#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azi s LEU 2 N 0.00 2.95 0.29 0.99 1.02 -1.26 -5.11 118.68 117.56 1azi s LEU 2 Ca 0.00 -1.15 0.07 0.00 0.02 0.00 0.00 54.13 53.07 1azi s LEU 2 Cb 0.00 -1.20 -0.03 0.00 0.02 0.00 0.00 46.19 44.99 1azi s LEU 2 CO 0.00 -0.37 0.32 -0.94 0.02 0.00 0.00 176.35 175.39 1azi s SER 3 N -3.75 5.77 0.24 2.29 1.04 -1.26 -4.95 113.70 113.09 1azi s SER 3 Ca 0.36 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 1azi s SER 3 Cb 0.04 -1.38 0.40 0.00 0.10 0.00 0.00 66.02 65.19 1azi s SER 3 CO 0.19 -0.21 1.62 0.44 0.98 0.00 0.00 173.24 176.27 1azi h ASP 4 N 1.21 -0.45 -0.56 7.02 3.32 -2.01 0.12 116.42 125.07 1azi h ASP 4 Ca -0.48 0.21 0.11 0.00 0.02 0.00 0.00 57.03 56.89 1azi h ASP 4 Cb 1.24 0.38 -0.10 0.00 0.22 0.00 0.00 39.33 41.08 1azi h ASP 4 CO 0.58 -0.20 -0.02 1.23 -1.72 0.00 0.00 179.24 179.11 1azi h GLY 5 N 0.07 0.55 2.00 2.75 0.00 -1.99 0.35 103.07 106.80 1azi h GLY 5 Ca 0.40 0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.71 1azi h GLY 5 CO -0.70 -0.18 -0.55 0.83 0.00 0.00 0.00 176.54 175.94 1azi h GLU 6 N 0.09 0.00 0.00 4.80 5.08 -1.31 -2.01 114.58 121.23 1azi h GLU 6 Ca 0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1azi h GLU 6 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1azi h GLU 6 CO -0.49 0.55 -0.49 -1.49 -1.00 0.00 0.00 179.01 176.09 1azi h TRP 7 N 0.00 0.00 0.77 4.33 -0.00 0.19 -2.00 115.95 119.24 1azi h TRP 7 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 1azi h TRP 7 Cb 1.06 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.23 1azi h TRP 7 CO 0.00 0.49 -0.37 1.96 -0.00 0.00 0.00 178.44 180.52 1azi h GLN 8 N 0.00 -0.99 -0.74 0.49 4.20 -0.29 -0.86 115.11 116.93 1azi h GLN 8 Ca -0.00 0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.93 1azi h GLN 8 Cb 1.01 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 1azi h GLN 8 CO 0.06 -0.66 0.50 0.37 -0.67 0.00 0.00 178.83 178.43 1azi h GLN 9 N -1.11 0.31 0.08 1.46 5.75 -1.27 0.43 115.11 120.76 1azi h GLN 9 Ca -0.11 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1azi h GLN 9 Cb 0.79 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.27 1azi h GLN 9 CO 0.17 0.20 -0.04 0.28 -2.65 0.00 0.00 178.83 176.80 1azi h VAL 10 N 0.32 1.19 0.00 2.39 2.07 -1.23 -1.84 116.25 119.15 1azi h VAL 10 Ca 0.36 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 1azi h VAL 10 Cb 0.95 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1azi h VAL 10 CO -0.10 0.27 -0.47 -0.07 0.02 0.00 0.00 177.57 177.22 1azi h LEU 11 N -0.64 0.00 0.50 2.57 3.38 -0.63 -0.04 115.31 120.45 1azi h LEU 11 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1azi h LEU 11 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1azi h LEU 11 CO 0.02 0.47 -0.24 -1.13 0.09 0.00 0.00 178.44 177.65 1azi h ASN 12 N 0.00 -0.56 -0.52 -0.43 -0.73 -0.14 -0.93 115.58 112.27 1azi h ASN 12 Ca -0.00 0.02 0.15 0.00 1.87 0.00 0.00 56.30 58.34 1azi h ASN 12 Cb 1.24 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.95 1azi h ASN 12 CO 0.06 -0.38 0.55 0.58 -0.37 0.00 0.00 177.43 177.88 1azi h VAL 13 N -0.72 0.34 0.00 2.57 2.07 -1.34 0.82 116.25 119.98 1azi h VAL 13 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1azi h VAL 13 Cb 0.51 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1azi h VAL 13 CO 0.11 0.00 0.00 1.87 0.02 0.00 0.00 177.57 179.57 1azi n TRP 14 N -3.69 0.46 0.08 1.57 -0.00 -0.03 -2.78 117.44 113.05 1azi n TRP 14 Ca 0.10 0.18 -0.12 0.00 -0.00 0.00 0.00 57.50 57.67 1azi n TRP 14 Cb 0.75 -0.79 -0.05 0.00 -0.00 0.00 0.00 31.31 31.22 1azi n TRP 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1azi h GLY 15 N 2.31 -0.28 1.18 5.87 0.00 0.89 0.09 103.07 113.13 1azi h GLY 15 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1azi h GLY 15 CO 0.00 -0.17 0.17 0.50 0.00 0.00 0.00 176.54 177.05 1azi h LYS 16 N -0.31 1.03 -0.16 4.80 1.57 -1.66 -3.10 116.57 118.73 1azi h LYS 16 Ca 0.04 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1azi h LYS 16 Cb 0.36 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1azi h LYS 16 CO -0.13 0.90 -0.27 0.28 -0.57 0.00 0.00 179.45 179.66 1azi h VAL 17 N 0.98 1.35 -0.29 0.50 2.07 -1.51 -3.24 116.25 116.11 1azi h VAL 17 Ca 0.21 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1azi h VAL 17 Cb 0.32 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1azi h VAL 17 CO -0.00 0.45 -0.14 -0.33 0.02 0.00 0.00 177.57 177.57 1azi h GLU 18 N 0.10 0.51 0.00 1.57 5.08 -0.99 -2.63 114.58 118.22 1azi h GLU 18 Ca 0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1azi h GLU 18 Cb 0.85 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1azi h GLU 18 CO 0.06 0.64 0.04 0.00 -1.00 0.00 0.00 179.01 178.75 1azi h ALA 19 N 1.39 1.03 -0.10 3.43 0.00 -1.56 -3.31 119.26 120.13 1azi h ALA 19 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1azi h ALA 19 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.17 1azi h ALA 19 CO 0.03 -0.03 -0.42 -3.47 0.00 0.00 0.00 179.25 175.36 1azi n ASP 20 N -2.60 -2.72 -0.08 0.00 2.03 -1.01 -5.04 116.55 107.13 1azi n ASP 20 Ca -0.02 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1azi n ASP 20 Cb 0.09 1.66 0.29 0.00 -0.72 0.00 0.00 41.12 42.44 1azi n ASP 20 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1azi h ILE 21 N 2.96 1.18 0.02 5.18 3.07 -1.60 -1.05 117.51 127.26 1azi h ILE 21 Ca -0.14 -0.53 -0.21 0.00 1.55 0.00 0.00 64.86 65.53 1azi h ILE 21 Cb 1.06 0.55 -0.01 0.00 -0.27 0.00 0.00 36.82 38.16 1azi h ILE 21 CO 0.22 0.21 -0.94 0.00 -1.05 0.00 0.00 178.15 176.59 1azi h ALA 22 N 1.54 0.42 -0.03 0.16 0.00 -1.89 0.58 119.26 120.03 1azi h ALA 22 Ca 0.18 -0.74 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 1azi h ALA 22 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1azi h ALA 22 CO -0.02 0.91 -0.81 0.78 0.00 0.00 0.00 179.25 180.11 1azi h GLY 23 N 1.70 0.32 1.17 0.00 0.00 -1.89 -0.65 103.07 103.72 1azi h GLY 23 Ca -0.06 -0.51 -0.34 0.00 0.00 0.00 0.00 47.33 46.42 1azi h GLY 23 CO 0.15 0.45 -1.57 0.45 0.00 0.00 0.00 176.54 176.02 1azi h HIS 24 N 0.18 0.84 -0.24 5.60 3.86 -1.12 -2.88 115.15 121.39 1azi h HIS 24 Ca -0.04 -0.62 -0.03 0.00 -1.16 0.00 0.00 60.37 58.52 1azi h HIS 24 Cb 1.40 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.82 1azi h HIS 24 CO 0.04 1.58 0.02 0.78 0.86 0.00 0.00 177.93 181.20 1azi h GLY 25 N 0.50 0.38 0.70 2.45 0.00 0.18 -2.53 103.07 104.75 1azi h GLY 25 Ca -0.28 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1azi h GLY 25 CO 0.23 0.19 -0.27 -1.61 0.00 0.00 0.00 176.54 175.08 1azi h GLN 26 N 0.35 0.34 -0.41 4.80 4.15 -1.16 -3.14 115.11 120.04 1azi h GLN 26 Ca 0.08 -0.25 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1azi h GLN 26 Cb 0.21 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1azi h GLN 26 CO 0.00 0.86 -0.20 0.93 -1.93 0.00 0.00 178.83 178.50 1azi h GLU 27 N -0.12 0.86 0.28 1.69 5.08 -1.42 -1.83 114.58 119.12 1azi h GLU 27 Ca -0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1azi h GLU 27 Cb 0.89 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1azi h GLU 27 CO 0.06 1.02 -0.29 0.28 -1.00 0.00 0.00 179.01 179.08 1azi h VAL 28 N 0.68 0.39 -0.69 3.13 2.07 -1.55 1.18 116.25 121.47 1azi h VAL 28 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1azi h VAL 28 Cb 0.76 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1azi h VAL 28 CO 0.06 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 178.01 1azi h LEU 29 N -0.60 0.70 -1.39 2.57 3.38 -1.60 0.47 115.31 118.84 1azi h LEU 29 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1azi h LEU 29 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1azi h LEU 29 CO -0.06 0.48 -0.26 0.40 0.09 0.00 0.00 178.44 179.09 1azi h ILE 30 N 0.83 0.80 0.06 1.22 2.04 -1.09 -0.70 117.51 120.66 1azi h ILE 30 Ca 0.28 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1azi h ILE 30 Cb 0.02 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1azi h ILE 30 CO -0.11 0.25 -0.03 -0.09 0.00 0.00 0.00 178.15 178.18 1azi h ARG 31 N 0.00 -0.07 0.16 2.37 9.65 0.59 -3.04 114.38 124.03 1azi h ARG 31 Ca -0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1azi h ARG 31 Cb 0.62 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1azi h ARG 31 CO 0.03 0.32 -0.13 1.25 2.80 0.00 0.00 179.97 184.24 1azi h LEU 32 N -0.48 -0.35 -1.96 3.80 5.85 -0.34 -0.49 115.31 121.34 1azi h LEU 32 Ca -0.01 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1azi h LEU 32 Cb 0.42 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1azi h LEU 32 CO 0.01 -0.18 0.45 -0.26 -0.34 0.00 0.00 178.44 178.13 1azi h PHE 33 N -0.28 0.00 0.05 1.25 0.04 -1.27 0.60 116.94 117.33 1azi h PHE 33 Ca -0.02 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.38 1azi h PHE 33 Cb 0.24 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 1azi h PHE 33 CO -0.06 0.00 -2.22 0.25 -0.60 0.00 0.00 178.31 175.69 1azi n THR 34 N -3.69 1.61 -0.18 -1.55 -2.24 -1.13 -3.47 114.28 103.63 1azi n THR 34 Ca 0.07 -0.65 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 1azi n THR 34 Cb 0.63 -1.43 0.12 0.00 -2.10 0.00 0.00 70.33 67.55 1azi n THR 34 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1azi h GLY 35 N 1.95 1.03 -6.76 3.38 0.00 -0.02 -3.37 103.07 99.28 1azi h GLY 35 Ca -0.49 -0.65 -0.60 0.00 0.00 0.00 0.00 47.33 45.59 1azi h GLY 35 CO 0.01 0.60 -0.79 0.30 0.00 0.00 0.00 176.54 176.65 1azi s HIS 36 N -5.18 1.87 0.66 5.60 3.76 0.20 -5.01 115.29 117.19 1azi s HIS 36 Ca -0.11 -2.49 0.31 0.00 -0.15 0.00 0.00 55.06 52.63 1azi s HIS 36 Cb 0.15 -1.63 1.70 0.00 1.11 0.00 0.00 32.58 33.92 1azi s HIS 36 CO 0.83 -0.75 1.97 -1.35 -0.85 0.00 0.00 174.74 174.58 1azi h PRO 37 N 6.14 0.00 0.00 8.40 0.11 -1.74 0.53 132.00 145.44 1azi h PRO 37 Ca 0.12 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 1azi h PRO 37 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1azi h PRO 37 CO 0.47 0.00 -0.47 1.05 -0.21 0.00 0.00 178.00 178.84 1azi h GLU 38 N 0.00 0.00 -0.05 1.05 9.09 -1.93 -3.03 114.58 119.71 1azi h GLU 38 Ca 0.02 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.36 1azi h GLU 38 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.72 1azi h GLU 38 CO -0.00 0.47 -0.26 1.79 0.05 0.00 0.00 179.01 181.06 1azi h THR 39 N 0.00 1.21 -0.80 -1.06 1.35 -1.23 -2.51 112.91 109.87 1azi h THR 39 Ca -0.00 -0.99 0.06 0.00 -0.55 0.00 0.00 66.41 64.92 1azi h THR 39 Cb 1.32 1.46 -0.05 0.00 -1.73 0.00 0.00 68.15 69.16 1azi h THR 39 CO 0.06 0.29 0.53 0.25 -0.25 0.00 0.00 175.52 176.40 1azi h LEU 40 N 0.08 0.79 -2.22 3.87 5.85 -1.63 -1.69 115.31 120.35 1azi h LEU 40 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1azi h LEU 40 Cb 0.51 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1azi h LEU 40 CO 0.04 0.52 0.00 -0.33 -0.34 0.00 0.00 178.44 178.32 1azi h GLU 41 N 0.90 0.00 0.00 1.25 4.39 -1.55 -1.93 114.58 117.64 1azi h GLU 41 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1azi h GLU 41 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1azi h GLU 41 CO -0.11 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.37 1azi n LYS 42 N -2.86 0.20 -3.67 2.33 4.76 -0.64 -4.40 118.16 113.90 1azi n LYS 42 Ca -0.02 0.34 -0.38 0.00 -2.87 0.00 0.00 58.31 55.38 1azi n LYS 42 Cb 0.12 -1.83 -0.10 0.00 -1.84 0.00 0.00 35.03 31.39 1azi n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1azi s PHE 43 N -3.23 3.50 0.45 2.13 0.40 -0.72 -4.94 117.98 115.57 1azi s PHE 43 Ca 0.07 -2.28 0.23 0.00 -0.60 0.00 0.00 56.93 54.34 1azi s PHE 43 Cb 0.10 -3.34 1.23 0.00 0.51 0.00 0.00 43.02 41.53 1azi s PHE 43 CO 0.45 -0.95 1.83 -0.44 0.70 0.00 0.00 175.22 176.81 1azi h ASP 44 N 7.95 0.28 -0.05 1.36 5.19 -1.83 0.58 116.42 129.90 1azi h ASP 44 Ca -0.12 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1azi h ASP 44 Cb 1.03 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1azi h ASP 44 CO 0.76 0.08 -0.01 0.50 -3.12 0.00 0.00 179.24 177.46 1azi h LYS 45 N 0.27 0.18 0.00 3.56 3.64 -1.93 -3.28 116.57 119.00 1azi h LYS 45 Ca 0.52 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1azi h LYS 45 Cb 1.55 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1azi h LYS 45 CO -0.16 0.20 0.00 1.19 -2.27 0.00 0.00 179.45 178.41 1azi n PHE 46 N -4.42 0.00 0.26 1.91 3.72 0.18 -4.72 117.46 114.39 1azi n PHE 46 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1azi n PHE 46 Cb 0.15 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.37 1azi n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1azi h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -0.95 0.29 116.57 116.92 1azi h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1azi h LYS 47 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1azi h LYS 47 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 1azi n HIS 48 N -2.56 0.20 -2.87 0.07 1.44 -1.26 -4.78 115.22 105.46 1azi n HIS 48 Ca -0.02 0.06 -0.41 0.00 -2.01 0.00 0.00 57.72 55.35 1azi n HIS 48 Cb 0.30 -0.60 -0.04 0.00 0.12 0.00 0.00 29.99 29.77 1azi n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1azi s LEU 49 N -3.34 4.25 -0.04 2.39 1.43 0.10 -4.96 118.68 118.52 1azi s LEU 49 Ca 0.11 1.32 0.13 0.00 -1.03 0.00 0.00 54.13 54.66 1azi s LEU 49 Cb 0.15 -3.30 -0.19 0.00 0.03 0.00 0.00 46.19 42.88 1azi s LEU 49 CO 0.48 -0.31 0.24 0.29 0.23 0.00 0.00 176.35 177.28 1azi n LYS 50 N 4.61 0.69 -4.35 1.70 4.76 -1.26 -5.05 118.16 119.26 1azi n LYS 50 Ca 0.04 -0.10 -0.18 0.00 -2.87 0.00 0.00 58.31 55.20 1azi n LYS 50 Cb 0.50 -1.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.28 1azi n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1azi s THR 51 N -2.80 1.47 0.15 -0.18 -4.23 -1.26 -5.05 115.64 103.74 1azi s THR 51 Ca -0.05 -2.13 -0.15 0.00 -1.18 0.00 0.00 61.69 58.19 1azi s THR 51 Cb 0.07 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.77 1azi s THR 51 CO 0.53 -0.50 1.70 -0.08 -0.54 0.00 0.00 174.62 175.74 1azi h GLU 52 N 2.51 0.69 -0.03 3.99 4.81 -1.99 -2.54 114.58 122.02 1azi h GLU 52 Ca -0.38 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1azi h GLU 52 Cb 1.22 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1azi h GLU 52 CO 0.64 0.62 -0.14 0.00 -0.73 0.00 0.00 179.01 179.40 1azi h ALA 53 N 1.04 -0.56 0.00 2.92 0.00 -2.00 -0.14 119.26 120.52 1azi h ALA 53 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1azi h ALA 53 Cb 0.18 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1azi h ALA 53 CO -0.01 -0.61 0.26 0.93 0.00 0.00 0.00 179.25 179.81 1azi h GLU 54 N -0.15 0.00 0.14 0.00 5.08 -1.91 0.04 114.58 117.78 1azi h GLU 54 Ca 0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1azi h GLU 54 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1azi h GLU 54 CO -0.11 0.00 -1.12 0.52 -1.00 0.00 0.00 179.01 177.29 1azi h MET 55 N 0.00 0.29 -0.25 2.33 2.86 -0.65 -3.35 114.93 116.17 1azi h MET 55 Ca 0.00 -0.50 -0.13 0.00 -2.06 0.00 0.00 59.70 57.01 1azi h MET 55 Cb 0.51 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1azi h MET 55 CO 0.00 1.24 -0.37 0.87 1.06 0.00 0.00 176.91 179.71 1azi h LYS 56 N -0.31 0.57 -1.55 1.72 1.57 0.39 -2.95 116.57 116.01 1azi h LYS 56 Ca -0.22 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1azi h LYS 56 Cb 1.73 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1azi h LYS 56 CO 0.12 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.85 1azi n ALA 57 N -2.50 2.89 -3.70 3.86 0.00 -0.54 -4.72 120.51 115.80 1azi n ALA 57 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1azi n ALA 57 Cb 0.50 -1.08 -0.18 0.00 0.00 0.00 0.00 19.45 18.69 1azi n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1azi s SER 58 N 1.46 1.46 0.41 0.00 0.15 -1.12 -4.95 113.70 111.11 1azi s SER 58 Ca 0.00 -0.07 0.22 0.00 0.70 0.00 0.00 55.95 56.80 1azi s SER 58 Cb 0.00 -0.26 0.45 0.00 -1.71 0.00 0.00 66.02 64.50 1azi s SER 58 CO 0.00 -0.24 1.63 -0.33 1.20 0.00 0.00 173.24 175.50 1azi h GLU 59 N 8.39 0.00 -0.38 5.44 4.39 -1.88 -3.09 114.58 127.45 1azi h GLU 59 Ca -0.15 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 1azi h GLU 59 Cb 1.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1azi h GLU 59 CO 0.20 0.17 -0.35 0.22 -1.16 0.00 0.00 179.01 178.10 1azi h ASP 60 N 0.00 0.93 -0.30 1.42 3.58 -1.96 -2.53 116.42 117.55 1azi h ASP 60 Ca -0.00 -0.40 -0.17 0.00 0.42 0.00 0.00 57.03 56.87 1azi h ASP 60 Cb 1.02 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 1azi h ASP 60 CO 0.02 1.18 -0.48 0.25 -2.88 0.00 0.00 179.24 177.33 1azi h LEU 61 N 0.73 0.96 -0.87 2.28 5.85 -1.91 0.97 115.31 123.33 1azi h LEU 61 Ca 0.07 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1azi h LEU 61 Cb 0.92 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1azi h LEU 61 CO 0.08 1.28 0.57 0.50 -0.34 0.00 0.00 178.44 180.53 1azi h LYS 62 N 0.69 1.14 0.87 1.25 3.64 -1.45 0.52 116.57 123.24 1azi h LYS 62 Ca 0.03 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1azi h LYS 62 Cb 1.08 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1azi h LYS 62 CO 0.11 0.76 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.41 1azi h LYS 63 N 1.18 -1.13 -0.44 1.90 3.64 -1.35 -3.03 116.57 117.33 1azi h LYS 63 Ca 0.32 0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 1azi h LYS 63 Cb -0.12 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1azi h LYS 63 CO -0.07 -0.75 0.15 1.25 -2.27 0.00 0.00 179.45 177.76 1azi h HIS 64 N -1.30 0.27 -0.14 1.91 2.76 -0.46 -2.26 115.15 115.92 1azi h HIS 64 Ca -0.12 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1azi h HIS 64 Cb 0.90 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 1azi h HIS 64 CO 0.00 0.09 0.31 0.78 -1.30 0.00 0.00 177.93 177.82 1azi h GLY 65 N 0.32 0.00 0.67 5.26 0.00 -0.96 0.16 103.07 108.51 1azi h GLY 65 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.22 1azi h GLY 65 CO -0.21 0.00 -1.93 2.41 0.00 0.00 0.00 176.54 176.81 1azi n THR 66 N -3.29 1.55 -0.12 4.70 -1.04 -0.89 -3.26 114.28 111.94 1azi n THR 66 Ca 0.01 -0.81 -0.11 0.00 -2.04 0.00 0.00 64.05 61.11 1azi n THR 66 Cb 0.41 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.99 1azi n THR 66 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1azi h VAL 67 N 0.00 1.26 0.27 12.58 2.07 -0.56 -2.93 116.25 128.94 1azi h VAL 67 Ca -0.37 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1azi h VAL 67 Cb 2.08 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1azi h VAL 67 CO 0.06 0.33 -0.13 0.58 0.02 0.00 0.00 177.57 178.43 1azi h VAL 68 N 0.41 0.68 0.00 2.57 2.07 -1.53 -0.27 116.25 120.17 1azi h VAL 68 Ca 0.09 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1azi h VAL 68 Cb 0.47 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1azi h VAL 68 CO 0.02 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.93 1azi n LEU 69 N -5.06 0.45 0.13 2.57 4.77 -1.20 -0.86 117.00 117.79 1azi n LEU 69 Ca -0.09 0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 1azi n LEU 69 Cb 0.26 -0.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.64 1azi n LEU 69 CO 0.27 -0.47 -0.26 0.74 -1.33 0.00 0.00 177.39 176.34 1azi h THR 70 N 0.00 1.26 0.03 -5.08 2.02 -1.53 -1.25 112.91 108.36 1azi h THR 70 Ca 0.00 -2.74 -0.13 0.00 0.77 0.00 0.00 66.41 64.31 1azi h THR 70 Cb 0.32 2.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1azi h THR 70 CO 0.00 0.83 -0.53 0.00 0.37 0.00 0.00 175.52 176.19 1azi h ALA 71 N 0.24 0.02 0.13 6.16 0.00 -0.35 -3.14 119.26 122.33 1azi h ALA 71 Ca -0.25 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1azi h ALA 71 Cb 2.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1azi h ALA 71 CO 0.24 0.27 -0.12 1.25 0.00 0.00 0.00 179.25 180.90 1azi h LEU 72 N -0.31 -0.31 -0.98 0.00 5.85 -1.13 -2.73 115.31 115.70 1azi h LEU 72 Ca -0.08 0.03 0.26 0.00 0.84 0.00 0.00 57.88 58.93 1azi h LEU 72 Cb 1.29 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 42.25 1azi h LEU 72 CO 0.10 -0.18 -0.02 0.61 -0.34 0.00 0.00 178.44 178.61 1azi n GLY 73 N -1.24 -1.39 0.15 3.75 0.00 -0.47 0.06 105.19 106.05 1azi n GLY 73 Ca -0.08 0.98 -0.06 0.00 0.00 0.00 0.00 46.02 46.86 1azi n GLY 73 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1azi h GLY 74 N 0.00 0.37 1.63 -0.02 0.00 -1.43 -1.65 103.07 101.97 1azi h GLY 74 Ca 0.58 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.72 1azi h GLY 74 CO -0.94 -0.04 -0.76 -2.22 0.00 0.00 0.00 176.54 172.58 1azi h ILE 75 N 0.15 1.40 -0.03 2.60 2.04 -1.14 -3.21 117.51 119.32 1azi h ILE 75 Ca 0.16 -2.22 -0.15 0.00 1.00 0.00 0.00 64.86 63.65 1azi h ILE 75 Cb 0.20 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1azi h ILE 75 CO -0.23 0.66 -0.67 -0.07 0.00 0.00 0.00 178.15 177.84 1azi h LEU 76 N 0.23 0.14 -0.13 1.44 3.38 0.25 -2.29 115.31 118.32 1azi h LEU 76 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1azi h LEU 76 Cb 1.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1azi h LEU 76 CO 0.13 0.76 0.00 0.29 0.09 0.00 0.00 178.44 179.71 1azi n LYS 77 N -3.79 0.07 0.15 1.13 5.02 -0.68 -2.82 118.16 117.24 1azi n LYS 77 Ca -0.02 0.21 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1azi n LYS 77 Cb 0.66 -1.61 0.08 0.00 -0.02 0.00 0.00 35.03 34.14 1azi n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1azi h LYS 78 N 0.00 0.00 -5.49 1.97 1.79 -1.42 -3.48 116.57 109.94 1azi h LYS 78 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1azi h LYS 78 Cb 0.40 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 31.24 1azi h LYS 78 CO 0.00 0.45 -0.85 1.63 -1.08 0.00 0.00 179.45 179.60 1azi n LYS 79 N -3.25 -2.75 -1.33 3.15 5.02 -1.13 -2.75 118.16 115.12 1azi n LYS 79 Ca 0.02 0.86 -0.11 0.00 -2.02 0.00 0.00 58.31 57.05 1azi n LYS 79 Cb 0.69 -5.80 -0.05 0.00 -0.02 0.00 0.00 35.03 29.85 1azi n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1azi n GLY 80 N -1.23 1.25 2.86 0.72 0.00 -1.26 -4.92 105.19 102.61 1azi n GLY 80 Ca -0.10 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1azi n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1azi n HIS 81 N -2.66 3.75 0.09 1.61 8.25 -1.11 -4.79 115.22 120.37 1azi n HIS 81 Ca -0.11 -3.66 0.04 0.00 -0.26 0.00 0.00 57.72 53.73 1azi n HIS 81 Cb 0.38 -0.66 0.07 0.00 1.12 0.00 0.00 29.99 30.90 1azi n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1azi n HIS 82 N -0.18 0.17 -0.34 4.41 1.44 -1.26 -4.69 115.22 114.77 1azi n HIS 82 Ca 0.35 -0.26 0.22 0.00 -2.01 0.00 0.00 57.72 56.01 1azi n HIS 82 Cb 0.36 -0.02 0.45 0.00 0.12 0.00 0.00 29.99 30.90 1azi n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1azi h GLU 83 N 1.49 0.39 0.06 -1.40 3.07 -1.97 0.66 114.58 116.88 1azi h GLU 83 Ca 0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1azi h GLU 83 Cb 0.51 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1azi h GLU 83 CO 0.00 0.26 -0.24 0.00 -1.40 0.00 0.00 179.01 177.63 1azi h ALA 84 N 1.81 -0.77 0.00 3.43 0.00 -2.00 0.24 119.26 121.98 1azi h ALA 84 Ca 0.71 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.49 1azi h ALA 84 Cb 1.53 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1azi h ALA 84 CO -0.57 -0.82 -0.34 0.93 0.00 0.00 0.00 179.25 178.45 1azi h GLU 85 N -0.35 0.00 0.15 0.00 3.07 -1.65 -3.32 114.58 112.48 1azi h GLU 85 Ca -0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 1azi h GLU 85 Cb 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1azi h GLU 85 CO -0.13 0.34 -1.86 1.25 -1.40 0.00 0.00 179.01 177.21 1azi h LEU 86 N 0.00 0.50 -0.80 1.33 5.85 0.40 -3.36 115.31 119.23 1azi h LEU 86 Ca -0.00 -0.90 0.16 0.00 0.84 0.00 0.00 57.88 57.98 1azi h LEU 86 Cb 1.05 -0.16 -0.15 0.00 0.37 0.00 0.00 40.66 41.77 1azi h LEU 86 CO 0.04 1.79 -0.18 0.50 -0.34 0.00 0.00 178.44 180.25 1azi h LYS 87 N 0.09 0.01 -0.41 1.25 1.63 -0.62 0.36 116.57 118.87 1azi h LYS 87 Ca -0.38 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.40 1azi h LYS 87 Cb 2.06 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.67 1azi h LYS 87 CO 0.13 0.00 0.14 -1.00 -3.45 0.00 0.00 179.45 175.28 1azi h PRO 88 N 0.01 0.59 -0.09 1.90 0.13 -1.75 -2.46 132.00 130.33 1azi h PRO 88 Ca 0.39 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 65.34 1azi h PRO 88 Cb 0.60 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1azi h PRO 88 CO -0.81 0.50 -0.33 -0.07 -0.23 0.00 0.00 178.00 177.06 1azi h LEU 89 N 0.58 0.44 -0.07 1.56 3.38 -0.92 -3.10 115.31 117.19 1azi h LEU 89 Ca 0.14 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.50 1azi h LEU 89 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1azi h LEU 89 CO -0.01 0.99 -0.05 0.00 0.09 0.00 0.00 178.44 179.46 1azi h ALA 90 N 0.46 0.01 -0.41 1.53 0.00 -0.23 -1.97 119.26 118.65 1azi h ALA 90 Ca -0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1azi h ALA 90 Cb 0.96 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1azi h ALA 90 CO 0.07 -0.52 -0.09 1.96 0.00 0.00 0.00 179.25 180.67 1azi h GLN 91 N -0.06 0.70 -0.29 0.00 4.20 -1.54 -1.32 115.11 116.80 1azi h GLN 91 Ca 0.05 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1azi h GLN 91 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1azi h GLN 91 CO -0.10 0.78 -0.26 0.66 -0.67 0.00 0.00 178.83 179.24 1azi h SER 92 N 0.65 0.73 0.56 1.46 4.64 -1.44 0.12 113.55 120.27 1azi h SER 92 Ca 0.12 -0.46 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 1azi h SER 92 Cb 0.53 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1azi h SER 92 CO 0.03 1.04 -0.39 0.45 -0.87 0.00 0.00 176.83 177.09 1azi h HIS 93 N 0.43 0.00 0.13 4.77 3.86 -1.28 0.31 115.15 123.37 1azi h HIS 93 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1azi h HIS 93 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1azi h HIS 93 CO 0.07 0.39 -0.06 0.00 0.86 0.00 0.00 177.93 179.19 1azi h ALA 94 N 1.61 -0.28 0.04 2.45 0.00 -1.00 0.72 119.26 122.80 1azi h ALA 94 Ca -0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1azi h ALA 94 Cb 0.77 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1azi h ALA 94 CO 0.05 -0.27 -1.02 1.79 0.00 0.00 0.00 179.25 179.80 1azi h THR 95 N -0.57 1.46 0.00 0.00 1.35 -0.87 -3.17 112.91 111.10 1azi h THR 95 Ca -0.02 -2.69 -0.21 0.00 -0.55 0.00 0.00 66.41 62.94 1azi h THR 95 Cb 0.13 2.60 -0.04 0.00 -1.73 0.00 0.00 68.15 69.12 1azi h THR 95 CO 0.03 0.79 -1.78 2.29 -0.25 0.00 0.00 175.52 176.60 1azi n LYS 96 N -3.65 0.34 0.07 4.72 2.85 -0.66 -4.62 118.16 117.21 1azi n LYS 96 Ca -0.06 0.08 -0.10 0.00 -1.05 0.00 0.00 58.31 57.18 1azi n LYS 96 Cb 0.89 -1.27 -0.13 0.00 -0.65 0.00 0.00 35.03 33.87 1azi n LYS 96 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1azi h HIS 97 N -0.00 0.15 -5.55 5.58 3.86 -0.55 -3.49 115.15 115.14 1azi h HIS 97 Ca -0.31 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 58.72 1azi h HIS 97 Cb 1.48 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.94 1azi h HIS 97 CO 0.02 1.09 -0.33 1.63 0.86 0.00 0.00 177.93 181.20 1azi n LYS 98 N -3.38 -1.70 -4.23 2.45 4.76 0.14 -4.99 118.16 111.20 1azi n LYS 98 Ca -0.04 1.61 -0.34 0.00 -2.87 0.00 0.00 58.31 56.68 1azi n LYS 98 Cb 0.97 -5.19 -0.15 0.00 -1.84 0.00 0.00 35.03 28.83 1azi n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1azi s ILE 99 N -2.79 2.76 0.49 -0.18 -1.09 0.20 -5.00 121.20 115.58 1azi s ILE 99 Ca 0.10 -0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 57.56 1azi s ILE 99 Cb -0.02 -2.20 -0.07 0.00 -1.58 0.00 0.00 42.46 38.59 1azi s ILE 99 CO 0.78 0.49 1.32 -2.65 -1.23 0.00 0.00 174.94 173.65 1azi n PRO 100 N 4.42 1.86 0.24 2.79 -0.02 -1.26 -4.75 135.00 138.27 1azi n PRO 100 Ca -0.19 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.14 1azi n PRO 100 Cb 0.51 -2.50 0.88 0.00 -0.02 0.00 0.00 33.50 32.37 1azi n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1azi h ILE 101 N 1.79 0.31 -0.01 4.25 6.09 -1.95 0.60 117.51 128.59 1azi h ILE 101 Ca -0.50 0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 62.82 1azi h ILE 101 Cb 1.30 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 39.39 1azi h ILE 101 CO 0.58 0.00 -0.79 0.50 -3.07 0.00 0.00 178.15 175.38 1azi h LYS 102 N 0.00 0.17 0.00 2.19 3.64 -1.98 -1.97 116.57 118.62 1azi h LYS 102 Ca 0.07 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1azi h LYS 102 Cb 0.49 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1azi h LYS 102 CO -0.00 0.87 -0.05 1.88 -2.27 0.00 0.00 179.45 179.88 1azi h TYR 103 N 0.10 0.00 0.00 1.91 -1.99 -1.24 0.25 116.97 116.01 1azi h TYR 103 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1azi h TYR 103 Cb 1.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1azi h TYR 103 CO 0.02 0.05 -1.03 1.28 -0.00 0.00 0.00 178.16 178.48 1azi n LEU 104 N -3.26 0.83 0.08 3.88 4.77 -1.08 -3.32 117.00 118.90 1azi n LEU 104 Ca -0.01 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 1azi n LEU 104 Cb 0.24 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.13 1azi n LEU 104 CO 0.27 -0.18 -0.03 -0.08 -1.33 0.00 0.00 177.39 176.03 1azi h GLU 105 N 0.00 0.46 0.32 3.23 4.81 0.12 -3.27 114.58 120.25 1azi h GLU 105 Ca 0.00 -0.70 -0.02 0.00 -0.13 0.00 0.00 59.36 58.52 1azi h GLU 105 Cb 1.00 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1azi h GLU 105 CO 0.00 1.32 -0.16 0.74 -0.73 0.00 0.00 179.01 180.18 1azi h PHE 106 N -0.05 -0.40 -0.03 0.92 0.04 -0.81 -3.11 116.94 113.49 1azi h PHE 106 Ca -0.18 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.59 1azi h PHE 106 Cb 1.81 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 40.10 1azi h PHE 106 CO 0.15 -0.11 0.10 0.97 -0.60 0.00 0.00 178.31 178.83 1azi h ILE 107 N -0.68 0.16 0.01 -0.55 2.10 -1.71 -0.23 117.51 116.60 1azi h ILE 107 Ca -0.04 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.69 1azi h ILE 107 Cb 0.48 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 1azi h ILE 107 CO 0.07 0.00 -0.91 0.28 -1.08 0.00 0.00 178.15 176.51 1azi h SER 108 N 0.00 0.32 0.53 2.19 0.02 -1.59 -2.34 113.55 112.68 1azi h SER 108 Ca 0.02 -0.26 -0.28 0.00 -0.84 0.00 0.00 61.79 60.42 1azi h SER 108 Cb 0.22 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1azi h SER 108 CO -0.00 1.07 -1.25 0.44 -1.14 0.00 0.00 176.83 175.95 1azi h ASP 109 N 0.13 0.51 0.35 3.07 3.32 -1.03 -3.18 116.42 119.59 1azi h ASP 109 Ca -0.05 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 1azi h ASP 109 Cb 1.54 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 1azi h ASP 109 CO 0.14 1.40 -0.15 0.00 -1.72 0.00 0.00 179.24 178.91 1azi h ALA 110 N 0.53 1.36 0.28 3.45 0.00 -1.35 0.32 119.26 123.85 1azi h ALA 110 Ca -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1azi h ALA 110 Cb 1.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1azi h ALA 110 CO 0.21 0.19 -0.13 0.82 0.00 0.00 0.00 179.25 180.34 1azi h ILE 111 N 0.00 0.71 -0.71 0.00 2.04 -1.40 -2.49 117.51 115.65 1azi h ILE 111 Ca -0.00 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1azi h ILE 111 Cb 0.37 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1azi h ILE 111 CO 0.02 0.13 0.43 0.40 0.00 0.00 0.00 178.15 179.14 1azi h ILE 112 N -0.79 1.20 0.26 -0.67 2.04 -1.50 0.46 117.51 118.51 1azi h ILE 112 Ca -0.04 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1azi h ILE 112 Cb 0.51 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1azi h ILE 112 CO 0.06 0.21 -0.13 -0.74 0.00 0.00 0.00 178.15 177.55 1azi h HIS 113 N 0.98 -0.33 -0.38 1.37 2.76 -0.40 -2.76 115.15 116.39 1azi h HIS 113 Ca 0.26 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.50 1azi h HIS 113 Cb -0.05 0.11 -0.08 0.00 1.55 0.00 0.00 27.41 28.94 1azi h HIS 113 CO 0.00 -0.07 -0.20 0.28 -1.30 0.00 0.00 177.93 176.63 1azi h VAL 114 N -0.55 0.41 0.00 5.26 2.07 -1.18 -0.01 116.25 122.25 1azi h VAL 114 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1azi h VAL 114 Cb 0.40 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1azi h VAL 114 CO 0.06 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.39 1azi h LEU 115 N -0.14 0.00 -0.25 2.57 3.38 -0.92 -1.43 115.31 118.51 1azi h LEU 115 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 1azi h LEU 115 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1azi h LEU 115 CO -0.46 0.19 -0.90 0.45 0.09 0.00 0.00 178.44 177.80 1azi h HIS 116 N 0.00 0.32 0.01 1.13 3.86 -0.75 0.42 115.15 120.13 1azi h HIS 116 Ca -0.00 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1azi h HIS 116 Cb 0.36 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1azi h HIS 116 CO 0.00 1.00 -0.00 1.03 0.86 0.00 0.00 177.93 180.82 1azi h SER 117 N 0.11 -0.01 1.20 2.45 0.87 -0.81 -1.73 113.55 115.63 1azi h SER 117 Ca -0.05 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.16 1azi h SER 117 Cb 1.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1azi h SER 117 CO 0.14 0.27 -0.35 0.11 -0.53 0.00 0.00 176.83 176.47 1azi h LYS 118 N -0.29 0.00 -1.51 2.24 1.57 -1.34 -3.33 116.57 113.92 1azi h LYS 118 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1azi h LYS 118 Cb 0.28 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.19 1azi h LYS 118 CO 0.00 0.35 -1.02 0.72 -0.57 0.00 0.00 179.45 178.93 1azi n HIS 119 N -3.33 1.85 -1.94 -1.35 8.25 0.14 -5.07 115.22 113.78 1azi n HIS 119 Ca 0.01 -3.25 -0.39 0.00 -0.26 0.00 0.00 57.72 53.83 1azi n HIS 119 Cb 0.57 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 1azi n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1azi s PRO 120 N -3.12 2.73 0.00 -0.41 0.04 -0.65 -2.28 135.00 131.31 1azi s PRO 120 Ca 0.38 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1azi s PRO 120 Cb 0.40 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1azi s PRO 120 CO -0.06 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1azi n GLY 121 N 5.68 0.97 1.97 0.56 0.00 -1.26 -4.99 105.19 108.12 1azi n GLY 121 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1azi n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1azi n ASP 122 N 0.00 -0.17 -3.44 1.61 5.75 -0.97 -4.93 116.55 114.40 1azi n ASP 122 Ca 0.00 -2.07 -0.27 0.00 -0.01 0.00 0.00 54.79 52.45 1azi n ASP 122 Cb 0.00 0.12 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 1azi n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1azi n PHE 123 N -0.47 0.25 -2.11 2.11 7.35 -1.25 -5.08 117.46 118.27 1azi n PHE 123 Ca -0.11 -3.60 -0.27 0.00 -0.76 0.00 0.00 57.45 52.72 1azi n PHE 123 Cb 0.87 -0.08 0.07 0.00 0.35 0.00 0.00 39.48 40.69 1azi n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1azi s GLY 124 N -0.66 1.65 0.33 7.13 0.00 -1.26 -4.76 107.32 109.75 1azi s GLY 124 Ca 0.32 -0.79 0.13 0.00 0.00 0.00 0.00 44.72 44.38 1azi s GLY 124 CO -0.16 -0.37 1.65 0.00 0.00 0.00 0.00 173.10 174.21 1azi h ALA 125 N -0.71 1.83 -0.16 3.20 0.00 -2.00 0.60 119.26 122.03 1azi h ALA 125 Ca -0.45 0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1azi h ALA 125 Cb 1.31 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1azi h ALA 125 CO 0.62 -0.60 -0.56 0.38 0.00 0.00 0.00 179.25 179.09 1azi h ASP 126 N 0.26 0.76 -0.30 0.00 2.03 -1.98 -1.74 116.42 115.45 1azi h ASP 126 Ca 0.71 -0.61 -0.04 0.00 -0.73 0.00 0.00 57.03 56.36 1azi h ASP 126 Cb 1.63 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.89 1azi h ASP 126 CO -0.65 1.24 0.02 0.00 -1.03 0.00 0.00 179.24 178.83 1azi h ALA 127 N 0.54 0.40 -0.81 4.15 0.00 -1.46 0.77 119.26 122.84 1azi h ALA 127 Ca -0.03 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1azi h ALA 127 Cb 1.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1azi h ALA 127 CO 0.12 0.12 0.54 0.37 0.00 0.00 0.00 179.25 180.40 1azi h GLN 128 N 0.32 1.02 0.00 0.00 4.15 0.06 0.14 115.11 120.80 1azi h GLN 128 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1azi h GLN 128 Cb 0.39 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1azi h GLN 128 CO 0.01 0.67 0.00 0.41 -1.93 0.00 0.00 178.83 177.99 1azi n GLY 129 N -1.41 -2.88 0.36 2.39 0.00 -0.65 -1.55 105.19 101.44 1azi n GLY 129 Ca 0.10 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1azi n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1azi h ALA 130 N -1.92 1.84 -0.21 4.61 0.00 -0.82 -0.48 119.26 122.27 1azi h ALA 130 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1azi h ALA 130 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1azi h ALA 130 CO 0.00 -0.00 -0.00 1.98 0.00 0.00 0.00 179.25 181.23 1azi h MET 131 N 0.63 0.38 -0.20 0.00 1.85 -0.71 -1.74 114.93 115.14 1azi h MET 131 Ca 0.34 -0.12 0.02 0.00 -0.61 0.00 0.00 59.70 59.33 1azi h MET 131 Cb 0.49 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 1azi h MET 131 CO -0.12 0.57 0.05 1.15 -0.40 0.00 0.00 176.91 178.16 1azi h THR 132 N 0.14 0.92 0.00 -0.77 2.02 -0.19 -0.58 112.91 114.45 1azi h THR 132 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1azi h THR 132 Cb 0.40 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1azi h THR 132 CO 0.01 0.02 0.00 0.11 0.37 0.00 0.00 175.52 176.03 1azi h LYS 133 N 0.13 0.00 0.08 6.66 1.57 -0.99 0.30 116.57 124.32 1azi h LYS 133 Ca 0.09 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.52 1azi h LYS 133 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1azi h LYS 133 CO -0.11 0.00 -1.97 0.00 -0.57 0.00 0.00 179.45 176.80 1azi n ALA 134 N -1.84 1.08 0.16 3.86 0.00 -0.51 -2.70 120.51 120.57 1azi n ALA 134 Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.76 1azi n ALA 134 Cb 0.10 -0.67 0.30 0.00 0.00 0.00 0.00 19.45 19.18 1azi n ALA 134 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1azi h LEU 135 N 0.05 0.03 -0.01 0.00 3.38 -0.58 -1.73 115.31 116.44 1azi h LEU 135 Ca -0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1azi h LEU 135 Cb 2.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 1azi h LEU 135 CO 0.07 0.46 -0.00 -0.33 0.09 0.00 0.00 178.44 178.73 1azi h GLU 136 N 0.03 0.03 -0.53 1.13 4.39 -0.46 -1.54 114.58 117.62 1azi h GLU 136 Ca -0.00 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.80 1azi h GLU 136 Cb 0.77 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.33 1azi h GLU 136 CO 0.06 0.38 -0.08 1.25 -1.16 0.00 0.00 179.01 179.45 1azi h LEU 137 N -0.33 -0.39 0.20 1.33 5.85 -1.35 0.36 115.31 120.98 1azi h LEU 137 Ca 0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1azi h LEU 137 Cb 0.37 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1azi h LEU 137 CO 0.00 -0.14 -0.31 0.15 -0.34 0.00 0.00 178.44 177.80 1azi h PHE 138 N 0.04 -0.83 -0.75 1.25 3.57 -1.28 -1.93 116.94 117.00 1azi h PHE 138 Ca 0.26 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1azi h PHE 138 Cb 0.40 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1azi h PHE 138 CO -0.40 -0.43 0.50 -0.09 -2.23 0.00 0.00 178.31 175.66 1azi h ARG 139 N -0.58 0.88 -0.02 1.11 2.43 -0.10 -2.58 114.38 115.51 1azi h ARG 139 Ca 0.01 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 1azi h ARG 139 Cb 0.57 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1azi h ARG 139 CO -0.13 0.58 -0.75 -0.97 -1.51 0.00 0.00 179.97 177.20 1azi h ASN 140 N 0.91 0.21 0.95 -3.80 -1.24 -0.17 -2.87 115.58 109.57 1azi h ASN 140 Ca 0.30 -0.15 -0.13 0.00 0.71 0.00 0.00 56.30 57.03 1azi h ASN 140 Cb 0.07 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1azi h ASN 140 CO -0.09 0.88 -0.62 0.44 -1.29 0.00 0.00 177.43 176.75 1azi h ASP 141 N 0.11 0.00 -0.09 1.15 3.32 -0.98 -2.18 116.42 117.76 1azi h ASP 141 Ca -0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1azi h ASP 141 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1azi h ASP 141 CO 0.11 0.62 -0.21 0.40 -1.72 0.00 0.00 179.24 178.44 1azi h ILE 142 N 0.00 1.40 -0.56 0.35 2.04 -1.54 -2.80 117.51 116.40 1azi h ILE 142 Ca -0.01 -1.52 0.10 0.00 1.00 0.00 0.00 64.86 64.43 1azi h ILE 142 Cb 1.27 2.15 -0.11 0.00 -0.74 0.00 0.00 36.82 39.39 1azi h ILE 142 CO 0.08 0.44 -0.35 0.00 0.00 0.00 0.00 178.15 178.32 1azi h ALA 143 N 0.50 -0.11 -0.43 1.87 0.00 -1.38 0.72 119.26 120.43 1azi h ALA 143 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1azi h ALA 143 Cb 0.81 0.80 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1azi h ALA 143 CO 0.05 -0.71 -0.23 0.00 0.00 0.00 0.00 179.25 178.36 1azi h ALA 144 N 0.90 0.06 0.00 0.00 0.00 -1.41 0.78 119.26 119.59 1azi h ALA 144 Ca 0.22 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1azi h ALA 144 Cb 0.55 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1azi h ALA 144 CO -0.66 -0.59 -0.52 0.87 0.00 0.00 0.00 179.25 178.35 1azi h LYS 145 N -0.14 0.00 0.00 0.00 1.79 -0.90 -2.87 116.57 114.45 1azi h LYS 145 Ca 0.20 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 1azi h LYS 145 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1azi h LYS 145 CO -0.51 0.52 -0.33 1.88 -1.08 0.00 0.00 179.45 179.92 1azi h TYR 146 N 0.00 0.00 0.09 -1.35 -1.99 0.39 -3.08 116.97 111.03 1azi h TYR 146 Ca -0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1azi h TYR 146 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 1azi h TYR 146 CO 0.00 0.33 -0.04 -0.22 -0.00 0.00 0.00 178.16 178.23 1azi h LYS 147 N 0.00 -0.12 -0.99 4.88 3.64 0.51 -2.05 116.57 122.45 1azi h LYS 147 Ca -0.00 0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.67 1azi h LYS 147 Cb 0.97 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1azi h LYS 147 CO 0.04 0.36 0.97 0.93 -2.27 0.00 0.00 179.45 179.48 1azi h GLU 148 N -0.66 0.00 -0.20 1.90 5.08 -1.44 0.11 114.58 119.38 1azi h GLU 148 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1azi h GLU 148 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1azi h GLU 148 CO 0.02 0.00 0.00 -0.11 -1.00 0.00 0.00 179.01 177.92 1azi n LEU 149 N -3.59 2.45 -0.62 1.33 7.94 -1.17 -5.01 117.00 118.34 1azi n LEU 149 Ca 0.22 -1.81 -0.08 0.00 -1.11 0.00 0.00 56.01 53.23 1azi n LEU 149 Cb 1.29 -0.13 -0.03 0.00 0.53 0.00 0.00 43.42 45.07 1azi n LEU 149 CO 0.29 0.60 -0.08 0.61 -1.11 0.00 0.00 177.39 177.71 1azi n GLY 150 N 0.25 0.92 3.56 -3.96 0.00 0.39 -4.90 105.19 101.46 1azi n GLY 150 Ca 0.07 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1azi n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1azi s PHE 151 N -2.05 2.12 -0.36 1.61 5.36 -0.78 -4.53 117.98 119.35 1azi s PHE 151 Ca 0.00 -0.02 0.23 0.00 -0.96 0.00 0.00 56.93 56.18 1azi s PHE 151 Cb 0.00 -4.31 0.07 0.00 -0.34 0.00 0.00 43.02 38.44 1azi s PHE 151 CO 0.00 -1.78 1.08 0.00 -1.46 0.00 0.00 175.22 173.07 1azi n GLN 152 N 8.80 0.50 0.00 10.12 -0.00 -1.26 -4.68 117.38 130.86 1azi n GLN 152 Ca 0.38 0.09 0.06 0.00 -0.00 0.00 0.00 57.00 57.54 1azi n GLN 152 Cb 0.48 -1.76 0.05 0.00 -0.00 0.00 0.00 30.24 29.01 1azi n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47