#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fol n ASP 6 N 0.00 1.29 -3.74 7.72 8.00 0.60 -4.98 116.55 125.44 2fol n ASP 6 Ca 0.00 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 2fol n ASP 6 Cb 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 2fol n ASP 6 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2fol s TYR 7 N -2.54 -0.03 -0.22 1.24 1.51 -1.20 -5.05 117.35 111.06 2fol s TYR 7 Ca -0.18 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2fol s TYR 7 Cb 0.07 0.13 0.04 0.00 -0.11 0.00 0.00 41.96 42.09 2fol s TYR 7 CO 0.76 -0.65 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.24 2fol s LEU 8 N -2.84 2.67 -0.20 -1.29 2.96 -1.26 -1.93 118.68 116.79 2fol s LEU 8 Ca 0.05 -1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 52.91 2fol s LEU 8 Cb 0.03 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 2fol s LEU 8 CO -0.11 -0.11 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.43 2fol s PHE 9 N 1.25 3.00 -0.44 5.38 2.99 0.24 -4.99 117.98 125.42 2fol s PHE 9 Ca -0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 56.93 56.20 2fol s PHE 9 Cb -0.17 -2.06 0.06 0.00 0.00 0.00 0.00 43.02 40.85 2fol s PHE 9 CO -0.09 -0.30 0.33 0.21 -0.00 0.00 0.00 175.22 175.38 2fol s LYS 10 N 1.03 2.89 0.28 0.44 2.20 -1.26 -0.78 119.74 124.54 2fol s LYS 10 Ca 0.01 -1.28 0.08 0.00 -0.36 0.00 0.00 55.97 54.42 2fol s LYS 10 Cb -0.14 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2fol s LYS 10 CO 0.01 -0.93 0.18 -0.51 -0.36 0.00 0.00 175.35 173.74 2fol s LEU 11 N 1.60 3.60 -0.16 5.43 1.02 0.45 -0.26 118.68 130.35 2fol s LEU 11 Ca 0.04 -0.43 -0.07 0.00 0.02 0.00 0.00 54.13 53.68 2fol s LEU 11 Cb -0.23 -2.14 0.07 0.00 0.02 0.00 0.00 46.19 43.91 2fol s LEU 11 CO 0.06 -0.14 0.36 -0.22 0.02 0.00 0.00 176.35 176.44 2fol s LEU 12 N -3.85 -0.23 -0.30 1.79 2.96 -1.04 -2.09 118.68 115.91 2fol s LEU 12 Ca 0.35 0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 54.93 2fol s LEU 12 Cb -0.07 1.15 -0.03 0.00 0.50 0.00 0.00 46.19 47.75 2fol s LEU 12 CO 0.24 -0.21 0.37 -0.76 -1.32 0.00 0.00 176.35 174.67 2fol s LEU 13 N 1.93 4.19 0.35 -0.68 1.43 -0.94 0.39 118.68 125.36 2fol s LEU 13 Ca -0.05 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 2fol s LEU 13 Cb -0.10 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2fol s LEU 13 CO -0.11 -0.25 0.25 -0.63 0.23 0.00 0.00 176.35 175.84 2fol s ILE 14 N 2.07 3.20 0.00 -0.59 1.01 0.59 -4.68 121.20 122.79 2fol s ILE 14 Ca 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.31 2fol s ILE 14 Cb -0.16 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2fol s ILE 14 CO 0.11 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2fol n GLY 15 N -1.33 3.52 3.71 6.18 0.00 -1.26 -1.12 105.19 114.90 2fol n GLY 15 Ca -0.01 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 2fol n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fol s ASP 16 N 0.00 3.74 0.45 1.61 1.11 -1.26 -4.99 116.67 117.34 2fol s ASP 16 Ca 0.00 2.16 -0.24 0.00 0.18 0.00 0.00 52.55 54.65 2fol s ASP 16 Cb 0.00 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.35 2fol s ASP 16 CO 0.00 -2.56 1.26 -0.44 1.18 0.00 0.00 175.17 174.62 2fol s SER 17 N -2.61 6.08 0.00 0.27 0.01 -1.26 -3.30 113.70 112.89 2fol s SER 17 Ca 0.68 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.49 2fol s SER 17 Cb -0.23 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.37 2fol s SER 17 CO 0.53 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2fol n GLY 18 N 0.61 0.61 0.09 3.44 0.00 -1.26 -4.92 105.19 103.76 2fol n GLY 18 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2fol n GLY 18 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2fol h VAL 19 N 0.00 0.92 0.00 1.61 -1.51 -1.92 -3.49 116.25 111.86 2fol h VAL 19 Ca 0.00 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 62.92 2fol h VAL 19 Cb 0.00 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2fol h VAL 19 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 177.57 177.48 2fol n GLY 20 N 1.40 1.57 0.20 5.19 0.00 -1.26 -4.66 105.19 107.63 2fol n GLY 20 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2fol n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fol h LYS 21 N 0.00 0.63 -0.33 1.61 1.57 -1.94 0.15 116.57 118.26 2fol h LYS 21 Ca 0.00 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2fol h LYS 21 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2fol h LYS 21 CO 0.00 0.45 -0.10 0.77 -0.57 0.00 0.00 179.45 179.99 2fol h SER 22 N 0.62 0.55 -0.12 0.86 0.02 -1.98 -1.25 113.55 112.26 2fol h SER 22 Ca 0.17 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2fol h SER 22 Cb -0.02 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2fol h SER 22 CO -0.03 0.69 -0.01 0.00 -1.14 0.00 0.00 176.83 176.34 2fol h LEU 24 N -0.06 -0.86 -0.82 0.00 3.38 -0.54 0.91 115.31 117.31 2fol h LEU 24 Ca 0.03 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2fol h LEU 24 Cb 0.39 0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2fol h LEU 24 CO 0.01 -0.51 0.40 0.25 0.09 0.00 0.00 178.44 178.68 2fol h LEU 25 N -0.79 0.47 -0.13 1.67 5.85 -1.30 0.22 115.31 121.29 2fol h LEU 25 Ca -0.05 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 2fol h LEU 25 Cb 0.66 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2fol h LEU 25 CO 0.02 0.20 -0.99 -0.07 -0.34 0.00 0.00 178.44 177.26 2fol h LEU 26 N 0.58 0.42 0.40 2.25 3.38 -1.11 -0.67 115.31 120.56 2fol h LEU 26 Ca 0.45 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2fol h LEU 26 Cb 0.63 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2fol h LEU 26 CO -0.37 1.19 -0.21 -0.09 0.09 0.00 0.00 178.44 179.06 2fol h ARG 27 N 0.15 -0.54 -0.26 1.13 9.65 -0.38 0.38 114.38 124.53 2fol h ARG 27 Ca -0.08 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2fol h ARG 27 Cb 1.65 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.34 2fol h ARG 27 CO 0.16 -0.36 0.10 0.35 2.80 0.00 0.00 179.97 183.03 2fol h PHE 28 N -0.56 0.39 -0.06 2.20 3.57 -0.56 0.20 116.94 122.12 2fol h PHE 28 Ca -0.05 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2fol h PHE 28 Cb 0.44 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2fol h PHE 28 CO -0.06 0.40 -0.26 0.00 -2.23 0.00 0.00 178.31 176.15 2fol h ALA 29 N 0.95 0.12 0.00 2.41 0.00 -1.15 -3.41 119.26 118.18 2fol h ALA 29 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2fol h ALA 29 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2fol h ALA 29 CO -0.01 0.13 -0.76 -0.25 0.00 0.00 0.00 179.25 178.36 2fol n ASP 30 N -4.48 2.12 -2.18 0.00 10.43 0.13 -5.00 116.55 117.56 2fol n ASP 30 Ca -0.08 -0.29 -0.15 0.00 2.57 0.00 0.00 54.79 56.83 2fol n ASP 30 Cb 0.47 1.12 0.03 0.00 1.84 0.00 0.00 41.12 44.58 2fol n ASP 30 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2fol n ASP 31 N -1.41 -4.66 -4.70 -2.24 2.03 0.71 -4.97 116.55 101.30 2fol n ASP 31 Ca -0.00 -0.23 -0.24 0.00 0.52 0.00 0.00 54.79 54.84 2fol n ASP 31 Cb 0.11 -3.46 -0.07 0.00 -0.72 0.00 0.00 41.12 36.97 2fol n ASP 31 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2fol s THR 32 N -3.02 2.60 -0.29 5.18 -4.23 -1.20 -4.96 115.64 109.73 2fol s THR 32 Ca 0.24 -1.78 -0.24 0.00 -1.18 0.00 0.00 61.69 58.73 2fol s THR 32 Cb -0.11 -2.93 0.14 0.00 1.34 0.00 0.00 72.50 70.94 2fol s THR 32 CO 0.30 -0.11 1.11 -0.47 -0.54 0.00 0.00 174.62 174.91 2fol s TYR 33 N -2.53 -0.40 -0.14 3.99 5.04 -1.26 -3.31 117.35 118.73 2fol s TYR 33 Ca 0.38 0.95 -0.10 0.00 -2.44 0.00 0.00 57.07 55.85 2fol s TYR 33 Cb 0.01 0.38 0.05 0.00 0.35 0.00 0.00 41.96 42.74 2fol s TYR 33 CO 0.22 -0.19 0.37 -0.08 -1.34 0.00 0.00 175.55 174.52 2fol s THR 34 N 0.31 -0.01 0.61 4.34 -1.32 -1.26 -5.02 115.64 113.29 2fol s THR 34 Ca 0.03 0.05 0.39 0.00 -1.21 0.00 0.00 61.69 60.95 2fol s THR 34 Cb -0.05 -0.53 0.41 0.00 -1.51 0.00 0.00 72.50 70.82 2fol s THR 34 CO -0.09 0.02 2.31 -0.33 -2.21 0.00 0.00 174.62 174.32 2fol h GLU 35 N 6.34 0.00 -6.71 7.08 4.39 -2.03 -3.44 114.58 120.20 2fol h GLU 35 Ca -0.32 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.80 2fol h GLU 35 Cb 1.18 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.96 2fol h GLU 35 CO 0.30 0.01 0.29 0.45 -1.16 0.00 0.00 179.01 178.89 2fol n SER 36 N -3.35 1.75 -4.67 1.42 2.88 -1.26 -4.89 113.62 105.51 2fol n SER 36 Ca -0.03 1.07 -0.43 0.00 -1.33 0.00 0.00 58.87 58.15 2fol n SER 36 Cb 0.09 -1.41 -0.02 0.00 -0.75 0.00 0.00 64.21 62.12 2fol n SER 36 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2fol s TYR 37 N -1.24 2.62 -0.44 0.66 5.04 -1.26 -4.99 117.35 117.74 2fol s TYR 37 Ca 0.62 0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 55.84 2fol s TYR 37 Cb -0.54 -3.64 0.03 0.00 0.35 0.00 0.00 41.96 38.16 2fol s TYR 37 CO 0.57 -2.40 0.43 0.42 -1.34 0.00 0.00 175.55 173.24 2fol s ILE 38 N 3.43 5.11 0.09 3.14 -1.09 -1.26 -4.92 121.20 125.70 2fol s ILE 38 Ca 0.61 -0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 58.34 2fol s ILE 38 Cb -0.26 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 2fol s ILE 38 CO 0.21 -0.48 1.48 -1.28 -1.23 0.00 0.00 174.94 173.65 2fol h SER 39 N 8.75 0.58 -4.79 3.58 0.87 -2.05 -3.48 113.55 117.01 2fol h SER 39 Ca -0.27 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 59.90 2fol h SER 39 Cb 1.11 -0.16 -0.19 0.00 -0.44 0.00 0.00 62.40 62.72 2fol h SER 39 CO 0.82 0.82 0.29 0.28 -0.53 0.00 0.00 176.83 178.50 2fol s THR 40 N -4.73 0.00 -2.00 2.23 -1.32 -1.26 -5.05 115.64 103.51 2fol s THR 40 Ca -0.13 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.39 2fol s THR 40 Cb 0.08 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.19 2fol s THR 40 CO 0.78 0.00 1.12 2.30 -2.21 0.00 0.00 174.62 176.61 2fol n ILE 41 N 0.67 0.00 -0.39 5.08 -5.35 -1.26 -4.92 119.36 113.19 2fol n ILE 41 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2fol n ILE 41 Cb 0.58 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 2fol n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fol n GLY 42 N 0.52 1.28 3.09 3.28 0.00 -1.26 -4.92 105.19 107.18 2fol n GLY 42 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2fol n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fol s VAL 43 N -2.56 0.06 0.46 1.61 -7.23 -1.26 -5.05 120.40 106.43 2fol s VAL 43 Ca 0.00 -0.46 0.16 0.00 -1.81 0.00 0.00 61.98 59.86 2fol s VAL 43 Cb 0.00 -0.37 0.33 0.00 0.56 0.00 0.00 36.38 36.89 2fol s VAL 43 CO 0.00 -0.26 2.01 0.44 -0.31 0.00 0.00 175.10 176.99 2fol h ASP 44 N 4.79 0.26 -5.44 4.85 3.32 -1.98 -3.46 116.42 118.76 2fol h ASP 44 Ca -0.29 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.97 2fol h ASP 44 Cb 1.19 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 2fol h ASP 44 CO 0.40 0.16 0.58 0.72 -1.72 0.00 0.00 179.24 179.39 2fol s PHE 45 N -5.29 -0.05 0.10 4.55 -0.12 -1.26 -4.68 117.98 111.22 2fol s PHE 45 Ca -0.07 -0.25 0.10 0.00 -0.05 0.00 0.00 56.93 56.66 2fol s PHE 45 Cb 0.19 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 43.19 2fol s PHE 45 CO 0.73 -0.75 -0.25 0.15 -0.05 0.00 0.00 175.22 175.05 2fol s LYS 46 N -2.79 1.64 -0.09 1.99 -0.14 -0.55 -4.96 119.74 114.83 2fol s LYS 46 Ca 0.16 -1.22 0.02 0.00 -1.36 0.00 0.00 55.97 53.57 2fol s LYS 46 Cb -0.01 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 34.14 2fol s LYS 46 CO 0.02 0.48 -0.16 0.42 -0.76 0.00 0.00 175.35 175.35 2fol s ILE 47 N -0.99 2.82 -0.11 2.17 1.01 -1.26 -0.60 121.20 124.23 2fol s ILE 47 Ca 0.14 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 2fol s ILE 47 Cb -0.10 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.28 2fol s ILE 47 CO 0.05 0.56 0.29 -0.60 0.00 0.00 0.00 174.94 175.24 2fol s ARG 48 N -0.10 0.32 -0.00 2.79 3.52 -0.56 -4.96 118.95 119.95 2fol s ARG 48 Ca -0.03 0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 55.99 2fol s ARG 48 Cb -0.14 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2fol s ARG 48 CO 0.04 -0.08 0.21 0.99 -0.81 0.00 0.00 175.30 175.66 2fol s THR 49 N 0.49 5.39 0.05 4.11 2.01 -1.26 0.29 115.64 126.72 2fol s THR 49 Ca -0.03 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 2fol s THR 49 Cb -0.04 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 2fol s THR 49 CO -0.03 0.34 0.06 0.27 -0.69 0.00 0.00 174.62 174.57 2fol s ILE 50 N -1.32 0.17 0.06 1.82 -4.36 -0.84 -4.99 121.20 111.74 2fol s ILE 50 Ca 0.27 -1.39 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2fol s ILE 50 Cb -0.13 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 2fol s ILE 50 CO 0.18 -0.77 0.07 -1.61 0.24 0.00 0.00 174.94 173.05 2fol s GLU 51 N -3.34 2.89 -0.30 0.37 0.41 -1.26 -1.01 118.70 116.46 2fol s GLU 51 Ca 0.01 -0.66 -0.11 0.00 -0.41 0.00 0.00 54.97 53.80 2fol s GLU 51 Cb 0.03 -2.73 0.15 0.00 -1.78 0.00 0.00 34.13 29.80 2fol s GLU 51 CO -0.08 0.58 0.78 -1.17 -0.49 0.00 0.00 175.26 174.89 2fol s LEU 52 N -2.23 -0.94 -1.39 1.80 2.96 0.18 -4.92 118.68 114.14 2fol s LEU 52 Ca 0.28 1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 55.26 2fol s LEU 52 Cb -0.12 2.03 0.08 0.00 0.50 0.00 0.00 46.19 48.67 2fol s LEU 52 CO 0.20 -0.18 0.61 0.47 -1.32 0.00 0.00 176.35 176.13 2fol n ASP 53 N 5.28 -4.08 0.00 3.68 9.92 -1.26 0.62 116.55 130.71 2fol n ASP 53 Ca -0.10 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 2fol n ASP 53 Cb 0.51 -3.34 0.00 0.00 -0.64 0.00 0.00 41.12 37.65 2fol n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2fol n GLY 54 N -1.31 0.93 3.54 0.44 0.00 -1.26 -5.03 105.19 102.50 2fol n GLY 54 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2fol n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fol s LYS 55 N -0.42 3.69 -0.04 1.61 -0.14 0.20 -5.08 119.74 119.58 2fol s LYS 55 Ca 0.00 -0.47 -0.24 0.00 -1.36 0.00 0.00 55.97 53.90 2fol s LYS 55 Cb 0.00 -2.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.14 2fol s LYS 55 CO 0.00 0.29 0.74 0.99 -0.76 0.00 0.00 175.35 176.61 2fol s THR 56 N 0.26 4.97 -0.07 2.17 2.01 -1.26 0.52 115.64 124.24 2fol s THR 56 Ca -0.01 1.54 -0.02 0.00 0.31 0.00 0.00 61.69 63.51 2fol s THR 56 Cb -0.14 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.32 2fol s THR 56 CO 0.02 0.27 0.02 -0.63 -0.69 0.00 0.00 174.62 173.61 2fol s ILE 57 N 0.65 0.22 0.27 1.82 1.01 -0.18 -0.29 121.20 124.69 2fol s ILE 57 Ca 0.39 0.20 -0.25 0.00 0.00 0.00 0.00 60.65 61.00 2fol s ILE 57 Cb -0.19 -0.42 -0.09 0.00 0.01 0.00 0.00 42.46 41.77 2fol s ILE 57 CO 0.20 0.22 0.86 -0.75 0.00 0.00 0.00 174.94 175.47 2fol s LYS 58 N 2.03 4.52 0.02 2.79 2.20 -0.81 -1.98 119.74 128.51 2fol s LYS 58 Ca 0.05 1.19 0.09 0.00 -0.36 0.00 0.00 55.97 56.94 2fol s LYS 58 Cb -0.12 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2fol s LYS 58 CO -0.05 0.37 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.55 2fol s LEU 59 N -1.84 2.17 -0.20 5.43 1.43 0.15 -0.59 118.68 125.23 2fol s LEU 59 Ca 0.45 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2fol s LEU 59 Cb -0.19 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.75 2fol s LEU 59 CO 0.24 0.28 -0.10 -1.58 0.23 0.00 0.00 176.35 175.43 2fol s GLN 60 N -1.02 1.97 -0.10 1.70 0.74 0.04 -1.49 119.66 121.49 2fol s GLN 60 Ca 0.11 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 54.71 2fol s GLN 60 Cb -0.10 -2.41 -0.01 0.00 1.10 0.00 0.00 33.01 31.59 2fol s GLN 60 CO 0.01 -0.44 -0.20 0.42 -0.55 0.00 0.00 175.29 174.53 2fol s ILE 61 N 1.41 2.40 0.23 -2.34 1.01 0.23 -0.41 121.20 123.72 2fol s ILE 61 Ca -0.02 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.80 2fol s ILE 61 Cb -0.16 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2fol s ILE 61 CO -0.08 0.55 0.15 0.26 0.00 0.00 0.00 174.94 175.82 2fol s TRP 62 N 0.27 3.07 -0.36 3.97 0.51 -0.89 -1.49 118.94 124.02 2fol s TRP 62 Ca -0.14 -0.10 0.13 0.00 -2.12 0.00 0.00 56.10 53.87 2fol s TRP 62 Cb -0.17 -1.41 0.42 0.00 -0.81 0.00 0.00 33.47 31.51 2fol s TRP 62 CO 0.07 0.53 1.20 -3.47 -0.51 0.00 0.00 176.95 174.77 2fol n ASP 63 N -0.87 -0.38 0.09 2.95 2.03 -1.26 -2.21 116.55 116.90 2fol n ASP 63 Ca -0.08 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.71 2fol n ASP 63 Cb 0.57 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 2fol n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2fol n TYR 78 N -0.44 -2.61 0.17 -0.67 4.01 -1.26 -4.96 117.16 111.40 2fol n TYR 78 Ca 0.01 0.54 0.04 0.00 -0.16 0.00 0.00 57.90 58.33 2fol n TYR 78 Cb 0.84 1.51 0.27 0.00 -0.31 0.00 0.00 39.34 41.65 2fol n TYR 78 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2fol h ARG 79 N 0.00 0.00 -0.63 -0.72 2.43 -1.93 -3.17 114.38 110.36 2fol h ARG 79 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2fol h ARG 79 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2fol h ARG 79 CO 0.00 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.30 2fol n GLY 80 N 0.38 2.16 3.79 2.80 0.00 -1.26 -4.01 105.19 109.05 2fol n GLY 80 Ca -0.00 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2fol n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fol s ALA 81 N -1.17 3.49 0.00 4.61 0.00 -1.20 -4.77 121.76 122.72 2fol s ALA 81 Ca 0.45 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 2fol s ALA 81 Cb 0.24 -2.85 -0.31 0.00 0.00 0.00 0.00 23.12 20.20 2fol s ALA 81 CO 0.32 0.33 0.88 0.45 0.00 0.00 0.00 175.76 177.74 2fol h HIS 82 N 4.26 0.69 -3.24 0.00 3.86 -0.98 -3.44 115.15 116.30 2fol h HIS 82 Ca -0.48 -0.50 -0.14 0.00 -1.16 0.00 0.00 60.37 58.09 2fol h HIS 82 Cb 1.21 -0.03 -0.22 0.00 1.06 0.00 0.00 27.41 29.43 2fol h HIS 82 CO 0.65 1.51 -0.40 0.20 0.86 0.00 0.00 177.93 180.75 2fol s GLY 83 N -4.87 -0.09 -0.02 2.45 0.00 -1.23 -0.81 107.32 102.75 2fol s GLY 83 Ca -0.10 0.26 0.08 0.00 0.00 0.00 0.00 44.72 44.95 2fol s GLY 83 CO 0.88 0.11 -0.25 -0.42 0.00 0.00 0.00 173.10 173.43 2fol s ILE 84 N -0.93 1.97 -0.18 0.90 1.01 0.11 -2.51 121.20 121.56 2fol s ILE 84 Ca -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.45 2fol s ILE 84 Cb -0.05 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 2fol s ILE 84 CO 0.02 0.56 -0.05 -0.63 0.00 0.00 0.00 174.94 174.84 2fol s ILE 85 N -0.58 3.60 -0.41 2.92 1.01 0.16 -2.55 121.20 125.35 2fol s ILE 85 Ca 0.09 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 2fol s ILE 85 Cb -0.10 -2.60 0.07 0.00 0.01 0.00 0.00 42.46 39.84 2fol s ILE 85 CO -0.01 0.46 0.25 -0.69 0.00 0.00 0.00 174.94 174.95 2fol s VAL 86 N 0.87 4.30 0.16 2.92 1.01 -0.07 -0.30 120.40 129.29 2fol s VAL 86 Ca -0.01 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 2fol s VAL 86 Cb -0.15 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2fol s VAL 86 CO 0.01 -0.45 0.44 -0.69 0.00 0.00 0.00 175.10 174.41 2fol s VAL 87 N 1.45 5.08 0.34 2.92 1.01 -0.27 -1.44 120.40 129.49 2fol s VAL 87 Ca 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 2fol s VAL 87 Cb -0.22 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2fol s VAL 87 CO 0.03 0.03 0.45 -0.72 0.00 0.00 0.00 175.10 174.89 2fol s TYR 88 N -1.68 1.16 -0.14 5.22 -0.85 0.84 -4.19 117.35 117.71 2fol s TYR 88 Ca 0.42 -1.35 0.02 0.00 -0.52 0.00 0.00 57.07 55.64 2fol s TYR 88 Cb -0.12 -0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.07 2fol s TYR 88 CO 0.23 -1.10 -0.18 0.34 -1.52 0.00 0.00 175.55 173.31 2fol s ASP 89 N -3.26 2.87 0.63 -0.18 -1.08 -1.26 0.07 116.67 114.46 2fol s ASP 89 Ca 0.32 -0.55 0.38 0.00 -0.52 0.00 0.00 52.55 52.18 2fol s ASP 89 Cb -0.00 -1.32 2.13 0.00 -1.46 0.00 0.00 42.92 42.28 2fol s ASP 89 CO 0.21 0.02 2.31 -0.37 0.52 0.00 0.00 175.17 177.86 2fol h VAL 90 N 5.93 0.22 -0.01 1.11 -1.51 -1.70 -0.63 116.25 119.67 2fol h VAL 90 Ca -0.36 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2fol h VAL 90 Cb 1.17 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2fol h VAL 90 CO 0.55 0.01 -0.38 0.35 -1.23 0.00 0.00 177.57 176.86 2fol n THR 91 N -3.39 0.00 -3.92 7.19 -2.24 -1.26 -0.51 114.28 110.14 2fol n THR 91 Ca -0.03 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 2fol n THR 91 Cb 0.09 0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 2fol n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fol s ASP 92 N -2.56 4.27 0.39 3.42 -1.08 -0.24 -4.70 116.67 116.18 2fol s ASP 92 Ca 0.21 -1.68 0.18 0.00 -0.52 0.00 0.00 52.55 50.74 2fol s ASP 92 Cb 0.19 -1.28 0.81 0.00 -1.46 0.00 0.00 42.92 41.18 2fol s ASP 92 CO 0.57 -0.34 1.81 -0.61 0.52 0.00 0.00 175.17 177.12 2fol h GLN 93 N 7.85 0.00 0.00 4.34 5.75 -1.85 -2.85 115.11 128.35 2fol h GLN 93 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 2fol h GLN 93 Cb 1.04 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 2fol h GLN 93 CO 0.47 0.34 -0.02 1.49 -2.65 0.00 0.00 178.83 178.46 2fol h GLU 94 N 0.00 -0.04 -0.01 1.69 4.57 -1.93 -2.15 114.58 116.71 2fol h GLU 94 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2fol h GLU 94 Cb 0.74 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2fol h GLU 94 CO 0.04 -0.03 -0.11 0.66 -1.18 0.00 0.00 179.01 178.40 2fol h SER 95 N -0.04 0.02 -0.13 1.04 4.64 -1.84 -2.55 113.55 114.69 2fol h SER 95 Ca 0.01 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2fol h SER 95 Cb 0.05 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2fol h SER 95 CO -0.02 0.13 -0.16 0.15 -0.87 0.00 0.00 176.83 176.05 2fol h PHE 96 N 0.02 0.42 -0.90 4.77 3.57 -1.37 -3.08 116.94 120.37 2fol h PHE 96 Ca 0.00 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.43 2fol h PHE 96 Cb 0.20 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 2fol h PHE 96 CO 0.00 0.77 0.56 -0.91 -2.23 0.00 0.00 178.31 176.50 2fol h ASN 97 N -0.05 0.90 0.26 0.41 2.35 -1.19 -2.05 115.58 116.20 2fol h ASN 97 Ca 0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2fol h ASN 97 Cb 0.71 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2fol h ASN 97 CO 0.04 0.58 0.00 0.59 -1.65 0.00 0.00 177.43 176.99 2fol n ASN 98 N -4.58 0.00 -0.32 5.81 3.02 -0.98 -2.08 115.26 116.12 2fol n ASN 98 Ca 0.13 0.47 0.07 0.00 -0.03 0.00 0.00 54.58 55.22 2fol n ASN 98 Cb 0.17 -0.48 0.27 0.00 -0.61 0.00 0.00 39.78 39.13 2fol n ASN 98 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2fol h VAL 99 N 0.00 0.96 -0.72 2.41 2.07 -1.34 -1.80 116.25 117.84 2fol h VAL 99 Ca 0.00 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.35 2fol h VAL 99 Cb 0.13 -0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 29.71 2fol h VAL 99 CO 0.00 0.17 0.09 0.50 0.02 0.00 0.00 177.57 178.35 2fol h LYS 100 N 0.95 0.17 -0.24 1.57 3.64 -1.62 -1.08 116.57 119.96 2fol h LYS 100 Ca 0.44 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.74 2fol h LYS 100 Cb 0.42 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2fol h LYS 100 CO -0.21 0.11 -0.13 1.96 -2.27 0.00 0.00 179.45 178.92 2fol h GLN 101 N 0.18 0.52 -0.01 1.90 7.50 -1.56 -3.11 115.11 120.53 2fol h GLN 101 Ca 0.40 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 59.32 2fol h GLN 101 Cb 0.68 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.20 2fol h GLN 101 CO -0.57 0.79 0.03 -1.49 -1.50 0.00 0.00 178.83 176.09 2fol h TRP 102 N 0.24 0.00 0.00 2.96 4.06 -0.69 -0.30 115.95 122.21 2fol h TRP 102 Ca 0.05 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.76 2fol h TRP 102 Cb 0.64 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 2fol h TRP 102 CO 0.06 0.00 -1.38 -0.07 -3.56 0.00 0.00 178.44 173.50 2fol h LEU 103 N 0.00 0.00 -1.03 -4.49 3.38 -1.28 -3.20 115.31 108.70 2fol h LEU 103 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2fol h LEU 103 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2fol h LEU 103 CO -0.00 0.95 -0.38 1.56 0.09 0.00 0.00 178.44 180.66 2fol h GLN 104 N 0.00 0.20 -0.03 1.13 4.20 -1.06 -0.27 115.11 119.28 2fol h GLN 104 Ca -0.16 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 2fol h GLN 104 Cb 1.87 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.64 2fol h GLN 104 CO 0.10 0.56 0.02 0.93 -0.67 0.00 0.00 178.83 179.76 2fol h GLU 105 N 0.17 0.05 -0.87 1.46 4.39 -1.49 -1.54 114.58 116.75 2fol h GLU 105 Ca 0.02 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2fol h GLU 105 Cb 0.75 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 2fol h GLU 105 CO 0.06 0.08 0.56 0.82 -1.16 0.00 0.00 179.01 179.36 2fol h ILE 106 N 0.00 1.15 -0.31 3.13 2.04 -1.44 0.23 117.51 122.31 2fol h ILE 106 Ca 0.01 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2fol h ILE 106 Cb 0.04 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 2fol h ILE 106 CO -0.00 0.20 -0.09 0.44 0.00 0.00 0.00 178.15 178.69 2fol h ASP 107 N 1.09 0.50 0.12 1.72 3.45 -0.89 -2.98 116.42 119.42 2fol h ASP 107 Ca 0.34 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 2fol h ASP 107 Cb -0.00 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2fol h ASP 107 CO -0.11 0.63 -0.06 -0.09 -1.57 0.00 0.00 179.24 178.04 2fol h ARG 108 N 0.48 -0.15 -2.47 3.56 2.43 -0.49 -3.40 114.38 114.34 2fol h ARG 108 Ca 0.09 0.01 -0.71 0.00 -0.81 0.00 0.00 59.98 58.57 2fol h ARG 108 Cb 0.46 0.03 -0.35 0.00 -0.42 0.00 0.00 29.97 29.70 2fol h ARG 108 CO 0.03 0.23 0.15 0.66 -1.51 0.00 0.00 179.97 179.52 2fol n TYR 109 N -4.85 3.07 -3.64 2.20 4.02 0.73 -5.00 117.16 113.69 2fol n TYR 109 Ca -0.06 -3.32 -0.06 0.00 -0.01 0.00 0.00 57.90 54.46 2fol n TYR 109 Cb 0.22 -0.89 -0.07 0.00 -0.02 0.00 0.00 39.34 38.58 2fol n TYR 109 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fol s ALA 110 N -3.04 -2.11 0.06 -0.72 0.00 -1.13 -3.85 121.76 110.97 2fol s ALA 110 Ca 0.38 1.76 -0.26 0.00 0.00 0.00 0.00 51.96 53.85 2fol s ALA 110 Cb 0.14 -1.59 -0.14 0.00 0.00 0.00 0.00 23.12 21.53 2fol s ALA 110 CO -0.01 -0.17 0.62 0.43 0.00 0.00 0.00 175.76 176.63 2fol n SER 111 N 1.74 -0.39 0.29 0.00 7.64 -1.26 -4.76 113.62 116.89 2fol n SER 111 Ca -0.11 0.84 0.14 0.00 1.01 0.00 0.00 58.87 60.76 2fol n SER 111 Cb 0.57 -0.69 0.87 0.00 -1.01 0.00 0.00 64.21 63.95 2fol n SER 111 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2fol h GLU 112 N 1.58 0.00 -0.23 1.43 4.11 -1.94 -1.45 114.58 118.08 2fol h GLU 112 Ca -0.30 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.06 2fol h GLU 112 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2fol h GLU 112 CO 0.45 0.00 -0.06 0.09 0.07 0.00 0.00 179.01 179.57 2fol n ASN 113 N -3.97 2.97 -4.65 3.06 3.02 -1.26 -5.04 115.26 109.39 2fol n ASN 113 Ca -0.03 -3.37 -0.46 0.00 -0.03 0.00 0.00 54.58 50.69 2fol n ASN 113 Cb 0.08 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 2fol n ASN 113 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2fol n VAL 114 N -0.94 0.74 -2.27 2.41 3.14 -0.55 -4.89 118.33 115.96 2fol n VAL 114 Ca 0.25 -0.18 -0.35 0.00 -2.96 0.00 0.00 64.34 61.09 2fol n VAL 114 Cb 0.89 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.34 2fol n VAL 114 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2fol s ASN 115 N 0.34 5.75 0.01 6.55 -0.87 0.01 -4.83 114.94 121.90 2fol s ASN 115 Ca 0.72 2.17 0.03 0.00 -1.57 0.00 0.00 52.86 54.21 2fol s ASN 115 Cb -0.71 -2.58 -0.01 0.00 -0.02 0.00 0.00 41.25 37.93 2fol s ASN 115 CO 0.48 -1.20 -0.11 -0.54 -2.57 0.00 0.00 177.10 173.17 2fol s LYS 116 N -3.28 0.79 -0.01 -0.60 1.02 -1.26 0.08 119.74 116.48 2fol s LYS 116 Ca 0.73 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2fol s LYS 116 Cb -0.24 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2fol s LYS 116 CO 0.27 0.20 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.71 2fol s LEU 117 N -0.62 1.75 -0.19 3.17 2.96 -1.06 -4.16 118.68 120.54 2fol s LEU 117 Ca 0.02 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2fol s LEU 117 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.48 2fol s LEU 117 CO 0.00 -0.02 0.13 -0.22 -1.32 0.00 0.00 176.35 174.92 2fol s LEU 118 N 0.27 4.20 -0.10 -0.68 2.96 -0.60 -0.89 118.68 123.85 2fol s LEU 118 Ca -0.02 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2fol s LEU 118 Cb -0.04 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.58 2fol s LEU 118 CO -0.01 0.21 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 2fol s VAL 119 N 0.20 1.34 -0.71 1.68 1.01 -0.52 -1.69 120.40 121.70 2fol s VAL 119 Ca 0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 2fol s VAL 119 Cb -0.11 -1.24 0.19 0.00 0.00 0.00 0.00 36.38 35.22 2fol s VAL 119 CO -0.01 0.41 0.64 -0.83 0.00 0.00 0.00 175.10 175.31 2fol s GLY 120 N 0.96 2.47 0.90 4.51 0.00 -0.88 -0.11 107.32 115.17 2fol s GLY 120 Ca -0.08 -3.08 -0.12 0.00 0.00 0.00 0.00 44.72 41.45 2fol s GLY 120 CO -0.00 1.22 1.09 0.21 0.00 0.00 0.00 173.10 175.62 2fol s ASN 121 N 2.39 3.44 -0.86 1.64 2.47 0.11 -1.83 114.94 122.31 2fol s ASN 121 Ca 0.13 1.49 -0.05 0.00 0.42 0.00 0.00 52.86 54.85 2fol s ASN 121 Cb -0.17 -2.17 0.01 0.00 -1.45 0.00 0.00 41.25 37.47 2fol s ASN 121 CO -0.05 -2.66 0.62 0.29 -3.72 0.00 0.00 177.10 171.58 2fol n LYS 122 N -3.90 -4.32 0.29 0.43 5.02 0.00 -2.13 118.16 113.55 2fol n LYS 122 Ca 0.07 0.52 0.19 0.00 -2.02 0.00 0.00 58.31 57.07 2fol n LYS 122 Cb 0.55 -4.58 1.00 0.00 -0.02 0.00 0.00 35.03 31.98 2fol n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fol h ASP 124 N 0.00 0.00 -0.64 0.00 2.03 -1.90 -3.33 116.42 112.58 2fol h ASP 124 Ca 0.00 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.59 2fol h ASP 124 Cb 0.08 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.52 2fol h ASP 124 CO 0.00 0.21 2.99 0.18 -1.03 0.00 0.00 179.24 181.59 2fol n LEU 125 N -3.46 8.07 0.25 0.15 4.77 -0.93 -4.73 117.00 121.11 2fol n LEU 125 Ca -0.00 -4.60 0.07 0.00 -0.03 0.00 0.00 56.01 51.45 2fol n LEU 125 Cb 0.39 -1.48 0.60 0.00 -2.33 0.00 0.00 43.42 40.60 2fol n LEU 125 CO 0.33 1.90 1.00 0.71 -1.33 0.00 0.00 177.39 180.00 2fol h THR 126 N 3.01 1.02 0.00 -5.08 1.35 -1.84 0.78 112.91 112.14 2fol h THR 126 Ca 0.72 -0.29 -0.10 0.00 -0.55 0.00 0.00 66.41 66.19 2fol h THR 126 Cb 0.36 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2fol h THR 126 CO 1.65 0.08 -0.50 0.74 -0.25 0.00 0.00 175.52 177.25 2fol h THR 127 N 0.00 1.29 0.00 6.82 2.02 -1.95 -3.06 112.91 118.03 2fol h THR 127 Ca -0.00 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.44 2fol h THR 127 Cb 0.15 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2fol h THR 127 CO 0.01 0.49 -0.89 0.29 0.37 0.00 0.00 175.52 175.79 2fol n LYS 128 N -3.85 0.03 -1.66 6.66 4.01 -0.14 -4.95 118.16 118.25 2fol n LYS 128 Ca -0.01 -0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.36 2fol n LYS 128 Cb 0.53 -1.51 -0.03 0.00 -0.51 0.00 0.00 35.03 33.51 2fol n LYS 128 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2fol s LYS 129 N -3.02 3.81 -0.02 1.97 2.20 0.08 -4.41 119.74 120.35 2fol s LYS 129 Ca 0.08 2.40 0.07 0.00 -0.36 0.00 0.00 55.97 58.17 2fol s LYS 129 Cb 0.16 -4.23 -0.11 0.00 -1.51 0.00 0.00 37.83 32.15 2fol s LYS 129 CO 0.82 -1.33 0.13 1.33 -0.36 0.00 0.00 175.35 175.94 2fol n VAL 130 N 6.27 0.11 -3.03 4.02 0.24 0.33 -4.89 118.33 121.38 2fol n VAL 130 Ca 0.23 -0.19 -0.44 0.00 -2.04 0.00 0.00 64.34 61.89 2fol n VAL 130 Cb 0.42 0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 2fol n VAL 130 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fol s VAL 131 N -2.42 4.74 0.01 3.34 1.01 0.19 -4.98 120.40 122.28 2fol s VAL 131 Ca -0.03 -1.04 -0.35 0.00 0.00 0.00 0.00 61.98 60.56 2fol s VAL 131 Cb 0.04 -4.59 -0.14 0.00 0.00 0.00 0.00 36.38 31.70 2fol s VAL 131 CO 0.30 -1.27 1.69 0.47 0.00 0.00 0.00 175.10 176.28 2fol n ASP 132 N 6.55 2.99 -0.31 3.32 9.92 -1.26 -4.85 116.55 132.90 2fol n ASP 132 Ca -0.01 1.04 0.05 0.00 -0.53 0.00 0.00 54.79 55.34 2fol n ASP 132 Cb 0.45 -1.35 0.13 0.00 -0.64 0.00 0.00 41.12 39.71 2fol n ASP 132 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2fol h TYR 133 N 7.21 -0.41 -0.34 1.24 3.20 -1.98 -1.01 116.97 124.88 2fol h TYR 133 Ca -0.47 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 2fol h TYR 133 Cb 1.28 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 2fol h TYR 133 CO 0.74 -0.37 0.11 1.79 -1.64 0.00 0.00 178.16 178.79 2fol h THR 134 N 0.01 1.15 0.00 1.81 1.35 -1.99 0.17 112.91 115.41 2fol h THR 134 Ca 0.44 -0.49 -0.16 0.00 -0.55 0.00 0.00 66.41 65.65 2fol h THR 134 Cb 0.70 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 2fol h THR 134 CO -0.89 0.18 -1.05 0.71 -0.25 0.00 0.00 175.52 174.22 2fol h THR 135 N 0.49 0.78 -0.15 6.82 1.35 -1.59 -1.45 112.91 119.16 2fol h THR 135 Ca 0.12 -2.27 -0.20 0.00 -0.55 0.00 0.00 66.41 63.51 2fol h THR 135 Cb 0.15 2.29 0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2fol h THR 135 CO -0.01 0.45 -0.69 0.00 -0.25 0.00 0.00 175.52 175.02 2fol h ALA 136 N 1.38 0.28 -0.57 6.62 0.00 -0.87 -2.94 119.26 123.17 2fol h ALA 136 Ca -0.09 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2fol h ALA 136 Cb 1.56 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2fol h ALA 136 CO 0.06 0.60 0.24 -0.22 0.00 0.00 0.00 179.25 179.93 2fol h LYS 137 N 0.43 0.85 -0.32 0.00 1.63 -0.65 -1.28 116.57 117.23 2fol h LYS 137 Ca -0.04 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.58 2fol h LYS 137 Cb 1.32 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2fol h LYS 137 CO 0.14 0.72 0.09 1.49 -3.45 0.00 0.00 179.45 178.44 2fol h GLU 138 N 0.79 0.46 0.44 1.90 4.22 -1.31 -0.36 114.58 120.71 2fol h GLU 138 Ca 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.55 2fol h GLU 138 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2fol h GLU 138 CO -0.02 0.42 -0.21 0.35 -2.18 0.00 0.00 179.01 177.37 2fol h PHE 139 N 0.46 -0.55 -0.76 0.92 3.57 -1.27 -1.45 116.94 117.86 2fol h PHE 139 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 2fol h PHE 139 Cb 0.16 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2fol h PHE 139 CO 0.01 -0.22 0.50 0.00 -2.23 0.00 0.00 178.31 176.37 2fol h ALA 140 N -0.61 1.73 0.17 2.41 0.00 -0.87 -0.96 119.26 121.13 2fol h ALA 140 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2fol h ALA 140 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2fol h ALA 140 CO 0.10 0.13 -0.08 -0.44 0.00 0.00 0.00 179.25 178.95 2fol h ASP 141 N 0.75 -0.20 -1.10 0.00 3.45 -1.12 0.75 116.42 118.96 2fol h ASP 141 Ca 0.34 -0.18 0.30 0.00 0.43 0.00 0.00 57.03 57.92 2fol h ASP 141 Cb 0.36 0.05 -0.09 0.00 -0.56 0.00 0.00 39.33 39.08 2fol h ASP 141 CO -0.12 0.07 0.72 0.77 -1.57 0.00 0.00 179.24 179.11 2fol h SER 142 N -0.47 0.37 0.57 6.45 4.64 -0.08 0.83 113.55 125.85 2fol h SER 142 Ca -0.02 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2fol h SER 142 Cb 0.37 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2fol h SER 142 CO 0.04 0.04 -0.50 0.18 -0.87 0.00 0.00 176.83 175.71 2fol n LEU 143 N -4.59 0.50 0.00 5.97 4.77 -0.58 -4.95 117.00 118.13 2fol n LEU 143 Ca 0.27 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2fol n LEU 143 Cb 1.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2fol n LEU 143 CO 0.26 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2fol n GLY 144 N 1.48 0.44 3.74 -0.72 0.00 0.29 -5.05 105.19 105.37 2fol n GLY 144 Ca 0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2fol n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fol s ILE 145 N -2.00 4.43 0.50 -0.61 1.01 0.23 -4.98 121.20 119.78 2fol s ILE 145 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 2fol s ILE 145 Cb 0.00 -3.07 -0.08 0.00 0.01 0.00 0.00 42.46 39.32 2fol s ILE 145 CO 0.00 0.23 1.05 -2.16 0.00 0.00 0.00 174.94 174.06 2fol s PRO 146 N -2.06 3.69 -0.04 2.79 0.04 -1.26 -4.09 135.00 134.06 2fol s PRO 146 Ca 0.25 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2fol s PRO 146 Cb -0.12 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2fol s PRO 146 CO 0.17 -0.53 -0.01 0.12 0.04 0.00 0.00 177.00 176.80 2fol s PHE 147 N -1.99 0.47 0.01 0.56 5.36 -1.26 -1.55 117.98 119.57 2fol s PHE 147 Ca 0.68 -0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.62 2fol s PHE 147 Cb -0.17 -0.55 -0.01 0.00 -0.34 0.00 0.00 43.02 41.94 2fol s PHE 147 CO 0.23 -0.19 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.19 2fol s LEU 148 N 1.27 2.10 -0.13 6.12 1.02 -0.68 -5.01 118.68 123.38 2fol s LEU 148 Ca -0.06 -0.30 -0.10 0.00 0.02 0.00 0.00 54.13 53.69 2fol s LEU 148 Cb -0.13 -0.40 -0.05 0.00 0.02 0.00 0.00 46.19 45.63 2fol s LEU 148 CO -0.02 0.02 0.19 -1.61 0.02 0.00 0.00 176.35 174.95 2fol s GLU 149 N -0.70 3.78 0.23 1.70 2.02 -1.26 -2.06 118.70 122.41 2fol s GLU 149 Ca -0.00 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.96 2fol s GLU 149 Cb -0.06 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 2fol s GLU 149 CO 0.00 0.59 0.03 0.95 0.02 0.00 0.00 175.26 176.85 2fol s THR 150 N -0.52 0.82 -0.26 3.63 -4.23 -0.76 -4.59 115.64 109.73 2fol s THR 150 Ca 0.15 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2fol s THR 150 Cb -0.12 -2.40 0.10 0.00 1.34 0.00 0.00 72.50 71.41 2fol s THR 150 CO 0.04 -0.25 0.16 -0.55 -0.54 0.00 0.00 174.62 173.48 2fol s SER 151 N -3.29 2.75 0.43 3.99 0.15 -0.39 -0.18 113.70 117.17 2fol s SER 151 Ca 0.31 -0.96 0.11 0.00 0.70 0.00 0.00 55.95 56.10 2fol s SER 151 Cb 0.07 -0.09 0.92 0.00 -1.71 0.00 0.00 66.02 65.21 2fol s SER 151 CO 0.09 -0.40 2.01 0.00 1.20 0.00 0.00 173.24 176.14 2fol h ALA 152 N 8.37 1.68 0.52 5.45 0.00 -1.91 0.19 119.26 133.56 2fol h ALA 152 Ca -0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2fol h ALA 152 Cb 1.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2fol h ALA 152 CO 0.38 0.24 -0.25 -0.22 0.00 0.00 0.00 179.25 179.40 2fol h LYS 153 N 0.24 -0.68 -0.00 0.00 3.64 -1.93 -3.27 116.57 114.58 2fol h LYS 153 Ca 0.06 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2fol h LYS 153 Cb 0.18 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2fol h LYS 153 CO 0.00 -0.37 -0.18 0.09 -2.27 0.00 0.00 179.45 176.72 2fol n ASN 154 N -5.27 0.33 -2.30 4.20 3.02 -1.22 -4.94 115.26 109.08 2fol n ASN 154 Ca -0.10 -0.14 -0.09 0.00 -0.03 0.00 0.00 54.58 54.22 2fol n ASN 154 Cb 0.32 -0.13 0.05 0.00 -0.61 0.00 0.00 39.78 39.41 2fol n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fol n ALA 155 N -1.28 -1.15 -3.40 5.41 0.00 0.46 -5.03 120.51 115.52 2fol n ALA 155 Ca 0.10 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 2fol n ALA 155 Cb 0.31 -1.83 -0.15 0.00 0.00 0.00 0.00 19.45 17.78 2fol n ALA 155 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2fol s THR 156 N -3.19 2.84 0.00 0.00 2.01 -0.08 -4.56 115.64 112.66 2fol s THR 156 Ca 0.04 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2fol s THR 156 Cb -0.01 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2fol s THR 156 CO 0.38 0.50 0.00 0.59 -0.69 0.00 0.00 174.62 175.41 2fol n ASN 157 N 4.07 -0.68 -0.31 3.53 4.13 -1.26 -1.26 115.26 123.49 2fol n ASN 157 Ca -0.19 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.02 2fol n ASN 157 Cb 0.52 -1.93 0.07 0.00 -1.54 0.00 0.00 39.78 36.90 2fol n ASN 157 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2fol h VAL 158 N 0.00 1.26 0.19 2.41 2.07 -1.86 0.88 116.25 121.21 2fol h VAL 158 Ca 0.00 -0.77 -0.33 0.00 0.82 0.00 0.00 66.70 66.43 2fol h VAL 158 Cb 0.09 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2fol h VAL 158 CO 0.00 0.32 -1.53 -0.08 0.02 0.00 0.00 177.57 176.30 2fol h GLU 159 N 1.20 0.41 -0.81 1.57 4.81 -1.91 -3.13 114.58 116.72 2fol h GLU 159 Ca 0.29 -0.70 0.19 0.00 -0.13 0.00 0.00 59.36 59.01 2fol h GLU 159 Cb 0.15 0.26 -0.12 0.00 0.63 0.00 0.00 28.75 29.67 2fol h GLU 159 CO -0.03 1.32 0.23 1.96 -0.73 0.00 0.00 179.01 181.75 2fol h GLN 160 N 0.11 0.26 -0.09 1.92 4.20 -1.81 -1.14 115.11 118.55 2fol h GLN 160 Ca -0.26 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.46 2fol h GLN 160 Cb 2.10 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.78 2fol h GLN 160 CO 0.22 0.17 -0.10 0.77 -0.67 0.00 0.00 178.83 179.22 2fol h SER 161 N 0.27 -0.32 -0.14 1.46 0.02 -0.79 0.37 113.55 114.42 2fol h SER 161 Ca 0.48 0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 61.31 2fol h SER 161 Cb 0.90 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2fol h SER 161 CO -0.57 -0.14 -0.60 -0.26 -1.14 0.00 0.00 176.83 174.12 2fol h PHE 162 N -0.13 0.95 -0.40 3.45 -1.00 -1.50 -1.68 116.94 116.63 2fol h PHE 162 Ca 0.07 -0.36 0.03 0.00 2.81 0.00 0.00 57.97 60.52 2fol h PHE 162 Cb 0.23 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 2fol h PHE 162 CO -0.21 1.16 0.20 0.52 -1.61 0.00 0.00 178.31 178.37 2fol h MET 163 N 0.56 0.39 -0.68 1.51 2.86 -0.98 0.58 114.93 119.17 2fol h MET 163 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2fol h MET 163 Cb 1.19 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 2fol h MET 163 CO 0.12 0.26 0.35 1.15 1.06 0.00 0.00 176.91 179.86 2fol h THR 164 N 0.41 1.21 0.25 2.22 2.02 -0.19 -0.51 112.91 118.32 2fol h THR 164 Ca 0.17 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2fol h THR 164 Cb 0.08 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2fol h THR 164 CO -0.12 0.24 -0.12 -0.03 0.37 0.00 0.00 175.52 175.85 2fol h MET 165 N 0.95 -0.33 -0.61 6.66 -1.53 -0.52 -1.52 114.93 118.04 2fol h MET 165 Ca 0.24 0.02 0.09 0.00 -3.44 0.00 0.00 59.70 56.61 2fol h MET 165 Cb 0.05 0.07 -0.11 0.00 -0.55 0.00 0.00 31.60 31.07 2fol h MET 165 CO -0.04 -0.01 -0.42 0.00 0.14 0.00 0.00 176.91 176.58 2fol h ALA 166 N -0.03 -0.26 -0.82 0.39 0.00 -0.82 -0.80 119.26 116.93 2fol h ALA 166 Ca -0.03 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.20 2fol h ALA 166 Cb 0.47 0.94 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 2fol h ALA 166 CO 0.06 -0.79 0.16 0.00 0.00 0.00 0.00 179.25 178.68 2fol h ALA 167 N 0.72 1.07 -0.13 0.00 0.00 -0.97 0.16 119.26 120.11 2fol h ALA 167 Ca 0.20 0.21 -0.17 0.00 0.00 0.00 0.00 54.91 55.15 2fol h ALA 167 Cb 0.56 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2fol h ALA 167 CO -0.70 -0.42 -0.61 1.49 0.00 0.00 0.00 179.25 179.01 2fol h GLU 168 N 0.20 0.46 -0.02 0.00 4.57 -0.12 -1.16 114.58 118.51 2fol h GLU 168 Ca 0.48 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2fol h GLU 168 Cb 0.91 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2fol h GLU 168 CO -0.62 0.93 -0.03 0.82 -1.18 0.00 0.00 179.01 178.93 2fol h ILE 169 N 0.34 1.42 0.00 2.32 2.04 0.04 -2.87 117.51 120.80 2fol h ILE 169 Ca -0.01 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 2fol h ILE 169 Cb 1.16 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2fol h ILE 169 CO 0.11 0.34 -0.00 0.50 0.00 0.00 0.00 178.15 179.10 2fol h LYS 170 N -0.45 0.00 -0.26 2.37 3.64 -0.77 -2.12 116.57 118.99 2fol h LYS 170 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2fol h LYS 170 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2fol h LYS 170 CO 0.01 0.00 0.02 -0.22 -2.27 0.00 0.00 179.45 176.99 2fol h LYS 171 N 0.00 0.44 0.00 1.90 3.64 -1.04 -3.05 116.57 118.46 2fol h LYS 171 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2fol h LYS 171 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2fol h LYS 171 CO 0.00 0.58 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 2fol h ARG 172 N 0.23 0.00 -0.03 1.90 3.08 -1.17 -3.51 114.38 114.88 2fol h ARG 172 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2fol h ARG 172 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2fol h ARG 172 CO 0.01 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.58