#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 -0.79 -1.11 1.34 3.38 -1.98 0.12 115.31 116.27 1njf h LEU 6 Ca 0.00 0.24 0.21 0.00 0.09 0.00 0.00 57.88 58.43 1njf h LEU 6 Cb 0.00 0.51 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1njf h LEU 6 CO 0.00 -0.27 0.62 0.00 0.09 0.00 0.00 178.44 178.88 1njf h ALA 7 N 1.75 1.83 0.15 1.53 0.00 -1.92 0.12 119.26 122.72 1njf h ALA 7 Ca 0.38 0.08 -0.29 0.00 0.00 0.00 0.00 54.91 55.08 1njf h ALA 7 Cb 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1njf h ALA 7 CO -0.83 -0.22 -1.45 -0.09 0.00 0.00 0.00 179.25 176.66 1njf h ARG 8 N 0.64 0.31 0.00 0.00 1.12 -1.28 -3.23 114.38 111.94 1njf h ARG 8 Ca 0.59 -0.53 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1njf h ARG 8 Cb 1.08 0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1njf h ARG 8 CO -0.37 1.25 -0.12 -0.22 -3.11 0.00 0.00 179.97 177.41 1njf h LYS 9 N -0.17 0.00 -0.45 0.20 3.64 -0.68 -2.86 116.57 116.25 1njf h LYS 9 Ca -0.30 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.98 1njf h LYS 9 Cb 1.87 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.62 1njf h LYS 9 CO 0.11 0.12 0.07 0.91 -2.27 0.00 0.00 179.45 178.39 1njf n TRP 10 N -3.95 1.53 -2.26 1.91 7.02 0.38 -4.98 117.44 117.09 1njf n TRP 10 Ca -0.02 -1.11 -0.42 0.00 -1.02 0.00 0.00 57.50 54.93 1njf n TRP 10 Cb 0.21 -0.48 -0.03 0.00 -2.42 0.00 0.00 31.31 28.58 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 -2.96 4.38 0.10 -0.99 3.52 -1.08 -4.91 118.95 117.01 1njf s ARG 11 Ca 0.48 1.98 -0.36 0.00 -0.13 0.00 0.00 55.73 57.70 1njf s ARG 11 Cb 0.39 -3.25 -0.16 0.00 -1.56 0.00 0.00 34.95 30.37 1njf s ARG 11 CO 0.09 -0.30 1.39 -2.30 -0.81 0.00 0.00 175.30 173.37 1njf n PRO 12 N 3.37 1.36 -0.00 5.12 -0.02 -1.26 -4.87 135.00 138.69 1njf n PRO 12 Ca 0.08 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 1njf n PRO 12 Cb 0.44 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.71 0.58 -4.16 -0.52 1.13 -1.26 -4.92 117.38 110.93 1njf n GLN 13 Ca 0.18 -0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 1njf n GLN 13 Cb 0.21 -1.53 -0.10 0.00 0.11 0.00 0.00 30.24 28.93 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 -3.45 0.09 0.27 5.09 -4.23 -1.26 -4.92 115.64 107.23 1njf s THR 14 Ca -0.06 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1njf s THR 14 Cb 0.14 -2.15 0.10 0.00 1.34 0.00 0.00 72.50 71.93 1njf s THR 14 CO 0.90 -0.36 1.76 -0.26 -0.54 0.00 0.00 174.62 176.12 1njf h PHE 15 N 2.80 0.75 0.00 3.99 0.04 -1.93 -2.15 116.94 120.44 1njf h PHE 15 Ca -0.35 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.29 1njf h PHE 15 Cb 1.21 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 1njf h PHE 15 CO 0.42 0.74 -0.04 0.00 -0.60 0.00 0.00 178.31 178.83 1njf h ALA 16 N 1.28 1.32 -0.00 2.45 0.00 -1.96 -1.23 119.26 121.11 1njf h ALA 16 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1njf h ALA 16 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1njf h ALA 16 CO 0.03 0.06 -0.14 -0.25 0.00 0.00 0.00 179.25 178.94 1njf n ASP 17 N -3.60 0.19 -4.74 0.00 8.00 -0.81 -4.85 116.55 110.73 1njf n ASP 17 Ca -0.02 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 1njf n ASP 17 Cb 0.15 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.90 3.74 -0.09 2.53 1.01 -0.47 -4.76 120.40 119.47 1njf s VAL 18 Ca 0.16 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 1njf s VAL 18 Cb 0.19 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1njf s VAL 18 CO 0.56 0.31 0.41 -0.69 0.00 0.00 0.00 175.10 175.69 1njf s VAL 19 N -0.55 5.17 0.00 2.92 1.01 -1.26 -4.95 120.40 122.73 1njf s VAL 19 Ca 0.48 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1njf s VAL 19 Cb -0.30 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1njf s VAL 19 CO 0.37 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.50 1njf n GLY 20 N 2.85 0.40 4.07 4.51 0.00 -1.26 -4.91 105.19 110.85 1njf n GLY 20 Ca -0.10 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 -4.36 -0.17 1.61 1.13 -1.26 -4.88 117.38 109.45 1njf n GLN 21 Ca 0.00 0.48 -0.02 0.00 -1.94 0.00 0.00 57.00 55.52 1njf n GLN 21 Cb 0.00 -5.30 0.07 0.00 0.11 0.00 0.00 30.24 25.12 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 -1.80 0.38 0.00 -1.09 5.08 -1.96 -2.01 114.58 113.17 1njf h GLU 22 Ca -0.59 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1njf h GLU 22 Cb 1.38 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1njf h GLU 22 CO 0.73 0.25 -0.06 1.12 -1.00 0.00 0.00 179.01 180.05 1njf h HIS 23 N 0.39 0.00 0.09 4.33 2.07 -1.98 -2.01 115.15 118.03 1njf h HIS 23 Ca 0.26 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.65 1njf h HIS 23 Cb 0.27 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.27 1njf h HIS 23 CO -0.16 0.06 -0.55 0.28 -3.07 0.00 0.00 177.93 174.49 1njf h VAL 24 N 0.00 1.59 -0.55 6.12 2.07 -1.75 -3.12 116.25 120.60 1njf h VAL 24 Ca -0.00 -2.46 -0.06 0.00 0.82 0.00 0.00 66.70 64.99 1njf h VAL 24 Cb 0.18 3.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1njf h VAL 24 CO 0.01 0.67 0.09 -0.07 0.02 0.00 0.00 177.57 178.29 1njf h LEU 25 N -0.60 0.84 0.06 2.57 3.38 -1.21 -0.95 115.31 119.40 1njf h LEU 25 Ca -0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1njf h LEU 25 Cb 1.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1njf h LEU 25 CO 0.09 0.85 -0.03 0.74 0.09 0.00 0.00 178.44 180.18 1njf h THR 26 N 0.84 1.12 0.19 0.22 2.02 -1.51 0.52 112.91 116.30 1njf h THR 26 Ca 0.17 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1njf h THR 26 Cb 0.38 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1njf h THR 26 CO 0.01 0.16 -0.23 0.00 0.37 0.00 0.00 175.52 175.82 1njf h ALA 27 N 0.55 -0.45 -0.46 6.16 0.00 -1.47 0.24 119.26 123.83 1njf h ALA 27 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1njf h ALA 27 Cb 0.32 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1njf h ALA 27 CO 0.01 -0.79 0.11 -0.07 0.00 0.00 0.00 179.25 178.52 1njf h LEU 28 N -0.47 0.05 -0.30 0.00 3.38 -1.14 0.19 115.31 117.02 1njf h LEU 28 Ca 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1njf h LEU 28 Cb 0.46 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1njf h LEU 28 CO -0.09 0.06 0.16 0.00 0.09 0.00 0.00 178.44 178.66 1njf h ALA 29 N 1.34 0.39 -0.42 1.53 0.00 -0.52 -0.04 119.26 121.54 1njf h ALA 29 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1njf h ALA 29 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1njf h ALA 29 CO -0.28 -0.08 0.24 -0.91 0.00 0.00 0.00 179.25 178.23 1njf h ASN 30 N 0.36 0.39 -0.47 0.00 -0.26 -0.57 0.75 115.58 115.78 1njf h ASN 30 Ca 0.10 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.91 1njf h ASN 30 Cb 0.08 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1njf h ASN 30 CO -0.02 0.28 0.16 1.23 -1.06 0.00 0.00 177.43 178.03 1njf h GLY 31 N 0.49 0.62 0.57 2.83 0.00 -0.58 0.72 103.07 107.73 1njf h GLY 31 Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1njf h GLY 31 CO -0.08 0.01 -0.00 1.41 0.00 0.00 0.00 176.54 177.88 1njf h LEU 32 N 0.34 -0.00 -0.58 3.11 3.38 -0.50 -0.31 115.31 120.75 1njf h LEU 32 Ca 0.23 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1njf h LEU 32 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1njf h LEU 32 CO -0.23 0.42 0.32 0.28 0.09 0.00 0.00 178.44 179.32 1njf h SER 33 N -0.43 0.48 0.00 -0.43 0.02 0.89 -3.32 113.55 110.77 1njf h SER 33 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1njf h SER 33 Cb 0.43 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1njf h SER 33 CO 0.00 0.33 0.00 0.18 -1.14 0.00 0.00 176.83 176.20 1njf n LEU 34 N -4.82 1.01 0.00 5.07 4.77 0.25 -5.01 117.00 118.27 1njf n LEU 34 Ca 0.06 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1njf n LEU 34 Cb 0.14 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1njf n LEU 34 CO 0.30 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1njf n GLY 35 N 1.33 -0.18 3.68 -0.72 0.00 -0.20 -5.07 105.19 104.03 1njf n GLY 35 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1njf n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1njf n ARG 36 N 0.00 2.01 -3.23 1.61 1.74 -0.75 -4.88 116.66 113.16 1njf n ARG 36 Ca 0.00 0.73 -0.44 0.00 -0.77 0.00 0.00 57.85 57.37 1njf n ARG 36 Cb 0.00 -2.54 -0.07 0.00 -1.02 0.00 0.00 32.46 28.83 1njf n ARG 36 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1njf s ILE 37 N 3.38 4.99 -0.14 0.55 2.07 -1.26 -4.77 121.20 126.01 1njf s ILE 37 Ca 0.91 -0.65 -0.02 0.00 -1.41 0.00 0.00 60.65 59.48 1njf s ILE 37 Cb -0.75 -4.24 -0.02 0.00 0.13 0.00 0.00 42.46 37.58 1njf s ILE 37 CO 0.51 -0.73 -0.08 -1.00 -1.91 0.00 0.00 174.94 171.73 1njf s HIS 38 N 2.33 2.92 -0.10 3.50 3.76 -1.26 -5.00 115.29 121.44 1njf s HIS 38 Ca 0.12 -0.44 0.15 0.00 -0.15 0.00 0.00 55.06 54.74 1njf s HIS 38 Cb -0.21 -1.89 -0.06 0.00 1.11 0.00 0.00 32.58 31.53 1njf s HIS 38 CO 0.10 -0.10 1.14 0.45 -0.85 0.00 0.00 174.74 175.49 1njf h HIS 39 N 6.63 0.00 -3.69 1.40 3.86 -1.89 -3.47 115.15 117.99 1njf h HIS 39 Ca -0.29 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.72 1njf h HIS 39 Cb 1.20 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.42 1njf h HIS 39 CO 0.52 0.61 -0.65 0.00 0.86 0.00 0.00 177.93 179.28 1njf s ALA 40 N -2.90 -0.09 -0.03 2.45 0.00 -1.26 -0.65 121.76 119.27 1njf s ALA 40 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1njf s ALA 40 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1njf s ALA 40 CO 0.78 -0.08 -0.14 0.71 0.00 0.00 0.00 175.76 177.04 1njf s TYR 41 N -0.53 1.33 -0.17 0.00 1.51 0.11 -1.26 117.35 118.33 1njf s TYR 41 Ca -0.06 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1njf s TYR 41 Cb -0.04 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1njf s TYR 41 CO -0.00 -0.11 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.02 1njf s LEU 42 N 0.01 2.04 -0.26 -1.29 2.96 0.40 0.18 118.68 122.71 1njf s LEU 42 Ca -0.01 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.15 1njf s LEU 42 Cb -0.09 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1njf s LEU 42 CO 0.01 -0.07 0.07 -0.36 -1.32 0.00 0.00 176.35 174.67 1njf s PHE 43 N 1.40 3.09 0.21 5.38 0.08 0.14 -0.51 117.98 127.76 1njf s PHE 43 Ca 0.03 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.62 1njf s PHE 43 Cb -0.14 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.03 1njf s PHE 43 CO -0.10 -0.41 -0.16 -1.54 -0.10 0.00 0.00 175.22 172.91 1njf s SER 44 N 1.59 2.76 0.00 1.36 1.04 -0.50 -0.98 113.70 118.97 1njf s SER 44 Ca 0.06 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1njf s SER 44 Cb -0.15 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1njf s SER 44 CO 0.03 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1njf n GLY 45 N -0.36 2.02 3.72 7.32 0.00 -0.94 -0.76 105.19 116.18 1njf n GLY 45 Ca -0.08 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1njf n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1njf s THR 46 N -1.85 2.78 0.53 2.61 -1.32 -1.26 -3.89 115.64 113.24 1njf s THR 46 Ca 0.00 0.25 -0.22 0.00 -1.21 0.00 0.00 61.69 60.52 1njf s THR 46 Cb 0.00 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.33 1njf s THR 46 CO 0.00 -0.33 1.32 -0.13 -2.21 0.00 0.00 174.62 173.26 1njf s ARG 47 N -4.83 3.25 -0.93 7.08 1.81 -1.26 -3.69 118.95 120.38 1njf s ARG 47 Ca 0.63 2.13 0.00 0.00 -1.72 0.00 0.00 55.73 56.78 1njf s ARG 47 Cb -0.19 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 1njf s ARG 47 CO 0.57 -1.07 0.00 0.41 -0.68 0.00 0.00 175.30 174.53 1njf n GLY 48 N 0.67 0.12 0.00 -3.53 0.00 -1.26 -4.58 105.19 96.61 1njf n GLY 48 Ca 0.10 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1njf n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1njf n VAL 49 N -3.82 0.00 0.00 1.61 0.31 -1.24 -0.25 118.33 114.94 1njf n VAL 49 Ca -0.12 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1njf n VAL 49 Cb 0.56 0.75 0.00 0.00 -0.91 0.00 0.00 33.84 34.24 1njf n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1njf n GLY 50 N 1.45 1.48 0.43 2.92 0.00 -1.26 -4.95 105.19 105.26 1njf n GLY 50 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.44 -0.87 -0.09 1.61 1.57 -1.94 -1.14 116.57 116.15 1njf h LYS 51 Ca 0.00 0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 1njf h LYS 51 Cb 0.00 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1njf h LYS 51 CO 0.00 -0.58 -0.52 1.79 -0.57 0.00 0.00 179.45 179.57 1njf h THR 52 N -0.91 1.35 -0.03 -0.16 1.35 -1.97 -1.56 112.91 110.99 1njf h THR 52 Ca -0.06 -1.78 0.02 0.00 -0.55 0.00 0.00 66.41 64.05 1njf h THR 52 Cb 0.77 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 1njf h THR 52 CO 0.00 0.53 -0.11 0.28 -0.25 0.00 0.00 175.52 175.97 1njf h SER 53 N 0.18 -0.33 -0.51 5.36 0.02 -1.95 0.32 113.55 116.65 1njf h SER 53 Ca 0.01 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1njf h SER 53 Cb 0.98 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1njf h SER 53 CO 0.08 -0.16 0.15 0.40 -1.14 0.00 0.00 176.83 176.17 1njf h ILE 54 N -0.17 1.23 -0.93 3.27 2.04 -1.11 -1.74 117.51 120.10 1njf h ILE 54 Ca 0.05 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1njf h ILE 54 Cb 0.24 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1njf h ILE 54 CO -0.14 0.29 0.59 0.00 0.00 0.00 0.00 178.15 178.89 1njf h ALA 55 N 1.02 1.28 -0.52 1.87 0.00 -0.93 0.90 119.26 122.88 1njf h ALA 55 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1njf h ALA 55 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1njf h ALA 55 CO -0.00 0.37 -0.10 -0.09 0.00 0.00 0.00 179.25 179.42 1njf h ARG 56 N 1.08 0.98 -0.35 0.00 2.43 -0.67 -0.43 114.38 117.42 1njf h ARG 56 Ca 0.40 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1njf h ARG 56 Cb 0.15 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1njf h ARG 56 CO -0.17 1.04 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.21 1njf h LEU 57 N 0.85 0.55 -0.79 3.80 3.38 -0.40 -1.27 115.31 121.43 1njf h LEU 57 Ca 0.13 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1njf h LEU 57 Cb 0.67 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1njf h LEU 57 CO 0.05 0.66 0.12 0.25 0.09 0.00 0.00 178.44 179.61 1njf h LEU 58 N 0.54 0.98 -0.95 1.67 5.85 -0.29 -0.83 115.31 122.28 1njf h LEU 58 Ca 0.11 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1njf h LEU 58 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1njf h LEU 58 CO 0.02 0.97 0.02 0.00 -0.34 0.00 0.00 178.44 179.11 1njf h ALA 59 N 1.15 1.13 0.05 1.25 0.00 -0.29 -1.31 119.26 121.23 1njf h ALA 59 Ca 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1njf h ALA 59 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1njf h ALA 59 CO 0.01 0.56 -0.02 0.87 0.00 0.00 0.00 179.25 180.67 1njf h LYS 60 N 0.74 -0.06 -0.90 0.00 1.57 -0.70 -1.83 116.57 115.38 1njf h LYS 60 Ca 0.15 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1njf h LYS 60 Cb 0.42 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 1njf h LYS 60 CO 0.02 0.18 0.58 0.78 -0.57 0.00 0.00 179.45 180.44 1njf h GLY 61 N -0.31 1.31 1.69 3.86 0.00 -0.92 0.89 103.07 109.60 1njf h GLY 61 Ca -0.01 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1njf h GLY 61 CO 0.01 0.26 -0.66 1.41 0.00 0.00 0.00 176.54 177.55 1njf h LEU 62 N 0.97 0.36 -2.94 3.11 3.38 -1.13 -0.89 115.31 118.17 1njf h LEU 62 Ca 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1njf h LEU 62 Cb 0.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1njf h LEU 62 CO -0.16 0.92 0.00 0.59 0.09 0.00 0.00 178.44 179.88 1njf n ASN 63 N -3.85 3.24 -4.72 -0.43 5.03 -0.70 -4.61 115.26 109.23 1njf n ASN 63 Ca -0.03 -2.17 -0.42 0.00 0.87 0.00 0.00 54.58 52.83 1njf n ASN 63 Cb 0.66 -0.31 -0.03 0.00 -1.02 0.00 0.00 39.78 39.08 1njf n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1njf h GLU 65 N 7.03 0.00 0.00 0.00 5.08 -1.95 0.94 114.58 125.69 1njf h GLU 65 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1njf h GLU 65 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1njf h GLU 65 CO 0.95 0.00 -0.38 0.25 -1.00 0.00 0.00 179.01 178.82 1njf n THR 66 N -2.30 0.18 0.00 1.13 -2.24 -1.26 -5.03 114.28 104.76 1njf n THR 66 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1njf n THR 66 Cb 0.11 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1njf n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njf n GLY 67 N 1.43 3.25 3.68 3.38 0.00 0.33 -5.02 105.19 112.24 1njf n GLY 67 Ca 0.05 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.26 2.70 0.07 -0.61 1.01 -1.26 -4.36 121.20 116.49 1njf s ILE 68 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 1njf s ILE 68 Cb 0.00 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.44 1njf s ILE 68 CO 0.00 -0.00 0.28 0.28 0.00 0.00 0.00 174.94 175.50 1njf s THR 69 N 3.19 0.10 -1.34 2.92 -1.32 -0.34 -4.91 115.64 113.94 1njf s THR 69 Ca 0.82 -0.82 0.28 0.00 -1.21 0.00 0.00 61.69 60.76 1njf s THR 69 Cb -0.45 -1.08 0.27 0.00 -1.51 0.00 0.00 72.50 69.73 1njf s THR 69 CO 0.37 -0.45 1.73 0.00 -2.21 0.00 0.00 174.62 174.06 1njf n ALA 70 N 0.28 2.91 -3.32 11.08 0.00 -1.26 -4.25 120.51 125.95 1njf n ALA 70 Ca -0.17 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 1njf n ALA 70 Cb 0.61 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.19 0.56 -1.50 0.00 -2.24 -1.26 -4.80 114.28 103.85 1njf n THR 71 Ca 0.10 -4.49 -0.44 0.00 -2.27 0.00 0.00 64.05 56.95 1njf n THR 71 Cb 0.31 -2.01 -0.01 0.00 -2.10 0.00 0.00 70.33 66.53 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 1.30 0.76 0.15 -0.78 -0.02 -1.26 -4.88 135.00 130.27 1njf n PRO 72 Ca 0.25 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 62.01 1njf n PRO 72 Cb 0.47 -1.53 0.19 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.36 1.27 0.00 0.00 0.00 -1.26 -4.78 105.19 100.78 1njf n GLY 74 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1njf n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1njf n VAL 75 N -2.49 0.00 -1.75 1.61 0.31 -1.26 -4.62 118.33 110.13 1njf n VAL 75 Ca -0.12 -0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 1njf n VAL 75 Cb 0.48 0.32 0.06 0.00 -0.91 0.00 0.00 33.84 33.79 1njf n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1njf h ASP 77 N -0.77 0.00 -0.05 0.00 3.32 -1.97 -0.34 116.42 116.61 1njf h ASP 77 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1njf h ASP 77 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1njf h ASP 77 CO 0.62 0.06 -0.00 0.78 -1.72 0.00 0.00 179.24 178.97 1njf h ASN 78 N 0.00 0.09 -0.24 6.45 4.21 -1.92 0.10 115.58 124.27 1njf h ASN 78 Ca -0.00 -0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.16 1njf h ASN 78 Cb 0.58 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 1njf h ASN 78 CO 0.01 0.39 0.06 0.00 -1.29 0.00 0.00 177.43 176.59 1njf h ARG 80 N 0.21 0.05 -0.13 0.00 2.43 -1.03 -0.57 114.38 115.34 1njf h ARG 80 Ca 0.07 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1njf h ARG 80 Cb 0.29 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1njf h ARG 80 CO 0.00 0.03 -0.36 0.93 -1.51 0.00 0.00 179.97 179.06 1njf h GLU 81 N 0.05 0.27 -0.38 0.20 5.08 -0.96 -1.82 114.58 117.02 1njf h GLU 81 Ca 0.12 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1njf h GLU 81 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1njf h GLU 81 CO -0.23 0.60 -0.14 0.82 -1.00 0.00 0.00 179.01 179.07 1njf h ILE 82 N 0.23 1.28 -0.68 3.13 2.04 -0.96 0.41 117.51 122.96 1njf h ILE 82 Ca 0.03 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1njf h ILE 82 Cb 0.75 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1njf h ILE 82 CO 0.06 0.41 0.38 -0.08 0.00 0.00 0.00 178.15 178.93 1njf h GLU 83 N 0.57 0.93 -0.00 2.37 4.57 -0.91 0.60 114.58 122.72 1njf h GLU 83 Ca 0.09 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1njf h GLU 83 Cb 0.67 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1njf h GLU 83 CO 0.05 0.67 -0.06 1.04 -1.18 0.00 0.00 179.01 179.53 1njf n GLN 84 N -4.38 0.65 -3.31 1.92 6.02 -0.70 -4.92 117.38 112.65 1njf n GLN 84 Ca 0.07 -0.14 -0.19 0.00 -0.01 0.00 0.00 57.00 56.73 1njf n GLN 84 Cb 0.09 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.91 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 1.25 -0.24 2.82 1.08 0.00 0.20 -4.93 105.19 105.36 1njf n GLY 85 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1njf n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1njf n ARG 86 N -4.00 1.66 -3.45 1.61 1.85 0.12 -5.01 116.66 109.45 1njf n ARG 86 Ca -0.00 -3.42 -0.38 0.00 -1.00 0.00 0.00 57.85 53.04 1njf n ARG 86 Cb 0.55 -1.52 -0.09 0.00 -1.05 0.00 0.00 32.46 30.36 1njf n ARG 86 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1njf s PHE 87 N -3.63 3.30 0.30 2.89 5.36 -1.21 -4.85 117.98 120.15 1njf s PHE 87 Ca 0.27 0.43 0.05 0.00 -0.96 0.00 0.00 56.93 56.72 1njf s PHE 87 Cb 0.34 -2.49 0.79 0.00 -0.34 0.00 0.00 43.02 41.31 1njf s PHE 87 CO -0.03 -0.10 1.68 0.28 -1.46 0.00 0.00 175.22 175.58 1njf h VAL 88 N 5.20 0.40 -0.66 3.12 2.07 -1.98 -1.11 116.25 123.28 1njf h VAL 88 Ca -0.34 -0.11 -0.36 0.00 0.82 0.00 0.00 66.70 66.70 1njf h VAL 88 Cb 1.16 0.03 -0.20 0.00 -1.52 0.00 0.00 31.29 30.77 1njf h VAL 88 CO 0.66 0.06 0.46 0.47 0.02 0.00 0.00 177.57 179.25 1njf n ASP 89 N -5.10 4.08 -3.46 0.57 8.00 -1.26 -4.59 116.55 114.79 1njf n ASP 89 Ca 0.24 -3.11 -0.26 0.00 0.71 0.00 0.00 54.79 52.37 1njf n ASP 89 Cb 0.72 -0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.25 0.54 -0.30 0.64 2.96 -0.42 -1.45 118.68 118.40 1njf s LEU 90 Ca 0.39 -1.68 -0.20 0.00 -0.22 0.00 0.00 54.13 52.42 1njf s LEU 90 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.89 1njf s LEU 90 CO 0.06 -0.34 0.60 -0.63 -1.32 0.00 0.00 176.35 174.71 1njf s ILE 91 N 1.55 4.98 -0.54 6.68 1.01 -0.03 -4.65 121.20 130.20 1njf s ILE 91 Ca 0.14 0.84 -0.17 0.00 0.00 0.00 0.00 60.65 61.47 1njf s ILE 91 Cb -0.19 -3.95 0.11 0.00 0.01 0.00 0.00 42.46 38.44 1njf s ILE 91 CO -0.14 -0.08 0.54 -1.61 0.00 0.00 0.00 174.94 173.65 1njf s GLU 92 N 2.52 3.01 -0.31 2.79 2.02 -1.26 -0.88 118.70 126.58 1njf s GLU 92 Ca 0.24 -1.50 -0.13 0.00 0.02 0.00 0.00 54.97 53.59 1njf s GLU 92 Cb -0.15 -4.25 -0.03 0.00 0.10 0.00 0.00 34.13 29.80 1njf s GLU 92 CO 0.11 -1.33 0.27 0.42 0.02 0.00 0.00 175.26 174.75 1njf s ILE 93 N 1.94 5.26 -0.55 -1.63 1.01 -0.34 -4.98 121.20 121.90 1njf s ILE 93 Ca 0.06 0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 1njf s ILE 93 Cb -0.27 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.64 1njf s ILE 93 CO 0.05 0.07 0.54 -0.62 0.00 0.00 0.00 174.94 174.98 1njf s ASP 94 N 1.73 6.19 0.41 3.58 2.15 -1.26 -1.94 116.67 127.52 1njf s ASP 94 Ca 0.09 -1.71 0.29 0.00 0.43 0.00 0.00 52.55 51.64 1njf s ASP 94 Cb -0.17 -2.23 1.38 0.00 -0.30 0.00 0.00 42.92 41.60 1njf s ASP 94 CO 0.11 -0.90 1.88 0.00 -0.17 0.00 0.00 175.17 176.08 1njf h ALA 95 N 8.94 1.00 -0.00 3.66 0.00 -1.73 -2.35 119.26 128.78 1njf h ALA 95 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1njf h ALA 95 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1njf h ALA 95 CO 1.05 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 180.13 1njf n ALA 96 N -1.90 2.82 -1.98 0.00 0.00 -1.26 -4.71 120.51 113.47 1njf n ALA 96 Ca -0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1njf n ALA 96 Cb 0.17 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.72 6.65 -0.01 0.00 0.15 -0.89 -4.93 113.70 111.95 1njf s SER 97 Ca 0.21 2.45 -0.25 0.00 0.70 0.00 0.00 55.95 59.07 1njf s SER 97 Cb 0.19 -2.57 -0.18 0.00 -1.71 0.00 0.00 66.02 61.75 1njf s SER 97 CO 0.54 -0.84 1.22 0.03 1.20 0.00 0.00 173.24 175.39 1njf h ARG 98 N 7.85 -0.16 -1.94 5.44 3.08 -1.90 -3.28 114.38 123.46 1njf h ARG 98 Ca -0.42 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.47 1njf h ARG 98 Cb 1.20 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.22 1njf h ARG 98 CO 0.92 0.24 -0.07 0.25 -1.07 0.00 0.00 179.97 180.24 1njf n THR 99 N -4.97 2.65 -3.44 2.04 -2.24 -1.26 -4.74 114.28 102.32 1njf n THR 99 Ca -0.09 -1.33 -0.12 0.00 -2.27 0.00 0.00 64.05 60.25 1njf n THR 99 Cb 0.24 -1.70 -0.10 0.00 -2.10 0.00 0.00 70.33 66.68 1njf n THR 99 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1njf s LYS 100 N -0.00 0.29 0.00 -0.78 -0.14 -1.24 -5.04 119.74 112.82 1njf s LYS 100 Ca 0.38 0.52 0.00 0.00 -1.36 0.00 0.00 55.97 55.51 1njf s LYS 100 Cb 0.20 -0.54 0.00 0.00 -1.68 0.00 0.00 37.83 35.81 1njf s LYS 100 CO -0.03 -0.57 0.00 0.28 -0.76 0.00 0.00 175.35 174.27 1njf n VAL 101 N 5.35 0.00 0.09 3.17 0.31 -1.26 -4.68 118.33 121.31 1njf n VAL 101 Ca -0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1njf n VAL 101 Cb 0.50 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 1njf n VAL 101 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1njf h GLU 102 N 0.00 -0.46 -0.97 5.55 5.08 -1.96 0.49 114.58 122.31 1njf h GLU 102 Ca 0.00 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1njf h GLU 102 Cb 0.00 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.19 1njf h GLU 102 CO 0.00 -0.30 -0.35 -0.25 -1.00 0.00 0.00 179.01 177.11 1njf n ASP 103 N -5.40 -0.56 -0.04 1.42 8.00 -1.26 0.14 116.55 118.85 1njf n ASP 103 Ca -0.06 1.68 -0.15 0.00 0.71 0.00 0.00 54.79 56.98 1njf n ASP 103 Cb 0.31 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 40.88 1njf n ASP 103 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1njf h THR 104 N 0.00 1.62 0.08 -3.53 2.02 -1.63 -2.68 112.91 108.79 1njf h THR 104 Ca 0.37 -2.00 -0.00 0.00 0.77 0.00 0.00 66.41 65.55 1njf h THR 104 Cb 0.61 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1njf h THR 104 CO -0.97 0.53 -0.04 -0.09 0.37 0.00 0.00 175.52 175.32 1njf h ARG 105 N -0.70 -0.10 -0.04 6.66 2.43 0.65 -2.64 114.38 120.64 1njf h ARG 105 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1njf h ARG 105 Cb 0.94 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1njf h ARG 105 CO 0.02 0.30 0.03 0.22 -1.51 0.00 0.00 179.97 179.03 1njf h ASP 106 N -0.53 0.05 -0.90 -3.80 3.58 0.10 0.31 116.42 115.23 1njf h ASP 106 Ca -0.01 -0.01 0.18 0.00 0.42 0.00 0.00 57.03 57.61 1njf h ASP 106 Cb 0.45 -0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.38 1njf h ASP 106 CO 0.02 0.04 0.47 -0.07 -2.88 0.00 0.00 179.24 176.82 1njf h LEU 107 N 0.05 0.54 -0.00 2.28 3.38 -1.44 0.12 115.31 120.23 1njf h LEU 107 Ca 0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1njf h LEU 107 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1njf h LEU 107 CO -0.00 0.17 -0.04 0.18 0.09 0.00 0.00 178.44 178.84 1njf n LEU 108 N -4.89 0.04 -0.04 1.67 7.99 -0.87 -3.14 117.00 117.76 1njf n LEU 108 Ca 0.20 0.45 -0.03 0.00 -0.01 0.00 0.00 56.01 56.62 1njf n LEU 108 Cb 0.53 -0.47 -0.14 0.00 -0.11 0.00 0.00 43.42 43.23 1njf n LEU 108 CO 0.19 0.01 -0.78 0.47 -1.51 0.00 0.00 177.39 175.76 1njf n ASP 109 N -1.49 0.31 -3.00 -1.43 10.43 0.04 -4.60 116.55 116.81 1njf n ASP 109 Ca 0.07 0.14 -0.28 0.00 2.57 0.00 0.00 54.79 57.29 1njf n ASP 109 Cb 0.33 0.90 -0.04 0.00 1.84 0.00 0.00 41.12 44.16 1njf n ASP 109 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1njf n ASN 110 N -2.71 4.68 -4.65 -2.24 3.02 0.22 -5.08 115.26 108.50 1njf n ASN 110 Ca -0.19 -3.68 -0.42 0.00 -0.03 0.00 0.00 54.58 50.25 1njf n ASN 110 Cb 0.94 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 -4.42 3.24 -0.74 2.41 1.01 -1.19 -4.80 120.40 115.91 1njf s VAL 111 Ca 0.48 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1njf s VAL 111 Cb 0.27 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1njf s VAL 111 CO -0.14 -0.04 1.19 -1.10 0.00 0.00 0.00 175.10 175.01 1njf s GLN 112 N 4.56 3.21 0.49 2.72 -0.21 -1.26 -4.87 119.66 124.31 1njf s GLN 112 Ca 0.84 -0.55 0.28 0.00 0.02 0.00 0.00 55.36 55.96 1njf s GLN 112 Cb -0.37 -4.31 1.11 0.00 1.00 0.00 0.00 33.01 30.43 1njf s GLN 112 CO 0.36 -2.04 1.89 1.88 -2.12 0.00 0.00 175.29 175.27 1njf h TYR 113 N 9.83 0.00 -3.39 0.91 0.05 -1.95 -3.40 116.97 119.01 1njf h TYR 113 Ca -0.23 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 57.79 1njf h TYR 113 Cb 1.05 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.53 1njf h TYR 113 CO 1.09 0.11 -0.17 0.00 -1.05 0.00 0.00 178.16 178.14 1njf s ALA 114 N -3.65 3.73 0.25 3.88 0.00 -1.26 -4.68 121.76 120.03 1njf s ALA 114 Ca 0.01 -2.83 -0.31 0.00 0.00 0.00 0.00 51.96 48.83 1njf s ALA 114 Cb 0.09 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 1njf s ALA 114 CO 0.59 -2.08 1.59 -2.30 0.00 0.00 0.00 175.76 173.56 1njf n PRO 115 N 4.66 2.55 0.00 0.00 -0.02 -1.26 -4.97 135.00 135.95 1njf n PRO 115 Ca -0.03 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1njf n PRO 115 Cb 0.42 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 2.68 -0.01 -0.00 3.55 0.00 -1.26 -4.71 120.51 120.75 1njf n ALA 116 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 1njf n ALA 116 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 1njf n ALA 116 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1njf h ARG 117 N 0.00 0.24 -7.46 0.00 9.65 -1.95 -3.48 114.38 111.38 1njf h ARG 117 Ca 0.00 -0.41 -0.46 0.00 -1.10 0.00 0.00 59.98 58.02 1njf h ARG 117 Cb 0.00 0.15 0.10 0.00 -1.39 0.00 0.00 29.97 28.83 1njf h ARG 117 CO 0.00 1.19 0.29 0.20 2.80 0.00 0.00 179.97 184.46 1njf s GLY 118 N -5.20 1.70 0.31 2.80 0.00 -1.26 -4.98 107.32 100.70 1njf s GLY 118 Ca -0.22 -1.05 0.25 0.00 0.00 0.00 0.00 44.72 43.70 1njf s GLY 118 CO 0.75 -0.52 1.69 0.07 0.00 0.00 0.00 173.10 175.09 1njf h ARG 119 N -0.92 0.00 -5.03 2.90 0.11 -1.86 -3.44 114.38 106.15 1njf h ARG 119 Ca -0.44 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.26 1njf h ARG 119 Cb 1.29 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 32.13 1njf h ARG 119 CO 0.53 0.00 -0.77 -0.06 0.10 0.00 0.00 179.97 179.77 1njf s PHE 120 N -3.15 1.00 -0.45 4.08 0.08 -1.26 -4.87 117.98 113.41 1njf s PHE 120 Ca 0.09 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 1njf s PHE 120 Cb 0.09 -0.59 0.07 0.00 -0.57 0.00 0.00 43.02 42.01 1njf s PHE 120 CO 0.63 0.01 0.34 0.21 -0.10 0.00 0.00 175.22 176.31 1njf s LYS 121 N -1.22 2.87 -0.19 0.44 2.47 0.01 -4.85 119.74 119.27 1njf s LYS 121 Ca -0.02 -1.33 -0.09 0.00 -1.56 0.00 0.00 55.97 52.98 1njf s LYS 121 Cb -0.08 -4.00 -0.05 0.00 -1.46 0.00 0.00 37.83 32.24 1njf s LYS 121 CO 0.01 -0.96 0.10 0.08 0.16 0.00 0.00 175.35 174.74 1njf s VAL 122 N 1.58 5.14 -0.21 4.02 1.01 -0.53 -2.07 120.40 129.34 1njf s VAL 122 Ca 0.04 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1njf s VAL 122 Cb -0.23 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1njf s VAL 122 CO 0.06 0.46 0.05 -0.31 0.00 0.00 0.00 175.10 175.36 1njf s TYR 123 N 0.30 3.13 -0.38 5.22 1.51 -0.47 -0.85 117.35 125.80 1njf s TYR 123 Ca 0.06 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 1njf s TYR 123 Cb -0.12 -2.15 0.09 0.00 -0.11 0.00 0.00 41.96 39.68 1njf s TYR 123 CO -0.01 -0.14 0.15 -1.17 -1.11 0.00 0.00 175.55 173.28 1njf s LEU 124 N 1.02 4.88 -0.42 -1.29 2.96 -0.06 -0.37 118.68 125.39 1njf s LEU 124 Ca 0.04 -1.78 -0.09 0.00 -0.22 0.00 0.00 54.13 52.07 1njf s LEU 124 Cb -0.14 -1.81 0.08 0.00 0.50 0.00 0.00 46.19 44.82 1njf s LEU 124 CO 0.03 -0.46 0.26 -0.63 -1.32 0.00 0.00 176.35 174.23 1njf s ILE 125 N 1.19 4.25 0.26 6.68 1.01 -0.56 -1.20 121.20 132.84 1njf s ILE 125 Ca 0.04 -1.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.02 1njf s ILE 125 Cb -0.22 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 1njf s ILE 125 CO -0.03 -0.51 0.93 -0.62 0.00 0.00 0.00 174.94 174.71 1njf s ASP 126 N 2.13 7.53 -1.37 3.58 2.15 -0.82 -1.67 116.67 128.19 1njf s ASP 126 Ca 0.03 1.89 -0.04 0.00 0.43 0.00 0.00 52.55 54.86 1njf s ASP 126 Cb -0.23 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.82 1njf s ASP 126 CO 0.02 0.09 0.80 -0.62 -0.17 0.00 0.00 175.17 175.29 1njf n GLU 127 N 1.17 -5.24 0.28 4.34 -0.58 0.24 -2.56 120.64 118.29 1njf n GLU 127 Ca -0.01 0.63 0.14 0.00 -0.42 0.00 0.00 57.16 57.50 1njf n GLU 127 Cb 0.48 -5.31 0.73 0.00 -0.57 0.00 0.00 31.44 26.77 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 -1.96 0.00 0.00 2.62 3.04 -1.48 -1.51 116.25 116.96 1njf h VAL 128 Ca -0.60 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1njf h VAL 128 Cb 1.36 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1njf h VAL 128 CO 0.59 0.00 0.00 1.12 -1.01 0.00 0.00 177.57 178.27 1njf h HIS 129 N 0.00 0.00 -0.50 3.17 2.07 -1.87 -3.20 115.15 114.82 1njf h HIS 129 Ca 0.00 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.24 1njf h HIS 129 Cb 0.52 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 30.34 1njf h HIS 129 CO 0.00 0.00 0.36 -1.33 -3.07 0.00 0.00 177.93 173.89 1njf n MET 130 N -2.97 1.69 -3.71 5.12 2.81 -0.57 -4.91 117.12 114.58 1njf n MET 130 Ca 0.02 -1.55 -0.22 0.00 -1.81 0.00 0.00 57.70 54.14 1njf n MET 130 Cb 0.37 -1.61 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.73 4.18 0.79 4.03 1.43 -1.21 -4.76 118.68 121.41 1njf s LEU 131 Ca 0.30 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1njf s LEU 131 Cb 0.25 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 43.48 1njf s LEU 131 CO 0.04 -0.18 1.11 -0.94 0.23 0.00 0.00 176.35 176.61 1njf s SER 132 N -4.01 4.58 0.44 2.29 1.04 -1.26 -4.87 113.70 111.91 1njf s SER 132 Ca 0.37 1.20 0.21 0.00 0.48 0.00 0.00 55.95 58.22 1njf s SER 132 Cb -0.09 -1.92 1.01 0.00 0.10 0.00 0.00 66.02 65.12 1njf s SER 132 CO 0.32 -1.90 1.89 0.03 0.98 0.00 0.00 173.24 174.56 1njf h ARG 133 N -1.04 0.00 0.30 4.02 3.08 -1.99 -0.98 114.38 117.76 1njf h ARG 133 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1njf h ARG 133 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1njf h ARG 133 CO 0.61 0.25 -0.14 1.25 -1.07 0.00 0.00 179.97 180.87 1njf h HIS 134 N 0.00 -0.37 -0.53 3.04 2.76 -1.98 -1.70 115.15 116.37 1njf h HIS 134 Ca -0.00 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1njf h HIS 134 Cb 0.61 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.65 1njf h HIS 134 CO 0.00 -0.02 0.29 0.66 -1.30 0.00 0.00 177.93 177.56 1njf h SER 135 N -0.91 0.45 -0.19 3.26 4.64 -1.92 0.17 113.55 119.05 1njf h SER 135 Ca -0.04 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1njf h SER 135 Cb 0.51 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.46 1njf h SER 135 CO 0.07 0.31 -0.25 -0.26 -0.87 0.00 0.00 176.83 175.83 1njf h PHE 136 N 0.57 -0.67 0.00 4.77 0.05 -1.23 1.12 116.94 121.56 1njf h PHE 136 Ca 0.22 0.04 -0.04 0.00 3.82 0.00 0.00 57.97 62.01 1njf h PHE 136 Cb 0.09 0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.35 1njf h PHE 136 CO -0.08 -0.33 -0.18 -0.97 -0.18 0.00 0.00 178.31 176.57 1njf h ASN 137 N -0.28 0.00 -0.28 2.17 -0.00 -0.80 0.61 115.58 116.99 1njf h ASN 137 Ca 0.12 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.23 1njf h ASN 137 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1njf h ASN 137 CO -0.35 0.18 -0.56 0.00 -0.00 0.00 0.00 177.43 176.70 1njf h ALA 138 N 1.82 0.44 -0.60 1.57 0.00 0.18 0.15 119.26 122.83 1njf h ALA 138 Ca -0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1njf h ALA 138 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1njf h ALA 138 CO 0.02 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.23 1njf h LEU 139 N 0.65 1.00 -0.53 0.00 5.85 0.27 -2.56 115.31 119.98 1njf h LEU 139 Ca 0.01 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1njf h LEU 139 Cb 1.17 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1njf h LEU 139 CO 0.12 1.04 0.11 0.25 -0.34 0.00 0.00 178.44 179.63 1njf h LEU 140 N 0.93 0.82 -0.86 2.25 5.85 0.37 -1.39 115.31 123.28 1njf h LEU 140 Ca 0.17 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1njf h LEU 140 Cb 0.51 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1njf h LEU 140 CO 0.02 0.85 0.49 0.11 -0.34 0.00 0.00 178.44 179.57 1njf h LYS 141 N 0.75 1.18 -0.23 1.25 1.57 -0.56 0.17 116.57 120.71 1njf h LYS 141 Ca 0.16 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 1njf h LYS 141 Cb 0.37 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1njf h LYS 141 CO 0.01 0.85 -0.55 1.15 -0.57 0.00 0.00 179.45 180.34 1njf h THR 142 N 1.19 1.29 0.00 -0.16 2.02 -1.36 -0.33 112.91 115.57 1njf h THR 142 Ca 0.30 -1.75 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1njf h THR 142 Cb 0.00 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1njf h THR 142 CO -0.05 0.56 -0.05 -0.07 0.37 0.00 0.00 175.52 176.28 1njf h LEU 143 N 0.51 0.00 0.20 2.58 3.38 -1.01 -0.78 115.31 120.19 1njf h LEU 143 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1njf h LEU 143 Cb 1.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.94 1njf h LEU 143 CO 0.12 0.05 -1.38 -0.33 0.09 0.00 0.00 178.44 176.99 1njf h GLU 144 N 0.00 0.47 -2.18 1.13 5.08 -0.28 -3.36 114.58 115.45 1njf h GLU 144 Ca -0.00 -0.78 -0.59 0.00 -1.00 0.00 0.00 59.36 56.99 1njf h GLU 144 Cb 0.51 0.29 -0.42 0.00 0.50 0.00 0.00 28.75 29.63 1njf h GLU 144 CO 0.01 1.37 -0.66 0.39 -1.00 0.00 0.00 179.01 179.12 1njf n GLU 145 N -3.67 2.39 -1.36 2.33 1.02 -0.17 -5.08 120.64 116.10 1njf n GLU 145 Ca -0.14 -4.52 -0.54 0.00 -0.02 0.00 0.00 57.16 51.93 1njf n GLU 145 Cb 1.07 -2.14 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.80 0.51 -1.84 3.49 -0.02 -0.33 -4.75 135.00 132.86 1njf n PRO 146 Ca 0.29 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1njf n PRO 146 Cb 0.42 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1njf n PRO 146 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1njf s PRO 147 N 6.30 3.97 0.12 0.52 0.02 -1.26 -4.82 135.00 139.84 1njf s PRO 147 Ca 1.16 2.24 0.08 0.00 0.02 0.00 0.00 61.00 64.50 1njf s PRO 147 Cb -1.17 -4.11 0.41 0.00 0.02 0.00 0.00 34.50 29.65 1njf s PRO 147 CO 0.57 -1.13 1.22 -0.85 -0.33 0.00 0.00 177.00 176.48 1njf n GLU 148 N 7.59 0.05 -0.09 5.54 0.28 -1.26 -1.36 120.64 131.38 1njf n GLU 148 Ca 0.20 0.54 0.04 0.00 -0.16 0.00 0.00 57.16 57.78 1njf n GLU 148 Cb 0.43 -1.67 0.08 0.00 1.43 0.00 0.00 31.44 31.71 1njf n GLU 148 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1njf n HIS 149 N -1.76 0.19 -4.89 -1.84 8.25 -1.26 -5.01 115.22 108.89 1njf n HIS 149 Ca -0.01 -0.62 -0.28 0.00 -0.26 0.00 0.00 57.72 56.55 1njf n HIS 149 Cb 0.02 -0.09 -0.15 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.51 1.90 0.01 1.59 1.01 -0.46 -0.81 120.40 122.13 1njf s VAL 150 Ca 0.15 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1njf s VAL 150 Cb 0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1njf s VAL 150 CO 0.05 0.36 -0.05 -0.54 0.00 0.00 0.00 175.10 174.92 1njf s LYS 151 N -1.02 0.38 -0.18 2.72 1.02 -0.88 -4.71 119.74 117.07 1njf s LYS 151 Ca 0.10 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.78 1njf s LYS 151 Cb -0.09 -0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 1njf s LYS 151 CO 0.01 0.08 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.38 1njf s PHE 152 N -0.40 2.90 -0.32 3.18 0.08 0.17 -1.37 117.98 122.22 1njf s PHE 152 Ca -0.01 -0.81 0.02 0.00 0.12 0.00 0.00 56.93 56.24 1njf s PHE 152 Cb -0.04 -1.99 0.08 0.00 -0.57 0.00 0.00 43.02 40.51 1njf s PHE 152 CO -0.00 -0.39 0.02 -0.51 -0.10 0.00 0.00 175.22 174.24 1njf s LEU 153 N 0.96 4.34 0.06 -0.37 1.43 0.50 0.05 118.68 125.66 1njf s LEU 153 Ca -0.01 -1.79 0.01 0.00 -1.03 0.00 0.00 54.13 51.31 1njf s LEU 153 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1njf s LEU 153 CO -0.00 -0.33 0.17 -0.76 0.23 0.00 0.00 176.35 175.66 1njf s LEU 154 N 1.05 4.21 -0.01 1.79 1.43 0.13 -1.50 118.68 125.78 1njf s LEU 154 Ca 0.02 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1njf s LEU 154 Cb -0.20 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1njf s LEU 154 CO -0.06 0.18 -0.01 0.00 0.23 0.00 0.00 176.35 176.69 1njf s ALA 155 N -1.47 0.14 -0.10 4.21 0.00 -0.67 -0.69 121.76 123.19 1njf s ALA 155 Ca 0.33 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 1njf s ALA 155 Cb -0.13 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1njf s ALA 155 CO 0.26 0.01 0.65 -0.08 0.00 0.00 0.00 175.76 176.60 1njf s THR 156 N 0.18 0.00 -2.33 0.00 -1.32 -0.15 0.81 115.64 112.83 1njf s THR 156 Ca -0.01 -0.04 0.22 0.00 -1.21 0.00 0.00 61.69 60.64 1njf s THR 156 Cb -0.03 -0.95 0.45 0.00 -1.51 0.00 0.00 72.50 70.46 1njf s THR 156 CO -0.01 -0.02 1.44 0.35 -2.21 0.00 0.00 174.62 174.18 1njf n THR 157 N 1.43 0.48 -3.03 5.08 -2.24 -1.25 -2.21 114.28 112.55 1njf n THR 157 Ca -0.18 -0.65 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 1njf n THR 157 Cb 0.56 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.14 -1.70 -0.00 3.42 4.64 -1.26 -4.72 116.55 118.07 1njf n ASP 158 Ca 0.19 -2.79 -0.11 0.00 -1.38 0.00 0.00 54.79 50.69 1njf n ASP 158 Cb 0.51 0.59 -0.07 0.00 -1.04 0.00 0.00 41.12 41.11 1njf n ASP 158 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1njf h PRO 159 N 4.75 -0.42 -0.92 -0.67 0.11 -1.97 -3.08 132.00 129.79 1njf h PRO 159 Ca 0.08 0.03 0.27 0.00 0.11 0.00 0.00 66.00 66.48 1njf h PRO 159 Cb 0.99 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1njf h PRO 159 CO 0.28 -0.28 1.08 -0.56 -0.21 0.00 0.00 178.00 178.31 1njf h GLN 160 N -0.44 0.00 0.00 1.05 -0.00 -2.00 0.49 115.11 114.21 1njf h GLN 160 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1njf h GLN 160 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1njf h GLN 160 CO -0.32 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.14 1njf n LYS 161 N -3.32 0.97 -3.97 0.06 5.02 -1.17 -4.81 118.16 110.95 1njf n LYS 161 Ca 0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 1njf n LYS 161 Cb 1.36 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 35.29 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 -1.04 4.23 0.14 -0.35 1.43 0.16 -4.92 118.68 118.33 1njf s LEU 162 Ca 0.02 0.36 -0.35 0.00 -1.03 0.00 0.00 54.13 53.13 1njf s LEU 162 Cb 0.01 -2.20 -0.15 0.00 0.03 0.00 0.00 46.19 43.87 1njf s LEU 162 CO 0.01 0.35 1.42 -2.65 0.23 0.00 0.00 176.35 175.72 1njf n PRO 163 N 1.64 1.63 0.15 1.29 -0.02 -1.26 -4.76 135.00 133.66 1njf n PRO 163 Ca -0.17 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1njf n PRO 163 Cb 0.54 -2.26 0.78 0.00 -0.02 0.00 0.00 33.50 32.54 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 3.34 0.49 -0.05 -1.45 2.07 -1.96 0.73 116.25 119.43 1njf h VAL 164 Ca -0.46 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1njf h VAL 164 Cb 1.30 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1njf h VAL 164 CO 0.81 0.00 -0.30 0.71 0.02 0.00 0.00 177.57 178.81 1njf h THR 165 N 0.00 1.24 0.11 2.57 1.35 -2.00 -1.80 112.91 114.38 1njf h THR 165 Ca 0.14 -1.14 -0.21 0.00 -0.55 0.00 0.00 66.41 64.65 1njf h THR 165 Cb 0.71 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1njf h THR 165 CO -0.00 0.33 -1.02 0.16 -0.25 0.00 0.00 175.52 174.74 1njf h ILE 166 N 0.09 1.31 -0.52 6.82 3.07 -1.21 -3.34 117.51 123.73 1njf h ILE 166 Ca 0.01 -2.45 0.10 0.00 1.55 0.00 0.00 64.86 64.07 1njf h ILE 166 Cb 0.59 2.97 -0.11 0.00 -0.27 0.00 0.00 36.82 40.00 1njf h ILE 166 CO 0.04 0.68 -0.30 -0.07 -1.05 0.00 0.00 178.15 177.46 1njf h LEU 167 N -0.42 -1.02 -1.90 0.16 3.38 -1.31 0.11 115.31 114.32 1njf h LEU 167 Ca -0.21 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1njf h LEU 167 Cb 1.63 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.90 1njf h LEU 167 CO 0.09 -0.29 0.05 0.77 0.09 0.00 0.00 178.44 179.15 1njf h SER 168 N -0.17 0.00 -0.46 -0.43 4.64 -1.47 -0.58 113.55 115.08 1njf h SER 168 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1njf h SER 168 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1njf h SER 168 CO -0.62 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.88 1njf n ARG 169 N -2.53 2.97 -4.88 4.77 1.74 0.37 -4.96 116.66 114.15 1njf n ARG 169 Ca -0.02 -2.38 -0.31 0.00 -0.77 0.00 0.00 57.85 54.36 1njf n ARG 169 Cb 0.10 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.02 4.01 0.05 0.00 2.96 -0.39 -4.82 118.68 119.47 1njf s LEU 171 Ca 0.12 0.47 -0.19 0.00 -0.22 0.00 0.00 54.13 54.32 1njf s LEU 171 Cb -0.10 -3.23 -0.06 0.00 0.50 0.00 0.00 46.19 43.29 1njf s LEU 171 CO 0.02 -0.88 0.54 -1.10 -1.32 0.00 0.00 176.35 173.61 1njf s GLN 172 N 3.49 4.16 -0.06 1.98 -0.21 -1.26 -0.46 119.66 127.31 1njf s GLN 172 Ca 0.37 0.68 0.01 0.00 0.02 0.00 0.00 55.36 56.44 1njf s GLN 172 Cb -0.12 -3.25 0.02 0.00 1.00 0.00 0.00 33.01 30.66 1njf s GLN 172 CO 0.20 0.62 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.85 1njf s PHE 173 N -1.00 1.15 -0.39 0.91 0.08 0.33 -4.95 117.98 114.10 1njf s PHE 173 Ca 0.28 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1njf s PHE 173 Cb -0.19 -0.91 0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1njf s PHE 173 CO 0.18 -0.26 0.22 -1.01 -0.10 0.00 0.00 175.22 174.25 1njf s HIS 174 N 0.87 3.26 0.10 0.36 3.76 -1.26 -1.41 115.29 120.97 1njf s HIS 174 Ca -0.11 -1.11 -0.25 0.00 -0.15 0.00 0.00 55.06 53.44 1njf s HIS 174 Cb -0.15 -2.57 -0.07 0.00 1.11 0.00 0.00 32.58 30.91 1njf s HIS 174 CO 0.01 -0.70 0.77 -0.51 -0.85 0.00 0.00 174.74 173.46 1njf s LEU 175 N 1.52 4.51 0.39 0.89 1.02 0.06 -4.97 118.68 122.10 1njf s LEU 175 Ca 0.02 1.54 -0.03 0.00 0.02 0.00 0.00 54.13 55.68 1njf s LEU 175 Cb -0.20 -3.26 -0.04 0.00 0.02 0.00 0.00 46.19 42.71 1njf s LEU 175 CO 0.06 0.10 0.64 -0.54 0.02 0.00 0.00 176.35 176.62 1njf s LYS 176 N -0.52 3.53 0.48 1.70 -0.14 -1.26 -4.47 119.74 119.06 1njf s LYS 176 Ca 0.37 -0.08 -0.22 0.00 -1.36 0.00 0.00 55.97 54.69 1njf s LYS 176 Cb -0.22 -2.55 -0.07 0.00 -1.68 0.00 0.00 37.83 33.31 1njf s LYS 176 CO 0.24 0.03 1.13 0.00 -0.76 0.00 0.00 175.35 175.99 1njf s ALA 177 N -2.44 2.89 0.15 5.17 0.00 -1.26 -4.93 121.76 121.34 1njf s ALA 177 Ca 0.43 0.85 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 1njf s ALA 177 Cb -0.10 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1njf s ALA 177 CO 0.38 -0.62 0.67 -0.51 0.00 0.00 0.00 175.76 175.69 1njf s LEU 178 N -3.27 4.49 0.69 0.00 1.43 -0.97 -5.06 118.68 115.98 1njf s LEU 178 Ca 0.66 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 1njf s LEU 178 Cb -0.25 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1njf s LEU 178 CO 0.30 0.18 1.08 1.51 0.23 0.00 0.00 176.35 179.65 1njf s ASP 179 N -1.30 5.60 0.22 2.29 1.47 -1.26 -4.16 116.67 119.52 1njf s ASP 179 Ca 0.35 1.17 -0.15 0.00 1.18 0.00 0.00 52.55 55.10 1njf s ASP 179 Cb -0.20 -2.02 0.24 0.00 -0.34 0.00 0.00 42.92 40.60 1njf s ASP 179 CO 0.22 -1.24 1.60 0.58 0.68 0.00 0.00 175.17 177.00 1njf h VAL 180 N -0.57 0.22 -0.06 2.11 2.07 -1.97 -2.22 116.25 115.82 1njf h VAL 180 Ca -0.45 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1njf h VAL 180 Cb 1.24 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1njf h VAL 180 CO 0.63 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.85 1njf h GLU 181 N -0.06 -0.04 -0.95 1.57 4.39 -1.96 -0.46 114.58 117.07 1njf h GLU 181 Ca 0.31 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.14 1njf h GLU 181 Cb 0.55 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.13 1njf h GLU 181 CO -0.75 -0.03 0.61 1.96 -1.16 0.00 0.00 179.01 179.64 1njf h GLN 182 N -0.05 0.86 -0.25 2.33 4.20 -1.79 0.20 115.11 120.62 1njf h GLN 182 Ca 0.04 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1njf h GLN 182 Cb 0.10 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1njf h GLN 182 CO -0.09 0.57 -0.54 0.82 -0.67 0.00 0.00 178.83 178.91 1njf h ILE 183 N 0.88 1.29 -0.58 2.54 2.04 -1.07 -2.78 117.51 119.83 1njf h ILE 183 Ca 0.47 -1.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.49 1njf h ILE 183 Cb 0.55 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1njf h ILE 183 CO -0.23 0.56 -0.03 -0.09 0.00 0.00 0.00 178.15 178.36 1njf h ARG 184 N 0.56 1.04 -0.60 2.37 2.43 -0.02 -1.32 114.38 118.83 1njf h ARG 184 Ca 0.00 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 1njf h ARG 184 Cb 1.15 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1njf h ARG 184 CO 0.12 1.04 0.16 0.45 -1.51 0.00 0.00 179.97 180.22 1njf h HIS 185 N 0.93 0.95 -0.29 2.20 3.86 -1.05 0.10 115.15 121.85 1njf h HIS 185 Ca 0.16 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 1njf h HIS 185 Cb 0.58 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1njf h HIS 185 CO 0.04 0.78 -0.31 0.37 0.86 0.00 0.00 177.93 179.67 1njf h GLN 186 N 0.89 0.62 -0.41 2.45 5.75 -1.20 -0.39 115.11 122.81 1njf h GLN 186 Ca 0.19 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.33 1njf h GLN 186 Cb 0.30 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1njf h GLN 186 CO -0.00 0.85 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.85 1njf h LEU 187 N 0.53 0.81 0.21 -2.39 3.38 -0.56 -0.56 115.31 116.73 1njf h LEU 187 Ca 0.06 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1njf h LEU 187 Cb 0.79 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1njf h LEU 187 CO 0.07 0.99 -0.12 -0.33 0.09 0.00 0.00 178.44 179.13 1njf h GLU 188 N 0.62 -0.31 0.02 1.13 5.08 -0.64 -1.39 114.58 119.09 1njf h GLU 188 Ca 0.10 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1njf h GLU 188 Cb 0.64 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1njf h GLU 188 CO 0.04 -0.21 -0.53 1.25 -1.00 0.00 0.00 179.01 178.57 1njf h HIS 189 N -0.32 -1.53 -0.56 4.33 2.76 -0.93 -0.83 115.15 118.07 1njf h HIS 189 Ca -0.02 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1njf h HIS 189 Cb 0.27 0.67 -0.04 0.00 1.55 0.00 0.00 27.41 29.85 1njf h HIS 189 CO -0.08 -0.57 0.31 0.82 -1.30 0.00 0.00 177.93 177.11 1njf h ILE 190 N -0.68 1.01 -0.21 6.26 2.04 -1.06 -1.65 117.51 123.21 1njf h ILE 190 Ca 0.01 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1njf h ILE 190 Cb 0.73 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1njf h ILE 190 CO -0.34 0.11 -0.21 -0.07 0.00 0.00 0.00 178.15 177.64 1njf h LEU 191 N 0.61 0.37 -0.24 1.44 3.38 -1.01 0.38 115.31 120.24 1njf h LEU 191 Ca 0.24 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1njf h LEU 191 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1njf h LEU 191 CO -0.13 0.59 -0.15 0.78 0.09 0.00 0.00 178.44 179.61 1njf h ASN 192 N 0.34 0.55 -0.55 -0.43 2.35 -0.81 -0.38 115.58 116.65 1njf h ASN 192 Ca 0.06 -0.43 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1njf h ASN 192 Cb 0.56 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1njf h ASN 192 CO 0.04 0.87 0.26 -0.08 -1.65 0.00 0.00 177.43 176.86 1njf h GLU 193 N 0.24 0.83 0.00 0.81 4.57 -0.97 -1.83 114.58 118.23 1njf h GLU 193 Ca 0.05 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1njf h GLU 193 Cb 0.68 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1njf h GLU 193 CO 0.04 0.66 0.00 0.39 -1.18 0.00 0.00 179.01 178.92 1njf n GLU 194 N -4.34 0.24 -2.49 1.92 -0.58 0.09 -4.93 120.64 110.56 1njf n GLU 194 Ca 0.05 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1njf n GLU 194 Cb 0.15 -1.79 0.01 0.00 -0.57 0.00 0.00 31.44 29.24 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 -2.22 -0.93 -3.56 -0.32 8.25 -0.29 -5.00 115.22 111.16 1njf n HIS 195 Ca 0.06 0.17 -0.37 0.00 -0.26 0.00 0.00 57.72 57.31 1njf n HIS 195 Cb 0.42 -3.02 -0.08 0.00 1.12 0.00 0.00 29.99 28.42 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 -2.79 5.30 0.23 1.59 1.01 -0.41 -5.03 121.20 121.10 1njf s ILE 196 Ca 0.10 0.40 -0.31 0.00 0.00 0.00 0.00 60.65 60.84 1njf s ILE 196 Cb -0.04 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.73 1njf s ILE 196 CO 0.12 0.32 1.58 0.00 0.00 0.00 0.00 174.94 176.96 1njf s ALA 197 N 1.04 3.77 0.01 9.38 0.00 -1.26 -4.65 121.76 130.05 1njf s ALA 197 Ca 0.12 1.47 -0.10 0.00 0.00 0.00 0.00 51.96 53.46 1njf s ALA 197 Cb -0.14 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1njf s ALA 197 CO 0.05 -0.87 0.19 -3.38 0.00 0.00 0.00 175.76 171.76 1njf s HIS 198 N 0.51 -0.01 -0.03 0.00 -3.43 -1.26 -0.99 115.29 110.09 1njf s HIS 198 Ca 0.66 -0.07 0.01 0.00 -0.80 0.00 0.00 55.06 54.86 1njf s HIS 198 Cb -0.46 -0.01 -0.03 0.00 -1.43 0.00 0.00 32.58 30.65 1njf s HIS 198 CO 0.40 -0.34 -0.01 -1.21 -2.00 0.00 0.00 174.74 171.57 1njf s GLU 199 N -1.62 2.82 0.16 -0.38 2.02 -0.48 -4.99 118.70 116.24 1njf s GLU 199 Ca -0.13 -0.56 -0.20 0.00 0.02 0.00 0.00 54.97 54.11 1njf s GLU 199 Cb -0.06 -2.69 0.08 0.00 0.10 0.00 0.00 34.13 31.56 1njf s GLU 199 CO 0.01 0.65 1.63 -1.35 0.02 0.00 0.00 175.26 176.22 1njf h PRO 200 N 4.65 -0.17 -0.92 0.39 0.11 -2.01 -2.19 132.00 131.86 1njf h PRO 200 Ca -0.49 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1njf h PRO 200 Cb 1.18 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1njf h PRO 200 CO 0.56 -0.11 0.55 -0.09 -0.21 0.00 0.00 178.00 178.70 1njf h ARG 201 N -0.17 1.25 -0.79 1.05 1.12 -1.98 -2.29 114.38 112.56 1njf h ARG 201 Ca 0.18 -0.11 0.05 0.00 -1.11 0.00 0.00 59.98 58.99 1njf h ARG 201 Cb 0.45 -0.26 -0.06 0.00 -0.01 0.00 0.00 29.97 30.10 1njf h ARG 201 CO -0.47 0.87 0.48 0.00 -3.11 0.00 0.00 179.97 177.75 1njf h ALA 202 N 1.34 1.07 -0.46 2.80 0.00 -1.72 -1.85 119.26 120.44 1njf h ALA 202 Ca 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1njf h ALA 202 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1njf h ALA 202 CO -0.06 0.23 -0.03 -0.07 0.00 0.00 0.00 179.25 179.31 1njf h LEU 203 N 0.90 0.82 -1.38 0.00 3.38 -1.15 -1.03 115.31 116.85 1njf h LEU 203 Ca 0.34 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1njf h LEU 203 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1njf h LEU 203 CO -0.16 0.95 -0.25 0.06 0.09 0.00 0.00 178.44 179.13 1njf h GLN 204 N 0.68 0.00 -0.10 1.13 3.07 -1.21 0.32 115.11 119.00 1njf h GLN 204 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.81 1njf h GLN 204 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 1njf h GLN 204 CO 0.03 0.25 -0.17 -0.07 0.09 0.00 0.00 178.83 178.96 1njf h LEU 205 N 0.00 0.32 -0.69 0.06 3.38 -1.03 -0.71 115.31 116.64 1njf h LEU 205 Ca -0.00 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1njf h LEU 205 Cb 0.62 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1njf h LEU 205 CO 0.03 0.80 0.31 -0.07 0.09 0.00 0.00 178.44 179.61 1njf h LEU 206 N -0.15 0.92 -0.57 1.67 3.38 -0.81 -1.24 115.31 118.52 1njf h LEU 206 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1njf h LEU 206 Cb 0.74 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1njf h LEU 206 CO 0.04 0.81 0.33 0.00 0.09 0.00 0.00 178.44 179.71 1njf h ALA 207 N 1.15 0.73 -0.41 1.53 0.00 -0.28 -2.54 119.26 119.43 1njf h ALA 207 Ca 0.24 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1njf h ALA 207 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1njf h ALA 207 CO -0.03 0.22 -0.13 -0.09 0.00 0.00 0.00 179.25 179.23 1njf h ARG 208 N 0.77 0.81 0.00 0.00 2.43 -0.88 -2.98 114.38 114.52 1njf h ARG 208 Ca 0.20 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1njf h ARG 208 Cb 0.01 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1njf h ARG 208 CO -0.04 0.95 -0.07 0.00 -1.51 0.00 0.00 179.97 179.30 1njf h ALA 209 N 0.84 1.34 0.00 2.80 0.00 -1.06 -2.39 119.26 120.79 1njf h ALA 209 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1njf h ALA 209 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1njf h ALA 209 CO 0.05 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1njf h ALA 210 N 1.93 1.00 -6.34 0.00 0.00 -1.29 -3.47 119.26 111.08 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 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1njf h ALA 210 CO 0.01 0.00 -0.82 0.39 0.00 0.00 0.00 179.25 178.83 1njf n GLU 211 N -2.31 -4.46 0.00 0.00 4.71 -0.90 -1.78 120.64 115.90 1njf n GLU 211 Ca 0.02 0.53 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 1njf n GLU 211 Cb 0.22 -5.09 0.00 0.00 -1.01 0.00 0.00 31.44 25.56 1njf n GLU 211 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1njf n GLY 212 N -1.70 2.78 3.64 0.62 0.00 -1.26 -4.97 105.19 104.30 1njf n GLY 212 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.70 6.61 0.30 1.61 0.15 -0.73 -2.30 113.70 117.65 1njf s SER 213 Ca 0.00 0.74 0.15 0.00 0.70 0.00 0.00 55.95 57.55 1njf s SER 213 Cb 0.00 -2.34 0.36 0.00 -1.71 0.00 0.00 66.02 62.33 1njf s SER 213 CO 0.00 -0.34 1.58 0.25 1.20 0.00 0.00 173.24 175.93 1njf h LEU 214 N 8.70 0.00 -0.26 3.45 5.85 -0.91 -2.47 115.31 129.67 1njf h LEU 214 Ca -0.28 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1njf h LEU 214 Cb 1.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1njf h LEU 214 CO 0.77 0.52 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.27 1njf h ARG 215 N 0.00 0.49 -0.31 1.25 2.43 -1.84 -1.78 114.38 114.61 1njf h ARG 215 Ca -0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 1njf h ARG 215 Cb 1.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1njf h ARG 215 CO 0.07 0.68 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.64 1njf h ASP 216 N 0.25 0.53 -0.32 -3.80 3.32 -1.85 0.34 116.42 114.89 1njf h ASP 216 Ca 0.07 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1njf h ASP 216 Cb 0.49 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1njf h ASP 216 CO 0.02 0.70 0.18 0.00 -1.72 0.00 0.00 179.24 178.42 1njf h ALA 217 N 1.36 0.40 -0.42 3.45 0.00 -1.21 0.56 119.26 123.40 1njf h ALA 217 Ca 0.09 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1njf h ALA 217 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1njf h ALA 217 CO 0.03 -0.18 -0.25 -0.07 0.00 0.00 0.00 179.25 178.78 1njf h LEU 218 N 0.38 0.92 -0.41 0.00 3.38 -0.98 -0.68 115.31 117.91 1njf h LEU 218 Ca 0.13 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1njf h LEU 218 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1njf h LEU 218 CO -0.07 1.12 0.24 -1.28 0.09 0.00 0.00 178.44 178.54 1njf h SER 219 N 0.76 0.50 -0.05 -0.43 0.87 -0.32 -0.50 113.55 114.38 1njf h SER 219 Ca 0.09 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 1njf h SER 219 Cb 0.81 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1njf h SER 219 CO 0.07 0.42 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.61 1njf h LEU 220 N 0.54 0.31 -0.27 2.23 3.38 0.35 -2.58 115.31 119.25 1njf h LEU 220 Ca 0.15 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1njf h LEU 220 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1njf h LEU 220 CO -0.03 0.45 -0.11 0.74 0.09 0.00 0.00 178.44 179.58 1njf h THR 221 N 0.31 1.29 -0.55 0.22 2.02 -0.47 -1.76 112.91 113.97 1njf h THR 221 Ca 0.06 -1.18 0.07 0.00 0.77 0.00 0.00 66.41 66.13 1njf h THR 221 Cb 0.38 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.23 1njf h THR 221 CO 0.02 0.37 0.24 0.44 0.37 0.00 0.00 175.52 176.96 1njf h ASP 222 N 0.29 0.30 -0.80 4.18 3.32 -0.85 -0.50 116.42 122.36 1njf h ASP 222 Ca 0.06 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1njf h ASP 222 Cb 0.61 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1njf h ASP 222 CO 0.04 0.20 0.34 -0.61 -1.72 0.00 0.00 179.24 177.48 1njf h GLN 223 N 0.45 1.18 -0.48 3.56 4.15 -1.35 -1.38 115.11 121.25 1njf h GLN 223 Ca 0.26 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1njf h GLN 223 Cb 0.24 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1njf h GLN 223 CO -0.22 0.95 0.11 0.00 -1.93 0.00 0.00 178.83 177.73 1njf h ALA 224 N 1.18 1.29 0.06 3.38 0.00 -0.38 0.43 119.26 125.23 1njf h ALA 224 Ca 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1njf h ALA 224 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1njf h ALA 224 CO -0.03 0.50 -0.03 0.82 0.00 0.00 0.00 179.25 180.51 1njf h ILE 225 N 0.71 1.24 -0.61 0.00 2.04 -0.68 0.28 117.51 120.49 1njf h ILE 225 Ca 0.16 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1njf h ILE 225 Cb 0.27 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1njf h ILE 225 CO -0.00 0.28 0.16 0.00 0.00 0.00 0.00 178.15 178.59 1njf h ALA 226 N 0.26 1.13 0.00 1.87 0.00 -1.19 -2.02 119.26 119.30 1njf h ALA 226 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1njf h ALA 226 Cb 0.52 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1njf h ALA 226 CO 0.01 0.59 -0.52 0.77 0.00 0.00 0.00 179.25 180.11 1njf h SER 227 N 0.91 0.00 -1.15 0.00 0.02 -0.97 -3.39 113.55 108.97 1njf h SER 227 Ca 0.20 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.47 1njf h SER 227 Cb 0.31 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.55 1njf h SER 227 CO -0.00 0.11 0.67 0.61 -1.14 0.00 0.00 176.83 177.08 1njf n GLY 228 N 1.17 5.89 3.84 -3.77 0.00 0.98 -4.91 105.19 108.38 1njf n GLY 228 Ca 0.01 -2.39 -0.25 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.82 -2.09 -2.47 1.61 9.92 -1.25 -1.64 116.55 119.81 1njf n ASP 229 Ca 0.59 -0.86 -0.21 0.00 -0.53 0.00 0.00 54.79 53.78 1njf n ASP 229 Cb 0.62 -3.74 -0.01 0.00 -0.64 0.00 0.00 41.12 37.36 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 -1.68 -0.50 3.17 0.44 0.00 -0.78 -4.98 105.19 100.85 1njf n GLY 230 Ca -0.19 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1njf n GLY 230 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1njf s GLN 231 N -5.12 0.54 -0.73 1.61 0.74 -0.65 -4.61 119.66 111.45 1njf s GLN 231 Ca 0.03 -0.23 -0.08 0.00 0.05 0.00 0.00 55.36 55.13 1njf s GLN 231 Cb -0.01 0.24 0.19 0.00 1.10 0.00 0.00 33.01 34.52 1njf s GLN 231 CO 0.04 -0.14 0.60 0.08 -0.55 0.00 0.00 175.29 175.32 1njf s VAL 232 N -1.21 4.62 0.03 1.34 1.01 -0.16 -4.40 120.40 121.64 1njf s VAL 232 Ca -0.13 -2.75 0.00 0.00 0.00 0.00 0.00 61.98 59.11 1njf s VAL 232 Cb -0.06 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1njf s VAL 232 CO 0.03 -0.95 0.11 -0.94 0.00 0.00 0.00 175.10 173.34 1njf s SER 233 N 1.36 5.80 0.23 3.32 1.04 -1.26 -1.38 113.70 122.81 1njf s SER 233 Ca 0.18 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 1njf s SER 233 Cb -0.15 -1.67 0.36 0.00 0.10 0.00 0.00 66.02 64.65 1njf s SER 233 CO -0.06 0.23 1.74 0.74 0.98 0.00 0.00 173.24 176.87 1njf h THR 234 N 2.84 0.71 -0.62 2.02 2.02 -1.93 -0.76 112.91 117.19 1njf h THR 234 Ca -0.48 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 1njf h THR 234 Cb 1.17 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1njf h THR 234 CO 0.66 0.08 0.11 -0.61 0.37 0.00 0.00 175.52 176.13 1njf h GLN 235 N 0.42 1.02 -0.02 6.66 4.15 -2.00 -2.01 115.11 123.34 1njf h GLN 235 Ca 0.36 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1njf h GLN 235 Cb 0.49 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1njf h GLN 235 CO -0.36 0.95 -0.05 0.00 -1.93 0.00 0.00 178.83 177.44 1njf h ALA 236 N 1.03 0.03 -0.80 3.38 0.00 -1.91 -2.80 119.26 118.20 1njf h ALA 236 Ca 0.19 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1njf h ALA 236 Cb 0.41 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1njf h ALA 236 CO 0.01 -0.13 0.41 0.28 0.00 0.00 0.00 179.25 179.83 1njf h VAL 237 N -0.50 0.79 -0.39 0.00 2.07 -1.13 0.96 116.25 118.06 1njf h VAL 237 Ca -0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1njf h VAL 237 Cb 0.65 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1njf h VAL 237 CO 0.01 0.12 0.18 0.28 0.02 0.00 0.00 177.57 178.18 1njf h SER 238 N 0.64 0.51 0.15 0.57 0.02 -1.39 -0.83 113.55 113.23 1njf h SER 238 Ca 0.42 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.15 1njf h SER 238 Cb 0.51 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1njf h SER 238 CO -0.32 0.50 -0.30 0.00 -1.14 0.00 0.00 176.83 175.58 1njf h ALA 239 N 1.03 1.25 0.00 3.77 0.00 -1.09 0.38 119.26 124.60 1njf h ALA 239 Ca 0.13 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1njf h ALA 239 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1njf h ALA 239 CO -0.02 0.50 -0.46 1.98 0.00 0.00 0.00 179.25 181.26 1njf h MET 240 N 0.22 0.00 0.00 0.00 -1.53 -0.37 -3.18 114.93 110.08 1njf h MET 240 Ca 0.03 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.15 1njf h MET 240 Cb 0.65 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.67 1njf h MET 240 CO 0.05 0.46 -1.73 1.28 0.14 0.00 0.00 176.91 177.11 1njf n LEU 241 N -3.79 0.43 0.00 3.39 4.77 -0.36 -4.97 117.00 116.48 1njf n LEU 241 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1njf n LEU 241 Cb 0.51 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1njf n LEU 241 CO 0.39 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1njf n GLY 242 N 1.40 3.17 0.75 -0.72 0.00 0.13 -5.09 105.19 104.83 1njf n GLY 242 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1njf n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73