 -0.77 0.07 -0.80 -0.36 0.00 0.00 175.35 173.42 1n8j s ASN 12 N 2.25 2.41 -0.03 1.43 -0.87 -0.58 -4.98 114.94 114.56 1n8j s ASN 12 Ca 0.06 -1.42 -0.02 0.00 -1.57 0.00 0.00 52.86 49.92 1n8j s ASN 12 Cb -0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 41.25 41.04 1n8j s ASN 12 CO -0.18 -0.65 0.10 -1.10 -2.57 0.00 0.00 177.10 172.69 1n8j s GLN 13 N -3.88 3.17 0.05 -0.60 -1.52 -1.26 -1.05 119.66 114.58 1n8j s GLN 13 Ca 0.35 -0.40 -0.07 0.00 -1.95 0.00 0.00 55.36 53.28 1n8j s GLN 13 Cb 0.08 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.92 1n8j s GLN 13 CO 0.15 0.68 0.14 0.00 -0.25 0.00 0.00 175.29 176.00 1n8j s ALA 14 N -1.16 -0.13 -0.21 6.09 0.00 0.03 -1.05 121.76 125.32 1n8j s ALA 14 Ca 0.22 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 1n8j s ALA 14 Cb -0.12 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1n8j s ALA 14 CO 0.12 -0.39 0.03 0.12 0.00 0.00 0.00 175.76 175.64 1n8j s PHE 15 N -3.11 3.09 -0.22 0.00 5.36 -0.14 -0.94 117.98 122.03 1n8j s PHE 15 Ca -0.01 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.60 1n8j s PHE 15 Cb 0.02 -2.11 0.09 0.00 -0.34 0.00 0.00 43.02 40.68 1n8j s PHE 15 CO -0.07 -0.18 0.20 0.21 -1.46 0.00 0.00 175.22 173.93 1n8j s LYS 16 N 0.99 0.19 -0.85 10.12 2.20 -0.01 -0.51 119.74 131.87 1n8j s LYS 16 Ca 0.03 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 1n8j s LYS 16 Cb -0.14 -1.23 -0.01 0.00 -1.51 0.00 0.00 37.83 34.93 1n8j s LYS 16 CO 0.02 -0.73 0.72 0.09 -0.36 0.00 0.00 175.35 175.09 1n8j n ASN 17 N 5.31 -6.73 -3.80 1.43 3.02 -1.26 -3.38 115.26 109.85 1n8j n ASN 17 Ca -0.05 -0.47 -0.28 0.00 -0.03 0.00 0.00 54.58 53.76 1n8j n ASN 17 Cb 0.48 -4.31 0.04 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.66 -0.50 3.60 7.41 0.00 -1.26 -4.98 105.19 107.80 1n8j n GLY 18 Ca -0.09 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.47 0.64 -0.01 1.61 -1.05 -1.22 -5.15 118.70 107.06 1n8j s GLU 19 Ca 0.59 0.45 -0.15 0.00 -0.15 0.00 0.00 54.97 55.70 1n8j s GLU 19 Cb -0.28 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.66 1n8j s GLU 19 CO 0.80 -0.14 0.42 -0.06 0.95 0.00 0.00 175.26 177.23 1n8j s PHE 20 N -0.39 3.71 0.22 4.83 0.08 -1.26 -0.83 117.98 124.35 1n8j s PHE 20 Ca -0.01 0.99 -0.04 0.00 0.12 0.00 0.00 56.93 58.00 1n8j s PHE 20 Cb -0.03 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.07 1n8j s PHE 20 CO -0.01 0.59 0.24 0.96 -0.10 0.00 0.00 175.22 176.91 1n8j s ILE 21 N -0.90 0.00 -0.19 0.64 -4.36 -0.12 -4.98 121.20 111.29 1n8j s ILE 21 Ca 0.24 -1.82 -0.03 0.00 -0.26 0.00 0.00 60.65 58.78 1n8j s ILE 21 Cb -0.17 -2.42 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1n8j s ILE 21 CO 0.13 0.00 -0.05 -0.70 0.24 0.00 0.00 174.94 174.56 1n8j s GLU 22 N -4.07 3.45 -0.08 0.37 2.12 -1.26 -0.79 118.70 118.44 1n8j s GLU 22 Ca 0.34 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1n8j s GLU 22 Cb 0.04 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 1n8j s GLU 22 CO 0.12 -0.03 -0.06 0.08 -0.54 0.00 0.00 175.26 174.83 1n8j s VAL 23 N 1.03 3.73 0.24 3.70 1.01 -0.21 -4.97 120.40 124.93 1n8j s VAL 23 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1n8j s VAL 23 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1n8j s VAL 23 CO 0.00 0.58 0.16 0.35 0.00 0.00 0.00 175.10 176.20 1n8j n THR 24 N 2.45 0.00 -0.02 3.92 -2.24 -1.26 -1.53 114.28 115.61 1n8j n THR 24 Ca -0.18 -1.65 -0.01 0.00 -2.27 0.00 0.00 64.05 59.94 1n8j n THR 24 Cb 0.53 0.76 0.27 0.00 -2.10 0.00 0.00 70.33 69.79 1n8j n THR 24 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1n8j h GLU 25 N 0.00 0.56 -1.00 -0.78 9.09 -1.89 -2.64 114.58 117.92 1n8j h GLU 25 Ca -0.18 -0.13 0.23 0.00 0.05 0.00 0.00 59.36 59.34 1n8j h GLU 25 Cb 0.82 -0.08 -0.10 0.00 -1.65 0.00 0.00 28.75 27.75 1n8j h GLU 25 CO 0.27 0.60 0.63 0.87 0.05 0.00 0.00 179.01 181.42 1n8j h LYS 26 N 0.54 0.51 0.00 1.06 6.56 -1.96 -0.12 116.57 123.16 1n8j h LYS 26 Ca 0.11 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1n8j h LYS 26 Cb 0.36 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1n8j h LYS 26 CO 0.01 0.34 0.00 -0.44 -2.06 0.00 0.00 179.45 177.30 1n8j h ASP 27 N 0.53 0.00 0.99 0.86 3.32 -1.88 -2.95 116.42 117.29 1n8j h ASP 27 Ca 0.58 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.61 1n8j h ASP 27 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1n8j h ASP 27 CO -0.33 0.00 -1.01 0.71 -1.72 0.00 0.00 179.24 176.89 1n8j h THR 28 N 0.00 0.04 -2.52 0.35 1.35 -1.14 -3.45 112.91 107.54 1n8j h THR 28 Ca 0.00 -1.08 -0.53 0.00 -0.55 0.00 0.00 66.41 64.25 1n8j h THR 28 Cb 0.61 1.55 0.04 0.00 -1.73 0.00 0.00 68.15 68.62 1n8j h THR 28 CO 0.00 0.02 1.12 -1.61 -0.25 0.00 0.00 175.52 174.81 1n8j s GLU 29 N -3.33 4.14 0.00 4.72 2.02 -1.05 -1.90 118.70 123.30 1n8j s GLU 29 Ca -0.01 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.59 1n8j s GLU 29 Cb 0.09 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.68 1n8j s GLU 29 CO 0.79 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1n8j n GLY 30 N 4.26 1.35 3.37 -1.39 0.00 -0.72 -5.03 105.19 107.04 1n8j n GLY 30 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1n8j n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j s ARG 31 N -0.55 1.40 0.04 1.61 0.52 -0.80 -4.79 118.95 116.39 1n8j s ARG 31 Ca 0.00 -1.67 -0.24 0.00 -0.52 0.00 0.00 55.73 53.30 1n8j s ARG 31 Cb 0.00 -1.02 -0.06 0.00 0.52 0.00 0.00 34.95 34.39 1n8j s ARG 31 CO 0.00 0.08 0.73 -1.58 0.02 0.00 0.00 175.30 174.55 1n8j s TRP 32 N -3.08 3.73 0.19 -0.53 0.52 -1.15 -3.07 118.94 115.55 1n8j s TRP 32 Ca 0.26 1.43 0.08 0.00 0.02 0.00 0.00 56.10 57.89 1n8j s TRP 32 Cb 0.02 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1n8j s TRP 32 CO 0.09 0.30 -0.17 -1.12 0.02 0.00 0.00 176.95 176.06 1n8j s SER 33 N -0.12 2.70 -0.10 2.95 0.01 0.11 -0.86 113.70 118.38 1n8j s SER 33 Ca 0.37 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 1n8j s SER 33 Cb -0.20 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 65.90 1n8j s SER 33 CO 0.22 -0.08 -0.03 -0.69 0.41 0.00 0.00 173.24 173.08 1n8j s VAL 34 N -2.39 0.67 -0.41 3.43 1.01 -0.26 -0.27 120.40 122.18 1n8j s VAL 34 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1n8j s VAL 34 Cb -0.04 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.59 1n8j s VAL 34 CO 0.07 0.26 0.27 -0.36 0.00 0.00 0.00 175.10 175.34 1n8j s PHE 35 N 1.85 3.27 -0.47 5.22 0.40 -0.14 -1.37 117.98 126.74 1n8j s PHE 35 Ca 0.04 -1.10 -0.14 0.00 -0.60 0.00 0.00 56.93 55.14 1n8j s PHE 35 Cb -0.13 -2.75 0.08 0.00 0.51 0.00 0.00 43.02 40.73 1n8j s PHE 35 CO -0.07 -0.73 0.38 0.12 0.70 0.00 0.00 175.22 175.61 1n8j s PHE 36 N 1.54 3.27 0.02 0.36 5.36 0.06 -1.52 117.98 127.08 1n8j s PHE 36 Ca 0.03 -1.14 -0.11 0.00 -0.96 0.00 0.00 56.93 54.75 1n8j s PHE 36 Cb -0.21 -3.21 -0.05 0.00 -0.34 0.00 0.00 43.02 39.20 1n8j s PHE 36 CO 0.06 -0.84 0.36 -0.06 -1.46 0.00 0.00 175.22 173.28 1n8j s PHE 37 N 1.58 3.64 0.01 10.12 0.40 -0.20 0.06 117.98 133.58 1n8j s PHE 37 Ca 0.04 0.82 -0.08 0.00 -0.60 0.00 0.00 56.93 57.11 1n8j s PHE 37 Cb -0.25 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.11 1n8j s PHE 37 CO 0.05 0.60 0.15 1.52 0.70 0.00 0.00 175.22 178.24 1n8j s TYR 38 N -1.22 0.04 0.04 0.36 -0.85 -0.28 -3.09 117.35 112.35 1n8j s TYR 38 Ca 0.27 -0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.54 1n8j s TYR 38 Cb -0.15 -0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.09 1n8j s TYR 38 CO 0.15 -0.31 1.22 -1.35 -1.52 0.00 0.00 175.55 173.73 1n8j h PRO 39 N 4.15 -0.29 -2.57 -3.49 0.11 -1.79 -3.39 132.00 124.73 1n8j h PRO 39 Ca -0.31 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1n8j h PRO 39 Cb 1.19 0.07 -0.18 0.00 0.11 0.00 0.00 31.00 32.18 1n8j h PRO 39 CO 0.42 -0.20 -0.01 0.00 -0.21 0.00 0.00 178.00 178.00 1n8j s ALA 40 N -4.34 -1.31 0.98 -0.75 0.00 -1.26 -4.20 121.76 110.88 1n8j s ALA 40 Ca -0.06 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1n8j s ALA 40 Cb 0.02 0.14 0.18 0.00 0.00 0.00 0.00 23.12 23.46 1n8j s ALA 40 CO 0.24 -0.38 1.10 -0.51 0.00 0.00 0.00 175.76 176.21 1n8j s ASP 41 N -1.48 2.50 -1.27 0.00 1.11 -1.26 -3.60 116.67 112.67 1n8j s ASP 41 Ca -0.10 1.85 -0.03 0.00 0.18 0.00 0.00 52.55 54.44 1n8j s ASP 41 Cb -0.02 -2.42 0.02 0.00 1.07 0.00 0.00 42.92 41.57 1n8j s ASP 41 CO 0.05 -3.31 0.24 0.49 1.18 0.00 0.00 175.17 173.82 1n8j n PHE 42 N -4.35 -1.58 -3.38 4.23 3.01 -1.26 -4.97 117.46 109.16 1n8j n PHE 42 Ca 0.08 0.22 -0.05 0.00 1.01 0.00 0.00 57.45 58.72 1n8j n PHE 42 Cb 0.53 -3.22 0.01 0.00 -0.01 0.00 0.00 39.48 36.79 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 -3.79 0.00 -0.05 4.37 -2.24 -1.24 -5.11 114.28 106.22 1n8j n THR 43 Ca -0.11 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 1n8j n THR 43 Cb 0.60 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1n8j n THR 43 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1n8j h PHE 44 N 0.35 0.00 -0.14 4.78 0.04 -1.93 -3.39 116.94 116.65 1n8j h PHE 44 Ca -0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1n8j h PHE 44 Cb 0.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1n8j h PHE 44 CO 0.00 0.00 -0.05 0.28 -0.60 0.00 0.00 178.31 177.94 1n8j h VAL 45 N -0.75 1.30 -0.96 -0.55 2.07 -1.97 -3.31 116.25 112.09 1n8j h VAL 45 Ca 0.00 -1.03 0.25 0.00 0.82 0.00 0.00 66.70 66.75 1n8j h VAL 45 Cb 0.30 1.69 -0.13 0.00 -1.52 0.00 0.00 31.29 31.63 1n8j h VAL 45 CO 0.00 0.30 0.49 0.28 0.02 0.00 0.00 177.57 178.66 1n8j h SER 46 N -0.04 0.46 0.36 0.57 0.02 -1.90 -2.27 113.55 110.74 1n8j h SER 46 Ca 0.03 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1n8j h SER 46 Cb 0.49 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1n8j h SER 46 CO 0.02 -0.01 -0.38 -0.65 -1.14 0.00 0.00 176.83 174.66 1n8j h PRO 47 N 0.42 -0.74 -0.86 3.45 0.11 -1.76 0.00 132.00 132.63 1n8j h PRO 47 Ca 0.63 0.05 0.14 0.00 0.11 0.00 0.00 66.00 66.92 1n8j h PRO 47 Cb 1.27 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.48 1n8j h PRO 47 CO -0.54 -0.49 0.56 1.79 -0.21 0.00 0.00 178.00 179.10 1n8j h THR 48 N -0.76 0.85 -0.09 -1.15 1.35 -1.59 0.44 112.91 111.96 1n8j h THR 48 Ca -0.02 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1n8j h THR 48 Cb 0.69 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1n8j h THR 48 CO -0.08 0.12 -0.07 -0.33 -0.25 0.00 0.00 175.52 174.91 1n8j h GLU 49 N 0.67 0.21 0.00 4.72 5.08 -1.13 0.79 114.58 124.92 1n8j h GLU 49 Ca 0.42 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1n8j h GLU 49 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1n8j h GLU 49 CO -0.18 0.61 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.07 1n8j h LEU 50 N -0.20 0.00 -0.09 1.33 3.38 -0.21 -2.18 115.31 117.34 1n8j h LEU 50 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1n8j h LEU 50 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1n8j h LEU 50 CO 0.02 0.30 -0.18 1.23 0.09 0.00 0.00 178.44 179.90 1n8j h GLY 51 N 0.91 0.30 0.60 0.83 0.00 -0.00 -1.56 103.07 104.14 1n8j h GLY 51 Ca -0.00 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.06 1n8j h GLY 51 CO 0.04 0.32 0.51 -1.80 0.00 0.00 0.00 176.54 175.60 1n8j h ASP 52 N -0.19 0.76 -0.47 0.19 -0.00 -0.60 -0.93 116.42 115.16 1n8j h ASP 52 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 57.03 56.97 1n8j h ASP 52 Cb 0.76 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.96 1n8j h ASP 52 CO 0.04 0.45 -0.07 0.58 -0.00 0.00 0.00 179.24 180.24 1n8j h VAL 53 N 0.88 1.26 -0.73 2.25 2.07 -1.37 -2.69 116.25 117.93 1n8j h VAL 53 Ca 0.39 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1n8j h VAL 53 Cb 0.29 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1n8j h VAL 53 CO -0.22 0.42 0.47 0.00 0.02 0.00 0.00 177.57 178.26 1n8j h ALA 54 N 1.07 1.46 -0.31 1.67 0.00 -0.15 -1.69 119.26 121.30 1n8j h ALA 54 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1n8j h ALA 54 Cb 0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1n8j h ALA 54 CO 0.04 0.49 0.05 -0.44 0.00 0.00 0.00 179.25 179.39 1n8j h ASP 55 N 0.99 0.41 -0.05 0.00 3.32 -0.94 -2.37 116.42 117.78 1n8j h ASP 55 Ca 0.26 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1n8j h ASP 55 Cb -0.09 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1n8j h ASP 55 CO -0.06 0.45 0.00 1.41 -1.72 0.00 0.00 179.24 179.32 1n8j n HIS 56 N -4.34 0.05 -0.16 4.55 8.25 -0.71 -4.38 115.22 118.48 1n8j n HIS 56 Ca 0.01 -0.02 0.18 0.00 -0.26 0.00 0.00 57.72 57.63 1n8j n HIS 56 Cb 0.19 0.00 0.55 0.00 1.12 0.00 0.00 29.99 31.85 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 2.84 0.39 0.82 4.41 3.20 -0.81 -0.64 116.97 127.18 1n8j h TYR 57 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1n8j h TYR 57 Cb 0.61 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.76 1n8j h TYR 57 CO 0.02 0.14 -0.40 0.93 -1.64 0.00 0.00 178.16 177.21 1n8j h GLU 58 N 0.32 -1.07 -0.97 1.82 4.39 -1.80 0.43 114.58 117.71 1n8j h GLU 58 Ca 0.38 0.07 0.13 0.00 0.34 0.00 0.00 59.36 60.28 1n8j h GLU 58 Cb 1.00 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 29.82 1n8j h GLU 58 CO -0.11 -0.70 0.61 1.49 -1.16 0.00 0.00 179.01 179.15 1n8j h GLU 59 N -1.23 0.88 -0.22 2.33 4.81 -1.68 -1.88 114.58 117.59 1n8j h GLU 59 Ca -0.11 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1n8j h GLU 59 Cb 0.86 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1n8j h GLU 59 CO 0.19 0.58 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.92 1n8j h LEU 60 N 0.90 0.43 -1.98 1.64 3.38 -1.02 -2.76 115.31 115.90 1n8j h LEU 60 Ca 0.48 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1n8j h LEU 60 Cb 0.56 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1n8j h LEU 60 CO -0.25 0.71 -0.06 1.56 0.09 0.00 0.00 178.44 180.48 1n8j h GLN 61 N 0.15 0.00 -0.02 1.13 1.08 -0.18 -0.09 115.11 117.18 1n8j h GLN 61 Ca 0.05 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.08 1n8j h GLN 61 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1n8j h GLN 61 CO 0.02 0.06 -0.76 0.87 -0.95 0.00 0.00 178.83 178.07 1n8j h LYS 62 N 0.00 0.15 -0.57 1.46 1.57 -1.24 -2.83 116.57 115.11 1n8j h LYS 62 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1n8j h LYS 62 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1n8j h LYS 62 CO 0.01 0.84 0.00 1.28 -0.57 0.00 0.00 179.45 181.01 1n8j n LEU 63 N -3.72 1.70 -2.64 2.94 4.77 -0.46 -4.86 117.00 114.74 1n8j n LEU 63 Ca -0.02 -0.86 -0.21 0.00 -0.03 0.00 0.00 56.01 54.89 1n8j n LEU 63 Cb 0.73 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1n8j n LEU 63 CO 0.46 0.31 -0.08 0.61 -1.33 0.00 0.00 177.39 177.35 1n8j n GLY 64 N 0.46 -0.44 3.33 -0.72 0.00 -1.07 -4.91 105.19 101.84 1n8j n GLY 64 Ca 0.07 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1n8j n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8j s VAL 65 N -3.09 3.58 0.11 1.61 1.01 -0.17 -2.94 120.40 120.51 1n8j s VAL 65 Ca 0.19 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1n8j s VAL 65 Cb -0.08 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 1n8j s VAL 65 CO 0.24 0.35 0.50 -1.81 0.00 0.00 0.00 175.10 174.37 1n8j s ASP 66 N 1.50 6.78 -0.08 3.32 1.01 -0.04 -3.86 116.67 125.29 1n8j s ASP 66 Ca 0.05 1.00 0.04 0.00 0.71 0.00 0.00 52.55 54.35 1n8j s ASP 66 Cb -0.15 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.52 1n8j s ASP 66 CO -0.01 0.14 -0.22 -0.69 0.21 0.00 0.00 175.17 174.60 1n8j s VAL 67 N -1.41 1.87 -0.11 -1.27 1.01 -1.26 -1.10 120.40 118.14 1n8j s VAL 67 Ca 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1n8j s VAL 67 Cb -0.15 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1n8j s VAL 67 CO 0.18 0.52 -0.10 -0.31 0.00 0.00 0.00 175.10 175.40 1n8j s TYR 68 N 0.27 1.55 0.25 5.22 1.51 -0.47 -3.57 117.35 122.11 1n8j s TYR 68 Ca -0.14 -0.74 -0.10 0.00 -1.01 0.00 0.00 57.07 55.08 1n8j s TYR 68 Cb -0.16 -1.23 -0.07 0.00 -0.11 0.00 0.00 41.96 40.38 1n8j s TYR 68 CO 0.07 -0.47 0.58 -1.54 -1.11 0.00 0.00 175.55 173.07 1n8j s SER 69 N 1.42 6.62 -0.04 2.29 1.04 -1.02 -0.76 113.70 123.26 1n8j s SER 69 Ca 0.00 0.95 -0.02 0.00 0.48 0.00 0.00 55.95 57.36 1n8j s SER 69 Cb -0.13 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.77 1n8j s SER 69 CO -0.05 -0.11 0.10 -0.69 0.98 0.00 0.00 173.24 173.47 1n8j s VAL 70 N -1.87 -0.03 0.10 5.02 1.01 0.11 -0.88 120.40 123.84 1n8j s VAL 70 Ca 0.48 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1n8j s VAL 70 Cb -0.11 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1n8j s VAL 70 CO 0.22 0.05 0.29 -0.94 0.00 0.00 0.00 175.10 174.72 1n8j s SER 71 N 0.71 -0.06 0.00 3.32 1.04 -1.15 -1.12 113.70 116.44 1n8j s SER 71 Ca -0.06 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1n8j s SER 71 Cb -0.08 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1n8j s SER 71 CO -0.03 -0.76 0.75 0.35 0.98 0.00 0.00 173.24 174.53 1n8j n THR 72 N -0.02 0.00 -2.22 2.02 -2.24 -1.26 -0.31 114.28 110.25 1n8j n THR 72 Ca -0.16 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 1n8j n THR 72 Cb 0.62 -0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.72 5.20 0.66 3.42 1.01 -1.26 -3.68 116.67 121.29 1n8j s ASP 73 Ca 0.00 0.67 -0.06 0.00 0.71 0.00 0.00 52.55 53.87 1n8j s ASP 73 Cb 0.00 -1.47 0.04 0.00 1.01 0.00 0.00 42.92 42.50 1n8j s ASP 73 CO 0.00 -1.36 0.97 0.42 0.21 0.00 0.00 175.17 175.41 1n8j s THR 74 N -3.17 2.78 0.30 -1.27 -4.23 -1.26 -2.45 115.64 106.34 1n8j s THR 74 Ca 0.57 -0.16 0.30 0.00 -1.18 0.00 0.00 61.69 61.22 1n8j s THR 74 Cb -0.11 -3.17 0.32 0.00 1.34 0.00 0.00 72.50 70.88 1n8j s THR 74 CO 0.46 -0.18 2.02 1.12 -0.54 0.00 0.00 174.62 177.50 1n8j h HIS 75 N -0.44 0.00 -0.13 3.99 2.07 -1.88 -2.59 115.15 116.17 1n8j h HIS 75 Ca -0.45 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 1n8j h HIS 75 Cb 1.29 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.27 1n8j h HIS 75 CO 0.39 0.11 -0.01 0.74 -3.07 0.00 0.00 177.93 176.09 1n8j h PHE 76 N 0.00 0.26 -0.29 6.12 -1.00 -1.97 -2.46 116.94 117.60 1n8j h PHE 76 Ca -0.00 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 1n8j h PHE 76 Cb 0.45 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1n8j h PHE 76 CO 0.00 0.49 0.15 1.15 -1.61 0.00 0.00 178.31 178.49 1n8j h THR 77 N -0.05 1.09 -0.41 -1.55 2.02 -1.85 -2.26 112.91 109.91 1n8j h THR 77 Ca 0.04 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1n8j h THR 77 Cb 0.39 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1n8j h THR 77 CO 0.01 0.10 -0.03 0.45 0.37 0.00 0.00 175.52 176.42 1n8j h HIS 78 N 0.40 0.82 -0.57 3.16 3.86 -1.31 -1.27 115.15 120.23 1n8j h HIS 78 Ca 0.10 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1n8j h HIS 78 Cb 0.02 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1n8j h HIS 78 CO 0.00 0.83 0.29 -0.22 0.86 0.00 0.00 177.93 179.69 1n8j h LYS 79 N 0.57 0.81 -0.48 2.45 3.64 -0.96 -1.56 116.57 121.04 1n8j h LYS 79 Ca 0.11 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1n8j h LYS 79 Cb 0.53 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1n8j h LYS 79 CO 0.03 0.65 0.10 0.00 -2.27 0.00 0.00 179.45 177.96 1n8j h ALA 80 N 1.12 1.28 0.00 5.00 0.00 -1.30 -2.03 119.26 123.33 1n8j h ALA 80 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1n8j h ALA 80 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n8j h ALA 80 CO -0.03 0.50 -0.38 2.35 0.00 0.00 0.00 179.25 181.69 1n8j h TRP 81 N 0.71 0.00 -0.07 0.00 7.01 -0.77 -2.64 115.95 120.19 1n8j h TRP 81 Ca 0.16 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 61.00 1n8j h TRP 81 Cb 0.28 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1n8j h TRP 81 CO 0.01 0.38 -0.65 1.25 -2.79 0.00 0.00 178.44 176.64 1n8j h HIS 82 N 0.00 0.36 -0.00 2.65 2.76 -0.60 -2.71 115.15 117.61 1n8j h HIS 82 Ca -0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1n8j h HIS 82 Cb 0.85 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1n8j h HIS 82 CO 0.00 0.85 -0.16 0.43 -1.30 0.00 0.00 177.93 177.75 1n8j n SER 83 N -3.85 0.35 -0.01 3.26 7.64 -0.92 -3.95 113.62 116.15 1n8j n SER 83 Ca -0.03 -0.23 0.01 0.00 1.01 0.00 0.00 58.87 59.63 1n8j n SER 83 Cb 0.65 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 1n8j n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1n8j n SER 84 N -1.21 3.93 -4.52 6.43 3.41 -1.05 -5.01 113.62 115.60 1n8j n SER 84 Ca 0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.38 1n8j n SER 84 Cb 0.30 1.05 -0.12 0.00 -0.26 0.00 0.00 64.21 65.19 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 -2.81 4.80 0.06 4.04 0.15 -1.03 -5.02 113.70 113.90 1n8j s SER 85 Ca -0.02 -0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.31 1n8j s SER 85 Cb 0.03 -1.67 -0.15 0.00 -1.71 0.00 0.00 66.02 62.51 1n8j s SER 85 CO 0.19 0.21 1.58 -0.33 1.20 0.00 0.00 173.24 176.10 1n8j h GLU 86 N 6.38 0.08 -0.60 5.44 4.39 -1.89 -0.86 114.58 127.51 1n8j h GLU 86 Ca -0.35 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 1n8j h GLU 86 Cb 1.19 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1n8j h GLU 86 CO 0.61 0.23 0.22 1.79 -1.16 0.00 0.00 179.01 180.69 1n8j h THR 87 N -0.09 1.24 -0.13 1.13 1.35 -1.96 -2.32 112.91 112.13 1n8j h THR 87 Ca 0.02 -0.76 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 1n8j h THR 87 Cb 0.18 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1n8j h THR 87 CO -0.00 0.29 -0.24 0.40 -0.25 0.00 0.00 175.52 175.73 1n8j h ILE 88 N 0.85 1.23 -0.83 6.82 1.08 -1.85 -3.01 117.51 121.80 1n8j h ILE 88 Ca 0.20 -1.07 0.19 0.00 -0.39 0.00 0.00 64.86 63.79 1n8j h ILE 88 Cb 0.24 1.39 -0.06 0.00 -3.07 0.00 0.00 36.82 35.33 1n8j h ILE 88 CO -0.01 0.33 0.56 0.00 -0.69 0.00 0.00 178.15 178.33 1n8j h ALA 89 N 1.54 2.26 -0.08 1.87 0.00 -0.56 -1.25 119.26 123.04 1n8j h ALA 89 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n8j h ALA 89 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n8j h ALA 89 CO 0.04 -0.51 0.00 0.36 0.00 0.00 0.00 179.25 179.14 1n8j n LYS 90 N -4.47 1.23 -2.83 0.00 2.85 -1.14 -4.82 118.16 108.98 1n8j n LYS 90 Ca 0.17 -0.31 -0.42 0.00 -1.05 0.00 0.00 58.31 56.70 1n8j n LYS 90 Cb 0.66 -1.15 -0.04 0.00 -0.65 0.00 0.00 35.03 33.86 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 -1.78 4.72 -0.77 0.58 1.01 -0.48 -4.89 121.20 119.60 1n8j s ILE 91 Ca 0.06 1.47 0.12 0.00 0.00 0.00 0.00 60.65 62.30 1n8j s ILE 91 Cb 0.03 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1n8j s ILE 91 CO 0.03 -0.27 0.59 0.29 0.00 0.00 0.00 174.94 175.58 1n8j n LYS 92 N 6.35 2.63 -3.23 2.79 5.02 -1.26 -4.63 118.16 125.82 1n8j n LYS 92 Ca 0.07 -0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 1n8j n LYS 92 Cb 0.48 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.98 3.41 0.25 2.13 -0.85 -1.26 -4.56 117.35 114.50 1n8j s TYR 93 Ca 0.07 1.11 -0.31 0.00 -0.52 0.00 0.00 57.07 57.41 1n8j s TYR 93 Cb 0.10 -2.44 -0.12 0.00 0.38 0.00 0.00 41.96 39.87 1n8j s TYR 93 CO 0.44 0.18 1.56 0.00 -1.52 0.00 0.00 175.55 176.21 1n8j n ALA 94 N -0.18 2.07 -3.20 9.51 0.00 -1.23 -4.82 120.51 122.65 1n8j n ALA 94 Ca 0.02 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 1n8j n ALA 94 Cb 0.53 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1n8j n ALA 94 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1n8j s MET 95 N -0.08 2.65 -0.03 0.00 -1.94 0.33 -2.43 119.30 117.82 1n8j s MET 95 Ca 0.68 -1.40 -0.25 0.00 -1.71 0.00 0.00 55.69 53.02 1n8j s MET 95 Cb -0.56 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.46 1n8j s MET 95 CO 0.45 -0.92 0.76 0.42 -0.01 0.00 0.00 175.02 175.73 1n8j s ILE 96 N 1.45 4.94 -0.14 2.53 1.01 -0.06 -0.96 121.20 129.96 1n8j s ILE 96 Ca 0.03 1.59 -0.09 0.00 0.00 0.00 0.00 60.65 62.18 1n8j s ILE 96 Cb -0.22 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 1n8j s ILE 96 CO 0.03 0.27 0.17 -0.83 0.00 0.00 0.00 174.94 174.58 1n8j s GLY 97 N 0.61 2.15 -0.48 6.18 0.00 -0.22 -2.92 107.32 112.64 1n8j s GLY 97 Ca 0.40 -0.60 0.08 0.00 0.00 0.00 0.00 44.72 44.60 1n8j s GLY 97 CO 0.21 -0.08 0.75 1.34 0.00 0.00 0.00 173.10 175.32 1n8j n ASP 98 N 2.66 2.24 0.03 1.64 2.03 0.58 -4.17 116.55 121.55 1n8j n ASP 98 Ca -0.17 -3.21 0.09 0.00 0.52 0.00 0.00 54.79 52.02 1n8j n ASP 98 Cb 0.53 -0.62 0.52 0.00 -0.72 0.00 0.00 41.12 40.84 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 3.42 0.33 0.00 -0.67 0.13 -1.71 -1.49 132.00 132.02 1n8j h PRO 99 Ca 0.12 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1n8j h PRO 99 Cb 0.76 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1n8j h PRO 99 CO 0.64 0.22 -0.09 1.79 -0.23 0.00 0.00 178.00 180.33 1n8j h THR 100 N 0.34 0.15 0.00 1.56 1.35 -1.92 -3.47 112.91 110.92 1n8j h THR 100 Ca 0.17 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1n8j h THR 100 Cb 0.25 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1n8j h THR 100 CO -0.04 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1n8j n GLY 101 N 1.05 1.61 0.21 5.82 0.00 -0.56 -4.93 105.19 108.40 1n8j n GLY 101 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.16 -0.88 4.61 0.00 -1.91 0.16 119.26 121.39 1n8j h ALA 102 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n8j h ALA 102 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1n8j h ALA 102 CO 0.00 -0.52 0.47 1.25 0.00 0.00 0.00 179.25 180.45 1n8j h LEU 103 N -0.08 1.11 -0.77 0.00 6.46 -1.91 -1.03 115.31 119.10 1n8j h LEU 103 Ca 0.19 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 1n8j h LEU 103 Cb 0.36 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1n8j h LEU 103 CO -0.43 0.90 -0.16 0.74 -0.62 0.00 0.00 178.44 178.87 1n8j h THR 104 N 1.24 1.26 -0.09 1.05 2.02 -1.67 -3.05 112.91 113.68 1n8j h THR 104 Ca 0.31 -1.24 -0.17 0.00 0.77 0.00 0.00 66.41 66.09 1n8j h THR 104 Cb 0.05 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1n8j h THR 104 CO -0.05 0.42 -0.65 0.03 0.37 0.00 0.00 175.52 175.64 1n8j h ARG 105 N 0.68 0.36 -0.20 6.66 3.08 -0.24 -0.23 114.38 124.50 1n8j h ARG 105 Ca 0.11 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.91 1n8j h ARG 105 Cb 0.65 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1n8j h ARG 105 CO 0.05 0.89 0.13 -0.91 -1.07 0.00 0.00 179.97 179.06 1n8j h ASN 106 N 0.26 0.15 -0.57 7.04 2.35 -1.10 0.23 115.58 123.95 1n8j h ASN 106 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n8j h ASN 106 Cb 1.19 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1n8j h ASN 106 CO 0.11 0.11 0.00 0.49 -1.65 0.00 0.00 177.43 176.49 1n8j n PHE 107 N -4.50 0.85 -4.13 1.19 3.72 -1.06 -4.87 117.46 108.66 1n8j n PHE 107 Ca 0.01 -0.40 -0.32 0.00 -0.05 0.00 0.00 57.45 56.69 1n8j n PHE 107 Cb 0.14 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.13 -0.58 -0.11 4.37 2.03 0.81 -4.86 116.55 119.34 1n8j n ASP 108 Ca 0.20 -1.18 0.06 0.00 0.52 0.00 0.00 54.79 54.39 1n8j n ASP 108 Cb 0.53 -2.19 0.08 0.00 -0.72 0.00 0.00 41.12 38.83 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.80 1.86 -4.79 1.67 4.05 -0.13 -5.02 115.26 110.09 1n8j n ASN 109 Ca -0.28 -2.61 -0.38 0.00 0.45 0.00 0.00 54.58 51.76 1n8j n ASN 109 Cb 0.67 -0.29 -0.06 0.00 1.23 0.00 0.00 39.78 41.33 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -1.96 4.15 -0.66 1.20 1.75 -1.25 -0.72 119.30 121.80 1n8j s MET 110 Ca 0.19 0.55 -0.20 0.00 -1.25 0.00 0.00 55.69 54.99 1n8j s MET 110 Cb 0.17 -3.30 0.10 0.00 2.84 0.00 0.00 34.83 34.64 1n8j s MET 110 CO 0.02 0.50 0.86 1.03 -0.65 0.00 0.00 175.02 176.78 1n8j s ARG 111 N -0.54 3.15 0.18 4.11 0.52 0.53 -4.91 118.95 121.98 1n8j s ARG 111 Ca 0.27 -1.21 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 1n8j s ARG 111 Cb -0.17 -4.33 0.12 0.00 0.52 0.00 0.00 34.95 31.08 1n8j s ARG 111 CO 0.15 -1.67 1.80 0.93 0.02 0.00 0.00 175.30 176.53 1n8j h GLU 112 N 9.26 0.56 0.00 3.54 4.39 -1.95 0.30 114.58 130.67 1n8j h GLU 112 Ca -0.23 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1n8j h GLU 112 Cb 1.07 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1n8j h GLU 112 CO 1.12 0.37 0.00 -0.40 -1.16 0.00 0.00 179.01 178.94 1n8j n ASP 113 N -4.83 0.00 0.00 1.42 5.75 -1.26 -3.31 116.55 114.32 1n8j n ASP 113 Ca 0.04 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1n8j n ASP 113 Cb 0.10 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.83 3.05 -1.57 0.11 1.02 -0.75 -5.03 120.64 116.65 1n8j n GLU 114 Ca 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 1n8j n GLU 114 Cb 0.04 -0.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 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 1.19 0.65 3.29 0.62 0.00 0.97 -5.02 105.19 106.89 1n8j n GLY 115 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1n8j n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8j s LEU 116 N -2.01 2.35 0.52 0.99 1.43 -1.20 -4.75 118.68 116.02 1n8j s LEU 116 Ca 0.00 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1n8j s LEU 116 Cb 0.00 -0.83 -0.07 0.00 0.03 0.00 0.00 46.19 45.32 1n8j s LEU 116 CO 0.00 0.01 0.99 0.00 0.23 0.00 0.00 176.35 177.58 1n8j s ALA 117 N -1.54 3.06 0.65 4.21 0.00 -1.26 -0.35 121.76 126.53 1n8j s ALA 117 Ca 0.09 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1n8j s ALA 117 Cb -0.08 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1n8j s ALA 117 CO 0.05 -0.28 0.97 -0.51 0.00 0.00 0.00 175.76 175.98 1n8j s ASP 118 N -3.15 5.28 -1.15 0.00 -0.00 0.10 -3.09 116.67 114.66 1n8j s ASP 118 Ca 0.59 0.67 -0.21 0.00 -0.00 0.00 0.00 52.55 53.59 1n8j s ASP 118 Cb -0.10 -1.51 0.02 0.00 -0.00 0.00 0.00 42.92 41.33 1n8j s ASP 118 CO 0.33 -1.30 1.71 -0.13 -0.00 0.00 0.00 175.17 175.78 1n8j s ARG 119 N -5.13 3.44 -0.01 8.23 0.52 -1.25 -3.96 118.95 120.78 1n8j s ARG 119 Ca 0.57 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1n8j s ARG 119 Cb -0.11 -5.38 -0.01 0.00 0.52 0.00 0.00 34.95 29.98 1n8j s ARG 119 CO 0.46 -2.68 -0.10 0.00 0.02 0.00 0.00 175.30 172.99 1n8j s ALA 120 N 6.35 0.86 -0.02 2.13 0.00 -1.18 -0.87 121.76 129.03 1n8j s ALA 120 Ca 0.56 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.15 1n8j s ALA 120 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1n8j s ALA 120 CO 0.02 0.21 -0.25 0.99 0.00 0.00 0.00 175.76 176.74 1n8j s THR 121 N -0.22 2.18 -0.04 0.00 2.01 0.91 -1.04 115.64 119.43 1n8j s THR 121 Ca 0.04 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1n8j s THR 121 Cb -0.04 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.71 1n8j s THR 121 CO -0.00 0.58 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.03 1n8j s PHE 122 N -0.62 1.30 -0.24 4.92 0.40 -0.57 -1.20 117.98 121.97 1n8j s PHE 122 Ca 0.10 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.96 1n8j s PHE 122 Cb -0.10 -0.93 -0.03 0.00 0.51 0.00 0.00 43.02 42.47 1n8j s PHE 122 CO -0.01 -0.18 0.07 0.08 0.70 0.00 0.00 175.22 175.88 1n8j s VAL 123 N 0.35 4.43 -0.10 -0.44 1.01 -0.65 -0.97 120.40 124.03 1n8j s VAL 123 Ca -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1n8j s VAL 123 Cb -0.12 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1n8j s VAL 123 CO 0.02 0.36 -0.20 -0.69 0.00 0.00 0.00 175.10 174.59 1n8j s VAL 124 N 1.36 2.44 0.79 2.92 1.01 0.63 0.01 120.40 129.55 1n8j s VAL 124 Ca 0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1n8j s VAL 124 Cb -0.15 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.36 1n8j s VAL 124 CO 0.04 0.55 1.13 1.51 0.00 0.00 0.00 175.10 178.33 1n8j s ASP 125 N 0.19 4.49 0.59 3.32 1.47 -0.59 0.06 116.67 126.19 1n8j s ASP 125 Ca -0.12 0.60 0.29 0.00 1.18 0.00 0.00 52.55 54.51 1n8j s ASP 125 Cb -0.16 -1.11 1.41 0.00 -0.34 0.00 0.00 42.92 42.72 1n8j s ASP 125 CO 0.06 -1.87 1.80 -0.65 0.68 0.00 0.00 175.17 175.19 1n8j h PRO 126 N -0.94 0.00 -0.01 2.11 0.11 -1.84 0.24 132.00 131.66 1n8j h PRO 126 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n8j h PRO 126 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1n8j h PRO 126 CO 0.61 0.00 -0.02 1.04 -0.21 0.00 0.00 178.00 179.43 1n8j n GLN 127 N -3.70 1.62 -0.58 1.05 3.00 -1.26 -1.75 117.38 115.76 1n8j n GLN 127 Ca 0.12 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 1n8j n GLN 127 Cb 0.86 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.62 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 1.19 0.68 3.71 1.08 0.00 0.83 -4.90 105.19 107.78 1n8j n GLY 128 Ca 0.19 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 5.24 -0.38 -0.61 -1.09 -1.25 -0.67 121.20 120.44 1n8j s ILE 129 Ca 0.00 0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 58.88 1n8j s ILE 129 Cb 0.00 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1n8j s ILE 129 CO 0.00 0.33 1.44 -0.63 -1.23 0.00 0.00 174.94 174.85 1n8j s ILE 130 N 0.72 3.89 -0.82 2.92 1.01 -0.49 -1.55 121.20 126.88 1n8j s ILE 130 Ca 0.21 0.93 0.23 0.00 0.00 0.00 0.00 60.65 62.02 1n8j s ILE 130 Cb -0.14 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 1n8j s ILE 130 CO 0.07 -0.66 1.07 0.00 0.00 0.00 0.00 174.94 175.42 1n8j n GLN 131 N 7.97 0.13 -3.56 2.79 1.13 0.10 -0.81 117.38 125.12 1n8j n GLN 131 Ca 0.17 -0.01 -0.17 0.00 -1.94 0.00 0.00 57.00 55.05 1n8j n GLN 131 Cb 0.47 -1.53 -0.07 0.00 0.11 0.00 0.00 30.24 29.22 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -3.09 -1.65 -0.03 -1.58 0.00 -1.23 -4.95 121.76 109.24 1n8j s ALA 132 Ca 0.07 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 1n8j s ALA 132 Cb 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1n8j s ALA 132 CO 0.80 -0.35 0.07 0.42 0.00 0.00 0.00 175.76 176.70 1n8j s ILE 133 N -0.98 -0.01 -0.03 0.00 1.01 -1.26 -1.64 121.20 118.30 1n8j s ILE 133 Ca -0.10 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1n8j s ILE 133 Cb -0.01 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.37 1n8j s ILE 133 CO 0.08 0.01 -0.03 -0.70 0.00 0.00 0.00 174.94 174.30 1n8j s GLU 134 N 0.16 0.48 -0.04 2.79 2.12 -0.34 -4.98 118.70 118.89 1n8j s GLU 134 Ca -0.01 -0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.26 1n8j s GLU 134 Cb -0.02 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.85 1n8j s GLU 134 CO -0.00 -0.04 0.03 0.08 -0.54 0.00 0.00 175.26 174.78 1n8j s VAL 135 N 0.62 0.04 0.12 3.70 1.01 -1.26 -0.06 120.40 124.56 1n8j s VAL 135 Ca -0.07 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.24 1n8j s VAL 135 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1n8j s VAL 135 CO -0.01 0.15 -0.21 0.42 0.00 0.00 0.00 175.10 175.46 1n8j s THR 136 N 1.54 1.84 1.20 3.92 -4.23 -0.05 -5.01 115.64 114.85 1n8j s THR 136 Ca -0.03 -1.68 -0.14 0.00 -1.18 0.00 0.00 61.69 58.67 1n8j s THR 136 Cb -0.13 -1.71 0.29 0.00 1.34 0.00 0.00 72.50 72.30 1n8j s THR 136 CO -0.03 -0.10 0.92 0.00 -0.54 0.00 0.00 174.62 174.87 1n8j n ALA 137 N 0.84 -3.23 -0.04 3.99 0.00 -1.26 -3.95 120.51 116.85 1n8j n ALA 137 Ca -0.18 -1.26 -0.09 0.00 0.00 0.00 0.00 53.44 51.91 1n8j n ALA 137 Cb 0.54 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1n8j n ALA 137 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n8j h GLU 138 N -2.73 -0.32 -0.96 0.00 4.57 -2.01 -2.69 114.58 110.45 1n8j h GLU 138 Ca -0.63 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 57.48 1n8j h GLU 138 Cb 1.34 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.95 1n8j h GLU 138 CO 0.49 -0.21 0.12 0.41 -1.18 0.00 0.00 179.01 178.64 1n8j n GLY 139 N -1.41 2.42 2.95 1.92 0.00 -1.26 -4.82 105.19 105.00 1n8j n GLY 139 Ca -0.01 -0.29 -0.27 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 -1.13 1.12 0.37 -0.61 1.01 -1.02 -5.12 121.20 115.82 1n8j s ILE 140 Ca 0.16 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1n8j s ILE 140 Cb 0.13 -1.10 -0.08 0.00 0.01 0.00 0.00 42.46 41.42 1n8j s ILE 140 CO 0.04 0.38 0.75 -0.83 0.00 0.00 0.00 174.94 175.28 1n8j s GLY 141 N 1.42 2.13 0.48 6.18 0.00 -1.26 -4.64 107.32 111.63 1n8j s GLY 141 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 1n8j s GLY 141 CO -0.06 0.11 0.78 0.50 0.00 0.00 0.00 173.10 174.43 1n8j s ARG 142 N -3.44 3.50 -0.35 2.90 0.52 -1.26 -5.07 118.95 115.75 1n8j s ARG 142 Ca 0.53 0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 55.84 1n8j s ARG 142 Cb -0.10 -2.38 0.06 0.00 0.52 0.00 0.00 34.95 33.05 1n8j s ARG 142 CO 0.25 -0.22 0.12 0.34 0.02 0.00 0.00 175.30 175.81 1n8j s ASP 143 N -4.12 5.26 0.54 0.23 -1.08 -1.26 -4.90 116.67 111.34 1n8j s ASP 143 Ca 0.47 -1.39 0.20 0.00 -0.52 0.00 0.00 52.55 51.31 1n8j s ASP 143 Cb -0.10 -1.84 1.42 0.00 -1.46 0.00 0.00 42.92 40.93 1n8j s ASP 143 CO 0.44 -0.38 2.17 0.00 0.52 0.00 0.00 175.17 177.92 1n8j h ALA 144 N 8.17 1.90 -0.84 3.66 0.00 -1.93 -2.07 119.26 128.15 1n8j h ALA 144 Ca -0.21 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1n8j h ALA 144 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1n8j h ALA 144 CO 0.63 -0.03 0.55 0.66 0.00 0.00 0.00 179.25 181.06 1n8j h SER 145 N 0.00 0.95 0.23 0.00 4.64 -1.94 -1.07 113.55 116.35 1n8j h SER 145 Ca 0.01 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1n8j h SER 145 Cb 0.04 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1n8j h SER 145 CO -0.00 0.68 -0.41 -0.78 -0.87 0.00 0.00 176.83 175.45 1n8j h ASP 146 N 1.12 0.25 -0.57 4.97 3.58 -1.81 -2.26 116.42 121.70 1n8j h ASP 146 Ca 0.31 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1n8j h ASP 146 Cb -0.10 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 1n8j h ASP 146 CO -0.08 0.64 0.28 0.25 -2.88 0.00 0.00 179.24 177.45 1n8j h LEU 147 N 0.20 0.74 -0.68 2.28 5.85 -1.08 -2.62 115.31 120.01 1n8j h LEU 147 Ca 0.02 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 1n8j h LEU 147 Cb 0.81 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1n8j h LEU 147 CO 0.06 0.65 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.62 1n8j h LEU 148 N 0.77 0.89 -1.39 2.25 3.38 -0.94 -0.44 115.31 119.83 1n8j h LEU 148 Ca 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1n8j h LEU 148 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1n8j h LEU 148 CO -0.03 1.02 0.22 -0.09 0.09 0.00 0.00 178.44 179.65 1n8j h ARG 149 N 0.80 0.63 0.02 1.13 2.43 -1.24 0.01 114.38 118.16 1n8j h ARG 149 Ca 0.13 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 59.02 1n8j h ARG 149 Cb 0.65 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1n8j h ARG 149 CO 0.05 0.49 -0.95 0.87 -1.51 0.00 0.00 179.97 178.91 1n8j h LYS 150 N 0.63 0.15 -0.27 0.20 1.57 -1.09 -1.34 116.57 116.42 1n8j h LYS 150 Ca 0.16 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1n8j h LYS 150 Cb 0.07 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1n8j h LYS 150 CO -0.02 0.99 -0.46 0.82 -0.57 0.00 0.00 179.45 180.21 1n8j h ILE 151 N 0.07 1.29 0.25 1.86 2.04 -0.51 0.28 117.51 122.80 1n8j h ILE 151 Ca -0.05 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.15 1n8j h ILE 151 Cb 1.62 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1n8j h ILE 151 CO 0.14 0.53 -0.12 0.11 0.00 0.00 0.00 178.15 178.81 1n8j h LYS 152 N 0.53 -0.33 -0.66 2.37 1.57 -1.03 -1.05 116.57 117.97 1n8j h LYS 152 Ca 0.02 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1n8j h LYS 152 Cb 1.06 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.36 1n8j h LYS 152 CO 0.10 -0.12 0.23 0.00 -0.57 0.00 0.00 179.45 179.09 1n8j h ALA 153 N 0.24 0.86 -0.54 3.86 0.00 -1.21 0.34 119.26 122.81 1n8j h ALA 153 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n8j h ALA 153 Cb 0.35 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1n8j h ALA 153 CO 0.06 -0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.41 1n8j h ALA 154 N 1.47 1.54 -0.01 0.00 0.00 -0.62 -2.44 119.26 119.20 1n8j h ALA 154 Ca 0.34 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1n8j h ALA 154 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1n8j h ALA 154 CO -0.36 0.40 -0.72 1.96 0.00 0.00 0.00 179.25 180.53 1n8j h GLN 155 N 0.75 0.09 -0.30 0.00 4.20 0.37 -3.07 115.11 117.15 1n8j h GLN 155 Ca 0.20 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1n8j h GLN 155 Cb -0.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1n8j h GLN 155 CO -0.04 0.77 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.89 1n8j h TYR 156 N 0.06 0.67 0.00 2.96 3.20 -0.80 -2.19 116.97 120.88 1n8j h TYR 156 Ca -0.01 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 1n8j h TYR 156 Cb 1.27 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1n8j h TYR 156 CO 0.01 0.79 -0.26 -0.39 -1.64 0.00 0.00 178.16 176.67 1n8j h VAL 157 N 0.36 1.06 -0.08 1.81 -1.51 -1.56 -0.50 116.25 115.83 1n8j h VAL 157 Ca 0.08 -0.93 -0.17 0.00 -1.23 0.00 0.00 66.70 64.44 1n8j h VAL 157 Cb 0.58 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1n8j h VAL 157 CO 0.03 0.26 -0.70 0.00 -1.23 0.00 0.00 177.57 175.93 1n8j h ALA 158 N 1.74 0.66 -0.33 5.19 0.00 -1.41 -3.02 119.26 122.09 1n8j h ALA 158 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1n8j h ALA 158 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1n8j h ALA 158 CO 0.03 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1n8j n ALA 159 N -2.50 2.46 -3.06 0.00 0.00 -0.84 -4.52 120.51 112.05 1n8j n ALA 159 Ca -0.04 -0.79 -0.18 0.00 0.00 0.00 0.00 53.44 52.43 1n8j n ALA 159 Cb 0.69 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N 0.95 -1.13 -1.68 0.00 -0.00 -0.24 -5.05 115.22 108.07 1n8j n HIS 160 Ca 0.18 -3.09 -0.45 0.00 -0.00 0.00 0.00 57.72 54.36 1n8j n HIS 160 Cb 0.47 0.21 -0.03 0.00 -0.00 0.00 0.00 29.99 30.64 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n8j n PRO 161 N 1.22 2.09 0.00 -0.41 -0.02 -1.24 -1.29 135.00 135.36 1n8j n PRO 161 Ca 0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1n8j n PRO 161 Cb 0.58 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.27 1.13 3.45 -1.23 0.00 -1.26 -5.06 105.19 104.50 1n8j n GLY 162 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 2.61 0.11 1.61 2.02 -0.41 -3.13 118.70 120.59 1n8j s GLU 163 Ca 0.00 -0.71 0.11 0.00 0.02 0.00 0.00 54.97 54.39 1n8j s GLU 163 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 1n8j s GLU 163 CO 0.00 0.56 -0.27 0.14 0.02 0.00 0.00 175.26 175.72 1n8j s VAL 164 N -0.57 2.20 -0.32 2.63 -7.23 0.12 -4.71 120.40 112.51 1n8j s VAL 164 Ca 0.08 -1.69 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 1n8j s VAL 164 Cb -0.11 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1n8j s VAL 164 CO 0.01 0.12 0.42 0.00 -0.31 0.00 0.00 175.10 175.35 1n8j s PRO 166 N 2.17 -1.49 0.39 0.00 0.02 -1.26 -4.89 135.00 129.95 1n8j s PRO 166 Ca 0.15 0.28 -0.27 0.00 0.02 0.00 0.00 61.00 61.19 1n8j s PRO 166 Cb -0.16 -1.53 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 1n8j s PRO 166 CO 0.12 -3.96 1.32 0.00 -0.33 0.00 0.00 177.00 174.15 1n8j s ALA 167 N -2.64 3.33 -1.14 -1.55 0.00 -1.26 -2.50 121.76 116.00 1n8j s ALA 167 Ca 0.69 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1n8j s ALA 167 Cb -0.16 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1n8j s ALA 167 CO 0.59 -0.82 0.00 1.63 0.00 0.00 0.00 175.76 177.16 1n8j n LYS 168 N 0.28 -0.88 -2.54 0.00 5.02 -1.26 -4.98 118.16 113.80 1n8j n LYS 168 Ca 0.03 0.75 -0.37 0.00 -2.02 0.00 0.00 58.31 56.70 1n8j n LYS 168 Cb 0.43 -4.83 -0.04 0.00 -0.02 0.00 0.00 35.03 30.57 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 -2.51 3.30 0.02 2.13 -0.00 -1.04 -5.05 118.94 115.79 1n8j s TRP 169 Ca 0.00 1.65 -0.15 0.00 -0.00 0.00 0.00 56.10 57.60 1n8j s TRP 169 Cb 0.00 -3.14 0.02 0.00 -0.00 0.00 0.00 33.47 30.36 1n8j s TRP 169 CO 0.00 -0.60 0.33 0.15 -0.00 0.00 0.00 176.95 176.82 1n8j s LYS 170 N -2.39 0.79 0.24 5.86 1.02 -1.26 -4.92 119.74 119.07 1n8j s LYS 170 Ca 0.56 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.90 1n8j s LYS 170 Cb -0.23 0.34 -0.16 0.00 -0.52 0.00 0.00 37.83 37.26 1n8j s LYS 170 CO 0.29 -0.25 0.53 0.39 -0.92 0.00 0.00 175.35 175.39 1n8j n GLU 171 N 0.78 0.16 -0.06 1.68 1.02 -1.26 -1.44 120.64 121.51 1n8j n GLU 171 Ca -0.19 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1n8j n GLU 171 Cb 0.58 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 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 1.95 2.57 3.95 0.62 0.00 -1.26 -5.02 105.19 108.00 1n8j n GLY 172 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.10 1.65 0.06 1.61 2.02 -0.52 -5.03 118.70 118.38 1n8j s GLU 173 Ca 0.00 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 1n8j s GLU 173 Cb 0.00 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 1n8j s GLU 173 CO 0.00 -1.57 1.22 0.00 0.02 0.00 0.00 175.26 174.92 1n8j s ALA 174 N -3.34 3.41 0.43 5.21 0.00 -1.26 -4.97 121.76 121.23 1n8j s ALA 174 Ca 0.66 0.86 0.08 0.00 0.00 0.00 0.00 51.96 53.55 1n8j s ALA 174 Cb -0.07 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1n8j s ALA 174 CO 0.46 -0.47 0.36 0.95 0.00 0.00 0.00 175.76 177.07 1n8j s THR 175 N 1.12 2.54 0.11 0.00 -4.23 -1.26 -4.64 115.64 109.28 1n8j s THR 175 Ca 0.59 -1.39 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1n8j s THR 175 Cb -0.30 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1n8j s THR 175 CO 0.29 0.00 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.54 1n8j s LEU 176 N -4.12 3.17 -0.39 4.79 1.43 -0.11 -4.95 118.68 118.50 1n8j s LEU 176 Ca 0.47 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1n8j s LEU 176 Cb -0.02 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1n8j s LEU 176 CO 0.27 0.17 0.14 0.00 0.23 0.00 0.00 176.35 177.15 1n8j s ALA 177 N -1.31 2.58 0.28 4.21 0.00 -1.26 0.11 121.76 126.37 1n8j s ALA 177 Ca 0.23 -2.53 -0.29 0.00 0.00 0.00 0.00 51.96 49.37 1n8j s ALA 177 Cb -0.11 -1.93 -0.14 0.00 0.00 0.00 0.00 23.12 20.95 1n8j s ALA 177 CO 0.15 -1.82 1.19 -2.30 0.00 0.00 0.00 175.76 172.98 1n8j n PRO 178 N 4.01 1.68 -2.80 0.00 -0.02 -1.18 -4.94 135.00 131.74 1n8j n PRO 178 Ca 0.04 0.59 -0.03 0.00 -2.02 0.00 0.00 63.50 62.08 1n8j n PRO 178 Cb 0.39 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1n8j n SER 179 N 1.39 -1.17 0.04 2.55 3.41 -1.26 -5.02 113.62 113.55 1n8j n SER 179 Ca 0.09 -1.71 -0.20 0.00 -0.26 0.00 0.00 58.87 56.80 1n8j n SER 179 Cb 0.32 1.93 -0.11 0.00 -0.26 0.00 0.00 64.21 66.09 1n8j n SER 179 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1n8j h LEU 180 N 0.00 0.87 -2.31 1.04 6.46 -2.00 -3.30 115.31 116.08 1n8j h LEU 180 Ca -0.18 -0.74 -0.01 0.00 -0.12 0.00 0.00 57.88 56.83 1n8j h LEU 180 Cb 0.73 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1n8j h LEU 180 CO 0.23 1.50 -0.05 -0.78 -0.62 0.00 0.00 178.44 178.73 1n8j h ASP 181 N 0.34 0.00 0.50 1.25 1.82 -1.98 -2.54 116.42 115.81 1n8j h ASP 181 Ca -0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1n8j h ASP 181 Cb 1.66 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.67 1n8j h ASP 181 CO 0.20 0.05 -0.08 0.18 -1.61 0.00 0.00 179.24 177.97 1n8j n LEU 182 N -3.56 0.25 -4.66 2.28 4.77 -1.24 -4.71 117.00 110.12 1n8j n LEU 182 Ca -0.02 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1n8j n LEU 182 Cb 0.15 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1n8j n LEU 182 CO 0.27 0.05 1.13 -0.69 -1.33 0.00 0.00 177.39 176.82 1n8j s VAL 183 N -2.58 4.16 0.00 4.08 1.01 -0.96 -3.00 120.40 123.11 1n8j s VAL 183 Ca 0.27 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1n8j s VAL 183 Cb 0.20 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1n8j s VAL 183 CO 0.49 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1n8j n GLY 184 N 3.78 3.34 0.00 4.51 0.00 -1.26 -4.95 105.19 110.61 1n8j n GLY 184 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1n8j n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n8j n LYS 185 N -1.72 0.00 0.00 1.61 5.02 -1.16 -5.28 118.16 116.62 1n8j n LYS 185 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1n8j n LYS 185 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1n8j n LYS 185 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99