#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njf h LEU 6 N 0.00 0.88 -0.41 1.34 3.38 -1.98 -1.03 115.31 117.49 1njf h LEU 6 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1njf h LEU 6 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1njf h LEU 6 CO 0.00 0.47 0.24 0.00 0.09 0.00 0.00 178.44 179.24 1njf h ALA 7 N 1.55 0.52 -0.01 1.53 0.00 -1.93 0.22 119.26 121.15 1njf h ALA 7 Ca 0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 1njf h ALA 7 Cb 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1njf h ALA 7 CO -0.25 -0.09 -0.67 -0.09 0.00 0.00 0.00 179.25 178.16 1njf h ARG 8 N 0.49 0.46 -0.59 0.00 9.65 -1.92 -3.26 114.38 119.21 1njf h ARG 8 Ca 0.17 -0.49 -0.02 0.00 -1.10 0.00 0.00 59.98 58.53 1njf h ARG 8 Cb 0.01 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1njf h ARG 8 CO -0.08 1.14 0.27 -0.22 2.80 0.00 0.00 179.97 183.88 1njf h LYS 9 N -0.02 0.84 -0.94 0.20 3.64 -1.10 -2.93 116.57 116.26 1njf h LYS 9 Ca -0.08 -0.11 -0.63 0.00 -1.27 0.00 0.00 60.65 58.56 1njf h LYS 9 Cb 1.37 -0.16 -0.30 0.00 -0.41 0.00 0.00 32.23 32.73 1njf h LYS 9 CO 0.13 0.67 0.59 0.91 -2.27 0.00 0.00 179.45 179.48 1njf n TRP 10 N -4.35 3.08 -2.67 1.91 7.02 0.75 -4.96 117.44 118.22 1njf n TRP 10 Ca 0.05 -2.75 -0.42 0.00 -1.02 0.00 0.00 57.50 53.37 1njf n TRP 10 Cb 0.14 -1.22 -0.04 0.00 -2.42 0.00 0.00 31.31 27.78 1njf n TRP 10 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1njf s ARG 11 N -3.72 4.61 -0.22 -0.99 3.52 -1.11 -4.95 118.95 116.09 1njf s ARG 11 Ca 0.62 1.50 -0.35 0.00 -0.13 0.00 0.00 55.73 57.36 1njf s ARG 11 Cb 0.49 -3.40 -0.12 0.00 -1.56 0.00 0.00 34.95 30.37 1njf s ARG 11 CO 0.01 0.06 1.98 -2.30 -0.81 0.00 0.00 175.30 174.24 1njf n PRO 12 N 3.27 1.59 0.01 5.12 -0.02 -1.26 -4.89 135.00 138.82 1njf n PRO 12 Ca 0.04 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1njf n PRO 12 Cb 0.49 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1njf n PRO 12 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1njf n GLN 13 N 7.07 0.38 -4.19 -0.52 1.13 -1.26 -4.85 117.38 115.13 1njf n GLN 13 Ca 0.30 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.17 1njf n GLN 13 Cb 0.25 -1.54 -0.10 0.00 0.11 0.00 0.00 30.24 28.95 1njf n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1njf s THR 14 N -3.28 0.31 0.47 5.09 -4.23 -1.26 -4.90 115.64 107.84 1njf s THR 14 Ca -0.00 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 1njf s THR 14 Cb 0.14 -2.09 0.22 0.00 1.34 0.00 0.00 72.50 72.12 1njf s THR 14 CO 0.87 -0.45 2.05 -0.26 -0.54 0.00 0.00 174.62 176.28 1njf h PHE 15 N 2.79 0.00 -0.01 3.99 -1.00 -1.94 -2.35 116.94 118.43 1njf h PHE 15 Ca -0.36 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.29 1njf h PHE 15 Cb 1.20 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.74 1njf h PHE 15 CO 0.47 0.12 -0.62 0.00 -1.61 0.00 0.00 178.31 176.66 1njf h ALA 16 N 1.88 0.95 0.00 2.45 0.00 -1.96 -2.92 119.26 119.67 1njf h ALA 16 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1njf h ALA 16 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1njf h ALA 16 CO 0.02 0.77 0.00 -0.44 0.00 0.00 0.00 179.25 179.60 1njf h ASP 17 N 0.02 0.00 -3.43 0.00 3.32 -1.83 -3.43 116.42 111.07 1njf h ASP 17 Ca -0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 1njf h ASP 17 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1njf h ASP 17 CO 0.08 0.00 0.41 -0.69 -1.72 0.00 0.00 179.24 177.32 1njf s VAL 18 N -3.43 4.56 0.01 -1.35 1.01 -1.10 -4.84 120.40 115.25 1njf s VAL 18 Ca 0.03 1.93 -0.03 0.00 0.00 0.00 0.00 61.98 63.91 1njf s VAL 18 Cb 0.09 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1njf s VAL 18 CO 0.45 0.20 0.21 0.68 0.00 0.00 0.00 175.10 176.64 1njf s VAL 19 N 0.66 5.39 -1.00 2.92 -7.23 -1.26 -4.65 120.40 115.24 1njf s VAL 19 Ca 0.52 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1njf s VAL 19 Cb -0.24 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1njf s VAL 19 CO 0.29 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 1njf n GLY 20 N 0.89 0.89 2.19 2.32 0.00 -1.26 -4.87 105.19 105.35 1njf n GLY 20 Ca -0.10 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1njf n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1njf n GLN 21 N -0.52 3.53 -0.17 1.61 1.13 -1.26 -4.67 117.38 117.03 1njf n GLN 21 Ca -0.09 -4.28 -0.05 0.00 -1.94 0.00 0.00 57.00 50.64 1njf n GLN 21 Cb 0.58 -2.26 0.01 0.00 0.11 0.00 0.00 30.24 28.68 1njf n GLN 21 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1njf h GLU 22 N 2.32 -0.15 -0.53 -1.09 3.07 -1.92 0.37 114.58 116.66 1njf h GLU 22 Ca 0.34 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 1njf h GLU 22 Cb 1.32 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.25 1njf h GLU 22 CO 0.79 -0.10 0.14 0.45 -1.40 0.00 0.00 179.01 178.88 1njf h HIS 23 N -0.16 0.88 -0.16 4.33 3.86 -1.99 -0.29 115.15 121.62 1njf h HIS 23 Ca 0.23 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1njf h HIS 23 Cb 0.52 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1njf h HIS 23 CO -0.57 0.77 -0.01 0.28 0.86 0.00 0.00 177.93 179.26 1njf h VAL 24 N 0.74 1.26 -0.68 2.45 2.07 -1.76 -2.68 116.25 117.65 1njf h VAL 24 Ca 0.17 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1njf h VAL 24 Cb 0.32 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1njf h VAL 24 CO 0.00 0.26 0.43 -0.07 0.02 0.00 0.00 177.57 178.21 1njf h LEU 25 N 0.02 0.73 -0.50 2.57 4.07 -0.17 -0.34 115.31 121.69 1njf h LEU 25 Ca 0.04 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1njf h LEU 25 Cb 0.39 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1njf h LEU 25 CO 0.01 0.52 0.04 0.74 -1.08 0.00 0.00 178.44 178.67 1njf h THR 26 N 0.87 1.26 -0.02 0.22 2.02 -1.04 -1.07 112.91 115.15 1njf h THR 26 Ca 0.26 -1.01 -0.14 0.00 0.77 0.00 0.00 66.41 66.29 1njf h THR 26 Cb -0.03 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1njf h THR 26 CO -0.08 0.36 -0.64 0.00 0.37 0.00 0.00 175.52 175.52 1njf h ALA 27 N 0.95 0.90 -0.08 6.16 0.00 -1.29 -1.85 119.26 124.05 1njf h ALA 27 Ca 0.15 -0.58 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 1njf h ALA 27 Cb 0.46 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1njf h ALA 27 CO 0.02 0.78 -0.76 1.25 0.00 0.00 0.00 179.25 180.54 1njf h LEU 28 N 0.05 0.80 -0.16 0.00 6.46 -0.90 -2.73 115.31 118.83 1njf h LEU 28 Ca -0.01 -0.68 -0.17 0.00 -0.12 0.00 0.00 57.88 56.90 1njf h LEU 28 Cb 1.14 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1njf h LEU 28 CO 0.09 1.36 -0.57 0.00 -0.62 0.00 0.00 178.44 178.70 1njf h ALA 29 N 0.46 0.29 -0.85 1.25 0.00 -1.23 -2.60 119.26 116.57 1njf h ALA 29 Ca -0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1njf h ALA 29 Cb 1.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1njf h ALA 29 CO 0.15 0.51 0.52 -0.97 0.00 0.00 0.00 179.25 179.46 1njf h ASN 30 N 0.35 1.02 -0.67 0.00 -0.00 -1.43 0.26 115.58 115.12 1njf h ASN 30 Ca -0.03 -0.06 -0.05 0.00 -0.00 0.00 0.00 56.30 56.16 1njf h ASN 30 Cb 1.19 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 39.23 1njf h ASN 30 CO 0.12 0.79 0.21 1.23 -0.00 0.00 0.00 177.43 179.77 1njf h GLY 31 N 1.17 1.12 0.78 1.57 0.00 -1.48 0.82 103.07 107.04 1njf h GLY 31 Ca 0.31 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1njf h GLY 31 CO -0.06 0.62 0.01 1.41 0.00 0.00 0.00 176.54 178.52 1njf h LEU 32 N 0.97 0.10 -1.40 3.11 3.38 -0.99 0.57 115.31 121.06 1njf h LEU 32 Ca 0.22 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1njf h LEU 32 Cb 0.30 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1njf h LEU 32 CO -0.01 0.33 0.46 0.28 0.09 0.00 0.00 178.44 179.59 1njf h SER 33 N -0.13 0.65 -0.19 -0.43 0.02 -0.29 -0.59 113.55 112.59 1njf h SER 33 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1njf h SER 33 Cb 0.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1njf h SER 33 CO 0.00 0.43 0.00 0.18 -1.14 0.00 0.00 176.83 176.30 1njf n LEU 34 N -4.47 1.37 -0.01 5.07 4.77 0.26 -4.92 117.00 119.07 1njf n LEU 34 Ca 0.10 -0.62 -0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1njf n LEU 34 Cb 0.20 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1njf n LEU 34 CO 0.34 0.31 -0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1njf n GLY 35 N 1.01 0.37 3.53 -0.72 0.00 -0.23 -4.96 105.19 104.19 1njf n GLY 35 Ca 0.13 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1njf n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1njf s ARG 36 N -0.65 3.50 -0.12 1.61 0.52 0.14 -4.99 118.95 118.97 1njf s ARG 36 Ca 0.00 -1.10 -0.06 0.00 -0.52 0.00 0.00 55.73 54.05 1njf s ARG 36 Cb 0.00 -5.02 -0.04 0.00 0.52 0.00 0.00 34.95 30.41 1njf s ARG 36 CO 0.00 -2.09 0.11 0.42 0.02 0.00 0.00 175.30 173.76 1njf s ILE 37 N 4.58 5.21 0.32 1.52 -1.09 -1.26 -4.50 121.20 125.97 1njf s ILE 37 Ca 0.40 0.10 0.09 0.00 -2.23 0.00 0.00 60.65 59.01 1njf s ILE 37 Cb -0.03 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1njf s ILE 37 CO -0.05 0.60 0.00 -1.00 -1.23 0.00 0.00 174.94 173.27 1njf s HIS 38 N -0.89 2.58 0.15 3.97 3.76 -1.26 -5.04 115.29 118.56 1njf s HIS 38 Ca 0.14 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.66 1njf s HIS 38 Cb -0.12 -1.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1njf s HIS 38 CO 0.03 0.52 1.35 0.45 -0.85 0.00 0.00 174.74 176.24 1njf h HIS 39 N 1.84 0.48 -3.66 1.40 3.86 -1.90 -3.46 115.15 113.71 1njf h HIS 39 Ca -0.43 -0.26 -0.19 0.00 -1.16 0.00 0.00 60.37 58.33 1njf h HIS 39 Cb 1.25 -0.06 -0.25 0.00 1.06 0.00 0.00 27.41 29.42 1njf h HIS 39 CO 0.70 1.06 -0.63 0.00 0.86 0.00 0.00 177.93 179.92 1njf s ALA 40 N -3.29 -0.12 0.02 2.45 0.00 -1.26 -1.56 121.76 118.00 1njf s ALA 40 Ca -0.05 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1njf s ALA 40 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1njf s ALA 40 CO 0.85 -0.09 -0.19 0.71 0.00 0.00 0.00 175.76 177.04 1njf s TYR 41 N -0.54 1.70 -0.03 0.00 1.51 -0.18 -1.75 117.35 118.06 1njf s TYR 41 Ca -0.06 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.71 1njf s TYR 41 Cb -0.04 -1.04 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 1njf s TYR 41 CO 0.00 0.04 -0.22 -1.17 -1.11 0.00 0.00 175.55 173.09 1njf s LEU 42 N -0.91 2.03 -0.21 -1.29 0.20 -0.50 -0.54 118.68 117.47 1njf s LEU 42 Ca 0.07 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.48 1njf s LEU 42 Cb -0.08 -1.16 0.05 0.00 -0.43 0.00 0.00 46.19 44.57 1njf s LEU 42 CO 0.01 0.26 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.90 1njf s PHE 43 N -0.41 2.21 0.35 5.38 0.08 0.13 -1.48 117.98 124.24 1njf s PHE 43 Ca 0.06 -1.55 0.09 0.00 0.12 0.00 0.00 56.93 55.64 1njf s PHE 43 Cb -0.10 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1njf s PHE 43 CO 0.00 -0.73 0.04 -1.54 -0.10 0.00 0.00 175.22 172.89 1njf s SER 44 N 1.46 4.25 0.00 1.36 1.04 -0.62 -1.23 113.70 119.96 1njf s SER 44 Ca -0.03 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1njf s SER 44 Cb -0.17 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1njf s SER 44 CO -0.07 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1njf n GLY 45 N -0.99 3.16 3.56 7.32 0.00 -1.06 -1.25 105.19 115.92 1njf n GLY 45 Ca -0.04 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1njf n GLY 45 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1njf n THR 46 N -1.92 0.00 -1.92 2.61 5.66 -1.26 -4.14 114.28 113.31 1njf n THR 46 Ca 0.00 -0.14 -0.40 0.00 -3.05 0.00 0.00 64.05 60.46 1njf n THR 46 Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 1njf n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1njf s ARG 47 N -4.32 3.88 -1.74 1.09 1.70 -1.26 -3.69 118.95 114.62 1njf s ARG 47 Ca 0.65 2.33 -0.01 0.00 -0.47 0.00 0.00 55.73 58.22 1njf s ARG 47 Cb -0.22 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.40 1njf s ARG 47 CO 0.62 -0.62 0.13 0.41 -1.08 0.00 0.00 175.30 174.76 1njf n GLY 48 N 0.61 -0.50 0.65 3.88 0.00 -1.26 -4.36 105.19 104.22 1njf n GLY 48 Ca 0.04 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1njf n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njf n VAL 49 N -4.13 0.00 0.00 1.61 0.24 -1.24 -1.09 118.33 113.72 1njf n VAL 49 Ca -0.22 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1njf n VAL 49 Cb 0.67 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 34.39 1njf n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1njf n GLY 50 N 1.08 1.75 0.20 7.63 0.00 -1.26 -4.95 105.19 109.65 1njf n GLY 50 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1njf n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1njf h LYS 51 N 0.00 -0.42 0.00 1.61 1.57 -1.93 -2.05 116.57 115.35 1njf h LYS 51 Ca 0.00 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1njf h LYS 51 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1njf h LYS 51 CO 0.00 -0.16 -0.43 1.79 -0.57 0.00 0.00 179.45 180.09 1njf h THR 52 N -0.63 0.81 -0.07 -0.16 1.35 -1.97 -2.37 112.91 109.87 1njf h THR 52 Ca -0.04 -1.88 -0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1njf h THR 52 Cb 0.45 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1njf h THR 52 CO 0.07 0.42 0.04 0.28 -0.25 0.00 0.00 175.52 176.08 1njf h SER 53 N 0.00 0.09 -0.53 5.36 0.02 -1.97 0.13 113.55 116.65 1njf h SER 53 Ca -0.00 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1njf h SER 53 Cb 1.18 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1njf h SER 53 CO 0.06 0.13 0.06 0.40 -1.14 0.00 0.00 176.83 176.33 1njf h ILE 54 N 0.04 1.26 -0.79 3.27 2.04 -1.37 -1.67 117.51 120.27 1njf h ILE 54 Ca 0.02 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 64.94 1njf h ILE 54 Cb 0.06 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1njf h ILE 54 CO -0.00 0.36 0.48 0.00 0.00 0.00 0.00 178.15 178.99 1njf h ALA 55 N 0.97 1.08 -0.25 1.87 0.00 -1.13 0.35 119.26 122.15 1njf h ALA 55 Ca 0.16 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1njf h ALA 55 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1njf h ALA 55 CO 0.02 0.21 -0.31 0.00 0.00 0.00 0.00 179.25 179.17 1njf h ARG 56 N 0.89 0.53 -0.48 0.00 3.08 -0.48 -0.27 114.38 117.65 1njf h ARG 56 Ca 0.35 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1njf h ARG 56 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1njf h ARG 56 CO -0.17 0.78 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.39 1njf h LEU 57 N 0.45 0.81 0.26 3.04 3.38 -0.34 0.92 115.31 123.84 1njf h LEU 57 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1njf h LEU 57 Cb 0.77 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1njf h LEU 57 CO 0.06 0.90 -0.13 0.25 0.09 0.00 0.00 178.44 179.62 1njf h LEU 58 N 0.76 -0.30 -0.79 1.67 5.85 -0.53 0.17 115.31 122.14 1njf h LEU 58 Ca 0.14 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1njf h LEU 58 Cb 0.53 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 1njf h LEU 58 CO 0.03 -0.08 0.43 0.00 -0.34 0.00 0.00 178.44 178.48 1njf h ALA 59 N 0.17 1.12 -0.90 1.25 0.00 -0.85 0.26 119.26 120.31 1njf h ALA 59 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1njf h ALA 59 Cb 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1njf h ALA 59 CO 0.06 0.02 0.49 -0.22 0.00 0.00 0.00 179.25 179.60 1njf h LYS 60 N 0.70 1.26 -0.03 0.00 3.64 -0.54 -2.50 116.57 119.11 1njf h LYS 60 Ca 0.39 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 1njf h LYS 60 Cb 0.40 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1njf h LYS 60 CO -0.27 0.93 -0.67 0.78 -2.27 0.00 0.00 179.45 177.95 1njf h GLY 61 N 1.26 0.13 2.00 5.01 0.00 0.15 -2.38 103.07 109.25 1njf h GLY 61 Ca 0.32 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 1njf h GLY 61 CO -0.05 0.16 -0.32 1.41 0.00 0.00 0.00 176.54 177.74 1njf h LEU 62 N 0.09 0.00 -1.81 3.11 3.38 -0.18 -2.45 115.31 117.44 1njf h LEU 62 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1njf h LEU 62 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1njf h LEU 62 CO 0.10 0.32 0.00 0.59 0.09 0.00 0.00 178.44 179.54 1njf n ASN 63 N -3.55 2.23 -4.68 -0.43 3.02 -1.00 -4.68 115.26 106.18 1njf n ASN 63 Ca -0.00 -1.62 -0.44 0.00 -0.03 0.00 0.00 54.58 52.49 1njf n ASN 63 Cb 0.46 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1njf n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1njf h GLU 65 N 3.31 0.45 0.00 0.00 5.08 -1.94 -1.55 114.58 119.92 1njf h GLU 65 Ca -0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1njf h GLU 65 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1njf h GLU 65 CO 0.69 0.33 0.00 1.79 -1.00 0.00 0.00 179.01 180.82 1njf h THR 66 N 0.46 0.00 0.00 1.13 1.35 -1.98 -3.48 112.91 110.39 1njf h THR 66 Ca 0.12 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1njf h THR 66 Cb 0.02 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1njf h THR 66 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1njf n GLY 67 N -0.45 0.90 3.56 5.82 0.00 -0.59 -4.99 105.19 109.45 1njf n GLY 67 Ca 0.00 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 1njf n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1njf s ILE 68 N -0.99 3.49 0.25 -0.61 1.01 -1.26 -4.18 121.20 118.91 1njf s ILE 68 Ca 0.00 0.34 0.10 0.00 0.00 0.00 0.00 60.65 61.10 1njf s ILE 68 Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1njf s ILE 68 CO 0.00 -1.04 -0.18 0.42 0.00 0.00 0.00 174.94 174.14 1njf s THR 69 N 7.87 2.19 -1.39 2.92 -4.23 -0.92 -4.79 115.64 117.28 1njf s THR 69 Ca 0.61 -2.32 0.24 0.00 -1.18 0.00 0.00 61.69 59.05 1njf s THR 69 Cb -0.13 -2.19 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1njf s THR 69 CO 0.22 -0.46 1.34 0.00 -0.54 0.00 0.00 174.62 175.17 1njf n ALA 70 N -0.49 3.60 -3.32 3.99 0.00 -1.26 -4.33 120.51 118.70 1njf n ALA 70 Ca -0.06 -0.45 -0.26 0.00 0.00 0.00 0.00 53.44 52.67 1njf n ALA 70 Cb 0.60 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 1njf n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1njf n THR 71 N -1.02 1.75 -1.47 0.00 -2.24 -1.26 -4.57 114.28 105.47 1njf n THR 71 Ca 0.08 -5.00 -0.46 0.00 -2.27 0.00 0.00 64.05 56.40 1njf n THR 71 Cb 0.36 -1.94 -0.02 0.00 -2.10 0.00 0.00 70.33 66.63 1njf n THR 71 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1njf n PRO 72 N 0.83 0.54 0.14 -0.78 -0.02 -1.26 -4.84 135.00 129.60 1njf n PRO 72 Ca 0.28 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1njf n PRO 72 Cb 0.44 -1.35 0.30 0.00 -0.02 0.00 0.00 33.50 32.87 1njf n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njf n GLY 74 N -0.37 0.81 0.00 0.00 0.00 -1.26 -4.78 105.19 99.59 1njf n GLY 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1njf n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njf n VAL 75 N -2.04 0.00 -1.24 1.61 0.24 -1.26 -4.56 118.33 111.08 1njf n VAL 75 Ca 0.00 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 1njf n VAL 75 Cb 0.00 0.44 0.13 0.00 -1.47 0.00 0.00 33.84 32.94 1njf n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1njf h ASP 77 N -1.46 1.04 -0.80 0.00 3.32 -1.99 -1.58 116.42 114.95 1njf h ASP 77 Ca -0.48 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.46 1njf h ASP 77 Cb 1.28 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1njf h ASP 77 CO 0.54 0.88 0.53 0.78 -1.72 0.00 0.00 179.24 180.25 1njf h ASN 78 N 1.12 0.87 -0.10 6.45 2.35 -1.92 -1.35 115.58 122.99 1njf h ASN 78 Ca 0.27 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 1njf h ASN 78 Cb 0.11 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1njf h ASN 78 CO -0.03 0.60 -0.39 0.00 -1.65 0.00 0.00 177.43 175.95 1njf h ARG 80 N 0.01 0.04 -0.47 0.00 3.08 -1.09 -0.84 114.38 115.11 1njf h ARG 80 Ca -0.02 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1njf h ARG 80 Cb 1.03 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.00 1njf h ARG 80 CO 0.08 0.08 0.05 0.93 -1.07 0.00 0.00 179.97 180.04 1njf h GLU 81 N -0.01 0.16 -0.74 0.04 5.08 -1.34 0.87 114.58 118.63 1njf h GLU 81 Ca 0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1njf h GLU 81 Cb 0.05 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1njf h GLU 81 CO -0.00 0.11 0.49 0.82 -1.00 0.00 0.00 179.01 179.42 1njf h ILE 82 N 0.17 1.19 -0.62 3.13 1.08 -1.30 1.64 117.51 122.80 1njf h ILE 82 Ca 0.23 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1njf h ILE 82 Cb 0.33 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.15 1njf h ILE 82 CO -0.34 0.19 0.36 -0.33 -0.69 0.00 0.00 178.15 177.33 1njf h GLU 83 N 1.01 0.84 0.00 2.37 5.08 0.15 -0.28 114.58 123.76 1njf h GLU 83 Ca 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1njf h GLU 83 Cb -0.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1njf h GLU 83 CO -0.06 0.61 -0.55 1.96 -1.00 0.00 0.00 179.01 179.97 1njf h GLN 84 N 0.86 0.00 -1.98 2.33 4.20 -0.00 -3.48 115.11 117.03 1njf h GLN 84 Ca 0.22 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1njf h GLN 84 Cb -0.00 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.79 1njf h GLN 84 CO -0.04 0.00 -0.08 0.41 -0.67 0.00 0.00 178.83 178.45 1njf n GLY 85 N 1.23 0.56 0.28 3.46 0.00 0.50 -4.99 105.19 106.23 1njf n GLY 85 Ca 0.03 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.61 1njf n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1njf n ARG 86 N -1.17 0.72 -2.66 1.61 1.74 0.20 -4.96 116.66 112.13 1njf n ARG 86 Ca -0.02 -1.91 -0.41 0.00 -0.77 0.00 0.00 57.85 54.75 1njf n ARG 86 Cb 0.51 -1.06 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 1njf n ARG 86 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1njf s PHE 87 N -1.62 3.73 -0.58 -1.55 5.36 -1.24 -4.88 117.98 117.19 1njf s PHE 87 Ca 0.18 1.72 0.25 0.00 -0.96 0.00 0.00 56.93 58.12 1njf s PHE 87 Cb 0.16 -3.13 0.56 0.00 -0.34 0.00 0.00 43.02 40.27 1njf s PHE 87 CO 0.01 -0.08 1.67 0.28 -1.46 0.00 0.00 175.22 175.64 1njf h VAL 88 N 4.05 0.00 -0.32 3.12 2.07 -1.97 -3.25 116.25 119.95 1njf h VAL 88 Ca -0.43 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1njf h VAL 88 Cb 1.21 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1njf h VAL 88 CO 0.73 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.79 1njf n ASP 89 N -2.66 2.83 -4.06 0.57 9.92 -1.26 -4.72 116.55 117.18 1njf n ASP 89 Ca 0.05 -1.91 -0.32 0.00 -0.53 0.00 0.00 54.79 52.08 1njf n ASP 89 Cb 0.48 -0.21 -0.15 0.00 -0.64 0.00 0.00 41.12 40.61 1njf n ASP 89 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1njf s LEU 90 N -1.49 4.38 -0.37 0.64 2.96 -1.23 0.14 118.68 123.71 1njf s LEU 90 Ca 0.36 -1.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.26 1njf s LEU 90 Cb 0.21 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 1njf s LEU 90 CO 0.29 -0.33 0.34 -0.63 -1.32 0.00 0.00 176.35 174.69 1njf s ILE 91 N 1.01 5.20 -0.24 6.68 1.01 0.13 -4.85 121.20 130.14 1njf s ILE 91 Ca 0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 1njf s ILE 91 Cb -0.20 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1njf s ILE 91 CO -0.06 -0.17 0.35 -1.61 0.00 0.00 0.00 174.94 173.45 1njf s GLU 92 N 1.91 4.08 -0.15 2.79 2.02 -1.26 -1.10 118.70 126.99 1njf s GLU 92 Ca 0.09 0.06 -0.01 0.00 0.02 0.00 0.00 54.97 55.13 1njf s GLU 92 Cb -0.17 -3.59 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 1njf s GLU 92 CO 0.11 -0.14 -0.11 0.42 0.02 0.00 0.00 175.26 175.57 1njf s ILE 93 N 1.63 3.13 -0.38 -1.63 1.01 0.12 -4.96 121.20 120.12 1njf s ILE 93 Ca 0.15 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1njf s ILE 93 Cb -0.15 -2.34 0.09 0.00 0.01 0.00 0.00 42.46 40.07 1njf s ILE 93 CO 0.08 0.51 0.16 -0.62 0.00 0.00 0.00 174.94 175.07 1njf s ASP 94 N 0.58 5.23 0.44 3.58 2.15 -1.26 -1.45 116.67 125.94 1njf s ASP 94 Ca -0.07 -1.76 0.30 0.00 0.43 0.00 0.00 52.55 51.45 1njf s ASP 94 Cb -0.15 -1.83 1.32 0.00 -0.30 0.00 0.00 42.92 41.96 1njf s ASP 94 CO 0.03 -0.47 1.90 0.00 -0.17 0.00 0.00 175.17 176.46 1njf h ALA 95 N 8.09 1.00 0.00 3.66 0.00 -1.68 -2.83 119.26 127.50 1njf h ALA 95 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1njf h ALA 95 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1njf h ALA 95 CO 0.67 0.00 -0.71 0.00 0.00 0.00 0.00 179.25 179.20 1njf n ALA 96 N -1.96 3.04 -2.51 0.00 0.00 -1.26 -4.54 120.51 113.28 1njf n ALA 96 Ca 0.01 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1njf n ALA 96 Cb 0.24 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1njf n ALA 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1njf s SER 97 N -4.12 6.59 0.40 0.00 0.15 -1.07 -4.87 113.70 110.77 1njf s SER 97 Ca 0.06 0.73 0.21 0.00 0.70 0.00 0.00 55.95 57.65 1njf s SER 97 Cb 0.14 -2.55 0.70 0.00 -1.71 0.00 0.00 66.02 62.60 1njf s SER 97 CO 0.74 -1.24 1.73 0.08 1.20 0.00 0.00 173.24 175.75 1njf h ARG 98 N 9.53 0.00 -0.96 5.44 0.11 -1.89 -3.12 114.38 123.50 1njf h ARG 98 Ca -0.24 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.90 1njf h ARG 98 Cb 1.08 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.09 1njf h ARG 98 CO 1.09 0.30 0.62 1.15 0.10 0.00 0.00 179.97 183.24 1njf h THR 99 N 0.00 1.08 -1.21 0.08 2.02 -1.97 -3.24 112.91 109.68 1njf h THR 99 Ca -0.00 -0.38 -0.47 0.00 0.77 0.00 0.00 66.41 66.33 1njf h THR 99 Cb 0.90 -0.13 -0.41 0.00 -1.74 0.00 0.00 68.15 66.77 1njf h THR 99 CO 0.04 0.20 -0.96 2.29 0.37 0.00 0.00 175.52 177.46 1njf n LYS 100 N -4.49 2.35 0.01 6.66 2.85 -1.18 -4.90 118.16 119.45 1njf n LYS 100 Ca 0.15 -3.89 -0.12 0.00 -1.05 0.00 0.00 58.31 53.39 1njf n LYS 100 Cb 0.19 -1.78 -0.10 0.00 -0.65 0.00 0.00 35.03 32.70 1njf n LYS 100 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1njf h VAL 101 N 2.88 1.25 -0.67 0.58 2.07 -1.57 -2.78 116.25 118.01 1njf h VAL 101 Ca 0.11 -1.32 0.14 0.00 0.82 0.00 0.00 66.70 66.45 1njf h VAL 101 Cb 1.08 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 1njf h VAL 101 CO 0.66 0.32 0.45 -0.33 0.02 0.00 0.00 177.57 178.69 1njf h GLU 102 N -0.71 0.30 -0.46 1.57 5.08 -1.90 0.48 114.58 118.93 1njf h GLU 102 Ca -0.01 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1njf h GLU 102 Cb 0.58 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1njf h GLU 102 CO 0.01 0.20 -0.12 0.22 -1.00 0.00 0.00 179.01 178.32 1njf h ASP 103 N 0.31 0.84 -0.71 1.42 3.58 -1.94 -0.44 116.42 119.49 1njf h ASP 103 Ca 0.32 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1njf h ASP 103 Cb 0.83 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 1njf h ASP 103 CO -0.08 0.98 0.22 0.74 -2.88 0.00 0.00 179.24 178.22 1njf h THR 104 N 0.76 1.26 0.00 2.25 2.02 0.16 -0.96 112.91 118.41 1njf h THR 104 Ca 0.12 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1njf h THR 104 Cb 0.63 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1njf h THR 104 CO 0.04 0.35 -0.39 0.08 0.37 0.00 0.00 175.52 175.97 1njf h ARG 105 N 1.04 0.00 0.13 6.66 -0.00 -0.71 -2.81 114.38 118.70 1njf h ARG 105 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.20 1njf h ARG 105 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.27 1njf h ARG 105 CO -0.01 0.39 -0.06 0.22 -0.00 0.00 0.00 179.97 180.50 1njf h ASP 106 N 0.00 -0.15 -0.49 0.08 -0.00 -0.67 -3.04 116.42 112.15 1njf h ASP 106 Ca -0.00 -0.40 0.06 0.00 -0.00 0.00 0.00 57.03 56.69 1njf h ASP 106 Cb 1.06 0.04 -0.06 0.00 -0.00 0.00 0.00 39.33 40.38 1njf h ASP 106 CO 0.05 0.41 0.18 -0.07 -0.00 0.00 0.00 179.24 179.81 1njf h LEU 107 N -0.81 0.19 -1.63 2.28 3.38 -1.22 -0.85 115.31 116.65 1njf h LEU 107 Ca -0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1njf h LEU 107 Cb 0.54 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1njf h LEU 107 CO 0.03 0.14 -0.02 -0.07 0.09 0.00 0.00 178.44 178.60 1njf h LEU 108 N 0.36 0.00 0.00 1.67 3.38 -1.61 -2.44 115.31 116.66 1njf h LEU 108 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1njf h LEU 108 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1njf h LEU 108 CO -0.23 0.02 -0.89 0.47 0.09 0.00 0.00 178.44 177.90 1njf n ASP 109 N -3.14 0.63 -3.27 -0.43 8.00 -0.70 -4.46 116.55 113.19 1njf n ASP 109 Ca 0.00 -0.21 -0.25 0.00 0.71 0.00 0.00 54.79 55.04 1njf n ASP 109 Cb 0.29 0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 1njf n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1njf n ASN 110 N -1.89 2.10 -4.77 -2.24 3.02 -0.41 -5.09 115.26 105.97 1njf n ASN 110 Ca 0.03 -3.12 -0.41 0.00 -0.03 0.00 0.00 54.58 51.05 1njf n ASN 110 Cb 0.42 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 1njf n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1njf s VAL 111 N -2.11 2.47 -0.57 2.41 1.01 -1.18 -4.79 120.40 117.64 1njf s VAL 111 Ca 0.39 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 1njf s VAL 111 Cb 0.19 -3.30 0.10 0.00 0.00 0.00 0.00 36.38 33.37 1njf s VAL 111 CO -0.07 0.11 0.65 -1.10 0.00 0.00 0.00 175.10 174.69 1njf s GLN 112 N -1.93 3.04 0.46 2.72 -0.21 -1.26 -4.91 119.66 117.56 1njf s GLN 112 Ca 0.51 -1.33 0.26 0.00 0.02 0.00 0.00 55.36 54.82 1njf s GLN 112 Cb -0.42 -4.24 0.63 0.00 1.00 0.00 0.00 33.01 29.97 1njf s GLN 112 CO 0.56 -1.44 1.71 1.88 -2.12 0.00 0.00 175.29 175.89 1njf h TYR 113 N 9.09 0.00 -3.54 0.91 -1.99 -1.97 -3.44 116.97 116.04 1njf h TYR 113 Ca -0.29 0.00 -0.71 0.00 2.00 0.00 0.00 58.73 59.73 1njf h TYR 113 Cb 1.09 0.00 -0.29 0.00 2.00 0.00 0.00 36.73 39.53 1njf h TYR 113 CO 0.80 0.00 -0.53 0.00 -0.00 0.00 0.00 178.16 178.43 1njf s ALA 114 N -3.32 3.19 0.60 3.88 0.00 -1.26 -4.52 121.76 120.32 1njf s ALA 114 Ca 0.06 -2.03 -0.19 0.00 0.00 0.00 0.00 51.96 49.79 1njf s ALA 114 Cb 0.06 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1njf s ALA 114 CO 0.63 -1.55 1.08 -2.30 0.00 0.00 0.00 175.76 173.62 1njf n PRO 115 N 4.85 1.05 -0.08 0.00 -0.02 -1.26 -4.97 135.00 134.57 1njf n PRO 115 Ca -0.10 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 1njf n PRO 115 Cb 0.43 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1njf n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njf n ALA 116 N -1.63 1.33 -0.08 3.55 0.00 -1.26 -4.88 120.51 117.54 1njf n ALA 116 Ca 0.14 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 1njf n ALA 116 Cb 0.47 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1njf n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1njf n ARG 117 N -4.21 1.22 -2.89 0.00 1.74 -1.26 -5.03 116.66 106.23 1njf n ARG 117 Ca -0.24 0.04 -0.19 0.00 -0.77 0.00 0.00 57.85 56.69 1njf n ARG 117 Cb 0.57 -1.35 0.04 0.00 -1.02 0.00 0.00 32.46 30.70 1njf n ARG 117 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1njf s GLY 118 N -5.10 1.85 0.04 -0.13 0.00 -1.26 -4.99 107.32 97.72 1njf s GLY 118 Ca -0.14 -1.72 0.27 0.00 0.00 0.00 0.00 44.72 43.13 1njf s GLY 118 CO 0.50 -1.41 1.86 -0.96 0.00 0.00 0.00 173.10 173.09 1njf n ARG 119 N -2.17 0.04 -4.03 2.90 1.85 -1.26 -4.78 116.66 109.21 1njf n ARG 119 Ca 0.11 0.07 -0.12 0.00 -1.00 0.00 0.00 57.85 56.90 1njf n ARG 119 Cb 0.60 -1.55 -0.12 0.00 -1.05 0.00 0.00 32.46 30.34 1njf n ARG 119 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1njf s PHE 120 N -3.02 0.49 -0.25 2.89 0.08 -1.26 -4.86 117.98 112.05 1njf s PHE 120 Ca 0.13 -0.45 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 1njf s PHE 120 Cb 0.17 -0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 1njf s PHE 120 CO 0.51 -0.11 0.23 0.21 -0.10 0.00 0.00 175.22 175.96 1njf s LYS 121 N -1.34 4.05 -0.13 0.44 2.47 0.15 -4.82 119.74 120.57 1njf s LYS 121 Ca -0.10 -0.17 0.02 0.00 -1.56 0.00 0.00 55.97 54.15 1njf s LYS 121 Cb -0.09 -3.58 -0.00 0.00 -1.46 0.00 0.00 37.83 32.70 1njf s LYS 121 CO -0.00 -0.05 -0.20 0.08 0.16 0.00 0.00 175.35 175.35 1njf s VAL 122 N 1.37 2.37 -0.22 4.02 1.01 0.37 -0.86 120.40 128.45 1njf s VAL 122 Ca 0.10 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1njf s VAL 122 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1njf s VAL 122 CO 0.07 0.54 0.07 -0.31 0.00 0.00 0.00 175.10 175.47 1njf s TYR 123 N 0.56 3.13 -0.30 5.22 1.51 0.89 0.20 117.35 128.56 1njf s TYR 123 Ca -0.12 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 55.66 1njf s TYR 123 Cb -0.16 -2.18 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1njf s TYR 123 CO 0.04 -0.17 0.05 -1.17 -1.11 0.00 0.00 175.55 173.18 1njf s LEU 124 N 1.17 3.86 -0.32 -1.29 0.20 -0.26 0.06 118.68 122.10 1njf s LEU 124 Ca 0.04 -0.95 -0.02 0.00 0.69 0.00 0.00 54.13 53.89 1njf s LEU 124 Cb -0.14 -1.81 0.06 0.00 -0.43 0.00 0.00 46.19 43.87 1njf s LEU 124 CO 0.03 -0.23 0.04 -0.63 -0.29 0.00 0.00 176.35 175.28 1njf s ILE 125 N 1.40 3.05 0.16 6.68 1.01 0.08 0.10 121.20 133.69 1njf s ILE 125 Ca -0.00 -1.54 -0.23 0.00 0.00 0.00 0.00 60.65 58.88 1njf s ILE 125 Cb -0.18 -2.84 -0.08 0.00 0.01 0.00 0.00 42.46 39.37 1njf s ILE 125 CO 0.01 -0.24 0.74 -0.62 0.00 0.00 0.00 174.94 174.82 1njf s ASP 126 N 1.35 7.27 -1.24 3.58 2.15 -0.53 -1.43 116.67 127.83 1njf s ASP 126 Ca -0.02 1.54 -0.11 0.00 0.43 0.00 0.00 52.55 54.40 1njf s ASP 126 Cb -0.20 -2.46 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 1njf s ASP 126 CO -0.02 0.18 0.67 -0.62 -0.17 0.00 0.00 175.17 175.22 1njf n GLU 127 N 1.43 -2.51 0.25 4.34 -0.58 -0.16 -2.26 120.64 121.15 1njf n GLU 127 Ca -0.06 0.48 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 1njf n GLU 127 Cb 0.49 -4.48 0.81 0.00 -0.57 0.00 0.00 31.44 27.69 1njf n GLU 127 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1njf h VAL 128 N -1.85 0.65 0.00 2.62 3.04 -1.49 0.24 116.25 119.47 1njf h VAL 128 Ca -0.64 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1njf h VAL 128 Cb 1.36 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1njf h VAL 128 CO 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.10 1njf n HIS 129 N -4.05 0.50 0.39 3.17 1.44 -1.26 -2.32 115.22 113.08 1njf n HIS 129 Ca -0.01 0.20 0.12 0.00 -2.01 0.00 0.00 57.72 56.02 1njf n HIS 129 Cb 0.17 -0.83 0.23 0.00 0.12 0.00 0.00 29.99 29.69 1njf n HIS 129 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 1njf h MET 130 N 0.00 0.00 -6.62 -1.40 -1.53 -1.26 -3.47 114.93 100.65 1njf h MET 130 Ca 0.00 0.00 -0.58 0.00 -3.44 0.00 0.00 59.70 55.68 1njf h MET 130 Cb 0.30 0.00 0.14 0.00 -0.55 0.00 0.00 31.60 31.49 1njf h MET 130 CO 0.00 0.00 0.01 1.28 0.14 0.00 0.00 176.91 178.34 1njf n LEU 131 N -2.66 2.22 -4.70 3.39 4.77 -0.98 -4.90 117.00 114.14 1njf n LEU 131 Ca 0.04 0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 56.66 1njf n LEU 131 Cb 0.49 -1.30 0.15 0.00 -2.33 0.00 0.00 43.42 40.42 1njf n LEU 131 CO 0.34 -1.95 0.66 -0.94 -1.33 0.00 0.00 177.39 174.17 1njf s SER 132 N -0.92 3.29 0.15 -1.43 1.04 -1.26 -4.67 113.70 109.90 1njf s SER 132 Ca 0.66 1.55 -0.21 0.00 0.48 0.00 0.00 55.95 58.43 1njf s SER 132 Cb -0.52 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1njf s SER 132 CO 0.55 -2.76 1.65 -0.09 0.98 0.00 0.00 173.24 173.57 1njf h ARG 133 N -1.63 -0.17 -0.43 4.02 2.43 -1.99 0.24 114.38 116.86 1njf h ARG 133 Ca -0.50 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1njf h ARG 133 Cb 1.28 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 1njf h ARG 133 CO 0.53 -0.11 0.26 1.25 -1.51 0.00 0.00 179.97 180.39 1njf h HIS 134 N -0.17 0.50 0.00 2.20 2.76 -1.99 -1.40 115.15 117.04 1njf h HIS 134 Ca 0.13 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.18 1njf h HIS 134 Cb 0.38 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1njf h HIS 134 CO -0.34 0.30 -0.64 0.77 -1.30 0.00 0.00 177.93 176.72 1njf h SER 135 N 0.53 0.00 -0.07 3.26 0.02 -1.84 -1.51 113.55 113.94 1njf h SER 135 Ca 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1njf h SER 135 Cb -0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1njf h SER 135 CO -0.06 0.64 0.00 0.15 -1.14 0.00 0.00 176.83 176.42 1njf h PHE 136 N 0.00 0.12 0.00 3.45 3.57 -0.23 -1.80 116.94 122.06 1njf h PHE 136 Ca -0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1njf h PHE 136 Cb 1.16 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1njf h PHE 136 CO 0.00 0.38 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.26 1njf h ASN 137 N -0.17 0.00 -0.22 0.41 2.35 -1.21 -0.98 115.58 115.77 1njf h ASN 137 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1njf h ASN 137 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1njf h ASN 137 CO 0.00 0.29 -0.07 0.00 -1.65 0.00 0.00 177.43 176.00 1njf h ALA 138 N 1.71 1.24 -0.17 -0.83 0.00 -1.03 0.41 119.26 120.59 1njf h ALA 138 Ca -0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1njf h ALA 138 Cb 0.57 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1njf h ALA 138 CO 0.04 0.50 -0.66 1.25 0.00 0.00 0.00 179.25 180.37 1njf h LEU 139 N 0.53 0.88 -0.10 0.00 5.85 -0.41 -2.94 115.31 119.13 1njf h LEU 139 Ca 0.10 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1njf h LEU 139 Cb 0.45 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1njf h LEU 139 CO 0.02 1.34 0.03 0.25 -0.34 0.00 0.00 178.44 179.75 1njf h LEU 140 N 0.47 0.15 -0.76 2.25 6.46 -0.98 -1.90 115.31 120.99 1njf h LEU 140 Ca -0.03 -0.20 0.18 0.00 -0.12 0.00 0.00 57.88 57.70 1njf h LEU 140 Cb 1.29 -0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 41.06 1njf h LEU 140 CO 0.14 0.31 0.13 0.50 -0.62 0.00 0.00 178.44 178.90 1njf h LYS 141 N -0.02 0.19 -0.15 1.25 3.64 -0.95 0.16 116.57 120.69 1njf h LYS 141 Ca 0.03 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1njf h LYS 141 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1njf h LYS 141 CO -0.00 0.13 -0.45 1.15 -2.27 0.00 0.00 179.45 178.01 1njf h THR 142 N 0.20 1.32 0.00 1.00 2.02 -1.31 -3.00 112.91 113.13 1njf h THR 142 Ca 0.44 -1.63 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 1njf h THR 142 Cb 0.78 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1njf h THR 142 CO -0.59 0.49 -0.42 -0.07 0.37 0.00 0.00 175.52 175.31 1njf h LEU 143 N 0.29 0.00 -0.73 2.58 3.38 -0.18 -2.97 115.31 117.69 1njf h LEU 143 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1njf h LEU 143 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1njf h LEU 143 CO 0.08 0.42 -0.46 -0.33 0.09 0.00 0.00 178.44 178.23 1njf h GLU 144 N 0.00 0.00 -2.14 1.13 5.08 -0.65 -3.32 114.58 114.68 1njf h GLU 144 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1njf h GLU 144 Cb 1.22 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.06 1njf h GLU 144 CO 0.05 0.46 -0.79 0.39 -1.00 0.00 0.00 179.01 178.12 1njf n GLU 145 N -3.51 2.07 -1.48 2.33 1.02 -1.15 -5.09 120.64 114.82 1njf n GLU 145 Ca -0.00 -4.23 -0.43 0.00 -0.02 0.00 0.00 57.16 52.48 1njf n GLU 145 Cb 0.58 -1.94 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 1njf n GLU 145 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1njf n PRO 146 N 0.71 0.57 -1.12 3.49 -0.02 -1.13 -4.86 135.00 132.64 1njf n PRO 146 Ca 0.27 0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 1njf n PRO 146 Cb 0.46 -2.31 0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1njf n PRO 146 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1njf n PRO 147 N 8.51 0.18 -0.01 0.52 -0.02 -1.26 -4.96 135.00 137.97 1njf n PRO 147 Ca 0.51 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1njf n PRO 147 Cb 0.23 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1njf n PRO 147 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1njf h GLU 148 N -0.85 0.06 -0.50 -0.52 4.81 -1.93 -3.32 114.58 112.33 1njf h GLU 148 Ca -0.46 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 1njf h GLU 148 Cb 1.31 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 1njf h GLU 148 CO 0.45 0.35 0.09 0.72 -0.73 0.00 0.00 179.01 179.89 1njf n HIS 149 N -4.90 1.72 -4.78 0.92 8.25 -1.26 -4.96 115.22 110.20 1njf n HIS 149 Ca -0.07 -1.06 -0.33 0.00 -0.26 0.00 0.00 57.72 55.99 1njf n HIS 149 Cb 0.18 -0.51 -0.13 0.00 1.12 0.00 0.00 29.99 30.65 1njf n HIS 149 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1njf s VAL 150 N -2.94 3.19 -0.05 1.59 1.01 -1.25 0.32 120.40 122.27 1njf s VAL 150 Ca 0.49 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1njf s VAL 150 Cb 0.40 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1njf s VAL 150 CO 0.11 0.56 -0.21 -0.54 0.00 0.00 0.00 175.10 175.01 1njf s LYS 151 N -0.20 2.16 -0.35 2.72 -0.14 -0.04 -4.77 119.74 119.11 1njf s LYS 151 Ca 0.01 -0.76 -0.04 0.00 -1.36 0.00 0.00 55.97 53.82 1njf s LYS 151 Cb -0.13 -1.85 0.07 0.00 -1.68 0.00 0.00 37.83 34.23 1njf s LYS 151 CO 0.03 0.32 0.10 -0.06 -0.76 0.00 0.00 175.35 174.98 1njf s PHE 152 N -0.08 3.37 -0.38 3.18 0.08 -0.60 -0.08 117.98 123.47 1njf s PHE 152 Ca -0.03 -1.92 -0.13 0.00 0.12 0.00 0.00 56.93 54.96 1njf s PHE 152 Cb -0.13 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.80 1njf s PHE 152 CO 0.03 -0.84 0.26 -0.51 -0.10 0.00 0.00 175.22 174.05 1njf s LEU 153 N 1.26 4.82 0.06 -0.37 1.43 0.11 -1.01 118.68 124.98 1njf s LEU 153 Ca 0.00 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.36 1njf s LEU 153 Cb -0.21 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1njf s LEU 153 CO -0.01 -0.37 -0.05 -0.76 0.23 0.00 0.00 176.35 175.39 1njf s LEU 154 N 1.66 3.25 0.03 1.79 1.43 0.30 -0.74 118.68 126.41 1njf s LEU 154 Ca 0.05 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1njf s LEU 154 Cb -0.19 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1njf s LEU 154 CO 0.09 0.22 -0.08 0.00 0.23 0.00 0.00 176.35 176.81 1njf s ALA 155 N -1.16 0.64 -0.20 4.21 0.00 -0.51 0.21 121.76 124.96 1njf s ALA 155 Ca 0.21 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1njf s ALA 155 Cb -0.11 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.07 1njf s ALA 155 CO 0.13 0.04 0.76 -0.08 0.00 0.00 0.00 175.76 176.61 1njf s THR 156 N -1.06 0.00 -1.62 0.00 -1.32 -0.37 -0.98 115.64 110.29 1njf s THR 156 Ca -0.06 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.66 1njf s THR 156 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1njf s THR 156 CO 0.00 0.00 1.19 0.35 -2.21 0.00 0.00 174.62 173.95 1njf n THR 157 N 1.96 0.00 -3.41 5.08 -2.24 -1.26 -2.56 114.28 111.86 1njf n THR 157 Ca -0.15 -0.14 -0.26 0.00 -2.27 0.00 0.00 64.05 61.22 1njf n THR 157 Cb 0.56 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 1njf n THR 157 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1njf n ASP 158 N -0.66 0.54 -0.33 3.42 2.03 -1.26 -4.72 116.55 115.57 1njf n ASP 158 Ca 0.08 -2.67 -0.04 0.00 0.52 0.00 0.00 54.79 52.69 1njf n ASP 158 Cb 0.40 -0.61 0.09 0.00 -0.72 0.00 0.00 41.12 40.27 1njf n ASP 158 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1njf h PRO 159 N 5.03 1.25 -0.34 -0.67 0.11 -1.98 -2.96 132.00 132.43 1njf h PRO 159 Ca 0.19 -0.15 0.10 0.00 0.11 0.00 0.00 66.00 66.25 1njf h PRO 159 Cb 0.86 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1njf h PRO 159 CO 0.48 0.92 0.41 1.96 -0.21 0.00 0.00 178.00 181.56 1njf h GLN 160 N 1.25 0.00 0.00 1.05 1.08 -1.99 0.26 115.11 116.76 1njf h GLN 160 Ca 0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1njf h GLN 160 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1njf h GLN 160 CO -0.05 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.46 1njf n LYS 161 N -3.63 0.40 -3.46 1.46 5.02 -1.12 -4.78 118.16 112.05 1njf n LYS 161 Ca 0.06 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1njf n LYS 161 Cb 0.57 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 1njf n LYS 161 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1njf s LEU 162 N -2.57 4.21 0.99 -0.35 1.43 0.93 -5.02 118.68 118.30 1njf s LEU 162 Ca 0.27 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.75 1njf s LEU 162 Cb 0.19 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 44.03 1njf s LEU 162 CO 0.43 0.02 0.42 -2.65 0.23 0.00 0.00 176.35 174.81 1njf n PRO 163 N 3.95 -0.64 0.15 1.29 -0.02 -1.26 -4.74 135.00 133.72 1njf n PRO 163 Ca -0.10 -0.15 0.02 0.00 -2.02 0.00 0.00 63.50 61.25 1njf n PRO 163 Cb 0.52 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.26 1njf n PRO 163 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1njf h VAL 164 N -1.74 1.03 -0.06 -1.45 2.07 -1.98 -1.99 116.25 112.13 1njf h VAL 164 Ca -0.46 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 64.97 1njf h VAL 164 Cb 1.30 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1njf h VAL 164 CO 0.36 0.51 -0.05 0.71 0.02 0.00 0.00 177.57 179.12 1njf h THR 165 N 0.00 1.08 0.00 2.57 1.35 -1.99 0.18 112.91 116.10 1njf h THR 165 Ca -0.01 -0.34 -0.22 0.00 -0.55 0.00 0.00 66.41 65.29 1njf h THR 165 Cb 1.21 1.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 1njf h THR 165 CO 0.07 0.11 -1.24 0.00 -0.25 0.00 0.00 175.52 174.21 1njf n ILE 166 N -4.42 1.52 -0.28 6.82 0.13 -1.12 -4.09 119.36 117.93 1njf n ILE 166 Ca -0.02 -0.02 0.03 0.00 -1.10 0.00 0.00 62.75 61.64 1njf n ILE 166 Cb 0.17 -2.07 0.16 0.00 -0.84 0.00 0.00 39.64 37.06 1njf n ILE 166 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1njf h LEU 167 N -1.00 0.60 -2.80 9.51 3.38 -1.30 -0.62 115.31 123.08 1njf h LEU 167 Ca -0.33 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1njf h LEU 167 Cb 1.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1njf h LEU 167 CO -0.20 0.34 -0.00 0.77 0.09 0.00 0.00 178.44 179.44 1njf h SER 168 N 0.72 0.00 -0.57 -0.43 4.64 -0.83 -1.72 113.55 115.36 1njf h SER 168 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1njf h SER 168 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1njf h SER 168 CO -0.26 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.24 1njf n ARG 169 N -3.37 4.88 -4.39 4.77 1.74 -0.24 -4.93 116.66 115.11 1njf n ARG 169 Ca -0.03 -3.17 -0.19 0.00 -0.77 0.00 0.00 57.85 53.69 1njf n ARG 169 Cb 0.07 -2.26 -0.15 0.00 -1.02 0.00 0.00 32.46 29.10 1njf n ARG 169 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njf s LEU 171 N -0.20 3.83 0.20 0.00 2.96 -0.72 -4.82 118.68 119.93 1njf s LEU 171 Ca 0.03 0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 54.56 1njf s LEU 171 Cb -0.04 -3.51 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1njf s LEU 171 CO -0.00 -1.02 0.61 -1.10 -1.32 0.00 0.00 176.35 173.52 1njf s GLN 172 N 3.93 4.02 -0.02 1.98 -0.21 -1.26 -1.41 119.66 126.69 1njf s GLN 172 Ca 0.45 0.57 -0.00 0.00 0.02 0.00 0.00 55.36 56.40 1njf s GLN 172 Cb -0.10 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.12 1njf s GLN 172 CO 0.22 0.39 0.03 -0.06 -2.12 0.00 0.00 175.29 173.76 1njf s PHE 173 N -1.60 0.04 -0.31 0.91 0.08 -0.55 -4.95 117.98 111.61 1njf s PHE 173 Ca 0.42 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.62 1njf s PHE 173 Cb -0.14 -0.28 0.06 0.00 -0.57 0.00 0.00 43.02 42.09 1njf s PHE 173 CO 0.20 -0.11 0.01 -1.01 -0.10 0.00 0.00 175.22 174.21 1njf s HIS 174 N 1.26 3.33 0.28 0.36 3.76 -1.26 -1.59 115.29 121.43 1njf s HIS 174 Ca -0.07 -2.07 -0.29 0.00 -0.15 0.00 0.00 55.06 52.48 1njf s HIS 174 Cb -0.13 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.21 1njf s HIS 174 CO -0.03 -0.84 1.09 -0.51 -0.85 0.00 0.00 174.74 173.59 1njf s LEU 175 N 1.20 4.54 0.51 0.89 1.02 -0.38 -4.88 118.68 121.57 1njf s LEU 175 Ca -0.03 2.24 -0.08 0.00 0.02 0.00 0.00 54.13 56.28 1njf s LEU 175 Cb -0.20 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 1njf s LEU 175 CO -0.02 -0.14 0.85 -0.54 0.02 0.00 0.00 176.35 176.51 1njf s LYS 176 N -1.49 3.59 0.51 1.70 1.02 -1.26 -4.57 119.74 119.24 1njf s LYS 176 Ca 0.45 0.39 -0.21 0.00 0.02 0.00 0.00 55.97 56.62 1njf s LYS 176 Cb -0.31 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1njf s LYS 176 CO 0.40 -0.28 1.13 0.00 -0.92 0.00 0.00 175.35 175.68 1njf s ALA 177 N -2.81 2.81 -0.18 5.17 0.00 -1.26 -4.93 121.76 120.57 1njf s ALA 177 Ca 0.50 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 1njf s ALA 177 Cb -0.10 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1njf s ALA 177 CO 0.45 -0.67 0.30 -0.51 0.00 0.00 0.00 175.76 175.33 1njf s LEU 178 N -3.51 4.21 0.66 0.00 1.43 -1.25 -5.08 118.68 115.15 1njf s LEU 178 Ca 0.69 0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 54.21 1njf s LEU 178 Cb -0.24 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 43.66 1njf s LEU 178 CO 0.28 0.06 0.95 1.51 0.23 0.00 0.00 176.35 179.38 1njf s ASP 179 N 0.65 4.93 0.22 2.29 3.84 -1.26 -4.19 116.67 123.15 1njf s ASP 179 Ca 0.16 0.30 -0.10 0.00 -0.00 0.00 0.00 52.55 52.91 1njf s ASP 179 Cb -0.13 -1.01 0.32 0.00 -1.38 0.00 0.00 42.92 40.71 1njf s ASP 179 CO 0.05 -1.48 1.65 0.58 -0.00 0.00 0.00 175.17 175.97 1njf h VAL 180 N -0.41 0.44 -0.80 2.11 2.07 -1.98 -1.77 116.25 115.92 1njf h VAL 180 Ca -0.44 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1njf h VAL 180 Cb 1.31 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1njf h VAL 180 CO 0.57 0.02 0.35 -0.33 0.02 0.00 0.00 177.57 178.20 1njf h GLU 181 N 0.10 1.17 -0.53 1.57 4.39 -1.94 0.23 114.58 119.57 1njf h GLU 181 Ca 0.34 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1njf h GLU 181 Cb 0.56 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1njf h GLU 181 CO -0.58 0.93 0.25 1.96 -1.16 0.00 0.00 179.01 180.41 1njf h GLN 182 N 1.14 0.76 -0.14 2.33 4.20 -1.76 -0.03 115.11 121.61 1njf h GLN 182 Ca 0.27 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1njf h GLN 182 Cb 0.17 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1njf h GLN 182 CO -0.03 0.63 -0.03 0.82 -0.67 0.00 0.00 178.83 179.55 1njf h ILE 183 N 0.70 1.28 -0.84 2.54 2.04 -1.00 -2.79 117.51 119.45 1njf h ILE 183 Ca 0.18 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.13 1njf h ILE 183 Cb 0.12 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1njf h ILE 183 CO -0.02 0.28 0.53 -0.09 0.00 0.00 0.00 178.15 178.84 1njf h ARG 184 N -0.03 0.95 -0.69 2.37 2.43 -0.42 -1.16 114.38 117.83 1njf h ARG 184 Ca 0.04 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1njf h ARG 184 Cb 0.45 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1njf h ARG 184 CO 0.01 0.63 0.16 1.25 -1.51 0.00 0.00 179.97 180.51 1njf h HIS 185 N 0.98 1.15 -0.23 2.20 2.76 -0.97 -1.64 115.15 119.40 1njf h HIS 185 Ca 0.36 -0.14 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 1njf h HIS 185 Cb 0.11 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1njf h HIS 185 CO -0.03 0.94 -0.35 0.37 -1.30 0.00 0.00 177.93 177.57 1njf h GLN 186 N 1.04 0.49 -0.40 5.26 5.75 -1.15 -1.57 115.11 124.54 1njf h GLN 186 Ca 0.21 -0.22 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 1njf h GLN 186 Cb 0.38 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1njf h GLN 186 CO 0.00 0.78 -0.10 -0.07 -2.65 0.00 0.00 178.83 176.79 1njf h LEU 187 N 0.42 0.67 -0.03 -2.39 3.38 -0.78 -1.57 115.31 115.01 1njf h LEU 187 Ca 0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1njf h LEU 187 Cb 0.80 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1njf h LEU 187 CO 0.07 0.81 0.01 -0.33 0.09 0.00 0.00 178.44 179.08 1njf h GLU 188 N 0.63 0.06 -0.27 1.13 5.08 -0.92 -1.29 114.58 118.99 1njf h GLU 188 Ca 0.11 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1njf h GLU 188 Cb 0.54 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1njf h GLU 188 CO 0.03 0.27 -0.03 1.25 -1.00 0.00 0.00 179.01 179.54 1njf h HIS 189 N -0.17 -0.07 -0.16 4.33 2.76 -1.16 -0.47 115.15 120.21 1njf h HIS 189 Ca 0.01 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1njf h HIS 189 Cb 0.24 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1njf h HIS 189 CO 0.01 -0.08 0.03 0.82 -1.30 0.00 0.00 177.93 177.41 1njf h ILE 190 N 0.05 1.21 -0.41 6.26 2.04 -1.24 -1.30 117.51 124.12 1njf h ILE 190 Ca 0.13 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1njf h ILE 190 Cb 0.18 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1njf h ILE 190 CO -0.25 0.20 -0.01 -0.07 0.00 0.00 0.00 178.15 178.02 1njf h LEU 191 N 0.05 0.64 -0.21 1.44 3.38 -1.13 0.53 115.31 120.01 1njf h LEU 191 Ca 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1njf h LEU 191 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1njf h LEU 191 CO 0.00 0.72 0.03 0.78 0.09 0.00 0.00 178.44 180.07 1njf h ASN 192 N 0.63 0.33 0.28 -0.43 2.35 -0.96 0.35 115.58 118.14 1njf h ASN 192 Ca 0.13 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1njf h ASN 192 Cb 0.42 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1njf h ASN 192 CO 0.02 0.51 -0.20 -0.33 -1.65 0.00 0.00 177.43 175.77 1njf h GLU 193 N 0.15 0.00 0.00 0.81 4.39 -0.94 -2.21 114.58 116.78 1njf h GLU 193 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1njf h GLU 193 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1njf h GLU 193 CO 0.00 0.20 -0.36 0.39 -1.16 0.00 0.00 179.01 178.09 1njf n GLU 194 N -4.07 0.25 -2.61 2.33 -0.58 0.15 -4.94 120.64 111.16 1njf n GLU 194 Ca -0.02 0.12 -0.15 0.00 -0.42 0.00 0.00 57.16 56.69 1njf n GLU 194 Cb 0.28 -1.70 0.01 0.00 -0.57 0.00 0.00 31.44 29.46 1njf n GLU 194 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1njf n HIS 195 N -2.09 -1.11 -3.69 -0.32 8.25 0.04 -5.00 115.22 111.29 1njf n HIS 195 Ca 0.04 0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 57.39 1njf n HIS 195 Cb 0.42 -3.24 -0.09 0.00 1.12 0.00 0.00 29.99 28.21 1njf n HIS 195 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1njf s ILE 196 N -2.88 5.36 0.33 1.59 1.01 -0.73 -5.05 121.20 120.83 1njf s ILE 196 Ca 0.14 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1njf s ILE 196 Cb -0.06 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 1njf s ILE 196 CO 0.17 0.38 1.39 0.00 0.00 0.00 0.00 174.94 176.88 1njf s ALA 197 N 0.79 3.55 -0.04 9.38 0.00 -1.26 -4.65 121.76 129.52 1njf s ALA 197 Ca 0.08 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.21 1njf s ALA 197 Cb -0.13 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1njf s ALA 197 CO 0.02 -0.79 0.44 -3.38 0.00 0.00 0.00 175.76 172.05 1njf s HIS 198 N -0.93 -0.36 -0.17 0.00 -3.43 -1.26 -1.12 115.29 108.01 1njf s HIS 198 Ca 0.52 0.63 -0.07 0.00 -0.80 0.00 0.00 55.06 55.34 1njf s HIS 198 Cb -0.42 0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 30.89 1njf s HIS 198 CO 0.54 -0.45 0.06 -1.21 -2.00 0.00 0.00 174.74 171.69 1njf s GLU 199 N -1.14 3.87 0.31 -0.38 2.02 -0.44 -4.98 118.70 117.97 1njf s GLU 199 Ca -0.12 -0.33 0.08 0.00 0.02 0.00 0.00 54.97 54.62 1njf s GLU 199 Cb -0.03 -3.18 0.90 0.00 0.10 0.00 0.00 34.13 31.91 1njf s GLU 199 CO 0.06 0.34 1.66 -1.35 0.02 0.00 0.00 175.26 175.99 1njf h PRO 200 N 6.46 0.29 -0.46 0.39 0.11 -2.01 0.13 132.00 136.91 1njf h PRO 200 Ca -0.39 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1njf h PRO 200 Cb 1.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1njf h PRO 200 CO 0.69 0.19 0.02 -0.09 -0.21 0.00 0.00 178.00 178.60 1njf h ARG 201 N 0.30 0.74 -0.45 1.05 9.65 -1.97 -2.49 114.38 121.22 1njf h ARG 201 Ca 0.64 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 59.32 1njf h ARG 201 Cb 1.37 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 1njf h ARG 201 CO -0.62 0.74 0.21 0.00 2.80 0.00 0.00 179.97 183.11 1njf h ALA 202 N 1.32 0.58 -0.32 2.80 0.00 -1.29 -1.93 119.26 120.42 1njf h ALA 202 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1njf h ALA 202 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1njf h ALA 202 CO 0.01 0.15 0.04 -0.07 0.00 0.00 0.00 179.25 179.38 1njf h LEU 203 N 0.59 0.45 -0.52 0.00 3.38 -1.31 -0.84 115.31 117.05 1njf h LEU 203 Ca 0.15 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1njf h LEU 203 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1njf h LEU 203 CO -0.02 0.49 -0.06 -0.61 0.09 0.00 0.00 178.44 178.32 1njf h GLN 204 N 0.47 0.96 -0.81 1.13 4.15 -1.13 -0.66 115.11 119.23 1njf h GLN 204 Ca 0.11 -0.34 -0.05 0.00 0.77 0.00 0.00 58.65 59.14 1njf h GLN 204 Cb 0.25 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1njf h GLN 204 CO 0.00 1.01 0.33 -0.07 -1.93 0.00 0.00 178.83 178.17 1njf h LEU 205 N 0.83 1.11 -0.19 -2.39 3.38 -0.57 -1.56 115.31 115.92 1njf h LEU 205 Ca 0.14 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1njf h LEU 205 Cb 0.61 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1njf h LEU 205 CO 0.04 0.98 -0.11 -0.07 0.09 0.00 0.00 178.44 179.37 1njf h LEU 206 N 1.18 0.43 -1.77 1.67 3.38 -1.00 -1.92 115.31 117.27 1njf h LEU 206 Ca 0.27 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1njf h LEU 206 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1njf h LEU 206 CO -0.02 0.76 0.05 0.00 0.09 0.00 0.00 178.44 179.32 1njf h ALA 207 N 0.68 1.82 0.00 1.53 0.00 -0.96 -1.22 119.26 121.11 1njf h ALA 207 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1njf h ALA 207 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1njf h ALA 207 CO 0.03 0.15 -0.71 0.00 0.00 0.00 0.00 179.25 178.72 1njf h ARG 208 N 0.20 0.00 0.00 0.00 3.08 -1.12 -3.20 114.38 113.35 1njf h ARG 208 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1njf h ARG 208 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1njf h ARG 208 CO -0.01 0.71 -0.34 0.00 -1.07 0.00 0.00 179.97 179.26 1njf n ALA 209 N -2.29 2.99 0.30 0.04 0.00 -0.74 -3.54 120.51 117.28 1njf n ALA 209 Ca 0.01 -0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.36 1njf n ALA 209 Cb 0.81 -1.26 0.48 0.00 0.00 0.00 0.00 19.45 19.48 1njf n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1njf h ALA 210 N 2.87 1.00 -6.37 0.00 0.00 -1.24 -3.48 119.26 112.04 1njf h ALA 210 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 1njf h ALA 210 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1njf h ALA 210 CO 0.00 0.00 -0.91 0.39 0.00 0.00 0.00 179.25 178.73 1njf n GLU 211 N -2.93 -2.50 -0.26 0.00 -0.58 -1.23 -1.90 120.64 111.24 1njf n GLU 211 Ca 0.02 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1njf n GLU 211 Cb 0.38 -4.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.90 1njf n GLU 211 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1njf n GLY 212 N -1.84 2.43 3.48 0.62 0.00 -1.26 -5.00 105.19 103.62 1njf n GLY 212 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1njf n GLY 212 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1njf s SER 213 N -3.71 6.02 0.45 1.61 0.15 -0.80 -3.79 113.70 113.64 1njf s SER 213 Ca 0.00 -0.66 0.25 0.00 0.70 0.00 0.00 55.95 56.24 1njf s SER 213 Cb 0.00 -2.13 0.97 0.00 -1.71 0.00 0.00 66.02 63.15 1njf s SER 213 CO 0.00 -0.33 1.84 0.25 1.20 0.00 0.00 173.24 176.20 1njf h LEU 214 N 8.53 0.00 -0.12 3.45 5.85 -1.38 -1.70 115.31 129.95 1njf h LEU 214 Ca -0.29 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1njf h LEU 214 Cb 1.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1njf h LEU 214 CO 0.67 0.20 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.83 1njf h ARG 215 N 0.00 0.24 0.00 1.25 1.12 -1.88 -1.92 114.38 113.20 1njf h ARG 215 Ca -0.00 -0.10 -0.07 0.00 -1.11 0.00 0.00 59.98 58.70 1njf h ARG 215 Cb 0.72 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1njf h ARG 215 CO 0.03 0.58 -0.33 -0.44 -3.11 0.00 0.00 179.97 176.69 1njf h ASP 216 N -0.10 0.00 -0.07 -3.80 5.19 -1.81 -1.95 116.42 113.88 1njf h ASP 216 Ca 0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1njf h ASP 216 Cb 0.50 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1njf h ASP 216 CO 0.02 0.33 0.02 0.00 -3.12 0.00 0.00 179.24 176.49 1njf h ALA 217 N 1.67 0.09 -0.65 3.45 0.00 -1.09 -0.12 119.26 122.60 1njf h ALA 217 Ca -0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1njf h ALA 217 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1njf h ALA 217 CO 0.04 -0.28 0.17 -0.07 0.00 0.00 0.00 179.25 179.11 1njf h LEU 218 N -0.11 0.96 -0.38 0.00 3.38 -1.18 0.99 115.31 118.98 1njf h LEU 218 Ca 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1njf h LEU 218 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1njf h LEU 218 CO 0.00 0.92 0.17 -1.28 0.09 0.00 0.00 178.44 178.33 1njf h SER 219 N 0.98 0.50 -0.36 -0.43 0.87 -1.22 0.38 113.55 114.27 1njf h SER 219 Ca 0.21 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1njf h SER 219 Cb 0.33 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1njf h SER 219 CO -0.00 0.51 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.60 1njf h LEU 220 N 0.46 0.82 -0.39 2.23 3.38 -0.66 -2.02 115.31 119.13 1njf h LEU 220 Ca 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1njf h LEU 220 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1njf h LEU 220 CO -0.01 0.97 0.14 0.74 0.09 0.00 0.00 178.44 180.36 1njf h THR 221 N 0.73 1.21 -0.78 0.22 2.02 -0.56 0.76 112.91 116.51 1njf h THR 221 Ca 0.12 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.68 1njf h THR 221 Cb 0.65 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 1njf h THR 221 CO 0.05 0.23 0.49 0.44 0.37 0.00 0.00 175.52 177.10 1njf h ASP 222 N 0.49 0.79 0.22 4.18 3.32 -0.71 -0.26 116.42 124.46 1njf h ASP 222 Ca 0.13 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1njf h ASP 222 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1njf h ASP 222 CO -0.01 0.54 -0.53 -0.61 -1.72 0.00 0.00 179.24 176.91 1njf h GLN 223 N 0.94 0.33 -0.37 3.56 4.15 -1.06 -1.30 115.11 121.36 1njf h GLN 223 Ca 0.32 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1njf h GLN 223 Cb 0.06 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1njf h GLN 223 CO -0.13 0.78 0.13 0.00 -1.93 0.00 0.00 178.83 177.68 1njf h ALA 224 N 1.18 0.48 0.47 3.38 0.00 0.04 0.16 119.26 124.97 1njf h ALA 224 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1njf h ALA 224 Cb 1.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1njf h ALA 224 CO 0.09 0.10 -0.23 0.82 0.00 0.00 0.00 179.25 180.03 1njf h ILE 225 N 0.45 0.50 -0.91 0.00 2.04 -1.00 0.34 117.51 118.92 1njf h ILE 225 Ca 0.12 -0.31 0.12 0.00 1.00 0.00 0.00 64.86 65.79 1njf h ILE 225 Cb 0.21 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1njf h ILE 225 CO -0.01 0.05 0.59 0.00 0.00 0.00 0.00 178.15 178.78 1njf h ALA 226 N -0.39 1.67 -0.01 1.87 0.00 -1.17 -1.77 119.26 119.46 1njf h ALA 226 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1njf h ALA 226 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1njf h ALA 226 CO 0.11 0.11 -0.31 -1.13 0.00 0.00 0.00 179.25 178.03 1njf n SER 227 N -4.56 1.80 -2.97 0.00 3.41 0.56 -4.55 113.62 107.30 1njf n SER 227 Ca 0.17 -1.38 -0.27 0.00 -0.26 0.00 0.00 58.87 57.12 1njf n SER 227 Cb 0.37 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 1njf n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1njf n GLY 228 N 1.37 5.55 3.47 5.00 0.00 0.12 -4.93 105.19 115.76 1njf n GLY 228 Ca 0.12 -2.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.13 1njf n GLY 228 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1njf n ASP 229 N -0.17 -2.63 -0.09 1.61 9.92 -1.25 -1.27 116.55 122.66 1njf n ASP 229 Ca 0.31 -0.41 -0.01 0.00 -0.53 0.00 0.00 54.79 54.15 1njf n ASP 229 Cb 0.39 -2.23 -0.01 0.00 -0.64 0.00 0.00 41.12 38.63 1njf n ASP 229 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1njf n GLY 230 N -0.99 0.48 3.25 0.44 0.00 -0.83 -5.00 105.19 102.53 1njf n GLY 230 Ca 0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1njf n GLY 230 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1njf s GLN 231 N -0.96 1.50 -0.39 1.61 -2.07 -0.40 -4.58 119.66 114.37 1njf s GLN 231 Ca 0.00 -1.84 0.04 0.00 -1.82 0.00 0.00 55.36 51.74 1njf s GLN 231 Cb 0.00 0.28 0.11 0.00 -1.09 0.00 0.00 33.01 32.31 1njf s GLN 231 CO 0.00 -0.52 0.11 0.08 -1.32 0.00 0.00 175.29 173.64 1njf s VAL 232 N -3.77 2.30 0.07 3.63 1.01 -0.28 -4.11 120.40 119.26 1njf s VAL 232 Ca 0.40 -2.58 0.03 0.00 0.00 0.00 0.00 61.98 59.83 1njf s VAL 232 Cb 0.05 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1njf s VAL 232 CO 0.20 -0.66 0.05 -0.94 0.00 0.00 0.00 175.10 173.75 1njf s SER 233 N 0.60 5.36 0.21 3.32 1.04 -1.26 -1.33 113.70 121.63 1njf s SER 233 Ca 0.13 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1njf s SER 233 Cb -0.21 -1.39 0.26 0.00 0.10 0.00 0.00 66.02 64.78 1njf s SER 233 CO -0.06 0.18 1.78 0.74 0.98 0.00 0.00 173.24 176.86 1njf h THR 234 N 2.75 0.88 0.14 2.02 2.02 -1.93 -0.25 112.91 118.55 1njf h THR 234 Ca -0.47 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1njf h THR 234 Cb 1.17 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1njf h THR 234 CO 0.63 0.10 -0.07 1.56 0.37 0.00 0.00 175.52 178.12 1njf h GLN 235 N 0.56 -0.18 0.35 6.66 4.20 -1.98 0.28 115.11 125.01 1njf h GLN 235 Ca 0.30 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 1njf h GLN 235 Cb 0.28 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1njf h GLN 235 CO -0.23 -0.04 -0.26 0.00 -0.67 0.00 0.00 178.83 177.62 1njf h ALA 236 N 0.59 -0.60 -0.32 3.87 0.00 -1.93 -0.72 119.26 120.14 1njf h ALA 236 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1njf h ALA 236 Cb 0.21 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1njf h ALA 236 CO 0.03 -0.86 0.01 0.28 0.00 0.00 0.00 179.25 178.71 1njf h VAL 237 N -0.61 0.78 -0.80 0.00 2.07 -1.01 0.11 116.25 116.79 1njf h VAL 237 Ca -0.03 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1njf h VAL 237 Cb 0.53 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1njf h VAL 237 CO 0.00 0.02 0.52 -1.28 0.02 0.00 0.00 177.57 176.85 1njf h SER 238 N 0.11 0.70 -0.10 0.57 0.87 -0.22 -0.80 113.55 114.66 1njf h SER 238 Ca 0.15 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 1njf h SER 238 Cb 0.20 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1njf h SER 238 CO -0.25 0.43 -0.54 0.00 -0.53 0.00 0.00 176.83 175.94 1njf h ALA 239 N 1.59 0.21 0.10 6.23 0.00 -0.09 -2.40 119.26 124.89 1njf h ALA 239 Ca 0.36 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1njf h ALA 239 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1njf h ALA 239 CO -0.14 0.41 -0.12 1.98 0.00 0.00 0.00 179.25 181.38 1njf h MET 240 N 0.16 -0.25 0.00 0.00 -1.53 -0.15 -1.54 114.93 111.61 1njf h MET 240 Ca -0.04 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 1njf h MET 240 Cb 1.18 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 32.29 1njf h MET 240 CO 0.11 -0.17 -0.09 -0.07 0.14 0.00 0.00 176.91 176.83 1njf h LEU 241 N -0.26 0.00 0.00 3.39 3.38 -1.26 -3.48 115.31 117.08 1njf h LEU 241 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1njf h LEU 241 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1njf h LEU 241 CO -0.05 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1njf n GLY 242 N -0.58 -1.18 2.83 0.83 0.00 -0.58 -5.10 105.19 101.40 1njf n GLY 242 Ca -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1njf n GLY 242 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95