#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y23 n ASN 6 N 0.00 6.60 -4.57 4.31 3.02 -1.26 -4.89 115.26 118.46 1y23 n ASN 6 Ca 0.00 -3.18 -0.39 0.00 -0.03 0.00 0.00 54.58 50.98 1y23 n ASN 6 Cb 0.00 -1.04 -0.10 0.00 -0.61 0.00 0.00 39.78 38.04 1y23 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y23 h ILE 8 N 5.44 1.04 0.01 0.00 2.10 -2.00 -2.76 117.51 121.34 1y23 h ILE 8 Ca -0.32 -0.60 -0.20 0.00 1.08 0.00 0.00 64.86 64.82 1y23 h ILE 8 Cb 1.16 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 1y23 h ILE 8 CO 0.63 0.17 -0.89 -0.26 -1.08 0.00 0.00 178.15 176.72 1y23 h PHE 9 N 0.00 0.21 -0.14 2.19 0.04 -1.98 -2.57 116.94 114.70 1y23 h PHE 9 Ca -0.00 -0.12 -0.12 0.00 2.80 0.00 0.00 57.97 60.53 1y23 h PHE 9 Cb 0.32 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1y23 h PHE 9 CO 0.00 0.96 -0.43 0.00 -0.60 0.00 0.00 178.31 178.24 1y23 h LYS 11 N 0.27 0.00 0.04 0.00 1.57 -1.44 0.51 116.57 117.51 1y23 h LYS 11 Ca 0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.57 1y23 h LYS 11 Cb 0.87 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1y23 h LYS 11 CO 0.07 0.45 -1.00 0.82 -0.57 0.00 0.00 179.45 179.21 1y23 h ILE 12 N 0.00 1.47 -0.30 1.86 2.04 -1.11 0.14 117.51 121.61 1y23 h ILE 12 Ca -0.00 -2.70 -0.15 0.00 1.00 0.00 0.00 64.86 63.00 1y23 h ILE 12 Cb 1.03 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 1y23 h ILE 12 CO 0.06 0.79 -0.43 0.40 0.00 0.00 0.00 178.15 178.97 1y23 h ILE 13 N 0.14 1.29 -0.00 -0.67 2.04 -0.92 -2.72 117.51 116.67 1y23 h ILE 13 Ca -0.08 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1y23 h ILE 13 Cb 1.67 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1y23 h ILE 13 CO 0.16 0.52 -0.00 0.00 0.00 0.00 0.00 178.15 178.84 1y23 n ALA 14 N -2.53 2.68 -0.27 1.87 0.00 0.14 -4.90 120.51 117.49 1y23 n ALA 14 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1y23 n ALA 14 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1y23 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y23 n GLY 15 N 1.02 2.06 0.32 0.00 0.00 -0.80 -4.86 105.19 102.93 1y23 n GLY 15 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.42 1y23 n GLY 15 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y23 h ASP 16 N 0.00 0.00 -3.46 1.61 3.32 -1.02 -3.39 116.42 113.48 1y23 h ASP 16 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1y23 h ASP 16 Cb 0.00 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.22 1y23 h ASP 16 CO 0.00 0.00 -0.84 -0.63 -1.72 0.00 0.00 179.24 176.05 1y23 s ILE 17 N -4.55 1.47 0.68 0.35 1.01 -0.93 -5.00 121.20 114.23 1y23 s ILE 17 Ca -0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1y23 s ILE 17 Cb 0.15 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1y23 s ILE 17 CO 0.52 0.43 1.17 -2.16 0.00 0.00 0.00 174.94 174.90 1y23 s PRO 18 N 0.48 2.51 0.09 2.79 0.04 -1.26 -4.47 135.00 135.18 1y23 s PRO 18 Ca -0.15 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.37 1y23 s PRO 18 Cb -0.16 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1y23 s PRO 18 CO 0.05 -1.52 0.40 -1.54 0.04 0.00 0.00 177.00 174.42 1y23 s SER 19 N -2.14 -0.24 -0.82 6.66 1.04 -1.26 -5.02 113.70 111.92 1y23 s SER 19 Ca 0.72 -0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.78 1y23 s SER 19 Cb -0.26 0.45 0.19 0.00 0.10 0.00 0.00 66.02 66.50 1y23 s SER 19 CO 0.42 -0.78 0.83 0.00 0.98 0.00 0.00 173.24 174.68 1y23 s ALA 20 N -3.33 3.87 0.34 5.32 0.00 -1.26 -5.03 121.76 121.67 1y23 s ALA 20 Ca 0.00 -3.10 -0.27 0.00 0.00 0.00 0.00 51.96 48.60 1y23 s ALA 20 Cb 0.01 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 1y23 s ALA 20 CO -0.09 -2.42 1.11 0.15 0.00 0.00 0.00 175.76 174.52 1y23 s LYS 21 N 0.93 4.37 0.00 0.00 1.02 -1.26 -0.88 119.74 123.92 1y23 s LYS 21 Ca 0.20 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.94 1y23 s LYS 21 Cb -0.11 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 1y23 s LYS 21 CO -0.07 -0.01 0.00 1.33 -0.92 0.00 0.00 175.35 175.67 1y23 n VAL 22 N 0.59 0.00 -3.63 3.17 0.24 -0.68 -4.92 118.33 113.11 1y23 n VAL 22 Ca 0.02 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 1y23 n VAL 22 Cb 0.46 -0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.60 1y23 n VAL 22 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1y23 s TYR 23 N -1.65 -0.54 -0.28 6.34 5.04 -1.19 -5.01 117.35 120.06 1y23 s TYR 23 Ca 0.00 1.08 -0.21 0.00 -2.44 0.00 0.00 57.07 55.50 1y23 s TYR 23 Cb 0.00 0.27 0.10 0.00 0.35 0.00 0.00 41.96 42.68 1y23 s TYR 23 CO 0.00 -0.45 0.86 -2.00 -1.34 0.00 0.00 175.55 172.62 1y23 s GLU 24 N -0.70 0.62 0.00 4.97 2.12 -1.26 -0.58 118.70 123.87 1y23 s GLU 24 Ca -0.08 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1y23 s GLU 24 Cb -0.03 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.60 1y23 s GLU 24 CO 0.05 -0.09 0.00 -0.40 -0.54 0.00 0.00 175.26 174.28 1y23 n ASP 25 N 3.06 0.00 0.03 -1.70 5.68 -0.70 -5.02 116.55 117.90 1y23 n ASP 25 Ca -0.16 -0.14 0.01 0.00 -0.50 0.00 0.00 54.79 54.00 1y23 n ASP 25 Cb 0.57 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.87 1y23 n ASP 25 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1y23 h GLU 26 N 0.00 0.46 0.00 0.11 4.81 -2.02 -3.33 114.58 114.60 1y23 h GLU 26 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1y23 h GLU 26 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1y23 h GLU 26 CO 0.00 0.51 -0.23 0.72 -0.73 0.00 0.00 179.01 179.28 1y23 n HIS 27 N -4.28 0.00 -4.38 0.92 8.25 -1.26 -4.89 115.22 109.58 1y23 n HIS 27 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1y23 n HIS 27 Cb 0.25 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.23 1y23 n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y23 s VAL 28 N -1.24 2.15 -0.09 1.59 1.01 -1.25 -0.08 120.40 122.48 1y23 s VAL 28 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 1y23 s VAL 28 Cb 0.00 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1y23 s VAL 28 CO 0.02 -0.03 0.20 -0.22 0.00 0.00 0.00 175.10 175.06 1y23 s LEU 29 N -2.26 0.25 0.01 3.92 2.96 0.04 -1.73 118.68 121.87 1y23 s LEU 29 Ca 0.15 0.42 0.09 0.00 -0.22 0.00 0.00 54.13 54.56 1y23 s LEU 29 Cb -0.09 0.50 -0.02 0.00 0.50 0.00 0.00 46.19 47.07 1y23 s LEU 29 CO 0.07 -0.19 -0.26 0.00 -1.32 0.00 0.00 176.35 174.64 1y23 s ALA 30 N 1.71 2.20 0.03 5.97 0.00 0.25 -0.96 121.76 130.95 1y23 s ALA 30 Ca -0.04 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 50.45 1y23 s ALA 30 Cb -0.11 -0.51 0.07 0.00 0.00 0.00 0.00 23.12 22.56 1y23 s ALA 30 CO -0.07 0.53 0.65 -0.59 0.00 0.00 0.00 175.76 176.28 1y23 s PHE 31 N -0.70 -0.61 0.37 0.00 -0.12 -0.16 -1.68 117.98 115.08 1y23 s PHE 31 Ca 0.11 0.83 -0.28 0.00 -0.05 0.00 0.00 56.93 57.54 1y23 s PHE 31 Cb -0.10 0.47 -0.11 0.00 -0.63 0.00 0.00 43.02 42.65 1y23 s PHE 31 CO 0.00 -0.70 1.45 -0.51 -0.05 0.00 0.00 175.22 175.42 1y23 s LEU 32 N -1.77 4.32 -0.17 -1.99 1.43 -0.06 0.20 118.68 120.64 1y23 s LEU 32 Ca -0.06 2.98 -0.24 0.00 -1.03 0.00 0.00 54.13 55.78 1y23 s LEU 32 Cb -0.00 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1y23 s LEU 32 CO 0.01 -0.84 0.77 -0.62 0.23 0.00 0.00 176.35 175.91 1y23 s ASP 33 N -0.23 6.89 0.24 2.29 -1.08 0.54 -4.70 116.67 120.61 1y23 s ASP 33 Ca 0.53 1.09 0.17 0.00 -0.52 0.00 0.00 52.55 53.82 1y23 s ASP 33 Cb -0.45 -2.43 0.90 0.00 -1.46 0.00 0.00 42.92 39.49 1y23 s ASP 33 CO 0.61 -0.36 1.53 -0.38 0.52 0.00 0.00 175.17 177.09 1y23 n ILE 34 N 4.69 1.21 0.16 4.11 5.41 -1.26 -0.85 119.36 132.82 1y23 n ILE 34 Ca 0.03 0.62 0.03 0.00 1.00 0.00 0.00 62.75 64.43 1y23 n ILE 34 Cb 0.49 -1.61 0.21 0.00 -0.71 0.00 0.00 39.64 38.03 1y23 n ILE 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1y23 h SER 35 N 0.00 0.00 -6.79 4.38 0.02 -1.94 -3.48 113.55 105.73 1y23 h SER 35 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 1y23 h SER 35 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1y23 h SER 35 CO 0.00 0.50 -0.96 0.00 -1.14 0.00 0.00 176.83 175.23 1y23 n GLN 36 N -3.51 -0.86 -0.29 3.45 1.13 -0.03 -4.78 117.38 112.49 1y23 n GLN 36 Ca 0.00 0.34 0.21 0.00 -1.94 0.00 0.00 57.00 55.62 1y23 n GLN 36 Cb 0.61 -2.01 0.51 0.00 0.11 0.00 0.00 30.24 29.45 1y23 n GLN 36 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1y23 h VAL 37 N -1.05 0.59 -3.84 5.09 2.07 -1.93 -3.41 116.25 113.77 1y23 h VAL 37 Ca -0.61 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1y23 h VAL 37 Cb 1.26 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 31.03 1y23 h VAL 37 CO 0.39 0.07 -0.41 0.42 0.02 0.00 0.00 177.57 178.07 1y23 s THR 38 N -5.46 0.15 -0.12 2.57 -4.23 -1.26 -1.57 115.64 105.72 1y23 s THR 38 Ca -0.08 -1.23 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 1y23 s THR 38 Cb 0.24 -1.33 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 1y23 s THR 38 CO 0.79 -0.68 1.92 -0.75 -0.54 0.00 0.00 174.62 175.36 1y23 s LYS 39 N -3.77 3.74 0.00 3.99 2.20 -1.26 -1.65 119.74 122.99 1y23 s LYS 39 Ca 0.04 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1y23 s LYS 39 Cb 0.05 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 1y23 s LYS 39 CO -0.10 -1.39 0.00 0.41 -0.36 0.00 0.00 175.35 173.91 1y23 n GLY 40 N 4.91 0.83 3.47 5.54 0.00 -1.26 -4.77 105.19 113.91 1y23 n GLY 40 Ca 0.22 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.75 1y23 n GLY 40 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1y23 n HIS 41 N -1.02 1.66 -4.47 1.61 -0.00 -0.66 -4.77 115.22 107.56 1y23 n HIS 41 Ca 0.00 0.21 -0.31 0.00 -0.00 0.00 0.00 57.72 57.62 1y23 n HIS 41 Cb 0.00 -2.56 -0.11 0.00 -0.00 0.00 0.00 29.99 27.31 1y23 n HIS 41 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1y23 s THR 42 N 7.46 3.06 -0.18 3.57 2.01 -1.01 -0.34 115.64 130.22 1y23 s THR 42 Ca 1.08 -1.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1y23 s THR 42 Cb -0.77 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1y23 s THR 42 CO 0.47 0.26 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.83 1y23 s LEU 43 N -1.72 2.94 -0.26 4.42 1.43 0.13 -1.13 118.68 124.49 1y23 s LEU 43 Ca 0.17 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1y23 s LEU 43 Cb -0.11 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1y23 s LEU 43 CO 0.08 0.08 -0.04 -0.69 0.23 0.00 0.00 176.35 176.02 1y23 s VAL 44 N 0.86 3.03 0.13 -1.59 1.01 -0.53 -0.99 120.40 122.32 1y23 s VAL 44 Ca -0.02 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1y23 s VAL 44 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1y23 s VAL 44 CO 0.01 0.16 -0.12 0.27 0.00 0.00 0.00 175.10 175.42 1y23 s ILE 45 N 1.34 1.21 0.29 2.22 -4.36 -0.14 -1.51 121.20 120.26 1y23 s ILE 45 Ca 0.00 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.43 1y23 s ILE 45 Cb -0.17 -1.61 -0.08 0.00 1.25 0.00 0.00 42.46 41.85 1y23 s ILE 45 CO -0.03 -0.56 0.67 -2.16 0.24 0.00 0.00 174.94 173.10 1y23 s PRO 46 N -3.08 3.91 0.28 0.37 0.04 -1.26 -0.78 135.00 134.49 1y23 s PRO 46 Ca 0.11 0.51 0.10 0.00 0.04 0.00 0.00 61.00 61.75 1y23 s PRO 46 Cb -0.02 -2.51 0.40 0.00 0.04 0.00 0.00 34.50 32.41 1y23 s PRO 46 CO 0.02 0.20 1.64 0.87 0.04 0.00 0.00 177.00 179.77 1y23 h LYS 47 N 2.29 0.05 -6.78 4.56 1.57 -0.82 -3.43 116.57 114.02 1y23 h LYS 47 Ca -0.47 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 1y23 h LYS 47 Cb 1.17 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.55 1y23 h LYS 47 CO 0.67 0.61 0.75 0.99 -0.57 0.00 0.00 179.45 181.89 1y23 s THR 48 N -3.75 2.61 -0.82 -0.16 2.01 -1.26 -4.89 115.64 109.38 1y23 s THR 48 Ca -0.02 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 1y23 s THR 48 Cb 0.13 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.32 1y23 s THR 48 CO 0.76 0.09 1.49 -2.28 -0.69 0.00 0.00 174.62 174.00 1y23 s HIS 49 N -0.20 2.20 -0.19 4.92 2.46 -1.26 -4.94 115.29 118.27 1y23 s HIS 49 Ca 0.58 -0.06 -0.03 0.00 0.47 0.00 0.00 55.06 56.02 1y23 s HIS 49 Cb -0.42 -4.50 -0.01 0.00 -0.13 0.00 0.00 32.58 27.52 1y23 s HIS 49 CO 0.46 -2.04 -0.07 -1.50 -2.47 0.00 0.00 174.74 169.11 1y23 s ILE 50 N 6.53 3.24 0.11 0.89 2.07 -1.26 -5.03 121.20 127.76 1y23 s ILE 50 Ca 0.47 -0.55 -0.20 0.00 -1.41 0.00 0.00 60.65 58.95 1y23 s ILE 50 Cb -0.06 -2.44 -0.09 0.00 0.13 0.00 0.00 42.46 40.00 1y23 s ILE 50 CO 0.07 0.46 1.73 -0.33 -1.91 0.00 0.00 174.94 174.96 1y23 h GLU 51 N 7.67 0.21 0.00 3.50 5.08 -1.92 0.90 114.58 130.02 1y23 h GLU 51 Ca -0.37 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 57.78 1y23 h GLU 51 Cb 1.17 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1y23 h GLU 51 CO 0.60 0.18 -0.09 0.27 -1.00 0.00 0.00 179.01 178.97 1y23 n ASN 52 N -4.95 -0.91 0.28 1.42 0.23 -1.26 -2.46 115.26 107.60 1y23 n ASN 52 Ca -0.04 -2.25 0.15 0.00 -0.53 0.00 0.00 54.58 51.91 1y23 n ASN 52 Cb 0.05 1.69 0.80 0.00 -2.08 0.00 0.00 39.78 40.24 1y23 n ASN 52 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1y23 h VAL 53 N 1.67 0.41 -0.18 3.53 3.04 -1.92 -2.90 116.25 119.90 1y23 h VAL 53 Ca -0.18 -0.44 -0.08 0.00 -1.01 0.00 0.00 66.70 65.00 1y23 h VAL 53 Cb 0.78 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1y23 h VAL 53 CO 0.24 0.08 -0.22 1.88 -1.01 0.00 0.00 177.57 178.54 1y23 h TYR 54 N 0.00 0.35 0.00 3.17 -1.99 -2.00 -2.97 116.97 113.53 1y23 h TYR 54 Ca -0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1y23 h TYR 54 Cb 0.30 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.94 1y23 h TYR 54 CO 0.00 0.53 0.00 0.39 -0.00 0.00 0.00 178.16 179.08 1y23 n GLU 55 N -4.17 0.96 -2.28 4.88 1.02 -1.09 -4.86 120.64 115.10 1y23 n GLU 55 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 1y23 n GLU 55 Cb 0.35 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1y23 n GLU 55 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1y23 s PHE 56 N -2.00 3.32 0.36 -0.32 0.40 -1.12 -5.03 117.98 113.59 1y23 s PHE 56 Ca 0.41 1.30 0.08 0.00 -0.60 0.00 0.00 56.93 58.12 1y23 s PHE 56 Cb 0.19 -3.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 1y23 s PHE 56 CO 0.31 -1.61 0.29 0.95 0.70 0.00 0.00 175.22 175.86 1y23 s THR 57 N 0.03 3.15 0.18 0.64 -4.23 -1.26 -4.96 115.64 109.19 1y23 s THR 57 Ca 0.55 -1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 59.50 1y23 s THR 57 Cb -0.35 -3.09 0.08 0.00 1.34 0.00 0.00 72.50 70.48 1y23 s THR 57 CO 0.38 -0.12 1.79 0.44 -0.54 0.00 0.00 174.62 176.56 1y23 h ASP 58 N 1.24 0.74 -0.80 3.99 3.32 -1.98 0.12 116.42 123.05 1y23 h ASP 58 Ca -0.44 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 1y23 h ASP 58 Cb 1.26 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1y23 h ASP 58 CO 0.59 0.62 0.46 -0.08 -1.72 0.00 0.00 179.24 179.12 1y23 h GLU 59 N 0.80 1.11 -0.07 3.56 4.57 -2.00 -0.96 114.58 121.59 1y23 h GLU 59 Ca 0.21 -0.11 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 1y23 h GLU 59 Cb 0.05 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1y23 h GLU 59 CO -0.03 0.80 -0.75 1.25 -1.18 0.00 0.00 179.01 179.09 1y23 h LEU 60 N 1.11 0.49 -1.42 1.64 5.85 -1.87 -2.95 115.31 118.15 1y23 h LEU 60 Ca 0.29 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1y23 h LEU 60 Cb -0.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1y23 h LEU 60 CO -0.05 1.07 0.08 0.00 -0.34 0.00 0.00 178.44 179.20 1y23 h ALA 61 N 0.91 1.54 -0.32 1.25 0.00 -0.34 -2.45 119.26 119.85 1y23 h ALA 61 Ca -0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1y23 h ALA 61 Cb 1.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1y23 h ALA 61 CO 0.13 0.35 -0.38 -0.22 0.00 0.00 0.00 179.25 179.13 1y23 h LYS 62 N 0.46 0.76 -0.01 0.00 3.64 -1.05 -2.52 116.57 117.84 1y23 h LYS 62 Ca 0.11 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1y23 h LYS 62 Cb 0.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1y23 h LYS 62 CO -0.00 1.01 0.00 1.04 -2.27 0.00 0.00 179.45 179.23 1y23 n GLN 63 N -4.05 1.07 0.02 1.90 6.02 -0.95 -4.45 117.38 116.94 1y23 n GLN 63 Ca -0.02 -0.10 -0.01 0.00 -0.01 0.00 0.00 57.00 56.87 1y23 n GLN 63 Cb 0.52 -1.39 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 1y23 n GLN 63 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1y23 n TYR 64 N -0.78 0.00 -0.18 1.08 9.36 -1.05 -4.44 117.16 121.15 1y23 n TYR 64 Ca 0.18 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.58 1y23 n TYR 64 Cb 0.11 -0.06 0.53 0.00 -0.63 0.00 0.00 39.34 39.29 1y23 n TYR 64 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1y23 h PHE 65 N -0.12 0.45 -0.58 2.98 3.57 -1.67 -2.51 116.94 119.06 1y23 h PHE 65 Ca 0.00 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1y23 h PHE 65 Cb 0.12 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1y23 h PHE 65 CO -0.05 0.15 0.39 1.12 -2.23 0.00 0.00 178.31 177.69 1y23 h HIS 66 N 0.36 0.32 0.00 0.41 2.07 -1.82 -0.85 115.15 115.64 1y23 h HIS 66 Ca 0.40 0.01 -0.07 0.00 -2.85 0.00 0.00 60.37 57.86 1y23 h HIS 66 Cb 1.02 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.88 1y23 h HIS 66 CO -0.00 0.15 -0.31 0.00 -3.07 0.00 0.00 177.93 174.69 1y23 h ALA 67 N 1.71 1.38 -0.05 6.11 0.00 -1.80 -3.25 119.26 123.37 1y23 h ALA 67 Ca 0.27 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1y23 h ALA 67 Cb 0.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1y23 h ALA 67 CO -0.06 0.39 -0.10 0.28 0.00 0.00 0.00 179.25 179.75 1y23 h VAL 68 N 0.00 0.72 -0.58 0.00 2.07 -1.30 -0.30 116.25 116.86 1y23 h VAL 68 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1y23 h VAL 68 Cb 0.59 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1y23 h VAL 68 CO 0.04 0.00 0.28 -0.65 0.02 0.00 0.00 177.57 177.26 1y23 h PRO 69 N -0.16 0.83 0.13 1.57 0.11 -1.68 0.15 132.00 132.96 1y23 h PRO 69 Ca 0.06 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y23 h PRO 69 Cb 0.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1y23 h PRO 69 CO -0.14 0.67 -0.13 0.87 -0.21 0.00 0.00 178.00 179.06 1y23 h LYS 70 N 0.79 -0.28 -0.87 1.05 1.57 -1.56 -0.48 116.57 116.79 1y23 h LYS 70 Ca 0.20 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1y23 h LYS 70 Cb 0.11 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1y23 h LYS 70 CO -0.03 -0.19 0.45 0.82 -0.57 0.00 0.00 179.45 179.94 1y23 h ILE 71 N -0.29 1.26 -0.31 1.86 2.04 -0.93 -1.56 117.51 119.58 1y23 h ILE 71 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1y23 h ILE 71 Cb 0.28 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1y23 h ILE 71 CO -0.03 0.30 0.20 0.00 0.00 0.00 0.00 178.15 178.61 1y23 h ALA 72 N 1.25 0.39 -0.60 1.87 0.00 -0.57 -1.39 119.26 120.20 1y23 h ALA 72 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1y23 h ALA 72 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1y23 h ALA 72 CO -0.04 -0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.25 1y23 h ARG 73 N 0.41 0.92 -0.34 0.00 3.08 -0.81 -0.87 114.38 116.77 1y23 h ARG 73 Ca 0.11 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1y23 h ARG 73 Cb -0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1y23 h ARG 73 CO -0.02 0.81 0.20 0.00 -1.07 0.00 0.00 179.97 179.89 1y23 h ALA 74 N 1.29 0.43 -0.52 0.04 0.00 -0.89 -0.02 119.26 119.59 1y23 h ALA 74 Ca 0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1y23 h ALA 74 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1y23 h ALA 74 CO -0.00 -0.07 -0.07 0.82 0.00 0.00 0.00 179.25 179.92 1y23 h ILE 75 N 0.44 1.26 -0.59 0.00 2.04 -1.00 -1.49 117.51 118.17 1y23 h ILE 75 Ca 0.12 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 1y23 h ILE 75 Cb 0.01 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1y23 h ILE 75 CO -0.02 0.42 0.05 -0.09 0.00 0.00 0.00 178.15 178.51 1y23 h ARG 76 N 0.85 0.98 -0.05 2.37 2.43 -0.81 -2.16 114.38 118.00 1y23 h ARG 76 Ca 0.14 -0.27 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 1y23 h ARG 76 Cb 0.60 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1y23 h ARG 76 CO 0.04 0.94 -0.79 -0.44 -1.51 0.00 0.00 179.97 178.20 1y23 h ASP 77 N 0.92 0.44 -0.24 -3.80 3.32 -0.84 0.26 116.42 116.47 1y23 h ASP 77 Ca 0.18 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 1y23 h ASP 77 Cb 0.47 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1y23 h ASP 77 CO 0.02 1.07 -0.43 -0.08 -1.72 0.00 0.00 179.24 178.10 1y23 h GLU 78 N 0.23 0.72 -0.02 3.56 4.57 -1.12 -3.35 114.58 119.16 1y23 h GLU 78 Ca -0.04 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1y23 h GLU 78 Cb 1.39 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1y23 h GLU 78 CO 0.13 1.07 0.00 1.19 -1.18 0.00 0.00 179.01 180.22 1y23 n PHE 79 N -4.17 0.02 -4.06 0.92 3.01 -0.83 -5.04 117.46 107.31 1y23 n PHE 79 Ca -0.05 -0.04 -0.38 0.00 1.01 0.00 0.00 57.45 57.99 1y23 n PHE 79 Cb 0.56 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 1y23 n PHE 79 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1y23 n GLU 80 N 0.24 -0.47 -0.95 -1.08 1.02 0.92 -4.91 120.64 115.40 1y23 n GLU 80 Ca 0.03 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.89 1y23 n GLU 80 Cb 0.13 -2.30 0.20 0.00 -0.02 0.00 0.00 31.44 29.46 1y23 n GLU 80 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1y23 s PRO 81 N -7.10 -0.09 0.01 3.49 0.04 -1.26 -4.95 135.00 125.14 1y23 s PRO 81 Ca 0.32 0.61 0.25 0.00 0.04 0.00 0.00 61.00 62.22 1y23 s PRO 81 Cb -0.18 -1.67 0.55 0.00 0.04 0.00 0.00 34.50 33.24 1y23 s PRO 81 CO 0.86 -3.11 1.45 0.44 0.04 0.00 0.00 177.00 176.68 1y23 n ILE 82 N -4.45 0.02 -3.78 0.56 -5.35 0.06 -4.96 119.36 101.46 1y23 n ILE 82 Ca 0.04 -0.02 -0.05 0.00 -0.27 0.00 0.00 62.75 62.46 1y23 n ILE 82 Cb 0.56 0.17 0.02 0.00 -1.74 0.00 0.00 39.64 38.66 1y23 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y23 n GLY 83 N 1.49 0.86 3.64 3.28 0.00 -1.11 -4.99 105.19 108.35 1y23 n GLY 83 Ca 0.05 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1y23 n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y23 s LEU 84 N 0.00 -0.40 0.21 0.99 0.20 -1.26 -0.51 118.68 117.92 1y23 s LEU 84 Ca 0.18 0.75 0.08 0.00 0.69 0.00 0.00 54.13 55.82 1y23 s LEU 84 Cb -0.03 1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 47.43 1y23 s LEU 84 CO 0.07 -0.13 -0.14 0.20 -0.29 0.00 0.00 176.35 176.06 1y23 s ASN 85 N 0.30 2.61 -0.05 3.68 -0.87 0.62 -4.95 114.94 116.28 1y23 s ASN 85 Ca 0.03 -1.03 0.04 0.00 -1.57 0.00 0.00 52.86 50.33 1y23 s ASN 85 Cb -0.05 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 1y23 s ASN 85 CO -0.08 -0.17 -0.16 0.42 -2.57 0.00 0.00 177.10 174.54 1y23 s THR 86 N -2.96 1.33 -0.02 1.60 -4.23 -1.25 -0.14 115.64 109.97 1y23 s THR 86 Ca 0.23 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1y23 s THR 86 Cb -0.01 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.68 1y23 s THR 86 CO 0.07 0.39 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.31 1y23 s LEU 87 N 0.20 1.55 -0.07 4.79 2.96 -0.24 -4.94 118.68 122.92 1y23 s LEU 87 Ca -0.07 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1y23 s LEU 87 Cb -0.12 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.39 1y23 s LEU 87 CO 0.03 -0.04 -0.14 0.21 -1.32 0.00 0.00 176.35 175.09 1y23 s ASN 88 N 0.52 1.91 -0.09 3.68 3.04 -1.26 0.32 114.94 123.06 1y23 s ASN 88 Ca -0.05 -0.32 0.02 0.00 0.04 0.00 0.00 52.86 52.55 1y23 s ASN 88 Cb -0.08 -0.86 -0.02 0.00 -1.54 0.00 0.00 41.25 38.75 1y23 s ASN 88 CO -0.01 0.05 -0.16 0.20 -3.04 0.00 0.00 177.10 174.14 1y23 s ASN 89 N 0.60 3.82 -0.27 -4.21 0.01 -1.26 -5.07 114.94 108.56 1y23 s ASN 89 Ca -0.14 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1y23 s ASN 89 Cb -0.16 -1.26 0.08 0.00 0.41 0.00 0.00 41.25 40.31 1y23 s ASN 89 CO 0.04 0.23 0.00 0.20 -1.51 0.00 0.00 177.10 176.06 1y23 s ASN 90 N -0.04 4.03 0.00 -1.22 0.01 -1.26 -4.54 114.94 111.91 1y23 s ASN 90 Ca -0.04 -1.45 0.00 0.00 -0.71 0.00 0.00 52.86 50.66 1y23 s ASN 90 Cb -0.14 -1.17 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1y23 s ASN 90 CO 0.04 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 1y23 n GLY 91 N 4.64 2.51 0.40 0.66 0.00 -1.26 -4.46 105.19 107.68 1y23 n GLY 91 Ca -0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 1y23 n GLY 91 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1y23 h GLU 92 N 0.00 -0.13 0.00 1.61 4.81 -1.94 0.41 114.58 119.33 1y23 h GLU 92 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1y23 h GLU 92 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1y23 h GLU 92 CO 0.00 -0.09 0.00 1.63 -0.73 0.00 0.00 179.01 179.82 1y23 n LYS 93 N -5.39 0.22 0.00 1.92 4.76 -1.26 -1.34 118.16 117.07 1y23 n LYS 93 Ca 0.04 0.14 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1y23 n LYS 93 Cb 0.34 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.10 1y23 n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1y23 n ALA 94 N -1.28 3.88 0.00 7.82 0.00 0.14 -4.94 120.51 126.13 1y23 n ALA 94 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1y23 n ALA 94 Cb 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1y23 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y23 n GLY 95 N 1.45 1.01 3.59 0.00 0.00 -0.45 -4.62 105.19 106.16 1y23 n GLY 95 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1y23 n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y23 s GLN 96 N -0.58 3.79 -0.14 1.61 0.74 -0.73 -4.91 119.66 119.44 1y23 s GLN 96 Ca 0.00 0.27 0.17 0.00 0.05 0.00 0.00 55.36 55.85 1y23 s GLN 96 Cb 0.00 -3.78 -0.24 0.00 1.10 0.00 0.00 33.01 30.09 1y23 s GLN 96 CO 0.00 -0.73 0.27 -1.13 -0.55 0.00 0.00 175.29 173.15 1y23 n SER 97 N 6.15 0.25 -4.42 6.67 3.41 -1.26 -3.59 113.62 120.82 1y23 n SER 97 Ca 0.01 0.12 -0.34 0.00 -0.26 0.00 0.00 58.87 58.39 1y23 n SER 97 Cb 0.48 0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 65.07 1y23 n SER 97 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y23 s VAL 98 N -2.59 3.71 -0.57 -3.33 1.01 -1.26 -5.02 120.40 112.35 1y23 s VAL 98 Ca -0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1y23 s VAL 98 Cb 0.07 -2.65 -0.18 0.00 0.00 0.00 0.00 36.38 33.62 1y23 s VAL 98 CO 0.83 0.46 3.32 0.49 0.00 0.00 0.00 175.10 180.20 1y23 n PHE 99 N 4.06 0.95 -3.72 5.22 3.72 -1.26 -4.70 117.46 121.73 1y23 n PHE 99 Ca -0.18 -2.06 -0.19 0.00 -0.05 0.00 0.00 57.45 54.97 1y23 n PHE 99 Cb 0.52 -1.86 -0.17 0.00 -0.94 0.00 0.00 39.48 37.02 1y23 n PHE 99 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1y23 s HIS 100 N 1.06 0.14 0.13 1.38 2.46 -1.21 -4.19 115.29 115.06 1y23 s HIS 100 Ca 0.67 0.17 -0.35 0.00 0.47 0.00 0.00 55.06 56.02 1y23 s HIS 100 Cb 0.28 -0.47 -0.16 0.00 -0.13 0.00 0.00 32.58 32.10 1y23 s HIS 100 CO -0.04 -0.18 1.31 0.98 -2.47 0.00 0.00 174.74 174.34 1y23 n TYR 101 N 5.01 1.55 -3.72 3.88 9.36 0.31 -4.92 117.16 128.63 1y23 n TYR 101 Ca -0.09 0.60 -0.14 0.00 3.32 0.00 0.00 57.90 61.59 1y23 n TYR 101 Cb 0.50 -2.34 -0.09 0.00 -0.63 0.00 0.00 39.34 36.78 1y23 n TYR 101 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 1y23 s HIS 102 N 0.27 -0.35 -0.12 2.98 -3.43 -1.26 -4.35 115.29 109.02 1y23 s HIS 102 Ca 0.79 0.73 0.00 0.00 -0.80 0.00 0.00 55.06 55.78 1y23 s HIS 102 Cb -0.88 0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 30.41 1y23 s HIS 102 CO 0.48 -0.34 -0.13 1.41 -2.00 0.00 0.00 174.74 174.16 1y23 s MET 103 N -0.65 3.26 -0.08 -0.38 1.75 -0.57 -4.40 119.30 118.23 1y23 s MET 103 Ca -0.07 -0.69 -0.17 0.00 -1.25 0.00 0.00 55.69 53.51 1y23 s MET 103 Cb -0.04 -2.60 -0.05 0.00 2.84 0.00 0.00 34.83 34.99 1y23 s MET 103 CO 0.03 0.27 0.46 -1.01 -0.65 0.00 0.00 175.02 174.12 1y23 s HIS 104 N 0.19 3.58 -0.39 4.11 3.76 0.15 -1.46 115.29 125.23 1y23 s HIS 104 Ca -0.08 0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 55.73 1y23 s HIS 104 Cb -0.15 -2.48 0.10 0.00 1.11 0.00 0.00 32.58 31.16 1y23 s HIS 104 CO 0.05 0.30 0.17 0.42 -0.85 0.00 0.00 174.74 174.83 1y23 s ILE 105 N 0.12 3.26 -0.36 0.60 1.01 -0.28 -1.08 121.20 124.46 1y23 s ILE 105 Ca 0.25 -1.92 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 1y23 s ILE 105 Cb -0.16 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.19 1y23 s ILE 105 CO 0.11 -0.58 0.15 -0.63 0.00 0.00 0.00 174.94 173.99 1y23 s ILE 106 N 1.17 4.05 0.44 2.92 1.01 0.80 -2.41 121.20 129.17 1y23 s ILE 106 Ca 0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 60.65 59.38 1y23 s ILE 106 Cb -0.22 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 1y23 s ILE 106 CO -0.03 -0.25 1.05 -2.16 0.00 0.00 0.00 174.94 173.55 1y23 s PRO 107 N 1.44 4.00 -0.05 2.79 0.04 -1.26 -0.27 135.00 141.68 1y23 s PRO 107 Ca 0.00 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.55 1y23 s PRO 107 Cb -0.20 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1y23 s PRO 107 CO 0.04 -0.28 -0.16 1.03 0.04 0.00 0.00 177.00 177.67 1y23 s ARG 108 N -2.78 2.55 0.00 4.56 1.81 0.34 -4.81 118.95 120.62 1y23 s ARG 108 Ca 0.62 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.90 1y23 s ARG 108 Cb -0.20 -2.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.93 1y23 s ARG 108 CO 0.25 0.57 0.15 0.66 -0.68 0.00 0.00 175.30 176.25 1y23 n TYR 109 N 2.46 0.00 0.00 -0.53 4.02 -1.26 -0.76 117.16 121.10 1y23 n TYR 109 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1y23 n TYR 109 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1y23 n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y23 n GLY 110 N 0.46 0.62 3.67 2.72 0.00 -1.26 -4.83 105.19 106.58 1y23 n GLY 110 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1y23 n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y23 s LYS 111 N 0.00 4.18 0.00 1.61 1.02 -1.26 -2.45 119.74 122.84 1y23 s LYS 111 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1y23 s LYS 111 Cb 0.00 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 1y23 s LYS 111 CO 0.00 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 1y23 n GLY 112 N 4.18 1.83 3.65 -3.33 0.00 -1.26 -5.07 105.19 105.19 1y23 n GLY 112 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 1y23 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y23 n ASP 113 N 0.00 2.77 0.00 1.61 8.00 -1.02 -4.83 116.55 123.07 1y23 n ASP 113 Ca 0.00 1.08 0.12 0.00 0.71 0.00 0.00 54.79 56.70 1y23 n ASP 113 Cb 0.00 -1.36 0.69 0.00 -0.02 0.00 0.00 41.12 40.44 1y23 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y23 n GLY 114 N 3.33 -0.87 3.17 0.44 0.00 -0.61 -4.74 105.19 105.92 1y23 n GLY 114 Ca 0.18 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1y23 n GLY 114 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y23 s PHE 115 N -2.00 1.56 -0.26 1.61 5.36 -1.26 -4.95 117.98 118.04 1y23 s PHE 115 Ca 0.35 -0.31 -0.25 0.00 -0.96 0.00 0.00 56.93 55.76 1y23 s PHE 115 Cb 0.16 -0.99 0.08 0.00 -0.34 0.00 0.00 43.02 41.92 1y23 s PHE 115 CO 0.27 -0.01 0.76 0.20 -1.46 0.00 0.00 175.22 174.98 1y23 s GLY 116 N -0.53 -0.49 -0.33 13.12 0.00 -1.26 -5.12 107.32 112.71 1y23 s GLY 116 Ca 0.06 2.06 -0.11 0.00 0.00 0.00 0.00 44.72 46.74 1y23 s GLY 116 CO -0.00 1.70 0.19 0.00 0.00 0.00 0.00 173.10 174.99 1y23 s ALA 117 N 0.25 3.38 -0.01 3.20 0.00 -1.26 -5.05 121.76 122.26 1y23 s ALA 117 Ca -0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1y23 s ALA 117 Cb -0.05 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1y23 s ALA 117 CO 0.01 -0.95 1.46 0.08 0.00 0.00 0.00 175.76 176.36 1y23 s VAL 118 N 1.66 3.65 -0.32 0.00 1.01 -1.26 -4.98 120.40 120.16 1y23 s VAL 118 Ca 0.05 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1y23 s VAL 118 Cb -0.17 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.67 1y23 s VAL 118 CO 0.08 -0.02 0.04 0.86 0.00 0.00 0.00 175.10 176.06 1y23 s TRP 119 N 2.79 3.11 -0.38 5.22 -0.11 -1.26 -5.08 118.94 123.24 1y23 s TRP 119 Ca 0.66 -2.54 -0.07 0.00 1.22 0.00 0.00 56.10 55.37 1y23 s TRP 119 Cb -0.32 -2.45 0.06 0.00 -1.50 0.00 0.00 33.47 29.26 1y23 s TRP 119 CO 0.27 -0.91 0.17 0.15 -4.62 0.00 0.00 176.95 172.00 1y23 s LYS 120 N 1.13 2.53 0.75 5.86 1.02 -1.26 -5.09 119.74 124.68 1y23 s LYS 120 Ca 0.08 -1.37 -0.12 0.00 0.02 0.00 0.00 55.97 54.59 1y23 s LYS 120 Cb -0.19 -3.58 0.05 0.00 -0.52 0.00 0.00 37.83 33.59 1y23 s LYS 120 CO -0.12 -0.82 1.11 -0.08 -0.92 0.00 0.00 175.35 174.52 1y23 s THR 121 N 1.37 3.17 0.00 2.17 -1.32 -1.26 -4.99 115.64 114.78 1y23 s THR 121 Ca 0.01 0.43 0.10 0.00 -1.21 0.00 0.00 61.69 61.02 1y23 s THR 121 Cb -0.21 -2.90 0.16 0.00 -1.51 0.00 0.00 72.50 68.04 1y23 s THR 121 CO 0.02 -0.44 1.02 1.41 -2.21 0.00 0.00 174.62 174.41 1y23 n HIS 122 N -3.21 0.00 -0.15 9.09 8.25 -1.26 -4.96 115.22 122.97 1y23 n HIS 122 Ca 0.10 -0.43 0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1y23 n HIS 122 Cb 0.52 0.21 0.41 0.00 1.12 0.00 0.00 29.99 32.25 1y23 n HIS 122 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y23 h ALA 123 N 0.37 1.84 0.00 -1.41 0.00 -1.94 -1.17 119.26 116.94 1y23 h ALA 123 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1y23 h ALA 123 Cb 1.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1y23 h ALA 123 CO -0.10 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 1y23 n ASP 124 N -4.49 0.00 -0.89 0.00 8.00 -1.26 -2.56 116.55 115.35 1y23 n ASP 124 Ca 0.11 -1.12 0.11 0.00 0.71 0.00 0.00 54.79 54.60 1y23 n ASP 124 Cb 0.31 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.52 1y23 n ASP 124 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1y23 n ASP 125 N -0.79 2.89 -3.97 -2.24 10.43 -0.44 -4.93 116.55 117.50 1y23 n ASP 125 Ca 0.11 -1.90 -0.20 0.00 2.57 0.00 0.00 54.79 55.37 1y23 n ASP 125 Cb 0.05 -0.06 -0.16 0.00 1.84 0.00 0.00 41.12 42.80 1y23 n ASP 125 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1y23 s TYR 126 N -1.66 0.90 0.32 1.24 1.51 -1.06 -5.13 117.35 113.47 1y23 s TYR 126 Ca 0.27 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1y23 s TYR 126 Cb 0.18 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1y23 s TYR 126 CO 0.27 -0.14 0.52 0.15 -1.11 0.00 0.00 175.55 175.24 1y23 s LYS 127 N 0.45 3.51 0.42 -0.62 1.02 -1.26 -4.96 119.74 118.30 1y23 s LYS 127 Ca -0.07 -0.30 0.19 0.00 0.02 0.00 0.00 55.97 55.81 1y23 s LYS 127 Cb -0.11 -2.69 1.11 0.00 -0.52 0.00 0.00 37.83 35.62 1y23 s LYS 127 CO 0.01 0.20 1.83 -1.00 -0.92 0.00 0.00 175.35 175.47 1y23 h PRO 128 N 1.06 0.37 0.00 -1.68 0.13 -2.00 -0.52 132.00 129.36 1y23 h PRO 128 Ca -0.49 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.46 1y23 h PRO 128 Cb 1.21 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1y23 h PRO 128 CO 0.63 0.25 -0.73 1.49 -0.23 0.00 0.00 178.00 179.40 1y23 h GLU 129 N 0.38 0.00 -0.11 0.86 4.81 -1.99 -2.59 114.58 115.94 1y23 h GLU 129 Ca 0.50 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1y23 h GLU 129 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1y23 h GLU 129 CO -0.20 0.73 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.35 1y23 h ASP 130 N 0.00 0.22 -0.94 1.04 3.32 -1.49 -1.74 116.42 116.83 1y23 h ASP 130 Ca -0.01 -0.37 0.09 0.00 0.02 0.00 0.00 57.03 56.77 1y23 h ASP 130 Cb 1.34 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 1y23 h ASP 130 CO 0.10 0.54 0.58 -0.07 -1.72 0.00 0.00 179.24 178.66 1y23 h LEU 131 N -0.10 0.88 -0.94 1.55 4.07 -1.46 1.00 115.31 120.31 1y23 h LEU 131 Ca 0.03 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 1y23 h LEU 131 Cb 0.44 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1y23 h LEU 131 CO 0.01 0.51 -0.23 -0.61 -1.08 0.00 0.00 178.44 177.04 1y23 h GLN 132 N 0.98 0.51 -0.11 1.13 5.75 -1.30 0.17 115.11 122.24 1y23 h GLN 132 Ca 0.44 -0.19 -0.21 0.00 -0.15 0.00 0.00 58.65 58.54 1y23 h GLN 132 Cb 0.33 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.86 1y23 h GLN 132 CO -0.22 0.71 -0.76 -0.91 -2.65 0.00 0.00 178.83 175.00 1y23 h ASN 133 N 0.45 0.86 0.48 -0.69 2.35 -0.33 -1.24 115.58 117.47 1y23 h ASN 133 Ca 0.07 -0.65 -0.02 0.00 -0.55 0.00 0.00 56.30 55.14 1y23 h ASN 133 Cb 0.65 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1y23 h ASN 133 CO 0.05 1.38 -0.23 0.40 -1.65 0.00 0.00 177.43 177.38 1y23 h ILE 134 N 0.40 0.50 -0.87 2.81 2.04 -0.66 -1.50 117.51 120.24 1y23 h ILE 134 Ca -0.06 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1y23 h ILE 134 Cb 1.40 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1y23 h ILE 134 CO 0.15 0.04 0.58 0.77 0.00 0.00 0.00 178.15 179.69 1y23 h SER 135 N -0.79 1.00 -0.43 1.72 4.64 -1.05 -1.62 113.55 117.01 1y23 h SER 135 Ca -0.07 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1y23 h SER 135 Cb 0.56 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1y23 h SER 135 CO 0.11 0.72 0.29 -1.28 -0.87 0.00 0.00 176.83 175.80 1y23 h SER 136 N 1.18 0.48 -0.19 4.97 0.87 -1.12 0.24 113.55 119.98 1y23 h SER 136 Ca 0.32 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 1y23 h SER 136 Cb -0.14 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1y23 h SER 136 CO -0.07 0.35 -0.38 0.28 -0.53 0.00 0.00 176.83 176.47 1y23 h SER 137 N 0.57 0.66 -0.46 6.23 0.02 -0.34 -2.42 113.55 117.81 1y23 h SER 137 Ca 0.16 -0.55 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 1y23 h SER 137 Cb -0.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1y23 h SER 137 CO -0.04 1.09 -0.02 0.40 -1.14 0.00 0.00 176.83 177.13 1y23 h ILE 138 N 0.26 1.26 -0.70 3.27 2.04 -0.95 -3.03 117.51 119.66 1y23 h ILE 138 Ca 0.01 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.82 1y23 h ILE 138 Cb 0.98 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1y23 h ILE 138 CO 0.09 0.37 0.43 0.00 0.00 0.00 0.00 178.15 179.04 1y23 h ALA 139 N 0.91 0.93 -0.89 1.87 0.00 -0.97 -2.54 119.26 118.56 1y23 h ALA 139 Ca 0.13 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1y23 h ALA 139 Cb 0.53 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1y23 h ALA 139 CO 0.03 0.19 0.57 0.87 0.00 0.00 0.00 179.25 180.91 1y23 h LYS 140 N 0.83 0.79 0.00 0.00 1.57 -1.30 0.98 116.57 119.44 1y23 h LYS 140 Ca 0.29 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1y23 h LYS 140 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1y23 h LYS 140 CO -0.13 0.52 -0.24 0.00 -0.57 0.00 0.00 179.45 179.03 1y23 h ARG 141 N 0.81 0.00 -0.00 3.15 3.08 -1.47 -2.98 114.38 116.97 1y23 h ARG 141 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1y23 h ARG 141 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1y23 h ARG 141 CO -0.19 0.24 -0.13 1.28 -1.07 0.00 0.00 179.97 180.10 1y23 n LEU 142 N -3.43 0.44 0.32 3.04 4.77 0.31 -3.87 117.00 118.57 1y23 n LEU 142 Ca -0.00 0.05 0.21 0.00 -0.03 0.00 0.00 56.01 56.23 1y23 n LEU 142 Cb 0.43 -0.21 1.03 0.00 -2.33 0.00 0.00 43.42 42.33 1y23 n LEU 142 CO 0.34 0.08 1.12 0.00 -1.33 0.00 0.00 177.39 177.59 1y23 h ALA 143 N 3.52 1.01 -0.01 -1.18 0.00 -1.32 -2.11 119.26 119.17 1y23 h ALA 143 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y23 h ALA 143 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y23 h ALA 143 CO 0.00 0.00 -0.52 -1.13 0.00 0.00 0.00 179.25 177.60 1y23 n SER 144 N -3.11 1.39 0.00 0.00 3.41 -1.25 -5.17 113.62 108.89 1y23 n SER 144 Ca -0.02 -1.10 0.03 0.00 -0.26 0.00 0.00 58.87 57.52 1y23 n SER 144 Cb 0.16 0.46 0.16 0.00 -0.26 0.00 0.00 64.21 64.73 1y23 n SER 144 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34