#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 0.94 -4.72 2.46 4.77 -1.26 -4.89 117.00 114.30 1n8j n LEU 2 Ca 0.00 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 1n8j n LEU 2 Cb 0.00 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1n8j n LEU 2 CO 0.00 0.17 1.02 0.00 -1.33 0.00 0.00 177.39 177.25 1n8j n ILE 3 N -0.61 1.68 -1.19 -0.08 0.13 -1.26 -1.60 119.36 116.43 1n8j n ILE 3 Ca 0.14 -0.42 -0.07 0.00 -1.10 0.00 0.00 62.75 61.31 1n8j n ILE 3 Cb 0.33 -1.69 -0.03 0.00 -0.84 0.00 0.00 39.64 37.40 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 1.14 -4.68 -4.73 9.51 4.05 -0.08 -4.99 115.26 115.49 1n8j n ASN 4 Ca 0.06 0.16 -0.23 0.00 0.45 0.00 0.00 54.58 55.02 1n8j n ASN 4 Cb 0.36 -2.76 -0.06 0.00 1.23 0.00 0.00 39.78 38.55 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 -1.94 3.93 0.07 -0.44 -4.23 -0.63 -4.84 115.64 107.56 1n8j s THR 5 Ca 0.00 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 58.66 1n8j s THR 5 Cb 0.00 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 1n8j s THR 5 CO 0.00 -0.33 0.65 -0.75 -0.54 0.00 0.00 174.62 173.64 1n8j s LYS 6 N -3.67 4.35 0.57 3.99 2.20 -1.26 -1.60 119.74 124.32 1n8j s LYS 6 Ca 0.32 0.87 -0.19 0.00 -0.36 0.00 0.00 55.97 56.60 1n8j s LYS 6 Cb -0.07 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1n8j s LYS 6 CO 0.22 0.50 1.15 0.96 -0.36 0.00 0.00 175.35 177.83 1n8j s ILE 7 N -0.72 2.98 0.45 5.43 -4.36 -0.26 -4.99 121.20 119.73 1n8j s ILE 7 Ca 0.32 0.60 -0.05 0.00 -0.26 0.00 0.00 60.65 61.26 1n8j s ILE 7 Cb -0.20 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.24 1n8j s ILE 7 CO 0.21 -0.14 0.74 -0.54 0.24 0.00 0.00 174.94 175.45 1n8j s LYS 8 N -3.34 3.57 0.57 0.37 1.02 -1.26 -5.04 119.74 115.63 1n8j s LYS 8 Ca 0.74 0.16 -0.21 0.00 0.02 0.00 0.00 55.97 56.69 1n8j s LYS 8 Cb -0.26 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1n8j s LYS 8 CO 0.30 -0.12 1.31 -1.25 -0.92 0.00 0.00 175.35 174.67 1n8j s PRO 9 N -4.51 3.02 0.08 -1.68 0.04 -1.26 -4.84 135.00 125.84 1n8j s PRO 9 Ca 0.47 2.11 -0.22 0.00 0.04 0.00 0.00 61.00 63.39 1n8j s PRO 9 Cb -0.10 -2.12 0.06 0.00 0.04 0.00 0.00 34.50 32.37 1n8j s PRO 9 CO 0.41 -1.25 0.54 -0.59 0.04 0.00 0.00 177.00 176.15 1n8j s PHE 10 N -1.38 -0.44 -0.23 0.56 -0.12 -1.26 -4.98 117.98 110.13 1n8j s PHE 10 Ca 0.75 0.42 -0.03 0.00 -0.05 0.00 0.00 56.93 58.01 1n8j s PHE 10 Cb -0.38 0.39 0.11 0.00 -0.63 0.00 0.00 43.02 42.51 1n8j s PHE 10 CO 0.43 -0.70 0.25 0.21 -0.05 0.00 0.00 175.22 175.36 1n8j s LYS 11 N -2.83 0.24 0.13 1.99 2.20 -1.26 -2.79 119.74 117.41 1n8j s LYS 11 Ca -0.03 0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1n8j s LYS 11 Cb -0.00 -1.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.27 1n8j s LYS 11 CO -0.05 -0.78 -0.12 -0.80 -0.36 0.00 0.00 175.35 173.24 1n8j s ASN 12 N 2.34 1.87 0.26 1.43 -0.87 -0.03 -4.98 114.94 114.95 1n8j s ASN 12 Ca 0.08 -0.86 -0.13 0.00 -1.57 0.00 0.00 52.86 50.37 1n8j s ASN 12 Cb -0.15 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.25 40.95 1n8j s ASN 12 CO -0.19 -0.21 0.64 -1.10 -2.57 0.00 0.00 177.10 173.67 1n8j s GLN 13 N -2.98 3.95 0.08 -0.60 -1.52 -1.26 -0.49 119.66 116.84 1n8j s GLN 13 Ca 0.10 0.52 -0.08 0.00 -1.95 0.00 0.00 55.36 53.95 1n8j s GLN 13 Cb -0.03 -2.61 -0.00 0.00 -0.22 0.00 0.00 33.01 30.15 1n8j s GLN 13 CO 0.02 0.27 0.17 0.00 -0.25 0.00 0.00 175.29 175.51 1n8j s ALA 14 N -1.82 -0.17 -0.23 6.09 0.00 0.25 -1.39 121.76 124.48 1n8j s ALA 14 Ca 0.49 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 1n8j s ALA 14 Cb -0.12 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1n8j s ALA 14 CO 0.19 -0.50 0.03 0.12 0.00 0.00 0.00 175.76 175.60 1n8j s PHE 15 N -3.84 3.04 -0.05 0.00 5.36 0.45 -1.34 117.98 121.59 1n8j s PHE 15 Ca 0.05 -0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 55.43 1n8j s PHE 15 Cb 0.05 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1n8j s PHE 15 CO -0.11 -0.39 0.01 0.21 -1.46 0.00 0.00 175.22 173.48 1n8j s LYS 16 N 1.48 0.39 -1.24 10.12 2.20 -0.24 -0.85 119.74 131.58 1n8j s LYS 16 Ca 0.05 0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.54 1n8j s LYS 16 Cb -0.15 -0.75 0.04 0.00 -1.51 0.00 0.00 37.83 35.46 1n8j s LYS 16 CO 0.01 -0.26 0.52 0.09 -0.36 0.00 0.00 175.35 175.35 1n8j n ASN 17 N 4.92 -2.95 0.00 1.43 3.02 -1.26 -1.64 115.26 118.77 1n8j n ASN 17 Ca -0.11 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1n8j n ASN 17 Cb 0.50 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 1n8j n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8j n GLY 18 N -2.17 1.04 3.15 7.41 0.00 -1.26 -5.03 105.19 108.33 1n8j n GLY 18 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.11 0.83 -0.13 1.61 -1.05 -0.65 -5.14 118.70 114.06 1n8j s GLU 19 Ca 0.00 -1.36 -0.14 0.00 -0.15 0.00 0.00 54.97 53.32 1n8j s GLU 19 Cb 0.00 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.70 1n8j s GLU 19 CO 0.00 -0.14 0.31 -0.06 0.95 0.00 0.00 175.26 176.32 1n8j s PHE 20 N -3.86 3.52 0.21 4.83 0.08 -1.26 -1.08 117.98 120.42 1n8j s PHE 20 Ca 0.16 0.67 -0.00 0.00 0.12 0.00 0.00 56.93 57.88 1n8j s PHE 20 Cb 0.07 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 1n8j s PHE 20 CO -0.03 0.34 0.10 0.96 -0.10 0.00 0.00 175.22 176.49 1n8j s ILE 21 N 0.10 0.25 -0.09 0.64 -4.36 -0.45 -4.98 121.20 112.31 1n8j s ILE 21 Ca 0.18 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1n8j s ILE 21 Cb -0.14 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 1n8j s ILE 21 CO 0.06 -0.10 -0.05 -0.70 0.24 0.00 0.00 174.94 174.40 1n8j s GLU 22 N -4.08 2.97 -0.07 0.37 2.12 -1.26 -0.58 118.70 118.17 1n8j s GLU 22 Ca 0.36 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.23 1n8j s GLU 22 Cb 0.07 -2.70 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 1n8j s GLU 22 CO 0.11 0.59 -0.23 0.08 -0.54 0.00 0.00 175.26 175.27 1n8j s VAL 23 N -0.61 1.96 0.33 3.70 1.01 0.35 -4.96 120.40 122.19 1n8j s VAL 23 Ca 0.09 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1n8j s VAL 23 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1n8j s VAL 23 CO 0.02 0.54 0.10 0.42 0.00 0.00 0.00 175.10 176.19 1n8j s THR 24 N 0.07 0.73 -0.25 3.92 -4.23 -1.26 -0.85 115.64 113.77 1n8j s THR 24 Ca -0.09 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.66 1n8j s THR 24 Cb -0.15 -2.58 0.25 0.00 1.34 0.00 0.00 72.50 71.36 1n8j s THR 24 CO 0.05 0.00 1.73 1.05 -0.54 0.00 0.00 174.62 176.92 1n8j h GLU 25 N 2.09 0.00 -0.56 3.99 9.09 -1.84 -1.57 114.58 125.77 1n8j h GLU 25 Ca -0.37 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.00 1n8j h GLU 25 Cb 1.25 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.33 1n8j h GLU 25 CO 0.61 0.00 0.18 -0.22 0.05 0.00 0.00 179.01 179.63 1n8j h LYS 26 N 0.00 0.83 0.00 1.06 3.64 -1.94 -2.01 116.57 118.15 1n8j h LYS 26 Ca 0.00 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1n8j h LYS 26 Cb 0.17 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1n8j h LYS 26 CO 0.00 0.72 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.36 1n8j h ASP 27 N 0.81 0.00 1.21 4.20 3.32 -1.68 -2.93 116.42 121.35 1n8j h ASP 27 Ca 0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1n8j h ASP 27 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1n8j h ASP 27 CO -0.01 0.09 -0.80 0.71 -1.72 0.00 0.00 179.24 177.51 1n8j h THR 28 N 0.00 0.13 -2.41 0.35 1.35 -1.50 -3.46 112.91 107.37 1n8j h THR 28 Ca -0.00 -1.22 -0.54 0.00 -0.55 0.00 0.00 66.41 64.10 1n8j h THR 28 Cb 0.20 1.75 0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1n8j h THR 28 CO 0.01 0.07 1.12 -0.62 -0.25 0.00 0.00 175.52 175.85 1n8j n GLU 29 N -2.84 2.71 -0.72 4.72 1.02 -1.11 -1.32 120.64 123.10 1n8j n GLU 29 Ca -0.00 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1n8j n GLU 29 Cb 0.60 -2.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 4.26 0.68 3.29 0.62 0.00 -0.08 -5.04 105.19 108.92 1n8j n GLY 30 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.28 1.19 0.05 1.61 0.52 -0.43 -4.83 118.95 116.78 1n8j s ARG 31 Ca 0.00 -1.54 -0.21 0.00 -0.52 0.00 0.00 55.73 53.46 1n8j s ARG 31 Cb 0.00 -0.70 -0.06 0.00 0.52 0.00 0.00 34.95 34.70 1n8j s ARG 31 CO 0.00 0.04 0.61 -1.58 0.02 0.00 0.00 175.30 174.39 1n8j s TRP 32 N -3.30 3.77 0.03 -0.53 0.52 -1.18 -2.08 118.94 116.18 1n8j s TRP 32 Ca 0.21 1.29 0.02 0.00 0.02 0.00 0.00 56.10 57.65 1n8j s TRP 32 Cb 0.03 -2.58 -0.02 0.00 -1.15 0.00 0.00 33.47 29.75 1n8j s TRP 32 CO 0.04 0.48 -0.08 -1.12 0.02 0.00 0.00 176.95 176.29 1n8j s SER 33 N -0.73 0.91 -0.15 2.95 0.01 0.76 -1.21 113.70 116.26 1n8j s SER 33 Ca 0.31 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.15 1n8j s SER 33 Cb -0.19 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1n8j s SER 33 CO 0.19 -0.11 -0.16 -0.69 0.41 0.00 0.00 173.24 172.88 1n8j s VAL 34 N -1.00 1.72 -0.36 3.43 1.01 -0.34 -0.04 120.40 124.82 1n8j s VAL 34 Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1n8j s VAL 34 Cb -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1n8j s VAL 34 CO 0.00 0.48 0.22 -0.36 0.00 0.00 0.00 175.10 175.45 1n8j s PHE 35 N 1.30 3.22 -0.54 5.22 0.40 -0.60 -0.74 117.98 126.24 1n8j s PHE 35 Ca 0.02 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 1n8j s PHE 35 Cb -0.13 -2.46 0.14 0.00 0.51 0.00 0.00 43.02 41.07 1n8j s PHE 35 CO -0.09 -0.53 0.44 0.12 0.70 0.00 0.00 175.22 175.86 1n8j s PHE 36 N 1.63 3.41 0.25 0.36 5.36 0.97 -1.33 117.98 128.62 1n8j s PHE 36 Ca 0.04 -1.76 -0.16 0.00 -0.96 0.00 0.00 56.93 54.09 1n8j s PHE 36 Cb -0.18 -3.60 -0.08 0.00 -0.34 0.00 0.00 43.02 38.81 1n8j s PHE 36 CO 0.08 -0.99 0.68 -0.06 -1.46 0.00 0.00 175.22 173.47 1n8j s PHE 37 N 1.23 3.52 0.08 10.12 0.40 0.46 0.20 117.98 134.00 1n8j s PHE 37 Ca 0.07 1.22 -0.10 0.00 -0.60 0.00 0.00 56.93 57.52 1n8j s PHE 37 Cb -0.25 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1n8j s PHE 37 CO -0.01 0.26 0.23 1.52 0.70 0.00 0.00 175.22 177.92 1n8j s TYR 38 N -1.70 0.07 0.05 0.36 -0.85 -0.07 -3.23 117.35 111.98 1n8j s TYR 38 Ca 0.46 -0.43 -0.33 0.00 -0.52 0.00 0.00 57.07 56.25 1n8j s TYR 38 Cb -0.14 -0.00 -0.19 0.00 0.38 0.00 0.00 41.96 42.02 1n8j s TYR 38 CO 0.19 -0.54 1.49 -1.35 -1.52 0.00 0.00 175.55 173.82 1n8j h PRO 39 N 2.84 -1.02 -2.19 -3.49 0.11 -1.80 -3.39 132.00 123.07 1n8j h PRO 39 Ca -0.34 0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1n8j h PRO 39 Cb 1.21 0.23 -0.18 0.00 0.11 0.00 0.00 31.00 32.37 1n8j h PRO 39 CO 0.53 -0.67 0.20 0.00 -0.21 0.00 0.00 178.00 177.85 1n8j s ALA 40 N -5.76 -1.74 0.76 -0.75 0.00 -1.26 -4.34 121.76 108.67 1n8j s ALA 40 Ca -0.18 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1n8j s ALA 40 Cb 0.02 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.35 1n8j s ALA 40 CO 0.57 -0.45 1.09 -0.51 0.00 0.00 0.00 175.76 176.47 1n8j s ASP 41 N -1.49 4.60 -1.34 0.00 1.11 -1.26 -3.77 116.67 114.51 1n8j s ASP 41 Ca -0.08 1.85 -0.07 0.00 0.18 0.00 0.00 52.55 54.42 1n8j s ASP 41 Cb -0.00 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.47 1n8j s ASP 41 CO 0.05 -1.97 0.96 0.49 1.18 0.00 0.00 175.17 175.88 1n8j n PHE 42 N -3.36 -2.47 -2.63 4.23 3.01 -1.26 -5.01 117.46 109.97 1n8j n PHE 42 Ca 0.09 0.82 0.00 0.00 1.01 0.00 0.00 57.45 59.37 1n8j n PHE 42 Cb 0.53 -4.67 0.00 0.00 -0.01 0.00 0.00 39.48 35.33 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 -4.75 0.00 -0.05 4.37 -2.24 -1.25 -5.13 114.28 105.24 1n8j n THR 43 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1n8j n THR 43 Cb 0.57 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1n8j n THR 43 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n8j n PHE 44 N 0.00 0.00 -0.06 4.78 3.72 -1.26 -4.55 117.46 120.09 1n8j n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1n8j n PHE 44 Cb 0.00 -0.40 -0.07 0.00 -0.94 0.00 0.00 39.48 38.07 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 -0.63 1.35 -0.54 -4.37 2.07 -1.98 -3.34 116.25 108.82 1n8j h VAL 45 Ca -0.13 -1.37 0.10 0.00 0.82 0.00 0.00 66.70 66.13 1n8j h VAL 45 Cb 0.85 1.89 -0.11 0.00 -1.52 0.00 0.00 31.29 32.40 1n8j h VAL 45 CO -0.08 0.41 -0.24 0.28 0.02 0.00 0.00 177.57 177.95 1n8j h SER 46 N 0.02 -0.85 -0.63 0.57 0.02 -1.90 -1.91 113.55 108.87 1n8j h SER 46 Ca 0.02 0.19 0.13 0.00 -0.84 0.00 0.00 61.79 61.30 1n8j h SER 46 Cb 0.73 0.46 -0.10 0.00 0.14 0.00 0.00 62.40 63.62 1n8j h SER 46 CO 0.04 -0.26 0.04 -0.65 -1.14 0.00 0.00 176.83 174.86 1n8j h PRO 47 N -0.11 0.14 -0.83 3.45 0.11 -1.80 0.96 132.00 133.92 1n8j h PRO 47 Ca 0.24 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1n8j h PRO 47 Cb 0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 1n8j h PRO 47 CO -0.61 0.10 0.43 1.79 -0.21 0.00 0.00 178.00 179.50 1n8j h THR 48 N 0.15 1.25 -0.21 -1.15 1.35 -1.50 0.16 112.91 112.95 1n8j h THR 48 Ca 0.34 -0.65 -0.03 0.00 -0.55 0.00 0.00 66.41 65.52 1n8j h THR 48 Cb 0.55 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1n8j h THR 48 CO -0.52 0.29 0.03 -0.33 -0.25 0.00 0.00 175.52 174.74 1n8j h GLU 49 N 1.17 0.36 -0.63 4.72 5.08 -0.53 -1.01 114.58 123.74 1n8j h GLU 49 Ca 0.29 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1n8j h GLU 49 Cb 0.07 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1n8j h GLU 49 CO -0.04 0.51 0.28 -0.07 -1.00 0.00 0.00 179.01 178.69 1n8j h LEU 50 N 0.15 0.82 -0.71 1.33 3.38 -0.69 -1.77 115.31 117.82 1n8j h LEU 50 Ca 0.06 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1n8j h LEU 50 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1n8j h LEU 50 CO 0.01 0.71 -0.30 1.23 0.09 0.00 0.00 178.44 180.18 1n8j h GLY 51 N 0.99 0.71 1.45 0.83 0.00 -0.78 -1.87 103.07 104.41 1n8j h GLY 51 Ca 0.22 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1n8j h GLY 51 CO -0.02 0.59 -0.16 -1.80 0.00 0.00 0.00 176.54 175.14 1n8j h ASP 52 N 0.56 0.64 0.35 0.19 -0.00 -0.69 -1.33 116.42 116.15 1n8j h ASP 52 Ca 0.07 -0.20 -0.16 0.00 -0.00 0.00 0.00 57.03 56.74 1n8j h ASP 52 Cb 0.80 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.94 1n8j h ASP 52 CO 0.07 0.82 -0.64 0.58 -0.00 0.00 0.00 179.24 180.06 1n8j h VAL 53 N 0.59 1.39 -0.62 2.25 2.07 -1.16 -2.93 116.25 117.84 1n8j h VAL 53 Ca 0.10 -2.06 -0.06 0.00 0.82 0.00 0.00 66.70 65.50 1n8j h VAL 53 Cb 0.61 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1n8j h VAL 53 CO 0.04 0.61 0.16 0.00 0.02 0.00 0.00 177.57 178.40 1n8j h ALA 54 N 1.12 1.10 0.00 1.67 0.00 -0.84 0.15 119.26 122.47 1n8j h ALA 54 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1n8j h ALA 54 Cb 1.17 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1n8j h ALA 54 CO 0.10 0.60 -0.10 -0.44 0.00 0.00 0.00 179.25 179.41 1n8j h ASP 55 N 0.93 0.00 -0.01 0.00 3.32 -1.08 -1.94 116.42 117.64 1n8j h ASP 55 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1n8j h ASP 55 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1n8j h ASP 55 CO -0.00 0.10 -0.35 1.41 -1.72 0.00 0.00 179.24 178.68 1n8j n HIS 56 N -3.81 0.00 -0.09 4.55 8.25 -0.59 -4.63 115.22 118.91 1n8j n HIS 56 Ca -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.38 1n8j n HIS 56 Cb 0.20 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 2.96 -0.08 -0.69 4.41 3.20 -0.18 -1.07 116.97 125.52 1n8j h TYR 57 Ca 0.00 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.02 1n8j h TYR 57 Cb 0.81 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 39.07 1n8j h TYR 57 CO 0.00 -0.09 0.23 1.49 -1.64 0.00 0.00 178.16 178.15 1n8j h GLU 58 N 0.05 0.36 -0.52 1.82 4.81 -1.82 0.24 114.58 119.53 1n8j h GLU 58 Ca 0.15 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1n8j h GLU 58 Cb 0.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1n8j h GLU 58 CO -0.29 0.24 -0.07 1.49 -0.73 0.00 0.00 179.01 179.65 1n8j h GLU 59 N 0.37 0.95 -0.25 1.92 4.81 -1.74 -1.77 114.58 118.88 1n8j h GLU 59 Ca 0.37 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1n8j h GLU 59 Cb 0.54 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1n8j h GLU 59 CO -0.40 0.98 0.01 -0.07 -0.73 0.00 0.00 179.01 178.80 1n8j h LEU 60 N 0.85 0.42 -0.82 1.64 3.38 0.10 -2.13 115.31 118.75 1n8j h LEU 60 Ca 0.14 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1n8j h LEU 60 Cb 0.60 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1n8j h LEU 60 CO 0.04 0.61 0.52 1.56 0.09 0.00 0.00 178.44 181.26 1n8j h GLN 61 N 0.21 0.98 -0.12 1.13 1.08 -0.49 -0.39 115.11 117.52 1n8j h GLN 61 Ca 0.07 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1n8j h GLN 61 Cb 0.39 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1n8j h GLN 61 CO 0.01 0.65 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.31 1n8j h LYS 62 N 1.01 0.16 -0.21 1.46 3.64 -1.10 -0.17 116.57 121.36 1n8j h LYS 62 Ca 0.33 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1n8j h LYS 62 Cb 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1n8j h LYS 62 CO -0.12 0.20 0.00 1.28 -2.27 0.00 0.00 179.45 178.54 1n8j n LEU 63 N -4.42 1.34 -0.39 5.20 4.77 -0.43 -4.89 117.00 118.17 1n8j n LEU 63 Ca -0.01 -0.63 -0.04 0.00 -0.03 0.00 0.00 56.01 55.30 1n8j n LEU 63 Cb 0.16 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1n8j n LEU 63 CO 0.36 0.32 -0.05 0.61 -1.33 0.00 0.00 177.39 177.30 1n8j n GLY 64 N 0.96 0.48 3.47 -0.72 0.00 -0.08 -4.97 105.19 104.34 1n8j n GLY 64 Ca 0.11 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.18 4.16 0.28 1.61 1.01 -0.29 -3.10 120.40 121.89 1n8j s VAL 65 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1n8j s VAL 65 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1n8j s VAL 65 CO 0.00 0.41 0.51 -1.81 0.00 0.00 0.00 175.10 174.20 1n8j s ASP 66 N 1.09 6.39 -0.04 3.32 1.01 -0.35 -3.64 116.67 124.46 1n8j s ASP 66 Ca 0.03 0.56 0.04 0.00 0.71 0.00 0.00 52.55 53.89 1n8j s ASP 66 Cb -0.14 -2.08 -0.00 0.00 1.01 0.00 0.00 42.92 41.70 1n8j s ASP 66 CO 0.02 -0.18 -0.17 -0.69 0.21 0.00 0.00 175.17 174.37 1n8j s VAL 67 N -2.08 1.39 -0.15 -1.27 1.01 -1.26 -1.20 120.40 116.84 1n8j s VAL 67 Ca 0.41 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1n8j s VAL 67 Cb -0.11 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1n8j s VAL 67 CO 0.31 0.40 -0.01 -0.31 0.00 0.00 0.00 175.10 175.49 1n8j s TYR 68 N -0.04 1.21 0.24 5.22 1.51 0.08 -3.28 117.35 122.28 1n8j s TYR 68 Ca -0.02 -0.76 -0.11 0.00 -1.01 0.00 0.00 57.07 55.18 1n8j s TYR 68 Cb -0.10 -1.09 -0.08 0.00 -0.11 0.00 0.00 41.96 40.58 1n8j s TYR 68 CO 0.02 -0.53 0.59 -1.54 -1.11 0.00 0.00 175.55 172.97 1n8j s SER 69 N 1.80 6.68 -0.03 2.29 1.04 -0.75 -0.02 113.70 124.71 1n8j s SER 69 Ca 0.02 1.02 -0.02 0.00 0.48 0.00 0.00 55.95 57.45 1n8j s SER 69 Cb -0.15 -2.26 0.02 0.00 0.10 0.00 0.00 66.02 63.72 1n8j s SER 69 CO -0.07 -0.08 0.06 -0.69 0.98 0.00 0.00 173.24 173.44 1n8j s VAL 70 N -1.81 -0.02 0.15 5.02 1.01 0.13 -0.43 120.40 124.45 1n8j s VAL 70 Ca 0.48 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1n8j s VAL 70 Cb -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1n8j s VAL 70 CO 0.20 0.03 0.32 -0.94 0.00 0.00 0.00 175.10 174.72 1n8j s SER 71 N 0.41 -0.03 0.00 3.32 1.04 -1.21 -0.89 113.70 116.34 1n8j s SER 71 Ca -0.03 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.75 1n8j s SER 71 Cb -0.05 0.45 0.29 0.00 0.10 0.00 0.00 66.02 66.81 1n8j s SER 71 CO -0.01 -0.89 1.19 0.35 0.98 0.00 0.00 173.24 174.86 1n8j n THR 72 N -0.21 0.03 -1.73 2.02 -2.24 -1.26 -1.01 114.28 109.87 1n8j n THR 72 Ca -0.10 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1n8j n THR 72 Cb 0.63 -0.05 0.11 0.00 -2.10 0.00 0.00 70.33 68.91 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -1.15 4.13 0.69 3.42 1.01 -1.26 -3.40 116.67 120.11 1n8j s ASP 73 Ca 0.08 0.89 -0.08 0.00 0.71 0.00 0.00 52.55 54.16 1n8j s ASP 73 Cb 0.04 -1.44 0.04 0.00 1.01 0.00 0.00 42.92 42.57 1n8j s ASP 73 CO 0.06 -2.15 1.01 0.42 0.21 0.00 0.00 175.17 174.72 1n8j s THR 74 N -3.43 2.75 -0.31 -1.27 -4.23 -1.26 -2.32 115.64 105.56 1n8j s THR 74 Ca 0.63 -0.08 0.27 0.00 -1.18 0.00 0.00 61.69 61.33 1n8j s THR 74 Cb -0.13 -3.17 0.32 0.00 1.34 0.00 0.00 72.50 70.86 1n8j s THR 74 CO 0.51 -0.20 1.81 1.12 -0.54 0.00 0.00 174.62 177.32 1n8j h HIS 75 N -0.55 0.00 -0.27 3.99 2.07 -1.86 -2.61 115.15 115.92 1n8j h HIS 75 Ca -0.45 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 56.95 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 0.00 -0.30 0.74 -3.07 0.00 0.00 177.93 175.69 1n8j h PHE 76 N 0.00 0.82 -0.23 6.12 -1.00 -1.97 -2.62 116.94 118.06 1n8j h PHE 76 Ca 0.00 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1n8j h PHE 76 Cb 0.56 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 1n8j h PHE 76 CO 0.00 1.00 0.15 1.15 -1.61 0.00 0.00 178.31 178.99 1n8j h THR 77 N 0.41 1.07 -0.76 -1.55 2.02 -1.85 -2.10 112.91 110.15 1n8j h THR 77 Ca 0.04 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 67.15 1n8j h THR 77 Cb 0.87 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 1n8j h THR 77 CO 0.07 0.07 0.44 0.45 0.37 0.00 0.00 175.52 176.92 1n8j h HIS 78 N 0.30 0.81 -0.22 3.16 3.86 -1.47 0.08 115.15 121.66 1n8j h HIS 78 Ca 0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1n8j h HIS 78 Cb -0.02 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 1n8j h HIS 78 CO -0.06 0.37 0.14 -0.22 0.86 0.00 0.00 177.93 179.03 1n8j h LYS 79 N 0.79 0.30 -0.81 2.45 3.64 -1.14 0.83 116.57 122.63 1n8j h LYS 79 Ca 0.35 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1n8j h LYS 79 Cb 0.24 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1n8j h LYS 79 CO -0.20 0.23 0.51 0.00 -2.27 0.00 0.00 179.45 177.72 1n8j h ALA 80 N 1.05 1.07 -0.47 5.00 0.00 -0.66 -2.18 119.26 123.08 1n8j h ALA 80 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1n8j h ALA 80 Cb -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1n8j h ALA 80 CO -0.02 0.31 -0.18 2.35 0.00 0.00 0.00 179.25 181.72 1n8j h TRP 81 N 0.98 1.04 -0.16 0.00 7.01 -0.66 -1.30 115.95 122.86 1n8j h TRP 81 Ca 0.33 -0.23 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1n8j h TRP 81 Cb 0.05 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1n8j h TRP 81 CO -0.03 1.01 0.03 1.25 -2.79 0.00 0.00 178.44 177.91 1n8j h HIS 82 N 0.80 0.22 0.01 2.65 2.76 -0.30 -0.26 115.15 121.04 1n8j h HIS 82 Ca 0.12 -0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 58.03 1n8j h HIS 82 Cb 0.72 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.57 1n8j h HIS 82 CO 0.04 0.22 -1.35 0.77 -1.30 0.00 0.00 177.93 176.31 1n8j h SER 83 N 0.23 0.03 0.65 3.26 0.02 -1.13 -3.28 113.55 113.33 1n8j h SER 83 Ca 0.06 -0.04 -0.27 0.00 -0.84 0.00 0.00 61.79 60.70 1n8j h SER 83 Cb 0.11 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1n8j h SER 83 CO -0.00 1.03 -1.46 0.77 -1.14 0.00 0.00 176.83 176.03 1n8j h SER 84 N 0.01 0.05 -3.20 3.07 4.64 -0.82 -3.47 113.55 113.83 1n8j h SER 84 Ca -0.15 -0.08 -0.66 0.00 -0.47 0.00 0.00 61.79 60.44 1n8j h SER 84 Cb 1.90 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.82 1n8j h SER 84 CO 0.11 1.07 -0.59 -0.55 -0.87 0.00 0.00 176.83 176.00 1n8j s SER 85 N -6.41 5.48 0.41 4.97 0.15 -0.15 -4.99 113.70 113.17 1n8j s SER 85 Ca -0.04 0.15 0.23 0.00 0.70 0.00 0.00 55.95 56.99 1n8j s SER 85 Cb 0.08 -1.73 0.68 0.00 -1.71 0.00 0.00 66.02 63.34 1n8j s SER 85 CO 0.82 0.31 1.72 -0.33 1.20 0.00 0.00 173.24 176.96 1n8j h GLU 86 N 5.70 0.00 0.12 5.44 4.39 -1.88 -1.07 114.58 127.27 1n8j h GLU 86 Ca -0.46 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.08 1n8j h GLU 86 Cb 1.19 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1n8j h GLU 86 CO 0.60 0.23 -0.72 1.15 -1.16 0.00 0.00 179.01 179.11 1n8j h THR 87 N 0.00 1.53 -0.09 1.13 2.02 -1.95 -3.27 112.91 112.28 1n8j h THR 87 Ca -0.00 -2.48 -0.07 0.00 0.77 0.00 0.00 66.41 64.63 1n8j h THR 87 Cb 0.91 3.17 -0.01 0.00 -1.74 0.00 0.00 68.15 70.47 1n8j h THR 87 CO 0.03 0.70 -0.24 0.40 0.37 0.00 0.00 175.52 176.78 1n8j h ILE 88 N -0.40 1.22 -0.11 3.11 1.08 -1.84 -2.61 117.51 117.95 1n8j h ILE 88 Ca -0.12 -1.02 0.03 0.00 -0.39 0.00 0.00 64.86 63.36 1n8j h ILE 88 Cb 1.56 1.42 -0.00 0.00 -3.07 0.00 0.00 36.82 36.72 1n8j h ILE 88 CO 0.14 0.30 0.11 0.00 -0.69 0.00 0.00 178.15 178.01 1n8j h ALA 89 N 1.61 1.83 -0.17 1.87 0.00 -1.24 -0.08 119.26 123.07 1n8j h ALA 89 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n8j h ALA 89 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n8j h ALA 89 CO 0.04 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.48 1n8j n LYS 90 N -4.04 1.47 -2.64 0.00 2.85 -0.98 -4.82 118.16 109.99 1n8j n LYS 90 Ca -0.00 -0.72 -0.43 0.00 -1.05 0.00 0.00 58.31 56.10 1n8j n LYS 90 Cb 0.22 -1.25 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 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 4.54 -1.86 0.58 1.01 -0.05 -4.90 121.20 118.74 1n8j s ILE 91 Ca 0.21 1.78 0.15 0.00 0.00 0.00 0.00 60.65 62.79 1n8j s ILE 91 Cb 0.11 -4.40 0.14 0.00 0.01 0.00 0.00 42.46 38.32 1n8j s ILE 91 CO 0.16 -0.43 1.01 0.29 0.00 0.00 0.00 174.94 175.96 1n8j n LYS 92 N 6.78 1.22 -2.66 2.79 5.02 -1.26 -4.69 118.16 125.36 1n8j n LYS 92 Ca 0.12 -1.46 -0.21 0.00 -2.02 0.00 0.00 58.31 54.74 1n8j n LYS 92 Cb 0.47 -1.30 0.04 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.25 2.75 0.20 2.13 -0.85 -1.26 -4.58 117.35 114.49 1n8j s TYR 93 Ca 0.19 -0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.37 1n8j s TYR 93 Cb 0.13 -2.74 -0.08 0.00 0.38 0.00 0.00 41.96 39.64 1n8j s TYR 93 CO 0.19 -0.91 1.24 0.00 -1.52 0.00 0.00 175.55 174.56 1n8j s ALA 94 N -2.76 3.47 -0.38 9.51 0.00 -1.21 -4.62 121.76 125.78 1n8j s ALA 94 Ca 0.58 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 53.51 1n8j s ALA 94 Cb -0.10 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.65 1n8j s ALA 94 CO 0.38 -0.44 0.16 -1.64 0.00 0.00 0.00 175.76 174.22 1n8j s MET 95 N -0.29 2.43 0.10 0.00 1.00 -0.03 -1.80 119.30 120.71 1n8j s MET 95 Ca 0.54 -1.44 -0.25 0.00 0.00 0.00 0.00 55.69 54.54 1n8j s MET 95 Cb -0.34 -3.55 -0.07 0.00 0.00 0.00 0.00 34.83 30.87 1n8j s MET 95 CO 0.38 -0.85 0.75 0.42 0.00 0.00 0.00 175.02 175.72 1n8j s ILE 96 N 1.32 4.56 -0.20 2.53 1.01 0.42 -0.41 121.20 130.43 1n8j s ILE 96 Ca 0.02 1.62 -0.09 0.00 0.00 0.00 0.00 60.65 62.20 1n8j s ILE 96 Cb -0.22 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1n8j s ILE 96 CO 0.00 0.46 0.11 -0.83 0.00 0.00 0.00 174.94 174.68 1n8j s GLY 97 N -0.67 1.96 -0.51 6.18 0.00 -0.49 -3.32 107.32 110.47 1n8j s GLY 97 Ca 0.36 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.37 1n8j s GLY 97 CO 0.24 0.19 0.91 1.34 0.00 0.00 0.00 173.10 175.77 1n8j n ASP 98 N 3.77 3.54 -0.05 1.64 2.03 -0.18 -4.23 116.55 123.08 1n8j n ASP 98 Ca -0.16 -3.50 0.14 0.00 0.52 0.00 0.00 54.79 51.79 1n8j n ASP 98 Cb 0.52 -0.57 0.56 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.27 0.00 -0.67 0.13 -1.68 -0.30 132.00 132.70 1n8j h PRO 99 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1n8j h PRO 99 Cb 0.66 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1n8j h PRO 99 CO 0.74 0.18 -0.00 0.25 -0.23 0.00 0.00 178.00 178.93 1n8j n THR 100 N -4.45 0.49 -0.89 1.56 -2.24 -1.26 -4.91 114.28 102.58 1n8j n THR 100 Ca 0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1n8j n THR 100 Cb 0.43 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1n8j n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8j n GLY 101 N 1.34 0.61 0.29 3.38 0.00 -0.12 -4.90 105.19 105.79 1n8j n GLY 101 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.98 -0.37 4.61 0.00 -1.91 0.13 119.26 122.69 1n8j h ALA 102 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1n8j h ALA 102 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1n8j h ALA 102 CO 0.00 0.30 0.02 1.25 0.00 0.00 0.00 179.25 180.82 1n8j h LEU 103 N 0.95 0.63 -0.96 0.00 6.46 -1.90 0.89 115.31 121.37 1n8j h LEU 103 Ca 0.30 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1n8j h LEU 103 Cb -0.01 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1n8j h LEU 103 CO -0.10 0.76 0.32 0.74 -0.62 0.00 0.00 178.44 179.54 1n8j h THR 104 N 0.47 1.24 0.00 1.05 2.02 -1.82 -2.09 112.91 113.78 1n8j h THR 104 Ca 0.11 -0.72 -0.12 0.00 0.77 0.00 0.00 66.41 66.45 1n8j h THR 104 Cb 0.43 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1n8j h THR 104 CO 0.01 0.30 -0.55 0.03 0.37 0.00 0.00 175.52 175.68 1n8j h ARG 105 N 1.05 0.00 -0.65 6.66 3.08 -0.44 -0.28 114.38 123.80 1n8j h ARG 105 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1n8j h ARG 105 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1n8j h ARG 105 CO -0.03 0.55 0.37 -0.91 -1.07 0.00 0.00 179.97 178.88 1n8j h ASN 106 N 0.00 0.79 -0.41 7.04 2.35 -0.15 -0.54 115.58 124.66 1n8j h ASN 106 Ca -0.01 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1n8j h ASN 106 Cb 1.19 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1n8j h ASN 106 CO 0.07 0.63 0.00 0.49 -1.65 0.00 0.00 177.43 176.97 1n8j n PHE 107 N -4.39 0.98 -4.15 1.19 3.72 -0.97 -4.87 117.46 108.98 1n8j n PHE 107 Ca 0.06 -0.39 -0.29 0.00 -0.05 0.00 0.00 57.45 56.79 1n8j n PHE 107 Cb 0.09 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.63 0.16 -1.17 4.37 2.03 -0.21 -4.86 116.55 117.49 1n8j n ASP 108 Ca 0.17 -1.14 0.03 0.00 0.52 0.00 0.00 54.79 54.36 1n8j n ASP 108 Cb 0.63 -2.32 0.11 0.00 -0.72 0.00 0.00 41.12 38.82 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 -2.92 1.62 -4.80 1.67 4.05 -0.15 -5.01 115.26 109.72 1n8j n ASN 109 Ca -0.30 -3.03 -0.36 0.00 0.45 0.00 0.00 54.58 51.34 1n8j n ASN 109 Cb 0.68 -0.42 -0.07 0.00 1.23 0.00 0.00 39.78 41.20 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 -1.99 3.55 -0.70 1.20 1.75 -1.26 -0.90 119.30 120.95 1n8j s MET 110 Ca 0.37 -0.21 -0.18 0.00 -1.25 0.00 0.00 55.69 54.41 1n8j s MET 110 Cb 0.38 -3.17 0.13 0.00 2.84 0.00 0.00 34.83 35.01 1n8j s MET 110 CO -0.10 0.63 0.79 1.03 -0.65 0.00 0.00 175.02 176.72 1n8j s ARG 111 N -0.62 3.25 0.33 4.11 0.52 0.31 -4.88 118.95 121.96 1n8j s ARG 111 Ca 0.12 -1.62 0.04 0.00 -0.52 0.00 0.00 55.73 53.75 1n8j s ARG 111 Cb -0.12 -4.42 0.67 0.00 0.52 0.00 0.00 34.95 31.60 1n8j s ARG 111 CO 0.02 -1.54 1.90 0.93 0.02 0.00 0.00 175.30 176.64 1n8j h GLU 112 N 8.85 0.84 0.00 3.54 4.39 -1.96 0.15 114.58 130.39 1n8j h GLU 112 Ca -0.14 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1n8j h GLU 112 Cb 1.07 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1n8j h GLU 112 CO 1.04 0.55 0.00 -0.40 -1.16 0.00 0.00 179.01 179.04 1n8j n ASP 113 N -4.52 0.00 0.00 1.42 5.68 -1.26 -3.41 116.55 114.46 1n8j n ASP 113 Ca 0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1n8j n ASP 113 Cb 0.30 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1n8j n GLU 114 N -1.26 1.61 -1.54 0.11 1.02 -0.48 -5.01 120.64 115.08 1n8j n GLU 114 Ca 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 1n8j n GLU 114 Cb 0.13 -0.87 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 1.87 0.64 3.32 0.62 0.00 0.42 -5.02 105.19 107.05 1n8j n GLY 115 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1n8j n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8j s LEU 116 N -1.84 2.34 0.36 0.99 1.43 -1.22 -4.76 118.68 115.98 1n8j s LEU 116 Ca 0.00 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.11 1n8j s LEU 116 Cb 0.00 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 45.17 1n8j s LEU 116 CO 0.00 0.07 1.00 0.00 0.23 0.00 0.00 176.35 177.64 1n8j s ALA 117 N -1.35 3.16 0.79 4.21 0.00 -1.26 -0.53 121.76 126.77 1n8j s ALA 117 Ca 0.11 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1n8j s ALA 117 Cb -0.09 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1n8j s ALA 117 CO 0.05 -0.01 1.09 -0.51 0.00 0.00 0.00 175.76 176.39 1n8j s ASP 118 N -1.60 4.57 -1.19 0.00 -0.00 -0.08 -3.05 116.67 115.32 1n8j s ASP 118 Ca 0.54 1.36 -0.21 0.00 -0.00 0.00 0.00 52.55 54.24 1n8j s ASP 118 Cb -0.20 -2.11 -0.02 0.00 -0.00 0.00 0.00 42.92 40.59 1n8j s ASP 118 CO 0.25 -1.93 1.83 -0.60 -0.00 0.00 0.00 175.17 174.73 1n8j s ARG 119 N -5.13 3.11 0.04 8.23 3.52 -1.26 -4.12 118.95 123.35 1n8j s ARG 119 Ca 0.60 -1.39 0.07 0.00 -0.13 0.00 0.00 55.73 54.88 1n8j s ARG 119 Cb -0.14 -5.34 -0.02 0.00 -1.56 0.00 0.00 34.95 27.88 1n8j s ARG 119 CO 0.54 -3.20 -0.20 0.00 -0.81 0.00 0.00 175.30 171.63 1n8j s ALA 120 N 8.11 1.72 -0.06 6.12 0.00 -1.20 -1.29 121.76 135.16 1n8j s ALA 120 Ca 0.62 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1n8j s ALA 120 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1n8j s ALA 120 CO 0.09 0.38 -0.24 0.99 0.00 0.00 0.00 175.76 176.98 1n8j s THR 121 N -0.81 1.98 -0.10 0.00 2.01 0.10 -0.40 115.64 118.42 1n8j s THR 121 Ca 0.07 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1n8j s THR 121 Cb -0.09 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.75 1n8j s THR 121 CO 0.02 0.55 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.99 1n8j s PHE 122 N -0.03 1.92 -0.25 4.92 0.40 -0.44 -1.62 117.98 122.87 1n8j s PHE 122 Ca -0.07 -0.88 -0.11 0.00 -0.60 0.00 0.00 56.93 55.27 1n8j s PHE 122 Cb -0.14 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.95 1n8j s PHE 122 CO 0.05 -0.45 0.20 0.08 0.70 0.00 0.00 175.22 175.79 1n8j s VAL 123 N 0.96 5.32 -0.10 -0.44 1.01 -0.10 -1.55 120.40 125.50 1n8j s VAL 123 Ca -0.07 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1n8j s VAL 123 Cb -0.15 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1n8j s VAL 123 CO -0.01 0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.46 1n8j s VAL 124 N 1.39 2.09 0.81 2.92 1.01 0.95 -0.18 120.40 129.39 1n8j s VAL 124 Ca 0.08 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1n8j s VAL 124 Cb -0.15 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.54 1n8j s VAL 124 CO 0.07 0.56 1.15 1.51 0.00 0.00 0.00 175.10 178.40 1n8j s ASP 125 N 0.36 4.24 0.58 3.32 1.47 0.12 -0.17 116.67 126.59 1n8j s ASP 125 Ca -0.18 0.48 0.30 0.00 1.18 0.00 0.00 52.55 54.33 1n8j s ASP 125 Cb -0.18 -0.90 1.43 0.00 -0.34 0.00 0.00 42.92 42.94 1n8j s ASP 125 CO 0.08 -2.02 1.83 -0.65 0.68 0.00 0.00 175.17 175.10 1n8j h PRO 126 N -1.03 0.00 -0.42 2.11 0.11 -1.73 0.22 132.00 131.26 1n8j h PRO 126 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n8j h PRO 126 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 126 CO 0.56 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.39 1n8j n GLN 127 N -3.82 2.01 -0.97 1.05 3.00 -1.26 -0.90 117.38 116.48 1n8j n GLN 127 Ca 0.14 -1.56 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 1n8j n GLN 127 Cb 0.87 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.76 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 1.20 0.51 3.70 1.08 0.00 0.77 -4.93 105.19 107.52 1n8j n GLY 128 Ca 0.15 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 5.20 -0.21 -0.61 -1.09 -1.25 -1.11 121.20 120.13 1n8j s ILE 129 Ca 0.00 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 58.96 1n8j s ILE 129 Cb 0.00 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1n8j s ILE 129 CO 0.00 0.30 1.53 -0.63 -1.23 0.00 0.00 174.94 174.91 1n8j s ILE 130 N 0.91 3.82 -0.99 2.92 1.01 -0.62 -0.70 121.20 127.54 1n8j s ILE 130 Ca 0.22 0.93 0.17 0.00 0.00 0.00 0.00 60.65 61.97 1n8j s ILE 130 Cb -0.15 -3.79 -0.13 0.00 0.01 0.00 0.00 42.46 38.40 1n8j s ILE 130 CO 0.09 -0.29 0.75 0.00 0.00 0.00 0.00 174.94 175.49 1n8j n GLN 131 N 7.45 1.58 -3.62 2.79 1.13 0.75 -0.90 117.38 126.55 1n8j n GLN 131 Ca 0.17 -0.22 -0.13 0.00 -1.94 0.00 0.00 57.00 54.88 1n8j n GLN 131 Cb 0.45 -1.29 -0.07 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 -2.41 -1.83 0.02 -1.58 0.00 -1.22 -4.96 121.76 109.77 1n8j s ALA 132 Ca 0.08 1.89 0.01 0.00 0.00 0.00 0.00 51.96 53.94 1n8j s ALA 132 Cb 0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1n8j s ALA 132 CO 0.61 -0.32 -0.04 0.42 0.00 0.00 0.00 175.76 176.44 1n8j s ILE 133 N 0.10 0.24 -0.10 0.00 1.01 -1.26 -0.92 121.20 120.27 1n8j s ILE 133 Ca -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1n8j s ILE 133 Cb -0.04 -0.30 0.04 0.00 0.01 0.00 0.00 42.46 42.17 1n8j s ILE 133 CO 0.00 -0.27 0.23 -0.70 0.00 0.00 0.00 174.94 174.20 1n8j s GLU 134 N -0.98 0.20 -0.04 2.79 2.12 -0.64 -4.98 118.70 117.18 1n8j s GLU 134 Ca -0.08 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.74 1n8j s GLU 134 Cb -0.07 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.25 1n8j s GLU 134 CO -0.00 -0.15 -0.03 0.08 -0.54 0.00 0.00 175.26 174.62 1n8j s VAL 135 N 1.11 0.39 0.27 3.70 1.01 -1.26 0.01 120.40 125.62 1n8j s VAL 135 Ca -0.08 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1n8j s VAL 135 Cb -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1n8j s VAL 135 CO -0.07 0.19 -0.12 0.42 0.00 0.00 0.00 175.10 175.53 1n8j s THR 136 N 0.96 1.92 0.87 3.92 -4.23 -0.41 -5.01 115.64 113.67 1n8j s THR 136 Ca -0.11 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.08 1n8j s THR 136 Cb -0.14 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.48 1n8j s THR 136 CO -0.01 -0.39 1.10 0.00 -0.54 0.00 0.00 174.62 174.78 1n8j s ALA 137 N -2.84 1.65 0.33 3.99 0.00 -1.26 -4.04 121.76 119.59 1n8j s ALA 137 Ca 0.28 0.16 0.11 0.00 0.00 0.00 0.00 51.96 52.51 1n8j s ALA 137 Cb 0.01 -3.27 1.01 0.00 0.00 0.00 0.00 23.12 20.86 1n8j s ALA 137 CO 0.12 -2.31 1.63 1.49 0.00 0.00 0.00 175.76 176.68 1n8j h GLU 138 N -1.53 0.17 -0.60 0.00 4.57 -2.00 -1.60 114.58 113.60 1n8j h GLU 138 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1n8j h GLU 138 Cb 1.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1n8j h GLU 138 CO 0.51 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 178.86 1n8j n GLY 139 N -1.33 2.14 3.39 1.92 0.00 -1.26 -4.88 105.19 105.16 1n8j n GLY 139 Ca 0.29 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.21 4.19 0.19 -0.61 1.01 -0.60 -5.07 121.20 119.09 1n8j s ILE 140 Ca 0.45 -0.50 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 1n8j s ILE 140 Cb 0.24 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 1n8j s ILE 140 CO 0.33 0.15 0.84 -0.83 0.00 0.00 0.00 174.94 175.43 1n8j s GLY 141 N 1.55 3.00 0.83 6.18 0.00 -1.26 -4.58 107.32 113.05 1n8j s GLY 141 Ca 0.04 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.11 1n8j s GLY 141 CO 0.03 1.02 1.12 0.50 0.00 0.00 0.00 173.10 175.77 1n8j s ARG 142 N -1.09 1.78 -0.23 2.90 0.52 -1.26 -5.06 118.95 116.52 1n8j s ARG 142 Ca 0.38 0.47 0.01 0.00 -0.52 0.00 0.00 55.73 56.07 1n8j s ARG 142 Cb -0.24 -1.90 0.06 0.00 0.52 0.00 0.00 34.95 33.39 1n8j s ARG 142 CO 0.28 -1.79 -0.07 0.34 0.02 0.00 0.00 175.30 174.09 1n8j s ASP 143 N -4.02 3.83 0.48 0.23 2.15 -1.26 -4.90 116.67 113.17 1n8j s ASP 143 Ca 0.62 -1.15 0.18 0.00 0.43 0.00 0.00 52.55 52.63 1n8j s ASP 143 Cb -0.14 -1.22 1.19 0.00 -0.30 0.00 0.00 42.92 42.45 1n8j s ASP 143 CO 0.53 -0.22 1.99 0.00 -0.17 0.00 0.00 175.17 177.31 1n8j h ALA 144 N 7.94 2.20 -0.04 3.66 0.00 -1.93 -0.36 119.26 130.74 1n8j h ALA 144 Ca -0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1n8j h ALA 144 Cb 1.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1n8j h ALA 144 CO 0.42 -0.34 -0.08 0.66 0.00 0.00 0.00 179.25 179.92 1n8j h SER 145 N 0.23 0.05 0.02 0.00 4.64 -1.95 -1.52 113.55 115.02 1n8j h SER 145 Ca 0.25 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 1n8j h SER 145 Cb 0.70 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1n8j h SER 145 CO -0.05 0.14 -0.60 0.44 -0.87 0.00 0.00 176.83 175.89 1n8j h ASP 146 N 0.05 0.66 0.30 4.97 3.45 -1.50 -2.87 116.42 121.48 1n8j h ASP 146 Ca 0.01 -0.37 -0.01 0.00 0.43 0.00 0.00 57.03 57.09 1n8j h ASP 146 Cb 0.18 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1n8j h ASP 146 CO 0.01 1.11 -0.14 0.25 -1.57 0.00 0.00 179.24 178.89 1n8j h LEU 147 N 0.43 -0.34 -0.98 1.55 5.85 -1.27 -2.72 115.31 117.83 1n8j h LEU 147 Ca -0.00 -0.05 0.19 0.00 0.84 0.00 0.00 57.88 58.86 1n8j h LEU 147 Cb 1.17 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.17 1n8j h LEU 147 CO 0.11 -0.17 0.58 -0.07 -0.34 0.00 0.00 178.44 178.55 1n8j h LEU 148 N -0.49 0.72 -0.67 2.25 3.38 -1.29 0.41 115.31 119.61 1n8j h LEU 148 Ca -0.04 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1n8j h LEU 148 Cb 0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1n8j h LEU 148 CO 0.07 0.23 -0.03 -0.09 0.09 0.00 0.00 178.44 178.71 1n8j h ARG 149 N 0.71 1.00 -0.31 1.13 2.43 -1.37 -1.24 114.38 116.73 1n8j h ARG 149 Ca 0.57 -0.32 -0.17 0.00 -0.81 0.00 0.00 59.98 59.25 1n8j h ARG 149 Cb 0.92 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1n8j h ARG 149 CO -0.40 1.00 -0.47 0.87 -1.51 0.00 0.00 179.97 179.46 1n8j h LYS 150 N 0.91 0.86 -0.17 0.20 1.57 -0.72 -1.87 116.57 117.34 1n8j h LYS 150 Ca 0.16 -0.51 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1n8j h LYS 150 Cb 0.57 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1n8j h LYS 150 CO 0.03 1.15 0.07 0.82 -0.57 0.00 0.00 179.45 180.95 1n8j h ILE 151 N 0.64 0.98 -0.61 1.86 2.04 -0.89 0.23 117.51 121.76 1n8j h ILE 151 Ca 0.03 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1n8j h ILE 151 Cb 1.07 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1n8j h ILE 151 CO 0.11 0.03 0.24 0.11 0.00 0.00 0.00 178.15 178.64 1n8j h LYS 152 N 0.16 0.89 -0.08 2.37 1.57 -1.17 0.17 116.57 120.47 1n8j h LYS 152 Ca 0.07 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1n8j h LYS 152 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1n8j h LYS 152 CO -0.06 0.73 0.02 0.00 -0.57 0.00 0.00 179.45 179.56 1n8j h ALA 153 N 1.39 0.11 -0.55 3.86 0.00 -0.84 -0.93 119.26 122.31 1n8j h ALA 153 Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n8j h ALA 153 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1n8j h ALA 153 CO -0.02 -0.25 0.36 0.00 0.00 0.00 0.00 179.25 179.34 1n8j h ALA 154 N 0.79 0.70 -0.07 0.00 0.00 -0.05 -1.29 119.26 119.33 1n8j h ALA 154 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1n8j h ALA 154 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n8j h ALA 154 CO 0.00 0.12 -0.17 1.96 0.00 0.00 0.00 179.25 181.16 1n8j h GLN 155 N 0.73 0.12 -0.11 0.00 4.20 -0.57 -2.24 115.11 117.23 1n8j h GLN 155 Ca 0.21 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 1n8j h GLN 155 Cb -0.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1n8j h GLN 155 CO -0.05 0.30 -0.25 -0.92 -0.67 0.00 0.00 178.83 177.23 1n8j h TYR 156 N 0.11 0.48 0.00 2.96 3.20 -0.16 -2.37 116.97 121.20 1n8j h TYR 156 Ca 0.02 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.66 1n8j h TYR 156 Cb 0.38 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1n8j h TYR 156 CO 0.00 0.87 -0.24 -0.39 -1.64 0.00 0.00 178.16 176.76 1n8j h VAL 157 N -0.05 0.78 -0.17 1.81 -1.51 -1.13 -0.58 116.25 115.40 1n8j h VAL 157 Ca 0.00 -0.98 -0.15 0.00 -1.23 0.00 0.00 66.70 64.34 1n8j h VAL 157 Cb 0.85 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1n8j h VAL 157 CO 0.06 0.24 -0.51 0.00 -1.23 0.00 0.00 177.57 176.12 1n8j h ALA 158 N 1.76 0.80 -0.01 5.19 0.00 -1.36 -3.01 119.26 122.62 1n8j h ALA 158 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n8j h ALA 158 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n8j h ALA 158 CO 0.03 0.68 -0.21 0.00 0.00 0.00 0.00 179.25 179.75 1n8j n ALA 159 N -2.50 2.98 -3.30 0.00 0.00 -0.89 -4.52 120.51 112.28 1n8j n ALA 159 Ca -0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.72 1n8j n ALA 159 Cb 0.58 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.33 0.19 -1.70 0.00 -0.00 -0.28 -5.08 115.22 108.03 1n8j n HIS 160 Ca 0.14 -3.61 -0.43 0.00 -0.00 0.00 0.00 57.72 53.82 1n8j n HIS 160 Cb 0.37 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.99 30.10 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 1.69 2.16 -0.02 -0.41 -0.02 -1.24 -1.56 135.00 135.61 1n8j n PRO 161 Ca 0.24 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1n8j n PRO 161 Cb 0.49 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1n8j n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8j n GLY 162 N 0.82 0.83 3.51 -1.23 0.00 -1.26 -5.04 105.19 102.81 1n8j n GLY 162 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.72 1.83 -0.00 1.61 2.02 -0.60 -3.69 118.70 119.16 1n8j s GLU 163 Ca 0.00 -1.36 -0.03 0.00 0.02 0.00 0.00 54.97 53.60 1n8j s GLU 163 Cb 0.00 -2.04 -0.00 0.00 0.10 0.00 0.00 34.13 32.19 1n8j s GLU 163 CO 0.00 0.42 0.05 0.14 0.02 0.00 0.00 175.26 175.90 1n8j s VAL 164 N -1.66 0.06 -0.26 2.63 -7.23 -0.07 -4.80 120.40 109.07 1n8j s VAL 164 Ca 0.23 -0.51 -0.20 0.00 -1.81 0.00 0.00 61.98 59.69 1n8j s VAL 164 Cb -0.09 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 1n8j s VAL 164 CO 0.13 -0.28 0.60 0.00 -0.31 0.00 0.00 175.10 175.24 1n8j s PRO 166 N 2.47 -1.29 0.32 0.00 0.02 -1.26 -4.86 135.00 130.39 1n8j s PRO 166 Ca 0.25 0.42 -0.29 0.00 0.02 0.00 0.00 61.00 61.40 1n8j s PRO 166 Cb -0.15 -1.54 -0.12 0.00 0.02 0.00 0.00 34.50 32.70 1n8j s PRO 166 CO 0.09 -3.86 1.44 0.00 -0.33 0.00 0.00 177.00 174.34 1n8j n ALA 167 N -4.96 1.84 -0.77 -1.55 0.00 -1.26 -1.86 120.51 111.95 1n8j n ALA 167 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1n8j n ALA 167 Cb 0.57 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.23 -0.26 -1.56 0.00 5.02 -1.26 -4.95 118.16 116.39 1n8j n LYS 168 Ca 0.06 0.06 -0.48 0.00 -2.02 0.00 0.00 58.31 55.94 1n8j n LYS 168 Cb 0.36 -3.78 -0.03 0.00 -0.02 0.00 0.00 35.03 31.56 1n8j n LYS 168 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1n8j n TRP 169 N -2.09 1.09 -4.17 2.13 -0.00 -0.78 -5.00 117.44 108.62 1n8j n TRP 169 Ca 0.00 0.73 -0.15 0.00 -0.00 0.00 0.00 57.50 58.08 1n8j n TRP 169 Cb 0.06 -2.23 -0.11 0.00 -0.00 0.00 0.00 31.31 29.03 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -0.80 0.83 0.13 5.87 1.02 -1.26 -4.93 119.74 120.60 1n8j s LYS 170 Ca 0.68 -1.12 -0.35 0.00 0.02 0.00 0.00 55.97 55.20 1n8j s LYS 170 Cb -0.82 -0.55 -0.15 0.00 -0.52 0.00 0.00 37.83 35.79 1n8j s LYS 170 CO 0.55 0.09 1.49 0.39 -0.92 0.00 0.00 175.35 176.95 1n8j n GLU 171 N 0.67 1.77 0.00 1.68 1.02 -1.26 -1.54 120.64 122.98 1n8j n GLU 171 Ca -0.17 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1n8j n GLU 171 Cb 0.57 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 172 N 3.07 2.15 3.78 0.62 0.00 -1.26 -5.07 105.19 108.48 1n8j n GLY 172 Ca 0.17 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.15 0.31 1.61 2.02 -0.59 -5.00 118.70 118.19 1n8j s GLU 173 Ca 0.00 0.33 -0.28 0.00 0.02 0.00 0.00 54.97 55.04 1n8j s GLU 173 Cb 0.00 -1.84 -0.09 0.00 0.10 0.00 0.00 34.13 32.30 1n8j s GLU 173 CO 0.00 -2.20 1.13 0.00 0.02 0.00 0.00 175.26 174.20 1n8j s ALA 174 N -3.24 3.37 0.55 5.21 0.00 -1.26 -4.93 121.76 121.45 1n8j s ALA 174 Ca 0.64 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.60 1n8j s ALA 174 Cb -0.15 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1n8j s ALA 174 CO 0.54 -0.26 0.55 0.25 0.00 0.00 0.00 175.76 176.84 1n8j n THR 175 N 0.93 0.00 -5.04 0.00 -2.24 -1.26 -4.68 114.28 101.98 1n8j n THR 175 Ca 0.00 -2.04 -0.31 0.00 -2.27 0.00 0.00 64.05 59.42 1n8j n THR 175 Cb 0.45 -0.22 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 1n8j n THR 175 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n8j s LEU 176 N 0.00 2.30 -0.43 3.22 1.43 -0.28 -4.96 118.68 119.95 1n8j s LEU 176 Ca 0.42 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1n8j s LEU 176 Cb -0.03 -1.40 0.12 0.00 0.03 0.00 0.00 46.19 44.90 1n8j s LEU 176 CO 0.27 0.30 0.20 0.00 0.23 0.00 0.00 176.35 177.35 1n8j s ALA 177 N -0.72 3.16 0.38 4.21 0.00 -1.26 -0.89 121.76 126.64 1n8j s ALA 177 Ca 0.11 -2.70 -0.26 0.00 0.00 0.00 0.00 51.96 49.12 1n8j s ALA 177 Cb -0.10 -2.32 -0.12 0.00 0.00 0.00 0.00 23.12 20.59 1n8j s ALA 177 CO 0.01 -1.83 1.04 -2.30 0.00 0.00 0.00 175.76 172.68 1n8j n PRO 178 N 4.24 1.44 -3.69 0.00 -0.02 -1.24 -4.93 135.00 130.80 1n8j n PRO 178 Ca 0.01 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1n8j n PRO 178 Cb 0.40 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N -0.65 -0.17 0.09 2.55 1.04 -1.26 -5.03 113.70 110.28 1n8j s SER 179 Ca 0.61 -0.28 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 1n8j s SER 179 Cb -0.59 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 65.84 1n8j s SER 179 CO 0.58 -0.70 1.55 0.25 0.98 0.00 0.00 173.24 175.90 1n8j h LEU 180 N 2.00 0.44 -1.54 2.42 6.46 -1.99 -3.05 115.31 120.05 1n8j h LEU 180 Ca -0.25 -0.28 0.06 0.00 -0.12 0.00 0.00 57.88 57.29 1n8j h LEU 180 Cb 1.22 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1n8j h LEU 180 CO 0.27 0.61 0.39 -0.78 -0.62 0.00 0.00 178.44 178.31 1n8j h ASP 181 N 0.25 0.49 1.08 1.25 1.82 -1.98 -1.74 116.42 117.59 1n8j h ASP 181 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1n8j h ASP 181 Cb 0.37 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1n8j h ASP 181 CO 0.01 0.32 0.00 0.25 -1.61 0.00 0.00 179.24 178.21 1n8j h LEU 182 N 0.56 0.00 -9.45 2.28 6.46 -1.89 -3.42 115.31 109.84 1n8j h LEU 182 Ca 0.25 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.48 1n8j h LEU 182 Cb 0.28 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1n8j h LEU 182 CO -0.07 0.00 1.17 -0.69 -0.62 0.00 0.00 178.44 178.22 1n8j s VAL 183 N -3.39 2.72 0.00 1.05 1.01 -0.66 -1.62 120.40 119.51 1n8j s VAL 183 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1n8j s VAL 183 Cb 0.09 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1n8j s VAL 183 CO 0.50 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1n8j n GLY 184 N 4.37 1.16 0.11 4.51 0.00 -1.26 -4.87 105.19 109.21 1n8j n GLY 184 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 1.99 0.27 0.00 1.61 1.79 -1.57 -3.55 116.57 117.11 1n8j h LYS 185 Ca 0.00 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1n8j h LYS 185 Cb 0.00 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1n8j h LYS 185 CO 0.00 1.13 0.00 -0.89 -1.08 0.00 0.00 179.45 178.61