#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 0.15 -0.63 1.34 3.38 -1.99 -1.94 115.31 115.63 1njf h LEU 6 Ca 0.00 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1njf h LEU 6 Cb 0.00 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1njf h LEU 6 CO 0.00 0.05 0.22 0.00 0.09 0.00 0.00 178.44 178.80 1njf h ALA 7 N 1.54 0.82 -0.08 1.53 0.00 -1.93 0.18 119.26 121.32 1njf h ALA 7 Ca 0.39 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 55.15 1njf h ALA 7 Cb 0.60 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1njf h ALA 7 CO -0.42 -0.21 -0.90 -0.09 0.00 0.00 0.00 179.25 177.62 1njf h ARG 8 N 0.39 0.73 -0.31 0.00 9.65 -1.87 -3.11 114.38 119.86 1njf h ARG 8 Ca 0.33 -0.68 -0.09 0.00 -1.10 0.00 0.00 59.98 58.44 1njf h ARG 8 Cb 0.44 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 1njf h ARG 8 CO -0.34 1.28 -0.18 -0.22 2.80 0.00 0.00 179.97 183.31 1njf h LYS 9 N 0.46 0.56 -0.81 0.20 3.64 -0.89 -3.15 116.57 116.58 1njf h LYS 9 Ca -0.09 -0.19 -0.39 0.00 -1.27 0.00 0.00 60.65 58.72 1njf h LYS 9 Cb 1.54 -0.04 -0.23 0.00 -0.41 0.00 0.00 32.23 33.09 1njf h LYS 9 CO 0.18 0.71 0.43 0.91 -2.27 0.00 0.00 179.45 179.41 1njf n TRP 10 N -4.16 2.52 -2.02 1.91 7.02 0.61 -4.97 117.44 118.34 1njf n TRP 10 Ca 0.00 -1.67 -0.41 0.00 -1.02 0.00 0.00 57.50 54.40 1njf n TRP 10 Cb 0.37 -0.80 -0.02 0.00 -2.42 0.00 0.00 31.31 28.44 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 -3.23 4.27 0.16 -0.99 6.06 -1.18 -4.90 118.95 119.15 1njf s ARG 11 Ca 0.54 2.28 -0.34 0.00 -2.50 0.00 0.00 55.73 55.71 1njf s ARG 11 Cb 0.46 -3.13 -0.14 0.00 0.06 0.00 0.00 34.95 32.19 1njf s ARG 11 CO 0.09 -0.44 1.52 -2.30 -2.50 0.00 0.00 175.30 171.67 1njf n PRO 12 N 2.70 1.99 -0.00 5.12 -0.02 -1.26 -4.88 135.00 138.65 1njf n PRO 12 Ca 0.08 0.72 0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1njf n PRO 12 Cb 0.40 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 1njf n PRO 12 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1njf n GLN 13 N 3.07 2.82 -3.83 -0.52 -0.06 -1.26 -4.90 117.38 112.70 1njf n GLN 13 Ca 0.16 -0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 55.07 1njf n GLN 13 Cb 0.28 -1.10 -0.07 0.00 -4.06 0.00 0.00 30.24 25.29 1njf n GLN 13 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1njf s THR 14 N -2.19 0.13 0.48 1.69 -4.23 -1.26 -4.92 115.64 105.33 1njf s THR 14 Ca 0.05 -1.06 0.13 0.00 -1.18 0.00 0.00 61.69 59.63 1njf s THR 14 Cb 0.09 -1.25 0.26 0.00 1.34 0.00 0.00 72.50 72.95 1njf s THR 14 CO 0.52 -0.58 2.10 -0.26 -0.54 0.00 0.00 174.62 175.85 1njf h PHE 15 N 2.83 0.17 0.00 3.99 0.05 -1.95 -0.78 116.94 121.26 1njf h PHE 15 Ca -0.34 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.44 1njf h PHE 15 Cb 1.20 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 39.09 1njf h PHE 15 CO 0.43 0.13 -0.10 0.00 -0.18 0.00 0.00 178.31 178.59 1njf h ALA 16 N 1.89 1.14 0.00 2.45 0.00 -1.96 -1.92 119.26 120.86 1njf h ALA 16 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1njf h ALA 16 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1njf h ALA 16 CO -0.01 0.12 -0.14 -0.25 0.00 0.00 0.00 179.25 178.98 1njf n ASP 17 N -3.41 0.50 -4.72 0.00 8.00 -0.30 -4.85 116.55 111.78 1njf n ASP 17 Ca -0.01 0.41 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 1njf n ASP 17 Cb 0.26 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1njf n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1njf s VAL 18 N -3.07 3.92 -0.13 2.53 1.01 -0.73 -4.80 120.40 119.14 1njf s VAL 18 Ca 0.11 1.43 -0.23 0.00 0.00 0.00 0.00 61.98 63.30 1njf s VAL 18 Cb 0.15 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1njf s VAL 18 CO 0.60 0.14 0.68 -0.69 0.00 0.00 0.00 175.10 175.83 1njf s VAL 19 N 0.80 5.02 -1.68 2.92 1.01 -1.26 -4.70 120.40 122.51 1njf s VAL 19 Ca 0.57 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 1njf s VAL 19 Cb -0.30 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.17 1njf s VAL 19 CO 0.31 0.18 0.26 0.61 0.00 0.00 0.00 175.10 176.46 1njf n GLY 20 N 3.39 -0.24 2.44 4.51 0.00 -1.26 -4.89 105.19 109.13 1njf n GLY 20 Ca -0.01 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.37 2.76 -0.27 1.61 1.13 -1.26 -4.84 117.38 112.14 1njf n GLN 21 Ca -0.14 -4.00 -0.04 0.00 -1.94 0.00 0.00 57.00 50.88 1njf n GLN 21 Cb 0.60 -1.96 0.02 0.00 0.11 0.00 0.00 30.24 29.00 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 2.55 -0.10 -0.47 -1.09 3.07 -1.94 -0.21 114.58 116.38 1njf h GLU 22 Ca 0.17 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.15 1njf h GLU 22 Cb 1.21 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 1njf h GLU 22 CO 0.65 -0.07 0.33 1.12 -1.40 0.00 0.00 179.01 179.64 1njf h HIS 23 N -0.11 0.14 0.13 4.33 2.07 -1.98 0.28 115.15 120.00 1njf h HIS 23 Ca 0.27 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.61 1njf h HIS 23 Cb 0.57 -0.05 0.02 0.00 2.57 0.00 0.00 27.41 30.52 1njf h HIS 23 CO -0.72 0.07 -0.87 0.28 -3.07 0.00 0.00 177.93 173.62 1njf h VAL 24 N 0.13 1.44 -0.40 6.12 2.07 -1.48 -3.17 116.25 120.97 1njf h VAL 24 Ca 0.22 -2.50 -0.07 0.00 0.82 0.00 0.00 66.70 65.17 1njf h VAL 24 Cb 0.71 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 1njf h VAL 24 CO -0.03 0.70 -0.04 -0.07 0.02 0.00 0.00 177.57 178.16 1njf h LEU 25 N -0.41 0.63 -0.58 2.57 3.38 -0.36 -1.29 115.31 119.25 1njf h LEU 25 Ca -0.16 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 1njf h LEU 25 Cb 1.62 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1njf h LEU 25 CO 0.12 0.73 -0.15 0.74 0.09 0.00 0.00 178.44 179.97 1njf h THR 26 N 0.62 1.27 -0.15 0.22 2.02 -0.61 -1.38 112.91 114.90 1njf h THR 26 Ca 0.12 -1.30 -0.17 0.00 0.77 0.00 0.00 66.41 65.84 1njf h THR 26 Cb 0.44 1.03 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1njf h THR 26 CO 0.02 0.45 -0.56 0.00 0.37 0.00 0.00 175.52 175.81 1njf h ALA 27 N 0.96 0.27 -0.66 6.16 0.00 -1.46 -1.65 119.26 122.87 1njf h ALA 27 Ca 0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1njf h ALA 27 Cb 0.71 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1njf h ALA 27 CO 0.05 0.48 0.17 -0.07 0.00 0.00 0.00 179.25 179.88 1njf h LEU 28 N 0.30 1.00 -0.40 0.00 3.38 -1.25 -1.51 115.31 116.83 1njf h LEU 28 Ca -0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1njf h LEU 28 Cb 1.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1njf h LEU 28 CO 0.12 0.97 0.01 0.00 0.09 0.00 0.00 178.44 179.62 1njf h ALA 29 N 1.07 0.53 -0.17 1.53 0.00 -1.25 0.07 119.26 121.03 1njf h ALA 29 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1njf h ALA 29 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1njf h ALA 29 CO 0.00 0.30 0.10 -0.97 0.00 0.00 0.00 179.25 178.69 1njf h ASN 30 N 0.52 0.20 -0.13 0.00 -1.24 -1.17 0.13 115.58 113.90 1njf h ASN 30 Ca 0.11 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1njf h ASN 30 Cb 0.47 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1njf h ASN 30 CO 0.02 0.19 0.08 1.23 -1.29 0.00 0.00 177.43 177.66 1njf h GLY 31 N 0.20 0.19 0.96 1.57 0.00 -1.18 -2.04 103.07 102.78 1njf h GLY 31 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1njf h GLY 31 CO -0.01 0.06 0.02 1.41 0.00 0.00 0.00 176.54 178.02 1njf h LEU 32 N 0.17 0.03 -1.66 3.11 3.38 -0.78 0.06 115.31 119.62 1njf h LEU 32 Ca 0.05 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1njf h LEU 32 Cb -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1njf h LEU 32 CO -0.01 0.07 0.24 0.77 0.09 0.00 0.00 178.44 179.59 1njf h SER 33 N -0.00 0.39 -0.57 -0.43 4.64 -0.63 -1.99 113.55 114.96 1njf h SER 33 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1njf h SER 33 Cb 0.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1njf h SER 33 CO -0.00 0.28 0.00 0.18 -0.87 0.00 0.00 176.83 176.41 1njf n LEU 34 N -4.48 3.61 -2.32 5.97 4.77 -0.78 -4.94 117.00 118.83 1njf n LEU 34 Ca 0.03 -1.81 -0.20 0.00 -0.03 0.00 0.00 56.01 54.00 1njf n LEU 34 Cb 0.09 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1njf n LEU 34 CO 0.35 0.74 -0.22 0.61 -1.33 0.00 0.00 177.39 177.54 1njf n GLY 35 N 1.22 -0.44 3.27 -0.72 0.00 -0.75 -4.95 105.19 102.82 1njf n GLY 35 Ca 0.21 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1njf n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1njf s ARG 36 N -5.07 3.34 -0.18 1.61 3.52 -0.03 -5.03 118.95 117.10 1njf s ARG 36 Ca 0.04 -2.50 -0.04 0.00 -0.13 0.00 0.00 55.73 53.09 1njf s ARG 36 Cb -0.02 -4.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.10 1njf s ARG 36 CO 0.05 -1.26 -0.02 0.42 -0.81 0.00 0.00 175.30 173.68 1njf s ILE 37 N 0.06 3.89 0.55 4.11 -1.09 -1.26 -4.49 121.20 122.97 1njf s ILE 37 Ca 0.18 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.21 1njf s ILE 37 Cb -0.13 -2.73 -0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1njf s ILE 37 CO -0.07 0.45 0.84 -1.00 -1.23 0.00 0.00 174.94 173.93 1njf s HIS 38 N 0.76 3.30 -0.54 3.97 3.76 -1.26 -4.99 115.29 120.29 1njf s HIS 38 Ca -0.01 0.60 0.24 0.00 -0.15 0.00 0.00 55.06 55.74 1njf s HIS 38 Cb -0.14 -2.59 0.47 0.00 1.11 0.00 0.00 32.58 31.43 1njf s HIS 38 CO 0.02 -0.65 1.60 1.12 -0.85 0.00 0.00 174.74 175.97 1njf h HIS 39 N -0.01 0.00 -2.94 1.40 2.07 -1.91 -3.46 115.15 110.30 1njf h HIS 39 Ca -0.46 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 56.91 1njf h HIS 39 Cb 1.25 0.00 -0.26 0.00 2.57 0.00 0.00 27.41 30.97 1njf h HIS 39 CO 0.49 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 174.99 1njf s ALA 40 N -3.18 -0.78 0.01 6.11 0.00 -1.26 -1.39 121.76 121.27 1njf s ALA 40 Ca 0.08 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.09 1njf s ALA 40 Cb 0.09 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1njf s ALA 40 CO 0.66 -0.17 -0.24 0.71 0.00 0.00 0.00 175.76 176.72 1njf s TYR 41 N 0.45 2.11 -0.11 0.00 1.51 0.14 -1.55 117.35 119.90 1njf s TYR 41 Ca -0.02 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1njf s TYR 41 Cb -0.04 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1njf s TYR 41 CO -0.02 0.03 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.10 1njf s LEU 42 N -0.84 1.87 -0.22 -1.29 0.20 0.95 0.42 118.68 119.77 1njf s LEU 42 Ca 0.09 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.43 1njf s LEU 42 Cb -0.09 -1.20 0.02 0.00 -0.43 0.00 0.00 46.19 44.48 1njf s LEU 42 CO 0.00 0.06 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.65 1njf s PHE 43 N 0.81 2.95 0.32 5.38 0.08 0.11 -0.10 117.98 127.53 1njf s PHE 43 Ca -0.09 -1.52 0.10 0.00 0.12 0.00 0.00 56.93 55.53 1njf s PHE 43 Cb -0.16 -2.00 -0.06 0.00 -0.57 0.00 0.00 43.02 40.23 1njf s PHE 43 CO 0.01 -0.73 -0.10 -1.54 -0.10 0.00 0.00 175.22 172.75 1njf s SER 44 N 1.33 3.82 0.00 1.36 1.04 -0.29 -1.03 113.70 119.92 1njf s SER 44 Ca 0.02 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1njf s SER 44 Cb -0.15 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1njf s SER 44 CO -0.08 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1njf n GLY 45 N -0.78 2.71 0.00 7.32 0.00 -1.03 -0.13 105.19 113.28 1njf n GLY 45 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1njf n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1njf n THR 46 N -1.67 0.00 -2.42 2.61 -2.24 -1.26 -4.03 114.28 105.27 1njf n THR 46 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1njf n THR 46 Cb 0.00 -1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 67.00 1njf n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1njf s ARG 47 N -0.65 4.52 -1.55 -0.78 1.81 -1.26 -4.15 118.95 116.88 1njf s ARG 47 Ca 0.00 1.81 -0.13 0.00 -1.72 0.00 0.00 55.73 55.70 1njf s ARG 47 Cb 0.00 -3.26 0.09 0.00 -0.45 0.00 0.00 34.95 31.33 1njf s ARG 47 CO 0.00 -0.05 0.85 0.41 -0.68 0.00 0.00 175.30 175.83 1njf n GLY 48 N 2.24 -0.43 0.05 -3.53 0.00 -1.26 -4.35 105.19 97.90 1njf n GLY 48 Ca 0.04 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.54 0.00 0.00 1.61 0.24 -1.26 -1.17 118.33 113.21 1njf n VAL 49 Ca -0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1njf n VAL 49 Cb 0.55 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 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 1.43 1.64 0.23 7.63 0.00 -1.26 -4.91 105.19 109.94 1njf n GLY 50 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 0.24 -0.48 -0.44 1.61 1.57 -1.93 -1.36 116.57 115.78 1njf h LYS 51 Ca 0.00 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1njf h LYS 51 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1njf h LYS 51 CO 0.00 -0.32 -0.17 1.15 -0.57 0.00 0.00 179.45 179.54 1njf h THR 52 N -0.49 1.27 -0.11 -0.16 2.02 -1.97 -0.79 112.91 112.67 1njf h THR 52 Ca -0.04 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 65.87 1njf h THR 52 Cb 0.40 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1njf h THR 52 CO 0.05 0.44 -0.00 0.28 0.37 0.00 0.00 175.52 176.66 1njf h SER 53 N 0.76 -0.05 -0.40 4.18 0.02 -1.94 0.82 113.55 116.93 1njf h SER 53 Ca 0.11 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1njf h SER 53 Cb 0.70 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1njf h SER 53 CO 0.05 -0.01 -0.06 0.40 -1.14 0.00 0.00 176.83 176.08 1njf h ILE 54 N 0.03 1.27 -0.70 3.27 2.04 -1.17 -1.42 117.51 120.84 1njf h ILE 54 Ca 0.05 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1njf h ILE 54 Cb 0.06 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1njf h ILE 54 CO -0.09 0.38 0.42 0.00 0.00 0.00 0.00 178.15 178.86 1njf h ALA 55 N 0.86 0.93 -0.67 1.87 0.00 -0.89 -0.29 119.26 121.07 1njf h ALA 55 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1njf h ALA 55 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1njf h ALA 55 CO 0.03 0.16 0.22 -0.09 0.00 0.00 0.00 179.25 179.57 1njf h ARG 56 N 0.81 1.02 -0.44 0.00 2.43 -0.61 -1.02 114.38 116.58 1njf h ARG 56 Ca 0.29 -0.20 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 1njf h ARG 56 Cb 0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1njf h ARG 56 CO -0.14 0.87 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.86 1njf h LEU 57 N 0.99 1.00 -0.45 3.80 3.38 -0.66 -1.08 115.31 122.29 1njf h LEU 57 Ca 0.22 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1njf h LEU 57 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1njf h LEU 57 CO -0.01 1.20 0.29 0.25 0.09 0.00 0.00 178.44 180.26 1njf h LEU 58 N 0.80 0.49 -1.16 1.67 5.85 -0.64 0.78 115.31 123.09 1njf h LEU 58 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1njf h LEU 58 Cb 0.85 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1njf h LEU 58 CO 0.08 0.35 0.44 0.00 -0.34 0.00 0.00 178.44 178.97 1njf h ALA 59 N 1.17 1.37 -0.37 1.25 0.00 -1.04 -0.03 119.26 121.61 1njf h ALA 59 Ca 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1njf h ALA 59 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1njf h ALA 59 CO -0.05 0.54 0.01 -0.22 0.00 0.00 0.00 179.25 179.53 1njf h LYS 60 N 1.04 0.65 -0.06 0.00 3.64 0.15 -2.40 116.57 119.59 1njf h LYS 60 Ca 0.27 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1njf h LYS 60 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1njf h LYS 60 CO -0.05 0.75 -0.25 0.78 -2.27 0.00 0.00 179.45 178.40 1njf h GLY 61 N 0.47 0.12 1.86 5.01 0.00 0.13 -2.26 103.07 108.40 1njf h GLY 61 Ca 0.11 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1njf h GLY 61 CO 0.02 0.08 -0.77 1.41 0.00 0.00 0.00 176.54 177.27 1njf h LEU 62 N 0.10 0.16 -2.29 3.11 3.38 -0.83 -1.01 115.31 117.93 1njf h LEU 62 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1njf h LEU 62 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1njf h LEU 62 CO 0.04 0.87 0.00 0.59 0.09 0.00 0.00 178.44 180.03 1njf n ASN 63 N -3.70 2.51 -4.71 -0.43 3.02 -0.92 -4.65 115.26 106.38 1njf n ASN 63 Ca -0.02 -1.78 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 1njf n ASN 63 Cb 0.74 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 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 5.44 0.00 0.00 0.00 5.08 -1.95 -0.55 114.58 122.60 1njf h GLU 65 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1njf h GLU 65 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1njf h GLU 65 CO 0.85 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 178.75 1njf h THR 66 N 0.00 0.71 0.00 1.13 1.03 -1.99 -3.48 112.91 110.31 1njf h THR 66 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 1njf h THR 66 Cb 0.02 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 1njf h THR 66 CO -0.00 0.11 0.00 0.61 -0.01 0.00 0.00 175.52 176.23 1njf n GLY 67 N -0.92 3.11 3.62 2.99 0.00 -0.22 -5.02 105.19 108.75 1njf n GLY 67 Ca -0.02 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.03 3.33 0.05 -0.61 1.01 -1.26 -4.35 121.20 117.33 1njf s ILE 68 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1njf s ILE 68 Cb 0.00 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1njf s ILE 68 CO 0.00 -0.18 0.10 0.28 0.00 0.00 0.00 174.94 175.14 1njf s THR 69 N 6.36 0.14 -2.32 2.92 -1.32 -0.38 -4.82 115.64 116.22 1njf s THR 69 Ca 0.85 -1.18 0.28 0.00 -1.21 0.00 0.00 61.69 60.43 1njf s THR 69 Cb -0.30 -1.03 0.64 0.00 -1.51 0.00 0.00 72.50 70.31 1njf s THR 69 CO 0.34 -0.65 1.86 0.00 -2.21 0.00 0.00 174.62 173.96 1njf n ALA 70 N 0.58 2.60 -3.36 11.08 0.00 -1.26 -4.26 120.51 125.90 1njf n ALA 70 Ca -0.18 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.63 1njf n ALA 70 Cb 0.59 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.18 0.29 -1.57 0.00 -2.24 -1.26 -4.67 114.28 104.66 1njf n THR 71 Ca 0.20 -4.33 -0.46 0.00 -2.27 0.00 0.00 64.05 57.18 1njf n THR 71 Cb 0.27 -1.97 -0.03 0.00 -2.10 0.00 0.00 70.33 66.51 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 1.54 1.15 -0.12 -0.78 -0.02 -1.26 -4.83 135.00 130.68 1njf n PRO 72 Ca 0.25 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 1njf n PRO 72 Cb 0.47 -1.79 0.24 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.05 1.14 0.00 0.00 0.00 -1.26 -4.84 105.19 99.18 1njf n GLY 74 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 0.00 -1.58 1.61 0.24 -1.26 -4.53 118.33 110.81 1njf n VAL 75 Ca 0.00 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.34 61.56 1njf n VAL 75 Cb 0.00 0.94 0.07 0.00 -1.47 0.00 0.00 33.84 33.39 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 -0.93 0.84 -0.16 0.00 3.32 -1.99 -0.60 116.42 116.90 1njf h ASP 77 Ca -0.46 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.61 1njf h ASP 77 Cb 1.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1njf h ASP 77 CO 0.59 0.59 0.00 0.78 -1.72 0.00 0.00 179.24 179.48 1njf h ASN 78 N 0.99 -0.06 -0.48 6.45 4.21 -1.93 -0.03 115.58 124.74 1njf h ASN 78 Ca 0.29 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.84 1njf h ASN 78 Cb -0.05 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 1njf h ASN 78 CO -0.09 -0.01 0.31 0.00 -1.29 0.00 0.00 177.43 176.36 1njf h ARG 80 N 0.65 0.68 -0.60 0.00 3.08 -0.79 -2.08 114.38 115.32 1njf h ARG 80 Ca 0.17 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1njf h ARG 80 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1njf h ARG 80 CO -0.04 0.65 0.13 0.93 -1.07 0.00 0.00 179.97 180.57 1njf h GLU 81 N 0.58 0.97 -0.54 0.04 5.08 -0.87 -0.72 114.58 119.12 1njf h GLU 81 Ca 0.15 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1njf h GLU 81 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1njf h GLU 81 CO -0.01 0.90 0.35 0.82 -1.00 0.00 0.00 179.01 180.07 1njf h ILE 82 N 0.88 1.15 -0.60 3.13 2.04 -1.21 0.16 117.51 123.06 1njf h ILE 82 Ca 0.19 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1njf h ILE 82 Cb 0.37 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1njf h ILE 82 CO 0.00 0.14 0.31 -0.08 0.00 0.00 0.00 178.15 178.53 1njf h GLU 83 N 0.73 0.55 0.00 2.37 4.57 -0.99 -0.63 114.58 121.19 1njf h GLU 83 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1njf h GLU 83 Cb -0.06 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1njf h GLU 83 CO -0.04 0.37 0.00 1.04 -1.18 0.00 0.00 179.01 179.20 1njf n GLN 84 N -4.86 0.22 -1.07 1.92 6.02 -0.31 -4.88 117.38 114.43 1njf n GLN 84 Ca 0.07 0.34 -0.02 0.00 -0.01 0.00 0.00 57.00 57.38 1njf n GLN 84 Cb 0.18 -1.85 -0.01 0.00 1.02 0.00 0.00 30.24 29.58 1njf n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1njf n GLY 85 N 0.51 0.57 1.60 1.08 0.00 0.36 -4.92 105.19 104.40 1njf n GLY 85 Ca 0.03 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1njf n GLY 85 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1njf n ARG 86 N -2.92 3.01 -3.47 1.61 3.00 -0.03 -5.00 116.66 112.85 1njf n ARG 86 Ca -0.02 -3.90 -0.38 0.00 -0.00 0.00 0.00 57.85 53.54 1njf n ARG 86 Cb 0.08 -2.09 -0.09 0.00 0.00 0.00 0.00 32.46 30.37 1njf n ARG 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1njf s PHE 87 N -3.49 3.31 0.59 -0.14 5.36 -1.19 -4.84 117.98 117.58 1njf s PHE 87 Ca 0.47 0.41 0.29 0.00 -0.96 0.00 0.00 56.93 57.14 1njf s PHE 87 Cb 0.40 -2.46 1.66 0.00 -0.34 0.00 0.00 43.02 42.28 1njf s PHE 87 CO 0.01 -0.07 2.12 -0.24 -1.46 0.00 0.00 175.22 175.57 1njf h VAL 88 N 5.17 0.49 -0.59 3.12 3.04 -1.95 -2.33 116.25 123.20 1njf h VAL 88 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1njf h VAL 88 Cb 1.17 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1njf h VAL 88 CO 0.66 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.69 1njf n ASP 89 N -3.83 4.48 -3.95 3.17 8.00 -1.26 -4.69 116.55 118.47 1njf n ASP 89 Ca 0.01 -2.44 -0.30 0.00 0.71 0.00 0.00 54.79 52.77 1njf n ASP 89 Cb 0.30 -0.54 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 1njf n ASP 89 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1njf s LEU 90 N -1.82 4.29 -0.46 0.64 2.96 -0.88 0.35 118.68 123.77 1njf s LEU 90 Ca 0.48 -2.45 -0.19 0.00 -0.22 0.00 0.00 54.13 51.74 1njf s LEU 90 Cb 0.31 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.49 1njf s LEU 90 CO 0.23 -0.32 0.59 -0.63 -1.32 0.00 0.00 176.35 174.89 1njf s ILE 91 N 0.50 4.91 -0.16 6.68 1.01 0.16 -4.73 121.20 129.57 1njf s ILE 91 Ca 0.13 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 1njf s ILE 91 Cb -0.22 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 1njf s ILE 91 CO -0.06 -0.62 0.72 -1.61 0.00 0.00 0.00 174.94 173.37 1njf s GLU 92 N 2.59 4.29 -0.08 2.79 2.02 -1.26 -1.32 118.70 127.73 1njf s GLU 92 Ca 0.18 0.83 0.05 0.00 0.02 0.00 0.00 54.97 56.04 1njf s GLU 92 Cb -0.16 -3.55 -0.01 0.00 0.10 0.00 0.00 34.13 30.51 1njf s GLU 92 CO 0.15 -0.21 -0.23 0.42 0.02 0.00 0.00 175.26 175.42 1njf s ILE 93 N 1.77 2.22 -0.45 -1.63 1.01 0.10 -4.96 121.20 119.27 1njf s ILE 93 Ca 0.34 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1njf s ILE 93 Cb -0.16 -1.84 0.12 0.00 0.01 0.00 0.00 42.46 40.59 1njf s ILE 93 CO 0.13 0.56 0.24 -0.62 0.00 0.00 0.00 174.94 175.25 1njf s ASP 94 N 0.02 5.15 0.56 3.58 2.15 -1.26 -0.57 116.67 126.29 1njf s ASP 94 Ca -0.08 -2.27 0.34 0.00 0.43 0.00 0.00 52.55 50.97 1njf s ASP 94 Cb -0.15 -1.80 1.63 0.00 -0.30 0.00 0.00 42.92 42.30 1njf s ASP 94 CO 0.05 -0.47 2.10 0.00 -0.17 0.00 0.00 175.17 176.68 1njf h ALA 95 N 7.71 1.08 -0.00 3.66 0.00 -1.67 -2.61 119.26 127.42 1njf h ALA 95 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1njf h ALA 95 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1njf h ALA 95 CO 0.68 0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.87 1njf n ALA 96 N -2.15 2.76 -2.69 0.00 0.00 -1.26 -4.59 120.51 112.58 1njf n ALA 96 Ca -0.01 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 1njf n ALA 96 Cb 0.24 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.62 7.13 0.45 0.00 0.15 -0.99 -4.93 113.70 112.89 1njf s SER 97 Ca 0.25 1.38 0.25 0.00 0.70 0.00 0.00 55.95 58.52 1njf s SER 97 Cb 0.20 -2.50 0.84 0.00 -1.71 0.00 0.00 66.02 62.84 1njf s SER 97 CO 0.51 -0.36 1.79 0.03 1.20 0.00 0.00 173.24 176.40 1njf h ARG 98 N 7.09 0.00 0.00 5.44 3.08 -1.90 -3.27 114.38 124.83 1njf h ARG 98 Ca -0.33 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.46 1njf h ARG 98 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1njf h ARG 98 CO 0.82 0.17 -1.43 1.15 -1.07 0.00 0.00 179.97 179.61 1njf h THR 99 N 0.00 1.14 -0.85 2.04 2.02 -1.96 -3.37 112.91 111.93 1njf h THR 99 Ca -0.00 -2.93 -0.42 0.00 0.77 0.00 0.00 66.41 63.83 1njf h THR 99 Cb 0.80 2.56 -0.25 0.00 -1.74 0.00 0.00 68.15 69.52 1njf h THR 99 CO 0.02 0.65 0.48 0.29 0.37 0.00 0.00 175.52 177.33 1njf n LYS 100 N -3.15 2.36 -0.27 6.66 5.02 -1.23 -4.66 118.16 122.88 1njf n LYS 100 Ca -0.10 -3.05 -0.02 0.00 -2.02 0.00 0.00 58.31 53.11 1njf n LYS 100 Cb 1.00 -2.12 0.15 0.00 -0.02 0.00 0.00 35.03 34.05 1njf n LYS 100 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1njf h VAL 101 N 1.21 1.23 0.12 -0.18 -1.51 -1.73 -0.07 116.25 115.31 1njf h VAL 101 Ca 0.52 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 1njf h VAL 101 Cb 2.59 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1njf h VAL 101 CO 0.93 0.26 -0.06 -0.08 -1.23 0.00 0.00 177.57 177.40 1njf h GLU 102 N 1.13 -0.15 -0.94 5.19 4.81 -1.93 -2.38 114.58 120.31 1njf h GLU 102 Ca 0.29 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.69 1njf h GLU 102 Cb 0.01 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 1njf h GLU 102 CO -0.05 0.34 0.60 -0.44 -0.73 0.00 0.00 179.01 178.73 1njf h ASP 103 N -0.78 0.70 0.05 1.04 3.32 -1.89 0.35 116.42 119.21 1njf h ASP 103 Ca -0.02 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1njf h ASP 103 Cb 0.56 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1njf h ASP 103 CO 0.03 0.32 -0.02 0.74 -1.72 0.00 0.00 179.24 178.58 1njf h THR 104 N 0.72 0.99 -0.13 0.35 2.02 -1.01 -1.17 112.91 114.69 1njf h THR 104 Ca 0.49 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.54 1njf h THR 104 Cb 0.79 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1njf h THR 104 CO -0.25 0.03 0.07 -0.09 0.37 0.00 0.00 175.52 175.64 1njf h ARG 105 N -0.12 0.18 0.11 6.66 2.43 -0.53 -2.95 114.38 120.15 1njf h ARG 105 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1njf h ARG 105 Cb 0.10 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1njf h ARG 105 CO 0.01 0.21 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.19 1njf h ASP 106 N 0.10 -0.13 -1.01 -3.80 3.32 -0.32 -2.38 116.42 112.21 1njf h ASP 106 Ca 0.04 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.05 1njf h ASP 106 Cb 0.09 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 1njf h ASP 106 CO -0.01 0.07 0.64 -0.07 -1.72 0.00 0.00 179.24 178.15 1njf h LEU 107 N -0.32 0.96 -0.80 1.55 3.38 -1.28 -0.52 115.31 118.27 1njf h LEU 107 Ca -0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1njf h LEU 107 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1njf h LEU 107 CO 0.03 0.54 -0.29 -0.07 0.09 0.00 0.00 178.44 178.74 1njf h LEU 108 N 1.05 0.00 0.00 1.67 3.38 -1.45 -2.62 115.31 117.33 1njf h LEU 108 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1njf h LEU 108 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1njf h LEU 108 CO -0.24 0.29 -0.33 0.47 0.09 0.00 0.00 178.44 178.71 1njf n ASP 109 N -3.35 0.39 -3.15 -0.43 8.00 -0.34 -4.33 116.55 113.33 1njf n ASP 109 Ca 0.01 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.37 1njf n ASP 109 Cb 0.51 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.63 1.93 -4.72 -2.24 3.02 -0.40 -5.08 115.26 106.14 1njf n ASN 110 Ca 0.06 -3.17 -0.42 0.00 -0.03 0.00 0.00 54.58 51.02 1njf n ASN 110 Cb 0.36 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.72 2.21 -0.75 2.41 1.01 -1.20 -4.86 120.40 116.49 1njf s VAL 111 Ca 0.41 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 1njf s VAL 111 Cb 0.28 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.66 1njf s VAL 111 CO -0.09 0.01 1.07 -1.10 0.00 0.00 0.00 175.10 174.98 1njf s GLN 112 N 1.33 3.25 0.44 2.72 -0.21 -1.26 -4.91 119.66 121.02 1njf s GLN 112 Ca 0.74 -0.98 0.30 0.00 0.02 0.00 0.00 55.36 55.45 1njf s GLN 112 Cb -0.48 -4.45 1.56 0.00 1.00 0.00 0.00 33.01 30.64 1njf s GLN 112 CO 0.32 -1.87 1.93 1.88 -2.12 0.00 0.00 175.29 175.42 1njf h TYR 113 N 9.49 0.00 -3.11 0.91 -1.99 -1.93 -3.41 116.97 116.93 1njf h TYR 113 Ca -0.16 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 59.93 1njf h TYR 113 Cb 1.05 0.00 -0.35 0.00 2.00 0.00 0.00 36.73 39.43 1njf h TYR 113 CO 1.05 0.00 -0.85 0.00 -0.00 0.00 0.00 178.16 178.36 1njf s ALA 114 N -3.71 2.08 0.61 3.88 0.00 -1.26 -4.64 121.76 118.72 1njf s ALA 114 Ca -0.02 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 1njf s ALA 114 Cb 0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1njf s ALA 114 CO 0.33 -0.32 1.30 -2.14 0.00 0.00 0.00 175.76 174.93 1njf s PRO 115 N 1.32 2.77 -0.07 0.00 0.02 -1.26 -4.94 135.00 132.84 1njf s PRO 115 Ca 0.03 2.09 0.15 0.00 0.02 0.00 0.00 61.00 63.29 1njf s PRO 115 Cb -0.13 -1.97 -0.23 0.00 0.02 0.00 0.00 34.50 32.19 1njf s PRO 115 CO -0.10 -1.44 0.52 0.00 -0.33 0.00 0.00 177.00 175.65 1njf n ALA 116 N -1.62 1.56 0.08 -1.55 0.00 -1.26 -4.84 120.51 112.88 1njf n ALA 116 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1njf n ALA 116 Cb 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1njf n ALA 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1njf n ARG 117 N -2.94 0.00 -1.79 0.00 3.00 -1.26 -5.11 116.66 108.56 1njf n ARG 117 Ca -0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.36 1njf n ARG 117 Cb 1.05 -0.35 0.15 0.00 0.00 0.00 0.00 32.46 33.32 1njf n ARG 117 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1njf s GLY 118 N -4.33 1.67 0.35 5.14 0.00 -1.26 -4.96 107.32 103.93 1njf s GLY 118 Ca 0.00 -0.91 0.27 0.00 0.00 0.00 0.00 44.72 44.08 1njf s GLY 118 CO 0.00 -0.25 1.78 0.07 0.00 0.00 0.00 173.10 174.71 1njf h ARG 119 N -1.52 0.00 -5.20 2.90 0.11 -1.86 -3.43 114.38 105.38 1njf h ARG 119 Ca -0.46 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.24 1njf h ARG 119 Cb 1.28 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.15 1njf h ARG 119 CO 0.50 0.00 -0.77 -0.06 0.10 0.00 0.00 179.97 179.74 1njf s PHE 120 N -3.35 1.11 -0.35 4.08 0.08 -1.26 -4.76 117.98 113.53 1njf s PHE 120 Ca 0.05 -0.47 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 1njf s PHE 120 Cb 0.09 -0.63 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1njf s PHE 120 CO 0.52 0.03 0.23 0.21 -0.10 0.00 0.00 175.22 176.11 1njf s LYS 121 N -1.72 3.36 -0.16 0.44 2.36 0.85 -4.81 119.74 120.07 1njf s LYS 121 Ca -0.03 -0.73 -0.05 0.00 -2.55 0.00 0.00 55.97 52.61 1njf s LYS 121 Cb -0.10 -3.79 -0.03 0.00 -1.05 0.00 0.00 37.83 32.86 1njf s LYS 121 CO 0.02 -0.49 -0.00 0.08 1.55 0.00 0.00 175.35 176.50 1njf s VAL 122 N 1.69 4.23 -0.16 4.02 1.01 0.16 -1.08 120.40 130.26 1njf s VAL 122 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1njf s VAL 122 Cb -0.18 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1njf s VAL 122 CO 0.10 0.50 -0.08 -0.31 0.00 0.00 0.00 175.10 175.30 1njf s TYR 123 N 0.22 2.92 -0.25 5.22 1.51 -0.11 0.36 117.35 127.22 1njf s TYR 123 Ca -0.00 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1njf s TYR 123 Cb -0.13 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1njf s TYR 123 CO 0.02 -0.24 -0.08 -1.17 -1.11 0.00 0.00 175.55 172.96 1njf s LEU 124 N 0.64 3.21 -0.28 -1.29 1.98 -0.44 -0.44 118.68 122.06 1njf s LEU 124 Ca -0.05 -1.03 -0.05 0.00 -2.89 0.00 0.00 54.13 50.12 1njf s LEU 124 Cb -0.15 -1.62 0.02 0.00 0.66 0.00 0.00 46.19 45.10 1njf s LEU 124 CO 0.03 -0.14 0.04 -0.63 -1.89 0.00 0.00 176.35 173.75 1njf s ILE 125 N 1.25 3.59 0.26 6.68 1.01 -0.42 0.01 121.20 133.59 1njf s ILE 125 Ca -0.02 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1njf s ILE 125 Cb -0.17 -2.86 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 1njf s ILE 125 CO -0.05 0.10 0.91 -1.81 0.00 0.00 0.00 174.94 174.09 1njf s ASP 126 N 1.43 7.47 -1.29 3.58 -0.00 0.26 -1.37 116.67 126.75 1njf s ASP 126 Ca 0.01 1.84 -0.22 0.00 -0.00 0.00 0.00 52.55 54.18 1njf s ASP 126 Cb -0.17 -2.57 0.02 0.00 -0.00 0.00 0.00 42.92 40.20 1njf s ASP 126 CO 0.00 0.07 0.53 -0.62 -0.00 0.00 0.00 175.17 175.15 1njf n GLU 127 N 1.09 -0.79 0.30 8.23 -0.58 -0.82 -2.26 120.64 125.80 1njf n GLU 127 Ca -0.01 0.16 0.19 0.00 -0.42 0.00 0.00 57.16 57.08 1njf n GLU 127 Cb 0.49 -3.15 1.02 0.00 -0.57 0.00 0.00 31.44 29.23 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 -2.29 0.17 0.00 2.62 3.04 -1.37 -1.49 116.25 116.93 1njf h VAL 128 Ca -0.69 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1njf h VAL 128 Cb 1.40 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1njf h VAL 128 CO 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.12 1njf n HIS 129 N -3.30 0.09 0.71 3.17 1.44 -1.26 -2.68 115.22 113.39 1njf n HIS 129 Ca -0.02 0.03 0.09 0.00 -2.01 0.00 0.00 57.72 55.81 1njf n HIS 129 Cb 0.19 -0.55 0.25 0.00 0.12 0.00 0.00 29.99 29.99 1njf n HIS 129 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1njf n MET 130 N -1.58 2.01 -1.89 -1.40 2.81 -0.56 -4.87 117.12 111.63 1njf n MET 130 Ca 0.04 -1.55 -0.33 0.00 -1.81 0.00 0.00 57.70 54.05 1njf n MET 130 Cb 0.21 -1.38 0.03 0.00 -0.71 0.00 0.00 33.22 31.38 1njf n MET 130 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1njf s LEU 131 N -1.19 3.48 0.85 4.03 1.43 -1.09 -4.81 118.68 121.38 1njf s LEU 131 Ca 0.31 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1njf s LEU 131 Cb 0.17 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.93 1njf s LEU 131 CO 0.23 -1.51 1.09 -0.94 0.23 0.00 0.00 176.35 175.46 1njf s SER 132 N -2.40 3.87 0.34 2.29 1.04 -1.26 -4.80 113.70 112.78 1njf s SER 132 Ca 0.68 1.55 0.04 0.00 0.48 0.00 0.00 55.95 58.70 1njf s SER 132 Cb -0.21 -2.24 0.63 0.00 0.10 0.00 0.00 66.02 64.30 1njf s SER 132 CO 0.38 -2.40 1.90 -0.09 0.98 0.00 0.00 173.24 174.01 1njf h ARG 133 N -1.38 0.56 0.23 4.02 2.43 -1.99 -1.02 114.38 117.23 1njf h ARG 133 Ca -0.48 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1njf h ARG 133 Cb 1.27 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1njf h ARG 133 CO 0.54 0.54 -0.25 1.25 -1.51 0.00 0.00 179.97 180.54 1njf h HIS 134 N 0.54 -0.67 -0.36 2.20 2.76 -2.00 -2.49 115.15 115.14 1njf h HIS 134 Ca 0.12 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1njf h HIS 134 Cb 0.26 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1njf h HIS 134 CO 0.01 -0.37 -0.07 0.77 -1.30 0.00 0.00 177.93 176.97 1njf h SER 135 N -0.52 0.58 -0.23 3.26 0.02 -1.83 -1.93 113.55 112.90 1njf h SER 135 Ca -0.00 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1njf h SER 135 Cb 0.49 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.83 1njf h SER 135 CO -0.07 0.69 -0.13 -0.26 -1.14 0.00 0.00 176.83 175.93 1njf h PHE 136 N 0.56 -0.32 -0.24 3.45 0.04 -0.93 0.30 116.94 119.80 1njf h PHE 136 Ca 0.11 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 1njf h PHE 136 Cb 0.46 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1njf h PHE 136 CO 0.02 -0.19 -0.10 -0.91 -0.60 0.00 0.00 178.31 176.52 1njf h ASN 137 N -0.11 0.37 -0.15 2.17 2.35 -1.16 0.31 115.58 119.36 1njf h ASN 137 Ca 0.13 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1njf h ASN 137 Cb 0.30 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1njf h ASN 137 CO -0.30 0.51 0.07 0.00 -1.65 0.00 0.00 177.43 176.06 1njf h ALA 138 N 1.53 0.19 0.06 -0.83 0.00 -0.43 -1.11 119.26 118.67 1njf h ALA 138 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1njf h ALA 138 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1njf h ALA 138 CO 0.02 -0.23 -0.03 1.25 0.00 0.00 0.00 179.25 180.26 1njf h LEU 139 N 0.10 -0.06 -0.18 0.00 5.85 0.26 -2.55 115.31 118.72 1njf h LEU 139 Ca 0.05 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1njf h LEU 139 Cb 0.14 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 1njf h LEU 139 CO -0.01 0.04 -0.43 0.25 -0.34 0.00 0.00 178.44 177.95 1njf h LEU 140 N -0.16 -1.36 -0.90 2.25 6.46 -0.35 0.67 115.31 121.91 1njf h LEU 140 Ca -0.01 0.18 0.24 0.00 -0.12 0.00 0.00 57.88 58.17 1njf h LEU 140 Cb 0.14 0.56 -0.13 0.00 -0.73 0.00 0.00 40.66 40.50 1njf h LEU 140 CO 0.01 -0.42 0.36 0.50 -0.62 0.00 0.00 178.44 178.28 1njf h LYS 141 N -0.47 0.31 -0.15 1.25 3.64 -1.09 0.40 116.57 120.47 1njf h LYS 141 Ca 0.08 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.27 1njf h LYS 141 Cb 0.62 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1njf h LYS 141 CO -0.43 0.21 -0.65 1.15 -2.27 0.00 0.00 179.45 177.46 1njf h THR 142 N 0.32 1.33 0.00 1.00 2.02 -0.82 -2.50 112.91 114.27 1njf h THR 142 Ca 0.58 -1.94 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 1njf h THR 142 Cb 1.16 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1njf h THR 142 CO -0.58 0.60 -0.10 -0.07 0.37 0.00 0.00 175.52 175.74 1njf h LEU 143 N 0.40 0.00 0.06 2.58 3.38 0.16 -2.41 115.31 119.48 1njf h LEU 143 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1njf h LEU 143 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1njf h LEU 143 CO 0.12 0.10 -1.24 -0.33 0.09 0.00 0.00 178.44 177.18 1njf h GLU 144 N 0.00 0.13 -2.19 1.13 5.08 -0.22 -3.36 114.58 115.14 1njf h GLU 144 Ca -0.00 -0.22 -0.58 0.00 -1.00 0.00 0.00 59.36 57.55 1njf h GLU 144 Cb 0.74 0.08 -0.42 0.00 0.50 0.00 0.00 28.75 29.66 1njf h GLU 144 CO 0.01 1.04 -0.70 -1.91 -1.00 0.00 0.00 179.01 176.45 1njf n GLU 145 N -3.40 2.49 -1.50 2.33 2.13 -0.95 -5.07 120.64 116.67 1njf n GLU 145 Ca -0.07 -4.51 -0.32 0.00 0.66 0.00 0.00 57.16 52.92 1njf n GLU 145 Cb 1.00 -2.11 -0.18 0.00 0.27 0.00 0.00 31.44 30.41 1njf n GLU 145 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1njf n PRO 146 N 0.48 0.02 -1.74 5.31 -0.02 -0.92 -4.82 135.00 133.30 1njf n PRO 146 Ca 0.29 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1njf n PRO 146 Cb 0.43 -1.32 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 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 7.18 2.76 -2.21 0.52 -0.02 -1.26 -4.95 135.00 137.02 1njf n PRO 147 Ca 0.66 0.99 -0.30 0.00 -2.02 0.00 0.00 63.50 62.83 1njf n PRO 147 Cb 0.09 -2.80 -0.00 0.00 -0.02 0.00 0.00 33.50 30.76 1njf n PRO 147 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1njf s GLU 148 N 0.10 3.67 0.00 -0.52 2.56 -1.26 -3.23 118.70 120.02 1njf s GLU 148 Ca 0.68 0.65 0.00 0.00 0.00 0.00 0.00 54.97 56.30 1njf s GLU 148 Cb -0.49 -2.18 0.00 0.00 2.00 0.00 0.00 34.13 33.46 1njf s GLU 148 CO 0.42 -0.39 0.00 0.72 -0.56 0.00 0.00 175.26 175.45 1njf n HIS 149 N -2.31 0.00 -4.60 5.30 8.25 -1.26 -4.84 115.22 115.76 1njf n HIS 149 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1njf n HIS 149 Cb 0.54 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.49 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 -3.40 1.95 0.02 1.59 1.01 -1.20 0.29 120.40 120.67 1njf s VAL 150 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1njf s VAL 150 Cb 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1njf s VAL 150 CO 0.00 0.53 -0.25 -0.54 0.00 0.00 0.00 175.10 174.84 1njf s LYS 151 N 0.88 1.85 -0.19 2.72 -0.14 -0.24 -4.74 119.74 119.87 1njf s LYS 151 Ca -0.06 -1.01 -0.02 0.00 -1.36 0.00 0.00 55.97 53.52 1njf s LYS 151 Cb -0.15 -1.93 -0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1njf s LYS 151 CO -0.03 0.51 -0.09 -0.06 -0.76 0.00 0.00 175.35 174.92 1njf s PHE 152 N -0.72 2.89 -0.33 3.18 0.08 -0.49 -0.94 117.98 121.66 1njf s PHE 152 Ca 0.10 -1.04 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 1njf s PHE 152 Cb -0.10 -2.02 0.07 0.00 -0.57 0.00 0.00 43.02 40.41 1njf s PHE 152 CO 0.01 -0.54 0.04 -0.51 -0.10 0.00 0.00 175.22 174.12 1njf s LEU 153 N 1.23 4.32 0.04 -0.37 1.43 0.42 0.28 118.68 126.02 1njf s LEU 153 Ca 0.02 -1.62 -0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1njf s LEU 153 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1njf s LEU 153 CO -0.04 -0.34 0.17 -0.76 0.23 0.00 0.00 176.35 175.61 1njf s LEU 154 N 1.15 4.22 0.04 1.79 1.43 0.17 -1.30 118.68 126.18 1njf s LEU 154 Ca 0.00 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1njf s LEU 154 Cb -0.20 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 1njf s LEU 154 CO -0.03 0.21 -0.10 0.00 0.23 0.00 0.00 176.35 176.65 1njf s ALA 155 N -1.41 0.81 -0.23 4.21 0.00 -0.47 0.08 121.76 124.75 1njf s ALA 155 Ca 0.31 -0.78 -0.28 0.00 0.00 0.00 0.00 51.96 51.21 1njf s ALA 155 Cb -0.13 -0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.10 1njf s ALA 155 CO 0.23 0.08 1.14 -0.08 0.00 0.00 0.00 175.76 177.13 1njf s THR 156 N -1.13 0.00 -1.46 0.00 -1.32 -0.19 -1.39 115.64 110.16 1njf s THR 156 Ca -0.05 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.68 1njf s THR 156 Cb -0.09 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.97 1njf s THR 156 CO 0.01 0.00 1.34 0.35 -2.21 0.00 0.00 174.62 174.11 1njf n THR 157 N 1.11 0.00 -3.19 5.08 -2.24 -1.26 -2.47 114.28 111.31 1njf n THR 157 Ca -0.09 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 1njf n THR 157 Cb 0.58 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.93 -0.08 -0.10 3.42 4.64 -1.26 -4.65 116.55 117.60 1njf n ASP 158 Ca 0.08 -2.68 0.19 0.00 -1.38 0.00 0.00 54.79 51.01 1njf n ASP 158 Cb 0.36 -0.50 0.61 0.00 -1.04 0.00 0.00 41.12 40.55 1njf n ASP 158 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1njf h PRO 159 N 4.21 0.18 -0.01 -0.67 0.13 -1.97 -1.46 132.00 132.41 1njf h PRO 159 Ca 0.09 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1njf h PRO 159 Cb 0.89 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1njf h PRO 159 CO 0.44 0.12 -0.13 1.96 -0.23 0.00 0.00 178.00 180.16 1njf h GLN 160 N 0.18 0.02 0.00 0.86 4.20 -1.99 -0.68 115.11 117.70 1njf h GLN 160 Ca 0.33 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1njf h GLN 160 Cb 1.03 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1njf h GLN 160 CO -0.06 0.15 0.00 1.63 -0.67 0.00 0.00 178.83 179.88 1njf n LYS 161 N -4.38 0.18 -3.40 1.46 4.76 -0.55 -4.73 118.16 111.51 1njf n LYS 161 Ca -0.02 0.16 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 1njf n LYS 161 Cb 0.21 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.84 1njf n LYS 161 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1njf s LEU 162 N -2.61 4.46 0.06 -0.35 1.43 -0.26 -4.94 118.68 116.45 1njf s LEU 162 Ca 0.13 1.03 -0.35 0.00 -1.03 0.00 0.00 54.13 53.90 1njf s LEU 162 Cb 0.09 -2.70 -0.14 0.00 0.03 0.00 0.00 46.19 43.48 1njf s LEU 162 CO 0.22 0.25 1.62 -2.65 0.23 0.00 0.00 176.35 176.02 1njf n PRO 163 N 2.13 1.90 0.29 1.29 -0.02 -1.26 -4.80 135.00 134.53 1njf n PRO 163 Ca -0.12 0.69 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 1njf n PRO 163 Cb 0.52 -2.45 1.06 0.00 -0.02 0.00 0.00 33.50 32.61 1njf n PRO 163 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1njf h VAL 164 N 4.11 0.00 -0.01 -1.45 -1.51 -1.94 -0.83 116.25 114.63 1njf h VAL 164 Ca -0.46 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 64.89 1njf h VAL 164 Cb 1.28 0.86 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1njf h VAL 164 CO 0.89 0.00 -0.54 0.71 -1.23 0.00 0.00 177.57 177.40 1njf h THR 165 N 0.00 1.39 0.01 7.19 1.35 -1.99 -2.07 112.91 118.78 1njf h THR 165 Ca 0.00 -1.85 -0.16 0.00 -0.55 0.00 0.00 66.41 63.85 1njf h THR 165 Cb 0.01 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1njf h THR 165 CO 0.00 0.53 -0.88 0.40 -0.25 0.00 0.00 175.52 175.32 1njf h ILE 166 N 0.01 1.20 -0.99 6.82 2.04 -1.53 -3.32 117.51 121.74 1njf h ILE 166 Ca -0.00 -2.25 0.19 0.00 1.00 0.00 0.00 64.86 63.79 1njf h ILE 166 Cb 0.96 2.63 -0.11 0.00 -0.74 0.00 0.00 36.82 39.56 1njf h ILE 166 CO 0.07 0.44 0.59 0.25 0.00 0.00 0.00 178.15 179.50 1njf h LEU 167 N -0.94 0.76 -2.44 1.44 6.46 -1.46 0.23 115.31 119.36 1njf h LEU 167 Ca -0.24 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1njf h LEU 167 Cb 1.24 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1njf h LEU 167 CO -0.12 0.27 -0.00 -1.28 -0.62 0.00 0.00 178.44 176.69 1njf h SER 168 N 0.75 0.00 -0.36 1.25 0.87 -1.51 -2.37 113.55 112.18 1njf h SER 168 Ca 0.57 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1njf h SER 168 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1njf h SER 168 CO -0.38 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.46 1njf n ARG 169 N -3.09 2.20 -4.26 2.24 3.00 0.79 -4.95 116.66 112.59 1njf n ARG 169 Ca -0.02 -1.82 -0.24 0.00 -0.01 0.00 0.00 57.85 55.77 1njf n ARG 169 Cb 0.16 -1.45 -0.08 0.00 0.00 0.00 0.00 32.46 31.09 1njf n ARG 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1njf s LEU 171 N -3.74 4.49 -0.12 0.00 2.96 -0.60 -4.89 118.68 116.78 1njf s LEU 171 Ca 0.35 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 1njf s LEU 171 Cb -0.02 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 1njf s LEU 171 CO 0.20 -0.41 0.37 -1.10 -1.32 0.00 0.00 176.35 174.09 1njf s GLN 172 N 2.12 4.22 -0.10 1.98 -0.21 -1.26 -0.04 119.66 126.37 1njf s GLN 172 Ca 0.13 0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.79 1njf s GLN 172 Cb -0.16 -3.40 0.01 0.00 1.00 0.00 0.00 33.01 30.47 1njf s GLN 172 CO 0.12 0.29 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.37 1njf s PHE 173 N 0.28 1.91 -0.41 0.91 0.08 0.85 -4.96 117.98 116.65 1njf s PHE 173 Ca 0.21 -0.89 -0.15 0.00 0.12 0.00 0.00 56.93 56.22 1njf s PHE 173 Cb -0.14 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1njf s PHE 173 CO 0.07 -0.46 0.30 -1.01 -0.10 0.00 0.00 175.22 174.02 1njf s HIS 174 N 0.98 3.24 0.26 0.36 3.76 -1.26 -1.14 115.29 121.49 1njf s HIS 174 Ca -0.07 -0.58 -0.22 0.00 -0.15 0.00 0.00 55.06 54.04 1njf s HIS 174 Cb -0.15 -2.59 -0.09 0.00 1.11 0.00 0.00 32.58 30.86 1njf s HIS 174 CO -0.01 -0.59 0.80 -0.51 -0.85 0.00 0.00 174.74 173.57 1njf s LEU 175 N 1.69 4.33 0.12 0.89 1.02 0.82 -4.95 118.68 122.58 1njf s LEU 175 Ca 0.05 1.55 0.02 0.00 0.02 0.00 0.00 54.13 55.77 1njf s LEU 175 Cb -0.19 -3.74 -0.04 0.00 0.02 0.00 0.00 46.19 42.24 1njf s LEU 175 CO 0.10 -0.01 0.21 -0.54 0.02 0.00 0.00 176.35 176.13 1njf s LYS 176 N -2.04 3.29 0.49 1.70 1.02 -1.26 -4.43 119.74 118.50 1njf s LYS 176 Ca 0.46 -0.60 -0.23 0.00 0.02 0.00 0.00 55.97 55.62 1njf s LYS 176 Cb -0.17 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.16 1njf s LYS 176 CO 0.22 0.55 1.26 0.00 -0.92 0.00 0.00 175.35 176.46 1njf s ALA 177 N -1.63 2.96 0.32 5.17 0.00 -1.26 -4.88 121.76 122.43 1njf s ALA 177 Ca 0.33 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 53.21 1njf s ALA 177 Cb -0.12 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 1njf s ALA 177 CO 0.27 -0.97 0.86 -0.51 0.00 0.00 0.00 175.76 175.41 1njf s LEU 178 N -3.13 4.23 0.85 0.00 1.43 -0.85 -5.01 118.68 116.20 1njf s LEU 178 Ca 0.66 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 55.29 1njf s LEU 178 Cb -0.35 -4.02 0.11 0.00 0.03 0.00 0.00 46.19 41.96 1njf s LEU 178 CO 0.42 -0.12 1.13 -1.81 0.23 0.00 0.00 176.35 176.20 1njf s ASP 179 N -1.82 3.57 0.17 2.29 -0.00 -1.26 -4.18 116.67 115.45 1njf s ASP 179 Ca 0.51 2.05 -0.12 0.00 -0.00 0.00 0.00 52.55 54.99 1njf s ASP 179 Cb -0.15 -2.55 0.07 0.00 -0.00 0.00 0.00 42.92 40.29 1njf s ASP 179 CO 0.20 -2.66 1.73 0.58 -0.00 0.00 0.00 175.17 175.01 1njf h VAL 180 N -1.54 1.23 -0.50 -1.27 2.07 -1.97 -0.85 116.25 113.42 1njf h VAL 180 Ca -0.43 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 1njf h VAL 180 Cb 1.25 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1njf h VAL 180 CO 0.46 0.28 -0.11 -0.08 0.02 0.00 0.00 177.57 178.13 1njf h GLU 181 N 0.82 0.93 -0.80 1.57 4.57 -1.95 0.26 114.58 119.99 1njf h GLU 181 Ca 0.20 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1njf h GLU 181 Cb 0.20 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1njf h GLU 181 CO -0.02 0.99 0.48 1.96 -1.18 0.00 0.00 179.01 181.24 1njf h GLN 182 N 0.84 1.09 -0.06 1.92 4.20 -1.82 -0.52 115.11 120.75 1njf h GLN 182 Ca 0.13 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1njf h GLN 182 Cb 0.64 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1njf h GLN 182 CO 0.04 0.77 -0.26 0.82 -0.67 0.00 0.00 178.83 179.53 1njf h ILE 183 N 1.10 1.44 -0.55 2.54 2.04 -0.95 -2.97 117.51 120.15 1njf h ILE 183 Ca 0.29 -1.68 0.08 0.00 1.00 0.00 0.00 64.86 64.55 1njf h ILE 183 Cb -0.03 2.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1njf h ILE 183 CO -0.05 0.48 0.19 -0.09 0.00 0.00 0.00 178.15 178.68 1njf h ARG 184 N -0.23 0.36 -0.61 2.37 2.43 -0.31 -0.85 114.38 117.54 1njf h ARG 184 Ca -0.02 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1njf h ARG 184 Cb 0.91 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1njf h ARG 184 CO 0.05 0.24 0.07 1.25 -1.51 0.00 0.00 179.97 180.08 1njf h HIS 185 N 0.37 1.06 -0.47 2.20 2.76 -1.17 -1.92 115.15 117.99 1njf h HIS 185 Ca 0.27 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.19 1njf h HIS 185 Cb 0.31 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1njf h HIS 185 CO -0.17 0.91 -0.10 0.37 -1.30 0.00 0.00 177.93 177.65 1njf h GLN 186 N 0.94 0.89 -0.39 5.26 5.75 -1.23 -0.68 115.11 125.64 1njf h GLN 186 Ca 0.18 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1njf h GLN 186 Cb 0.44 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1njf h GLN 186 CO 0.01 0.97 0.23 -0.07 -2.65 0.00 0.00 178.83 177.33 1njf h LEU 187 N 0.73 0.47 -0.33 -2.39 3.38 -1.00 0.23 115.31 116.40 1njf h LEU 187 Ca 0.12 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1njf h LEU 187 Cb 0.64 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1njf h LEU 187 CO 0.04 0.39 0.12 -0.08 0.09 0.00 0.00 178.44 179.01 1njf h GLU 188 N 0.51 0.26 -0.68 1.13 4.81 -1.20 0.53 114.58 119.94 1njf h GLU 188 Ca 0.14 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1njf h GLU 188 Cb 0.01 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1njf h GLU 188 CO -0.03 0.17 0.45 1.25 -0.73 0.00 0.00 179.01 180.12 1njf h HIS 189 N 0.27 0.84 -0.19 0.92 2.76 -0.62 -0.49 115.15 118.64 1njf h HIS 189 Ca 0.14 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 1njf h HIS 189 Cb 0.10 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1njf h HIS 189 CO -0.13 0.52 -0.05 0.82 -1.30 0.00 0.00 177.93 177.79 1njf h ILE 190 N 0.90 1.29 -0.38 6.26 2.04 -0.53 -2.33 117.51 124.77 1njf h ILE 190 Ca 0.25 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1njf h ILE 190 Cb -0.09 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1njf h ILE 190 CO -0.06 0.31 0.07 -0.07 0.00 0.00 0.00 178.15 178.41 1njf h LEU 191 N 0.08 0.52 -0.63 1.44 3.38 -0.73 -0.33 115.31 119.03 1njf h LEU 191 Ca 0.05 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1njf h LEU 191 Cb 0.51 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1njf h LEU 191 CO 0.02 0.53 0.05 0.78 0.09 0.00 0.00 178.44 179.92 1njf h ASN 192 N 0.55 1.05 0.27 -0.43 2.35 -1.00 -1.05 115.58 117.32 1njf h ASN 192 Ca 0.13 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.47 1njf h ASN 192 Cb 0.24 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1njf h ASN 192 CO -0.00 1.07 -0.50 -0.33 -1.65 0.00 0.00 177.43 176.02 1njf h GLU 193 N 0.99 0.27 0.00 0.81 4.39 -0.82 -2.79 114.58 117.43 1njf h GLU 193 Ca 0.19 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1njf h GLU 193 Cb 0.50 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1njf h GLU 193 CO 0.02 0.71 -0.01 0.39 -1.16 0.00 0.00 179.01 178.95 1njf n GLU 194 N -3.96 0.08 -3.31 2.33 -0.58 -0.19 -4.92 120.64 110.09 1njf n GLU 194 Ca -0.02 0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.61 1njf n GLU 194 Cb 0.54 -1.59 0.07 0.00 -0.57 0.00 0.00 31.44 29.90 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 -1.73 -2.12 -4.53 -0.32 8.25 -0.51 -5.01 115.22 109.25 1njf n HIS 195 Ca 0.07 0.83 -0.34 0.00 -0.26 0.00 0.00 57.72 58.02 1njf n HIS 195 Cb 0.37 -4.55 -0.12 0.00 1.12 0.00 0.00 29.99 26.80 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 -3.29 3.75 0.30 1.59 1.01 -0.53 -5.05 121.20 118.98 1njf s ILE 196 Ca 0.21 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1njf s ILE 196 Cb -0.09 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 1njf s ILE 196 CO 0.62 0.55 1.15 0.00 0.00 0.00 0.00 174.94 177.26 1njf s ALA 197 N -0.18 3.40 0.04 9.38 0.00 -1.26 -4.58 121.76 128.56 1njf s ALA 197 Ca 0.03 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1njf s ALA 197 Cb -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1njf s ALA 197 CO 0.03 -0.29 0.28 -3.38 0.00 0.00 0.00 175.76 172.39 1njf s HIS 198 N -1.19 -0.08 -0.01 0.00 -3.43 -1.26 -0.66 115.29 108.66 1njf s HIS 198 Ca 0.47 -0.06 0.06 0.00 -0.80 0.00 0.00 55.06 54.72 1njf s HIS 198 Cb -0.33 0.07 -0.03 0.00 -1.43 0.00 0.00 32.58 30.86 1njf s HIS 198 CO 0.43 -0.48 -0.18 -1.21 -2.00 0.00 0.00 174.74 171.30 1njf s GLU 199 N -2.48 2.27 0.20 -0.38 2.02 -0.65 -4.99 118.70 114.70 1njf s GLU 199 Ca -0.06 -0.84 -0.21 0.00 0.02 0.00 0.00 54.97 53.88 1njf s GLU 199 Cb -0.01 -2.24 0.15 0.00 0.10 0.00 0.00 34.13 32.13 1njf s GLU 199 CO -0.03 0.58 1.56 -1.35 0.02 0.00 0.00 175.26 176.04 1njf h PRO 200 N 5.12 -0.08 -0.47 0.39 0.11 -2.01 -1.63 132.00 133.43 1njf h PRO 200 Ca -0.46 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1njf h PRO 200 Cb 1.15 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1njf h PRO 200 CO 0.49 -0.05 0.25 -0.09 -0.21 0.00 0.00 178.00 178.39 1njf h ARG 201 N -0.08 0.49 -0.50 1.05 1.12 -1.98 -2.22 114.38 112.26 1njf h ARG 201 Ca 0.27 -0.03 0.10 0.00 -1.11 0.00 0.00 59.98 59.21 1njf h ARG 201 Cb 0.56 -0.11 -0.08 0.00 -0.01 0.00 0.00 29.97 30.33 1njf h ARG 201 CO -0.86 0.32 -0.00 0.00 -3.11 0.00 0.00 179.97 176.32 1njf h ALA 202 N 1.24 0.48 -0.62 2.80 0.00 -1.60 -1.03 119.26 120.52 1njf h ALA 202 Ca 0.20 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1njf h ALA 202 Cb 0.08 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1njf h ALA 202 CO -0.12 -0.39 0.23 -0.07 0.00 0.00 0.00 179.25 178.90 1njf h LEU 203 N 0.12 0.85 -0.59 0.00 3.38 -1.12 -1.92 115.31 116.02 1njf h LEU 203 Ca 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1njf h LEU 203 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1njf h LEU 203 CO -0.42 0.77 0.29 1.56 0.09 0.00 0.00 178.44 180.73 1njf h GLN 204 N 0.90 0.85 -0.64 1.13 4.20 -0.73 -0.76 115.11 120.06 1njf h GLN 204 Ca 0.21 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1njf h GLN 204 Cb 0.21 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1njf h GLN 204 CO -0.01 0.68 0.14 -0.07 -0.67 0.00 0.00 178.83 178.90 1njf h LEU 205 N 0.81 0.96 -0.26 1.46 3.38 -0.76 -1.73 115.31 119.16 1njf h LEU 205 Ca 0.20 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1njf h LEU 205 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1njf h LEU 205 CO -0.03 0.94 -0.42 -0.07 0.09 0.00 0.00 178.44 178.95 1njf h LEU 206 N 0.97 0.83 -0.77 1.67 3.38 -1.14 -1.39 115.31 118.86 1njf h LEU 206 Ca 0.20 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1njf h LEU 206 Cb 0.36 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1njf h LEU 206 CO 0.00 1.19 0.42 0.00 0.09 0.00 0.00 178.44 180.15 1njf h ALA 207 N 0.66 0.98 -0.30 1.53 0.00 -1.02 -1.07 119.26 120.04 1njf h ALA 207 Ca 0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1njf h ALA 207 Cb 1.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1njf h ALA 207 CO 0.10 0.49 -0.07 -0.09 0.00 0.00 0.00 179.25 179.67 1njf h ARG 208 N 1.06 0.57 0.00 0.00 2.43 -1.28 -2.94 114.38 114.22 1njf h ARG 208 Ca 0.27 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1njf h ARG 208 Cb 0.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1njf h ARG 208 CO -0.04 0.76 -0.08 0.00 -1.51 0.00 0.00 179.97 179.10 1njf h ALA 209 N 0.79 1.21 0.00 2.80 0.00 -0.97 -2.29 119.26 120.79 1njf h ALA 209 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1njf h ALA 209 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1njf h ALA 209 CO 0.03 0.10 -0.11 0.00 0.00 0.00 0.00 179.25 179.27 1njf h ALA 210 N 1.92 1.21 -6.43 0.00 0.00 -1.01 -3.47 119.26 111.48 1njf h ALA 210 Ca -0.00 -0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.33 1njf h ALA 210 Cb 0.30 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.13 1njf h ALA 210 CO 0.01 0.14 -0.95 0.39 0.00 0.00 0.00 179.25 178.84 1njf n GLU 211 N -3.53 -0.95 0.00 0.00 1.02 -0.86 -2.42 120.64 113.90 1njf n GLU 211 Ca -0.01 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1njf n GLU 211 Cb 0.25 -3.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.06 1njf n GLU 211 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1njf n GLY 212 N -1.80 2.85 3.59 0.62 0.00 -1.26 -5.00 105.19 104.20 1njf n GLY 212 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.82 5.92 0.28 1.61 0.15 -1.02 -2.00 113.70 116.83 1njf s SER 213 Ca 0.00 0.00 0.07 0.00 0.70 0.00 0.00 55.95 56.72 1njf s SER 213 Cb 0.00 -2.08 0.41 0.00 -1.71 0.00 0.00 66.02 62.63 1njf s SER 213 CO 0.00 -0.01 1.66 0.25 1.20 0.00 0.00 173.24 176.35 1njf h LEU 214 N 8.03 0.20 -0.29 3.45 5.85 -1.40 -1.50 115.31 129.66 1njf h LEU 214 Ca -0.36 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1njf h LEU 214 Cb 1.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1njf h LEU 214 CO 0.59 0.66 0.02 -0.09 -0.34 0.00 0.00 178.44 179.28 1njf h ARG 215 N 0.15 0.49 -0.24 1.25 2.43 -1.88 -0.68 114.38 115.90 1njf h ARG 215 Ca 0.01 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1njf h ARG 215 Cb 0.92 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1njf h ARG 215 CO 0.07 0.62 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.62 1njf h ASP 216 N 0.30 0.37 -0.48 -3.80 3.32 -1.85 -0.70 116.42 113.59 1njf h ASP 216 Ca 0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1njf h ASP 216 Cb 0.38 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1njf h ASP 216 CO 0.01 0.50 0.18 0.00 -1.72 0.00 0.00 179.24 178.21 1njf h ALA 217 N 1.54 0.62 -0.12 3.45 0.00 -0.87 0.90 119.26 124.77 1njf h ALA 217 Ca 0.07 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1njf h ALA 217 Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1njf h ALA 217 CO 0.02 0.24 -0.68 -0.07 0.00 0.00 0.00 179.25 178.76 1njf h LEU 218 N 0.63 0.61 -0.74 0.00 3.38 -0.84 -1.51 115.31 116.83 1njf h LEU 218 Ca 0.16 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1njf h LEU 218 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1njf h LEU 218 CO -0.01 1.12 -0.03 -1.28 0.09 0.00 0.00 178.44 178.32 1njf h SER 219 N 0.37 0.91 0.31 -0.43 0.87 -0.93 0.00 113.55 114.65 1njf h SER 219 Ca -0.02 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 1njf h SER 219 Cb 1.26 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1njf h SER 219 CO 0.13 0.98 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.83 1njf h LEU 220 N 0.85 0.26 -0.39 2.23 3.38 -0.73 -2.17 115.31 118.74 1njf h LEU 220 Ca 0.15 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1njf h LEU 220 Cb 0.55 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1njf h LEU 220 CO 0.03 0.73 -0.48 0.74 0.09 0.00 0.00 178.44 179.55 1njf h THR 221 N 0.19 1.28 -0.33 0.22 2.02 -0.86 -1.11 112.91 114.31 1njf h THR 221 Ca 0.01 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 65.44 1njf h THR 221 Cb 0.97 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1njf h THR 221 CO 0.08 0.54 -0.13 0.44 0.37 0.00 0.00 175.52 176.82 1njf h ASP 222 N 0.66 0.57 -0.10 4.18 3.32 -0.87 -0.46 116.42 123.72 1njf h ASP 222 Ca 0.03 -0.16 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 1njf h ASP 222 Cb 1.07 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1njf h ASP 222 CO 0.11 0.73 -0.59 -0.61 -1.72 0.00 0.00 179.24 177.16 1njf h GLN 223 N 0.53 0.70 -0.17 3.56 4.15 -1.25 -2.24 115.11 120.39 1njf h GLN 223 Ca 0.09 -0.47 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 1njf h GLN 223 Cb 0.54 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1njf h GLN 223 CO 0.03 1.09 0.08 0.00 -1.93 0.00 0.00 178.83 178.10 1njf h ALA 224 N 0.81 0.22 -0.42 3.38 0.00 -0.76 -1.20 119.26 121.30 1njf h ALA 224 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1njf h ALA 224 Cb 1.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1njf h ALA 224 CO 0.12 -0.21 0.27 0.82 0.00 0.00 0.00 179.25 180.25 1njf h ILE 225 N 0.15 1.09 -0.45 0.00 2.04 -1.09 0.30 117.51 119.54 1njf h ILE 225 Ca 0.06 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1njf h ILE 225 Cb 0.13 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1njf h ILE 225 CO -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 178.20 1njf h ALA 226 N 1.16 1.08 -0.01 1.87 0.00 -1.26 -0.97 119.26 121.14 1njf h ALA 226 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1njf h ALA 226 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1njf h ALA 226 CO -0.05 0.57 -0.53 -1.13 0.00 0.00 0.00 179.25 178.11 1njf n SER 227 N -4.20 1.18 -2.43 0.00 3.41 -0.47 -4.47 113.62 106.65 1njf n SER 227 Ca 0.02 -0.95 -0.29 0.00 -0.26 0.00 0.00 58.87 57.39 1njf n SER 227 Cb 0.32 0.44 0.02 0.00 -0.26 0.00 0.00 64.21 64.73 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 1.43 6.02 3.03 5.00 0.00 0.10 -4.95 105.19 115.82 1njf n GLY 228 Ca 0.08 -2.66 -0.22 0.00 0.00 0.00 0.00 46.02 43.22 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 -0.58 -5.89 -0.91 1.61 8.00 -1.25 -2.67 116.55 114.86 1njf n ASP 229 Ca 0.45 -0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 1njf n ASP 229 Cb 0.66 -4.77 -0.02 0.00 -0.02 0.00 0.00 41.12 36.97 1njf n ASP 229 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1njf n GLY 230 N -1.47 0.52 3.55 0.44 0.00 -0.38 -5.00 105.19 102.84 1njf n GLY 230 Ca -0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.67 1.62 -0.41 1.61 -2.07 -1.09 -4.58 119.66 111.07 1njf s GLN 231 Ca 0.00 -1.39 0.03 0.00 -1.82 0.00 0.00 55.36 52.18 1njf s GLN 231 Cb 0.00 0.45 0.11 0.00 -1.09 0.00 0.00 33.01 32.49 1njf s GLN 231 CO 0.00 -0.67 0.14 0.08 -1.32 0.00 0.00 175.29 173.53 1njf s VAL 232 N -3.77 2.57 0.17 3.63 1.01 0.16 -4.01 120.40 120.16 1njf s VAL 232 Ca 0.25 -2.58 0.07 0.00 0.00 0.00 0.00 61.98 59.73 1njf s VAL 232 Cb -0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1njf s VAL 232 CO 0.12 -0.68 0.02 -0.94 0.00 0.00 0.00 175.10 173.62 1njf s SER 233 N 0.73 4.86 0.24 3.32 1.04 -1.26 -1.63 113.70 121.00 1njf s SER 233 Ca 0.12 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 1njf s SER 233 Cb -0.21 -1.06 0.24 0.00 0.10 0.00 0.00 66.02 65.09 1njf s SER 233 CO -0.05 0.08 1.91 0.74 0.98 0.00 0.00 173.24 176.90 1njf h THR 234 N 2.40 1.23 0.02 2.02 2.02 -1.93 -1.75 112.91 116.92 1njf h THR 234 Ca -0.47 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1njf h THR 234 Cb 1.20 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1njf h THR 234 CO 0.59 0.23 -0.01 -0.61 0.37 0.00 0.00 175.52 176.09 1njf h GLN 235 N 1.26 -0.03 -0.29 6.66 4.15 -1.99 -1.69 115.11 123.17 1njf h GLN 235 Ca 0.35 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.67 1njf h GLN 235 Cb -0.12 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1njf h GLN 235 CO -0.08 0.17 -0.24 0.00 -1.93 0.00 0.00 178.83 176.75 1njf h ALA 236 N 0.75 1.05 -0.24 3.38 0.00 -1.95 -2.47 119.26 119.78 1njf h ALA 236 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1njf h ALA 236 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1njf h ALA 236 CO 0.00 0.58 -0.20 0.28 0.00 0.00 0.00 179.25 179.91 1njf h VAL 237 N 0.50 1.31 -0.46 0.00 2.07 -1.30 -1.75 116.25 116.62 1njf h VAL 237 Ca 0.07 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1njf h VAL 237 Cb 0.68 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1njf h VAL 237 CO 0.05 0.42 0.22 0.28 0.02 0.00 0.00 177.57 178.56 1njf h SER 238 N 0.27 0.31 -0.33 0.57 0.02 -1.22 0.17 113.55 113.35 1njf h SER 238 Ca 0.04 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1njf h SER 238 Cb 0.74 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1njf h SER 238 CO 0.05 0.22 0.21 0.00 -1.14 0.00 0.00 176.83 176.18 1njf h ALA 239 N 1.25 0.42 -0.76 3.77 0.00 -1.41 0.22 119.26 122.75 1njf h ALA 239 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1njf h ALA 239 Cb 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1njf h ALA 239 CO -0.15 -0.10 0.37 1.98 0.00 0.00 0.00 179.25 181.35 1njf h MET 240 N 0.44 1.10 0.00 0.00 -1.53 -0.58 -2.94 114.93 111.42 1njf h MET 240 Ca 0.12 -0.16 0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1njf h MET 240 Cb -0.03 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 30.82 1njf h MET 240 CO -0.02 0.86 -0.38 -0.07 0.14 0.00 0.00 176.91 177.43 1njf h LEU 241 N 1.08 0.00 -0.77 3.39 3.38 -0.51 -3.48 115.31 118.40 1njf h LEU 241 Ca 0.26 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1njf h LEU 241 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1njf h LEU 241 CO -0.03 0.04 -0.08 0.61 0.09 0.00 0.00 178.44 179.06 1njf n GLY 242 N 1.26 0.69 0.00 0.83 0.00 0.59 -5.07 105.19 103.50 1njf n GLY 242 Ca 0.04 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.55 1njf n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73