#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 3.19 -4.64 4.31 3.02 -1.26 -4.99 115.26 114.89 1y23 n ASN 6 Ca 0.00 -3.34 -0.41 0.00 -0.03 0.00 0.00 54.58 50.80 1y23 n ASN 6 Cb 0.00 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.54 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 5.38 1.19 -0.15 0.00 2.10 -1.97 -2.30 117.51 121.75 1y23 h ILE 8 Ca -0.26 -0.48 -0.13 0.00 1.08 0.00 0.00 64.86 65.07 1y23 h ILE 8 Cb 1.12 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 37.21 1y23 h ILE 8 CO 0.80 0.21 -0.47 -0.26 -1.08 0.00 0.00 178.15 177.35 1y23 h PHE 9 N 0.84 0.47 -0.01 2.19 -1.00 -1.98 -2.30 116.94 115.16 1y23 h PHE 9 Ca 0.21 -0.15 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1y23 h PHE 9 Cb 0.03 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1y23 h PHE 9 CO 0.01 0.79 -0.41 0.00 -1.61 0.00 0.00 178.31 177.08 1y23 h LYS 11 N 0.01 0.00 -0.15 0.00 1.57 -0.98 -0.68 116.57 116.34 1y23 h LYS 11 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1y23 h LYS 11 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1y23 h LYS 11 CO 0.05 0.54 -0.73 0.82 -0.57 0.00 0.00 179.45 179.57 1y23 h ILE 12 N 0.00 1.29 -0.47 1.86 2.04 -0.88 0.82 117.51 122.17 1y23 h ILE 12 Ca -0.01 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.89 1y23 h ILE 12 Cb 1.00 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 1y23 h ILE 12 CO 0.07 0.61 0.17 0.40 0.00 0.00 0.00 178.15 179.40 1y23 h ILE 13 N 0.49 1.21 0.00 -0.67 2.04 -1.07 -2.48 117.51 117.03 1y23 h ILE 13 Ca -0.05 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1y23 h ILE 13 Cb 1.36 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1y23 h ILE 13 CO 0.15 0.25 -0.22 0.00 0.00 0.00 0.00 178.15 178.33 1y23 h ALA 14 N 1.02 1.11 0.00 1.87 0.00 -1.11 -3.47 119.26 118.68 1y23 h ALA 14 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y23 h ALA 14 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y23 h ALA 14 CO -0.01 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1y23 n GLY 15 N -0.13 0.77 0.13 0.00 0.00 -0.80 -4.99 105.19 100.16 1y23 n GLY 15 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.34 -3.11 1.61 3.32 -1.10 -3.42 116.42 114.05 1y23 h ASP 16 Ca 0.00 -0.48 -0.62 0.00 0.02 0.00 0.00 57.03 55.96 1y23 h ASP 16 Cb 0.00 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.35 1y23 h ASP 16 CO 0.00 0.74 -0.47 -0.63 -1.72 0.00 0.00 179.24 177.17 1y23 s ILE 17 N -4.31 5.42 0.82 0.35 1.01 -1.05 -5.01 121.20 118.43 1y23 s ILE 17 Ca -0.14 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1y23 s ILE 17 Cb 0.05 -3.47 0.09 0.00 0.01 0.00 0.00 42.46 39.13 1y23 s ILE 17 CO 0.74 0.48 1.10 -2.16 0.00 0.00 0.00 174.94 175.10 1y23 s PRO 18 N -0.00 1.84 0.03 2.79 0.04 -1.26 -4.44 135.00 133.99 1y23 s PRO 18 Ca 0.11 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 62.00 1y23 s PRO 18 Cb -0.12 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.65 1y23 s PRO 18 CO 0.00 -1.92 0.68 -1.54 0.04 0.00 0.00 177.00 174.26 1y23 s SER 19 N -3.31 -0.59 -1.05 6.66 1.04 -1.26 -5.01 113.70 110.19 1y23 s SER 19 Ca 0.62 0.38 -0.17 0.00 0.48 0.00 0.00 55.95 57.26 1y23 s SER 19 Cb -0.18 0.54 0.15 0.00 0.10 0.00 0.00 66.02 66.63 1y23 s SER 19 CO 0.57 -0.74 1.26 0.00 0.98 0.00 0.00 173.24 175.31 1y23 s ALA 20 N -2.31 3.62 0.12 5.32 0.00 -1.26 -4.99 121.76 122.25 1y23 s ALA 20 Ca -0.05 -3.01 -0.31 0.00 0.00 0.00 0.00 51.96 48.59 1y23 s ALA 20 Cb -0.00 -4.09 -0.10 0.00 0.00 0.00 0.00 23.12 18.93 1y23 s ALA 20 CO -0.01 -2.91 1.70 0.15 0.00 0.00 0.00 175.76 174.70 1y23 s LYS 21 N 2.27 4.17 -0.18 0.00 1.02 -1.26 -2.00 119.74 123.76 1y23 s LYS 21 Ca 0.37 2.45 0.07 0.00 0.02 0.00 0.00 55.97 58.89 1y23 s LYS 21 Cb -0.04 -3.46 -0.16 0.00 -0.52 0.00 0.00 37.83 33.65 1y23 s LYS 21 CO -0.05 -0.75 -0.07 0.28 -0.92 0.00 0.00 175.35 173.84 1y23 n VAL 22 N 4.51 1.10 -3.67 3.17 0.31 0.68 -4.95 118.33 119.48 1y23 n VAL 22 Ca 0.16 -0.54 -0.15 0.00 -0.01 0.00 0.00 64.34 63.80 1y23 n VAL 22 Cb 0.39 -0.91 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 1y23 n VAL 22 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1y23 s TYR 23 N -2.38 -0.44 -0.28 3.52 5.04 -0.79 -4.97 117.35 117.05 1y23 s TYR 23 Ca -0.17 0.88 -0.19 0.00 -2.44 0.00 0.00 57.07 55.14 1y23 s TYR 23 Cb 0.06 0.21 0.08 0.00 0.35 0.00 0.00 41.96 42.67 1y23 s TYR 23 CO 0.54 -0.41 0.73 -2.00 -1.34 0.00 0.00 175.55 173.08 1y23 s GLU 24 N -0.74 0.72 0.00 4.97 2.12 -1.26 -0.39 118.70 124.12 1y23 s GLU 24 Ca -0.08 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.34 1y23 s GLU 24 Cb -0.03 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1y23 s GLU 24 CO 0.05 -0.13 0.00 -0.40 -0.54 0.00 0.00 175.26 174.24 1y23 n ASP 25 N 3.68 0.00 -0.18 -1.70 3.85 -0.40 -5.01 116.55 116.80 1y23 n ASP 25 Ca -0.18 -0.21 -0.01 0.00 -0.71 0.00 0.00 54.79 53.68 1y23 n ASP 25 Cb 0.58 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.42 1y23 n ASP 25 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1y23 h GLU 26 N 0.00 0.09 0.00 0.11 4.39 -2.01 -3.31 114.58 113.85 1y23 h GLU 26 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1y23 h GLU 26 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1y23 h GLU 26 CO 0.00 0.06 0.00 0.72 -1.16 0.00 0.00 179.01 178.63 1y23 n HIS 27 N -5.28 0.00 -4.36 4.33 8.25 -1.26 -4.91 115.22 111.99 1y23 n HIS 27 Ca 0.07 -0.22 -0.19 0.00 -0.26 0.00 0.00 57.72 57.12 1y23 n HIS 27 Cb 0.30 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.45 0.76 -0.05 1.59 1.01 -1.25 0.01 120.40 122.03 1y23 s VAL 28 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1y23 s VAL 28 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1y23 s VAL 28 CO 0.00 0.15 -0.05 -0.22 0.00 0.00 0.00 175.10 174.98 1y23 s LEU 29 N -0.40 1.34 -0.03 3.92 2.96 -0.35 -1.28 118.68 124.85 1y23 s LEU 29 Ca 0.03 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1y23 s LEU 29 Cb -0.04 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 1y23 s LEU 29 CO -0.00 -0.05 -0.18 0.00 -1.32 0.00 0.00 176.35 174.80 1y23 s ALA 30 N 0.91 1.51 0.10 5.97 0.00 0.48 -0.97 121.76 129.77 1y23 s ALA 30 Ca -0.11 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1y23 s ALA 30 Cb -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1y23 s ALA 30 CO 0.00 0.33 0.29 -0.59 0.00 0.00 0.00 175.76 175.79 1y23 s PHE 31 N -0.24 -0.02 0.48 0.00 -0.12 -0.37 -0.23 117.98 117.49 1y23 s PHE 31 Ca 0.03 -0.35 -0.23 0.00 -0.05 0.00 0.00 56.93 56.33 1y23 s PHE 31 Cb -0.09 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.33 1y23 s PHE 31 CO 0.00 -0.61 1.23 -0.51 -0.05 0.00 0.00 175.22 175.28 1y23 s LEU 32 N -2.81 3.97 -0.29 -1.99 1.43 -0.85 -0.05 118.68 118.09 1y23 s LEU 32 Ca 0.04 2.45 -0.20 0.00 -1.03 0.00 0.00 54.13 55.39 1y23 s LEU 32 Cb 0.03 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.00 1y23 s LEU 32 CO -0.11 -1.11 0.63 -0.62 0.23 0.00 0.00 176.35 175.36 1y23 s ASP 33 N -1.22 6.52 0.39 2.29 -1.08 -0.68 -4.75 116.67 118.14 1y23 s ASP 33 Ca 0.66 0.53 0.22 0.00 -0.52 0.00 0.00 52.55 53.44 1y23 s ASP 33 Cb -0.32 -2.33 1.21 0.00 -1.46 0.00 0.00 42.92 40.01 1y23 s ASP 33 CO 0.39 -0.44 1.65 0.16 0.52 0.00 0.00 175.17 177.45 1y23 h ILE 34 N 5.50 0.00 -0.03 4.11 3.07 -1.93 0.26 117.51 128.49 1y23 h ILE 34 Ca -0.27 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.03 1y23 h ILE 34 Cb 1.12 0.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.15 1y23 h ILE 34 CO 0.79 0.00 -0.52 0.28 -1.05 0.00 0.00 178.15 177.65 1y23 h SER 35 N 0.00 0.08 -6.84 2.16 0.02 -1.96 -3.47 113.55 103.53 1y23 h SER 35 Ca 0.00 -0.04 -0.58 0.00 -0.84 0.00 0.00 61.79 60.33 1y23 h SER 35 Cb 0.26 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1y23 h SER 35 CO 0.00 0.59 -1.00 0.00 -1.14 0.00 0.00 176.83 175.28 1y23 n GLN 36 N -3.92 -0.48 0.08 3.45 1.13 0.93 -4.77 117.38 113.80 1y23 n GLN 36 Ca -0.02 0.13 0.21 0.00 -1.94 0.00 0.00 57.00 55.38 1y23 n GLN 36 Cb 0.54 -2.85 0.72 0.00 0.11 0.00 0.00 30.24 28.76 1y23 n GLN 36 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 1y23 h VAL 37 N -2.48 0.30 -3.41 5.09 -1.51 -1.92 -3.40 116.25 108.93 1y23 h VAL 37 Ca -0.70 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.69 1y23 h VAL 37 Cb 1.40 0.58 -0.15 0.00 -2.13 0.00 0.00 31.29 30.99 1y23 h VAL 37 CO 0.53 0.00 -0.20 0.42 -1.23 0.00 0.00 177.57 177.09 1y23 s THR 38 N -4.55 0.09 0.06 7.19 -4.23 -1.26 -0.74 115.64 112.20 1y23 s THR 38 Ca -0.04 -0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 59.44 1y23 s THR 38 Cb 0.15 -1.11 -0.08 0.00 1.34 0.00 0.00 72.50 72.80 1y23 s THR 38 CO 0.51 -0.40 1.64 -0.75 -0.54 0.00 0.00 174.62 175.09 1y23 s LYS 39 N -3.26 4.20 0.00 3.99 2.20 -1.26 -1.90 119.74 123.71 1y23 s LYS 39 Ca -0.00 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1y23 s LYS 39 Cb 0.01 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1y23 s LYS 39 CO -0.08 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 1y23 n GLY 40 N 3.98 0.33 3.72 5.54 0.00 -1.26 -4.71 105.19 112.79 1y23 n GLY 40 Ca 0.16 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.83 1.93 -4.39 1.61 -0.00 -0.80 -4.79 115.22 106.96 1y23 n HIS 41 Ca 0.00 0.72 -0.20 0.00 -0.00 0.00 0.00 57.72 58.25 1y23 n HIS 41 Cb 0.00 -2.38 -0.14 0.00 -0.00 0.00 0.00 29.99 27.47 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 3.25 0.96 -0.21 3.57 2.01 -0.67 -1.69 115.64 122.87 1y23 s THR 42 Ca 1.00 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 62.17 1y23 s THR 42 Cb -1.19 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1y23 s THR 42 CO 0.70 0.08 0.04 -0.76 -0.69 0.00 0.00 174.62 173.99 1y23 s LEU 43 N -0.78 3.46 -0.20 4.42 1.43 0.93 -0.07 118.68 127.87 1y23 s LEU 43 Ca 0.02 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1y23 s LEU 43 Cb -0.06 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1y23 s LEU 43 CO 0.00 0.07 -0.05 -0.69 0.23 0.00 0.00 176.35 175.91 1y23 s VAL 44 N 0.96 3.40 0.06 -1.59 1.01 -0.41 -1.24 120.40 122.59 1y23 s VAL 44 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1y23 s VAL 44 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1y23 s VAL 44 CO 0.02 0.45 -0.06 0.27 0.00 0.00 0.00 175.10 175.79 1y23 s ILE 45 N 1.16 0.45 0.15 2.22 -4.36 -0.14 -0.73 121.20 119.94 1y23 s ILE 45 Ca 0.02 -1.51 -0.26 0.00 -0.26 0.00 0.00 60.65 58.63 1y23 s ILE 45 Cb -0.14 -1.13 -0.07 0.00 1.25 0.00 0.00 42.46 42.36 1y23 s ILE 45 CO -0.01 -0.71 0.81 -2.16 0.24 0.00 0.00 174.94 173.11 1y23 s PRO 46 N -2.86 4.60 0.47 0.37 0.04 -1.26 -1.21 135.00 135.15 1y23 s PRO 46 Ca 0.00 1.21 0.13 0.00 0.04 0.00 0.00 61.00 62.38 1y23 s PRO 46 Cb -0.01 -3.30 1.09 0.00 0.04 0.00 0.00 34.50 32.33 1y23 s PRO 46 CO -0.04 0.47 2.08 0.87 0.04 0.00 0.00 177.00 180.43 1y23 h LYS 47 N 4.69 0.13 -6.49 4.56 1.57 -0.75 -3.40 116.57 116.87 1y23 h LYS 47 Ca -0.46 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.78 1y23 h LYS 47 Cb 1.21 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1y23 h LYS 47 CO 0.68 0.14 0.44 0.99 -0.57 0.00 0.00 179.45 181.12 1y23 s THR 48 N -5.04 4.43 -0.07 -0.16 2.01 -1.26 -4.98 115.64 110.57 1y23 s THR 48 Ca -0.05 1.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 1y23 s THR 48 Cb 0.17 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1y23 s THR 48 CO 0.69 0.19 1.31 -2.28 -0.69 0.00 0.00 174.62 173.84 1y23 s HIS 49 N 0.68 2.90 -0.06 4.92 2.46 -1.26 -4.99 115.29 119.95 1y23 s HIS 49 Ca 0.53 0.96 -0.05 0.00 0.47 0.00 0.00 55.06 56.98 1y23 s HIS 49 Cb -0.25 -3.55 0.02 0.00 -0.13 0.00 0.00 32.58 28.67 1y23 s HIS 49 CO 0.30 -1.94 0.15 0.96 -2.47 0.00 0.00 174.74 171.73 1y23 s ILE 50 N 2.77 -0.01 0.24 0.89 -4.36 -1.26 -5.07 121.20 114.39 1y23 s ILE 50 Ca 0.59 0.05 -0.04 0.00 -0.26 0.00 0.00 60.65 60.99 1y23 s ILE 50 Cb -0.26 -0.23 0.09 0.00 1.25 0.00 0.00 42.46 43.31 1y23 s ILE 50 CO 0.22 0.02 1.71 -0.08 0.24 0.00 0.00 174.94 177.05 1y23 h GLU 51 N 6.30 0.85 0.00 0.37 4.81 -1.93 0.32 114.58 125.29 1y23 h GLU 51 Ca -0.30 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1y23 h GLU 51 Cb 1.18 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1y23 h GLU 51 CO 0.42 0.87 0.21 0.27 -0.73 0.00 0.00 179.01 180.05 1y23 n ASN 52 N -4.19 -1.85 0.31 1.04 0.23 -1.26 -2.87 115.26 106.67 1y23 n ASN 52 Ca 0.02 -2.33 0.21 0.00 -0.53 0.00 0.00 54.58 51.95 1y23 n ASN 52 Cb 0.33 3.10 1.10 0.00 -2.08 0.00 0.00 39.78 42.24 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 1.82 0.00 0.00 3.53 3.04 -1.92 -2.28 116.25 120.44 1y23 h VAL 53 Ca -0.27 -0.01 -0.12 0.00 -1.01 0.00 0.00 66.70 65.28 1y23 h VAL 53 Cb 1.02 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 1y23 h VAL 53 CO 0.35 0.00 -0.59 1.88 -1.01 0.00 0.00 177.57 178.20 1y23 h TYR 54 N 0.00 0.00 -0.19 3.17 -1.99 -2.00 -3.16 116.97 112.80 1y23 h TYR 54 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1y23 h TYR 54 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1y23 h TYR 54 CO 0.00 0.59 0.00 0.39 -0.00 0.00 0.00 178.16 179.14 1y23 n GLU 55 N -3.64 1.50 -2.40 4.88 1.02 -0.86 -4.89 120.64 116.25 1y23 n GLU 55 Ca -0.01 -0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 56.03 1y23 n GLU 55 Cb 0.63 -1.20 -0.04 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.72 3.47 0.27 -0.32 0.40 -1.20 -5.02 117.98 113.88 1y23 s PHE 56 Ca 0.13 1.54 0.08 0.00 -0.60 0.00 0.00 56.93 58.08 1y23 s PHE 56 Cb 0.07 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 1y23 s PHE 56 CO 0.08 -0.96 0.16 0.95 0.70 0.00 0.00 175.22 176.15 1y23 s THR 57 N -0.58 3.95 0.18 0.64 -4.23 -1.26 -4.98 115.64 109.37 1y23 s THR 57 Ca 0.49 -1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 1y23 s THR 57 Cb -0.33 -3.20 0.08 0.00 1.34 0.00 0.00 72.50 70.39 1y23 s THR 57 CO 0.39 -0.32 1.78 0.44 -0.54 0.00 0.00 174.62 176.38 1y23 h ASP 58 N 1.56 0.36 -0.45 3.99 3.32 -1.98 0.27 116.42 123.47 1y23 h ASP 58 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1y23 h ASP 58 Cb 1.24 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1y23 h ASP 58 CO 0.60 0.25 0.30 -0.08 -1.72 0.00 0.00 179.24 178.59 1y23 h GLU 59 N 0.49 0.59 -0.17 3.56 4.57 -1.99 0.11 114.58 121.74 1y23 h GLU 59 Ca 0.22 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1y23 h GLU 59 Cb 0.13 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1y23 h GLU 59 CO -0.16 0.40 -0.29 1.25 -1.18 0.00 0.00 179.01 179.03 1y23 h LEU 60 N 0.61 0.33 -0.56 1.64 5.85 -1.90 -1.55 115.31 119.73 1y23 h LEU 60 Ca 0.16 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1y23 h LEU 60 Cb -0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1y23 h LEU 60 CO -0.04 0.62 -0.05 0.00 -0.34 0.00 0.00 178.44 178.63 1y23 h ALA 61 N 1.41 0.76 -0.57 1.25 0.00 -0.15 -2.21 119.26 119.76 1y23 h ALA 61 Ca 0.04 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1y23 h ALA 61 Cb 0.66 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1y23 h ALA 61 CO 0.05 0.63 0.04 -0.22 0.00 0.00 0.00 179.25 179.76 1y23 h LYS 62 N 0.91 0.95 -0.00 0.00 3.64 -0.43 -2.64 116.57 119.00 1y23 h LYS 62 Ca 0.15 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1y23 h LYS 62 Cb 0.61 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1y23 h LYS 62 CO 0.04 0.91 -0.00 1.04 -2.27 0.00 0.00 179.45 179.17 1y23 n GLN 63 N -4.21 1.20 -0.04 1.90 1.13 -0.62 -4.46 117.38 112.29 1y23 n GLN 63 Ca 0.03 -0.30 -0.07 0.00 -1.94 0.00 0.00 57.00 54.72 1y23 n GLN 63 Cb 0.30 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.14 1y23 n GLN 63 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1y23 n TYR 64 N -0.64 0.00 -0.31 1.08 9.36 -0.85 -4.67 117.16 121.13 1y23 n TYR 64 Ca 0.22 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.55 1y23 n TYR 64 Cb 0.19 -0.32 0.33 0.00 -0.63 0.00 0.00 39.34 38.91 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 -0.54 0.95 -0.56 2.98 3.57 -1.72 -2.77 116.94 118.85 1y23 h PHE 65 Ca -0.07 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.62 1y23 h PHE 65 Cb 0.68 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1y23 h PHE 65 CO -0.20 0.35 0.51 1.12 -2.23 0.00 0.00 178.31 177.86 1y23 h HIS 66 N 0.80 0.00 -0.00 0.41 2.07 -1.84 -0.59 115.15 115.99 1y23 h HIS 66 Ca 0.48 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.86 1y23 h HIS 66 Cb 0.66 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.62 1y23 h HIS 66 CO -0.00 0.00 -0.66 0.00 -3.07 0.00 0.00 177.93 174.20 1y23 h ALA 67 N 1.49 0.91 -0.22 6.11 0.00 -1.83 -3.26 119.26 122.46 1y23 h ALA 67 Ca 0.26 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1y23 h ALA 67 Cb 1.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1y23 h ALA 67 CO -0.00 0.82 0.13 0.28 0.00 0.00 0.00 179.25 180.47 1y23 h VAL 68 N 0.01 1.10 -0.10 0.00 2.07 -1.28 0.72 116.25 118.76 1y23 h VAL 68 Ca -0.01 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1y23 h VAL 68 Cb 1.17 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1y23 h VAL 68 CO 0.09 0.09 -0.30 -0.65 0.02 0.00 0.00 177.57 176.81 1y23 h PRO 69 N 0.26 0.19 -0.28 1.57 0.11 -1.68 0.60 132.00 132.78 1y23 h PRO 69 Ca 0.08 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1y23 h PRO 69 Cb 0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1y23 h PRO 69 CO -0.01 0.48 -0.19 0.87 -0.21 0.00 0.00 178.00 178.94 1y23 h LYS 70 N 0.17 0.62 -0.43 1.05 1.57 -1.51 -1.84 116.57 116.20 1y23 h LYS 70 Ca 0.02 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.36 1y23 h LYS 70 Cb 0.63 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1y23 h LYS 70 CO 0.05 0.88 -0.31 0.82 -0.57 0.00 0.00 179.45 180.32 1y23 h ILE 71 N 0.35 1.27 -0.37 1.86 2.04 -0.66 -2.34 117.51 119.65 1y23 h ILE 71 Ca 0.05 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.47 1y23 h ILE 71 Cb 0.73 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1y23 h ILE 71 CO 0.05 0.50 0.15 0.00 0.00 0.00 0.00 178.15 178.85 1y23 h ALA 72 N 0.83 0.44 -0.58 1.87 0.00 -0.83 -0.69 119.26 120.31 1y23 h ALA 72 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1y23 h ALA 72 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1y23 h ALA 72 CO 0.08 -0.23 0.17 0.00 0.00 0.00 0.00 179.25 179.27 1y23 h ARG 73 N 0.32 0.87 -0.52 0.00 3.08 -1.23 0.32 114.38 117.23 1y23 h ARG 73 Ca 0.17 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1y23 h ARG 73 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1y23 h ARG 73 CO -0.15 0.76 0.05 0.00 -1.07 0.00 0.00 179.97 179.56 1y23 h ALA 74 N 1.34 0.69 0.00 0.04 0.00 -0.85 -0.37 119.26 120.12 1y23 h ALA 74 Ca 0.19 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1y23 h ALA 74 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1y23 h ALA 74 CO -0.01 0.46 -0.51 0.82 0.00 0.00 0.00 179.25 180.02 1y23 h ILE 75 N 0.76 1.36 0.07 0.00 2.04 -0.88 -1.44 117.51 119.41 1y23 h ILE 75 Ca 0.15 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 1y23 h ILE 75 Cb 0.45 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1y23 h ILE 75 CO 0.02 0.50 -0.03 -0.09 0.00 0.00 0.00 178.15 178.54 1y23 h ARG 76 N 0.00 -0.09 -0.08 2.37 2.43 -0.41 -2.27 114.38 116.33 1y23 h ARG 76 Ca -0.01 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1y23 h ARG 76 Cb 0.90 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1y23 h ARG 76 CO 0.07 0.24 -0.52 -0.44 -1.51 0.00 0.00 179.97 177.80 1y23 h ASP 77 N -0.41 0.24 -0.04 -3.80 3.32 -1.02 0.64 116.42 115.34 1y23 h ASP 77 Ca -0.01 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1y23 h ASP 77 Cb 0.36 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1y23 h ASP 77 CO 0.02 0.71 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.96 1y23 h GLU 78 N 0.17 0.21 -0.01 3.56 4.57 -1.29 -3.37 114.58 118.41 1y23 h GLU 78 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1y23 h GLU 78 Cb 0.97 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1y23 h GLU 78 CO 0.08 0.83 -0.34 1.19 -1.18 0.00 0.00 179.01 179.59 1y23 n PHE 79 N -4.55 0.00 -4.09 0.92 3.01 -0.86 -5.02 117.46 106.87 1y23 n PHE 79 Ca -0.09 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.02 1y23 n PHE 79 Cb 0.44 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.89 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 -0.08 -1.19 -1.31 -1.08 1.02 0.22 -4.93 120.64 113.28 1y23 n GLU 80 Ca 0.07 0.19 -0.29 0.00 -0.02 0.00 0.00 57.16 57.11 1y23 n GLU 80 Cb 0.36 -3.47 0.15 0.00 -0.02 0.00 0.00 31.44 28.46 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 -7.08 0.89 -0.03 3.49 0.04 -1.26 -4.95 135.00 126.10 1y23 s PRO 81 Ca 0.22 0.50 0.19 0.00 0.04 0.00 0.00 61.00 61.96 1y23 s PRO 81 Cb -0.11 -1.79 0.61 0.00 0.04 0.00 0.00 34.50 33.24 1y23 s PRO 81 CO 0.95 -2.42 1.51 0.44 0.04 0.00 0.00 177.00 177.52 1y23 n ILE 82 N -3.95 1.09 0.00 0.56 -5.35 -0.67 -4.98 119.36 106.06 1y23 n ILE 82 Ca 0.06 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 1y23 n ILE 82 Cb 0.57 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 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 1.43 -0.15 3.64 3.28 0.00 -1.18 -4.98 105.19 107.24 1y23 n GLY 83 Ca 0.23 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.44 0.25 0.99 0.20 -1.26 -1.28 118.68 117.14 1y23 s LEU 84 Ca 0.00 0.82 0.09 0.00 0.69 0.00 0.00 54.13 55.73 1y23 s LEU 84 Cb 0.00 1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 47.53 1y23 s LEU 84 CO 0.00 -0.14 -0.14 0.20 -0.29 0.00 0.00 176.35 175.98 1y23 s ASN 85 N 0.39 3.01 -0.06 3.68 -0.87 -0.32 -4.97 114.94 115.81 1y23 s ASN 85 Ca 0.02 -1.07 0.02 0.00 -1.57 0.00 0.00 52.86 50.25 1y23 s ASN 85 Cb -0.05 -0.21 0.02 0.00 -0.02 0.00 0.00 41.25 40.99 1y23 s ASN 85 CO -0.08 -0.14 -0.10 0.42 -2.57 0.00 0.00 177.10 174.63 1y23 s THR 86 N -2.81 0.96 -0.03 1.60 -4.23 -1.25 -0.69 115.64 109.19 1y23 s THR 86 Ca 0.27 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 1y23 s THR 86 Cb -0.01 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.94 1y23 s THR 86 CO 0.11 0.32 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.24 1y23 s LEU 87 N 0.79 1.48 -0.07 4.79 2.96 -0.20 -4.93 118.68 123.51 1y23 s LEU 87 Ca -0.13 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1y23 s LEU 87 Cb -0.15 -0.41 -0.00 0.00 0.50 0.00 0.00 46.19 46.13 1y23 s LEU 87 CO 0.02 -0.02 -0.22 0.21 -1.32 0.00 0.00 176.35 175.02 1y23 s ASN 88 N 0.67 2.75 -0.12 3.68 3.04 -1.26 -0.17 114.94 123.52 1y23 s ASN 88 Ca -0.09 -0.47 0.02 0.00 0.04 0.00 0.00 52.86 52.36 1y23 s ASN 88 Cb -0.12 -0.96 -0.00 0.00 -1.54 0.00 0.00 41.25 38.63 1y23 s ASN 88 CO 0.00 0.18 -0.19 0.20 -3.04 0.00 0.00 177.10 174.25 1y23 s ASN 89 N 0.12 3.50 -0.24 -4.21 0.01 -1.26 -5.07 114.94 107.78 1y23 s ASN 89 Ca -0.09 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.60 1y23 s ASN 89 Cb -0.15 -1.51 0.06 0.00 0.41 0.00 0.00 41.25 40.07 1y23 s ASN 89 CO 0.05 0.14 -0.06 0.20 -1.51 0.00 0.00 177.10 175.92 1y23 s ASN 90 N 0.46 3.96 0.00 -1.22 0.01 -1.26 -4.50 114.94 112.39 1y23 s ASN 90 Ca -0.13 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 50.80 1y23 s ASN 90 Cb -0.17 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.25 1y23 s ASN 90 CO 0.05 -0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 1y23 n GLY 91 N 4.63 2.47 0.37 0.66 0.00 -1.26 -4.38 105.19 107.68 1y23 n GLY 91 Ca -0.12 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.36 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 0.97 0.00 1.61 4.81 -1.95 0.12 114.58 120.14 1y23 h GLU 92 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1y23 h GLU 92 Cb 0.00 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1y23 h GLU 92 CO 0.00 0.64 0.00 1.63 -0.73 0.00 0.00 179.01 180.55 1y23 n LYS 93 N -4.57 0.03 0.00 1.92 4.76 -1.26 -1.98 118.16 117.06 1y23 n LYS 93 Ca 0.17 0.26 0.11 0.00 -2.87 0.00 0.00 58.31 55.98 1y23 n LYS 93 Cb 0.32 -1.56 0.07 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.54 2.69 0.00 7.82 0.00 0.33 -4.94 120.51 124.86 1y23 n ALA 94 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1y23 n ALA 94 Cb 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.26 0.71 3.60 0.00 0.00 -0.84 -4.61 105.19 105.31 1y23 n GLY 95 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.59 3.50 -0.17 1.61 0.74 -0.70 -4.84 119.66 119.21 1y23 s GLN 96 Ca 0.00 1.29 0.11 0.00 0.05 0.00 0.00 55.36 56.81 1y23 s GLN 96 Cb 0.00 -4.11 -0.23 0.00 1.10 0.00 0.00 33.01 29.77 1y23 s GLN 96 CO 0.00 -1.66 0.17 -1.13 -0.55 0.00 0.00 175.29 172.12 1y23 n SER 97 N 9.45 0.82 -4.14 6.67 3.41 -1.26 -4.12 113.62 124.46 1y23 n SER 97 Ca 0.20 0.09 -0.33 0.00 -0.26 0.00 0.00 58.87 58.56 1y23 n SER 97 Cb 0.47 0.28 -0.16 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.53 2.14 -1.43 -3.33 1.01 -1.26 -5.05 120.40 109.95 1y23 s VAL 98 Ca -0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1y23 s VAL 98 Cb 0.07 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.61 1y23 s VAL 98 CO 0.77 0.53 2.32 0.49 0.00 0.00 0.00 175.10 179.22 1y23 n PHE 99 N 4.56 2.98 -3.59 5.22 3.72 -1.26 -4.72 117.46 124.38 1y23 n PHE 99 Ca -0.21 -2.93 -0.09 0.00 -0.05 0.00 0.00 57.45 54.18 1y23 n PHE 99 Cb 0.50 -2.27 -0.09 0.00 -0.94 0.00 0.00 39.48 36.68 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 1.56 -0.80 0.13 1.38 2.46 -1.19 -4.34 115.29 114.49 1y23 s HIS 100 Ca 0.51 1.36 -0.33 0.00 0.47 0.00 0.00 55.06 57.08 1y23 s HIS 100 Cb 0.14 0.24 -0.18 0.00 -0.13 0.00 0.00 32.58 32.65 1y23 s HIS 100 CO -0.06 -0.53 0.78 0.98 -2.47 0.00 0.00 174.74 173.43 1y23 n TYR 101 N 5.38 0.09 -3.58 3.88 9.36 0.11 -4.90 117.16 127.50 1y23 n TYR 101 Ca -0.07 0.97 -0.17 0.00 3.32 0.00 0.00 57.90 61.96 1y23 n TYR 101 Cb 0.50 -2.04 -0.07 0.00 -0.63 0.00 0.00 39.34 37.10 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 -0.58 -0.55 -0.18 2.98 -3.43 -1.26 -4.39 115.29 107.88 1y23 s HIS 102 Ca 0.74 0.95 -0.01 0.00 -0.80 0.00 0.00 55.06 55.94 1y23 s HIS 102 Cb -1.04 0.33 -0.00 0.00 -1.43 0.00 0.00 32.58 30.44 1y23 s HIS 102 CO 0.56 -0.54 -0.12 1.41 -2.00 0.00 0.00 174.74 174.04 1y23 s MET 103 N -1.15 3.24 -0.18 -0.38 1.75 0.09 -4.49 119.30 118.19 1y23 s MET 103 Ca -0.11 -0.72 -0.25 0.00 -1.25 0.00 0.00 55.69 53.36 1y23 s MET 103 Cb -0.01 -2.74 -0.01 0.00 2.84 0.00 0.00 34.83 34.90 1y23 s MET 103 CO 0.08 -0.08 0.85 -1.01 -0.65 0.00 0.00 175.02 174.21 1y23 s HIS 104 N 1.08 3.40 -0.34 4.11 3.76 0.76 -1.29 115.29 126.77 1y23 s HIS 104 Ca 0.00 1.25 -0.08 0.00 -0.15 0.00 0.00 55.06 56.09 1y23 s HIS 104 Cb -0.14 -3.04 0.03 0.00 1.11 0.00 0.00 32.58 30.54 1y23 s HIS 104 CO -0.03 -0.28 0.13 0.42 -0.85 0.00 0.00 174.74 174.13 1y23 s ILE 105 N 2.31 4.01 -0.33 0.60 1.01 0.90 -1.03 121.20 128.68 1y23 s ILE 105 Ca 0.38 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1y23 s ILE 105 Cb -0.16 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.14 1y23 s ILE 105 CO 0.11 -0.15 0.05 -0.63 0.00 0.00 0.00 174.94 174.32 1y23 s ILE 106 N 1.46 2.94 0.45 2.92 1.01 0.13 -1.66 121.20 128.44 1y23 s ILE 106 Ca -0.00 -1.68 -0.23 0.00 0.00 0.00 0.00 60.65 58.74 1y23 s ILE 106 Cb -0.19 -2.83 -0.08 0.00 0.01 0.00 0.00 42.46 39.37 1y23 s ILE 106 CO 0.04 -0.31 1.10 -2.16 0.00 0.00 0.00 174.94 173.61 1y23 s PRO 107 N 1.18 3.87 -0.08 2.79 0.04 -1.26 -1.18 135.00 140.36 1y23 s PRO 107 Ca -0.00 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1y23 s PRO 107 Cb -0.20 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1y23 s PRO 107 CO -0.03 -0.42 -0.14 1.03 0.04 0.00 0.00 177.00 177.48 1y23 s ARG 108 N -2.76 2.84 0.00 4.56 1.81 -0.41 -4.80 118.95 120.19 1y23 s ARG 108 Ca 0.63 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 1y23 s ARG 108 Cb -0.24 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 1y23 s ARG 108 CO 0.29 0.46 0.27 0.66 -0.68 0.00 0.00 175.30 176.30 1y23 n TYR 109 N 2.78 0.00 0.00 -0.53 4.02 -1.26 -1.67 117.16 120.50 1y23 n TYR 109 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 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 0.34 0.97 3.68 2.72 0.00 -1.26 -4.88 105.19 106.75 1y23 n GLY 110 Ca 0.00 -1.26 -0.52 0.00 0.00 0.00 0.00 46.02 44.23 1y23 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y23 n LYS 111 N 0.73 1.60 0.00 1.61 5.02 -1.26 -1.11 118.16 124.76 1y23 n LYS 111 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1y23 n LYS 111 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1y23 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y23 n GLY 112 N 3.96 2.21 3.67 0.72 0.00 -1.26 -5.05 105.19 109.44 1y23 n GLY 112 Ca 0.23 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.77 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 3.15 0.00 1.61 8.00 -0.26 -4.84 116.55 124.20 1y23 n ASP 113 Ca 0.00 1.04 0.12 0.00 0.71 0.00 0.00 54.79 56.66 1y23 n ASP 113 Cb 0.00 -1.38 0.60 0.00 -0.02 0.00 0.00 41.12 40.32 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 3.82 -1.19 3.45 0.44 0.00 0.08 -4.75 105.19 107.03 1y23 n GLY 114 Ca 0.20 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.72 2.58 -0.11 1.61 5.36 -1.26 -4.97 117.98 118.47 1y23 s PHE 115 Ca 0.20 -0.25 -0.30 0.00 -0.96 0.00 0.00 56.93 55.62 1y23 s PHE 115 Cb 0.17 -1.53 0.09 0.00 -0.34 0.00 0.00 43.02 41.42 1y23 s PHE 115 CO 0.41 0.19 0.82 0.20 -1.46 0.00 0.00 175.22 175.38 1y23 s GLY 116 N -1.09 -0.44 -0.19 13.12 0.00 -1.26 -5.10 107.32 112.36 1y23 s GLY 116 Ca 0.13 1.69 -0.06 0.00 0.00 0.00 0.00 44.72 46.47 1y23 s GLY 116 CO 0.03 1.06 0.04 0.00 0.00 0.00 0.00 173.10 174.22 1y23 s ALA 117 N -1.03 3.25 -0.24 3.20 0.00 -1.26 -5.07 121.76 120.61 1y23 s ALA 117 Ca -0.06 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 1y23 s ALA 117 Cb -0.01 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1y23 s ALA 117 CO 0.06 0.06 0.87 0.08 0.00 0.00 0.00 175.76 176.82 1y23 s VAL 118 N 0.61 4.81 -0.21 0.00 1.01 -1.26 -5.01 120.40 120.34 1y23 s VAL 118 Ca 0.02 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.66 1y23 s VAL 118 Cb -0.13 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.14 1y23 s VAL 118 CO 0.02 -0.10 -0.12 0.86 0.00 0.00 0.00 175.10 175.76 1y23 s TRP 119 N 2.91 2.72 -0.28 5.22 -0.11 -1.26 -5.08 118.94 123.07 1y23 s TRP 119 Ca 0.37 -1.82 0.02 0.00 1.22 0.00 0.00 56.10 55.89 1y23 s TRP 119 Cb -0.15 -1.77 0.07 0.00 -1.50 0.00 0.00 33.47 30.12 1y23 s TRP 119 CO 0.07 -0.80 -0.03 0.15 -4.62 0.00 0.00 176.95 171.72 1y23 s LYS 120 N 1.29 1.72 0.39 5.86 1.02 -1.26 -5.11 119.74 123.66 1y23 s LYS 120 Ca -0.03 -1.36 -0.24 0.00 0.02 0.00 0.00 55.97 54.37 1y23 s LYS 120 Cb -0.17 -2.81 -0.09 0.00 -0.52 0.00 0.00 37.83 34.24 1y23 s LYS 120 CO -0.08 -0.71 1.02 0.99 -0.92 0.00 0.00 175.35 175.65 1y23 s THR 121 N 1.18 3.90 -0.28 2.17 2.01 -1.26 -4.99 115.64 118.37 1y23 s THR 121 Ca -0.01 1.42 0.21 0.00 0.31 0.00 0.00 61.69 63.62 1y23 s THR 121 Cb -0.19 -3.72 0.49 0.00 0.01 0.00 0.00 72.50 69.09 1y23 s THR 121 CO -0.08 -0.02 1.07 1.41 -0.69 0.00 0.00 174.62 176.31 1y23 n HIS 122 N -0.08 1.15 -0.07 4.92 8.25 -1.26 -4.94 115.22 123.20 1y23 n HIS 122 Ca 0.05 -2.34 -0.03 0.00 -0.26 0.00 0.00 57.72 55.14 1y23 n HIS 122 Cb 0.50 -0.24 0.22 0.00 1.12 0.00 0.00 29.99 31.59 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 2.71 1.22 0.00 -1.41 0.00 -1.95 -2.59 119.26 117.23 1y23 h ALA 123 Ca -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y23 h ALA 123 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1y23 h ALA 123 CO 0.28 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.79 1y23 n ASP 124 N -4.24 0.00 -0.35 0.00 8.00 -1.26 -2.75 116.55 115.95 1y23 n ASP 124 Ca 0.02 -0.66 0.13 0.00 0.71 0.00 0.00 54.79 55.00 1y23 n ASP 124 Cb 0.27 -0.05 0.44 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.05 1.23 -4.08 -2.24 9.92 -0.98 -4.88 116.55 114.48 1y23 n ASP 125 Ca 0.17 -1.15 -0.18 0.00 -0.53 0.00 0.00 54.79 53.10 1y23 n ASP 125 Cb 0.10 0.07 -0.13 0.00 -0.64 0.00 0.00 41.12 40.52 1y23 n ASP 125 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1y23 s TYR 126 N -2.28 0.94 0.25 1.24 1.51 -1.11 -5.15 117.35 112.75 1y23 s TYR 126 Ca 0.30 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 1y23 s TYR 126 Cb 0.20 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 1y23 s TYR 126 CO 0.44 -0.00 0.38 0.15 -1.11 0.00 0.00 175.55 175.41 1y23 s LYS 127 N -0.94 3.45 0.49 -0.62 1.02 -1.26 -4.98 119.74 116.89 1y23 s LYS 127 Ca -0.01 -0.67 0.22 0.00 0.02 0.00 0.00 55.97 55.54 1y23 s LYS 127 Cb -0.07 -2.86 1.27 0.00 -0.52 0.00 0.00 37.83 35.65 1y23 s LYS 127 CO 0.01 0.39 1.94 -1.00 -0.92 0.00 0.00 175.35 175.77 1y23 h PRO 128 N 1.21 0.17 -0.04 -1.68 0.13 -2.01 0.19 132.00 129.98 1y23 h PRO 128 Ca -0.51 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.45 1y23 h PRO 128 Cb 1.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1y23 h PRO 128 CO 0.62 0.11 -0.70 0.93 -0.23 0.00 0.00 178.00 178.73 1y23 h GLU 129 N 0.17 0.20 -0.49 0.86 5.08 -2.00 -2.96 114.58 115.44 1y23 h GLU 129 Ca 0.34 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1y23 h GLU 129 Cb 1.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1y23 h GLU 129 CO -0.06 0.82 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.16 1y23 h ASP 130 N 0.13 0.98 -0.36 1.42 3.45 -1.35 -1.54 116.42 119.15 1y23 h ASP 130 Ca -0.02 -0.35 -0.07 0.00 0.43 0.00 0.00 57.03 57.03 1y23 h ASP 130 Cb 1.24 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.72 1y23 h ASP 130 CO 0.11 1.13 0.01 -0.07 -1.57 0.00 0.00 179.24 178.85 1y23 h LEU 131 N 0.85 0.70 -0.46 1.55 3.38 -1.45 0.61 115.31 120.48 1y23 h LEU 131 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1y23 h LEU 131 Cb 0.73 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1y23 h LEU 131 CO 0.06 0.76 0.00 1.56 0.09 0.00 0.00 178.44 180.91 1y23 h GLN 132 N 0.69 0.81 -0.24 1.13 7.50 -1.31 -0.16 115.11 123.53 1y23 h GLN 132 Ca 0.14 -0.26 -0.04 0.00 0.50 0.00 0.00 58.65 58.99 1y23 h GLN 132 Cb 0.41 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 1y23 h GLN 132 CO 0.02 0.87 -0.02 -0.91 -1.50 0.00 0.00 178.83 177.28 1y23 h ASN 133 N 0.66 0.43 -0.47 1.46 2.35 -0.82 0.32 115.58 119.51 1y23 h ASN 133 Ca 0.13 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1y23 h ASN 133 Cb 0.50 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1y23 h ASN 133 CO 0.02 0.66 0.20 0.40 -1.65 0.00 0.00 177.43 177.06 1y23 h ILE 134 N 0.20 1.20 0.10 2.81 2.04 -0.82 -1.03 117.51 122.00 1y23 h ILE 134 Ca 0.07 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1y23 h ILE 134 Cb 0.45 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1y23 h ILE 134 CO 0.02 0.23 -0.05 0.77 0.00 0.00 0.00 178.15 179.12 1y23 h SER 135 N 0.61 -0.11 -0.59 1.72 4.64 -0.99 -2.85 113.55 115.98 1y23 h SER 135 Ca 0.16 -0.29 0.10 0.00 -0.47 0.00 0.00 61.79 61.29 1y23 h SER 135 Cb 0.17 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.21 1y23 h SER 135 CO -0.02 0.24 0.17 -1.28 -0.87 0.00 0.00 176.83 175.07 1y23 h SER 136 N -0.48 0.11 -0.59 4.97 0.87 -0.88 0.04 113.55 117.60 1y23 h SER 136 Ca -0.01 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.74 1y23 h SER 136 Cb 0.39 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.38 1y23 h SER 136 CO 0.02 0.07 0.18 0.28 -0.53 0.00 0.00 176.83 176.85 1y23 h SER 137 N 0.32 0.13 -0.30 6.23 0.02 -1.15 -1.23 113.55 117.57 1y23 h SER 137 Ca 0.30 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1y23 h SER 137 Cb 0.41 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1y23 h SER 137 CO -0.35 0.08 0.06 0.40 -1.14 0.00 0.00 176.83 175.88 1y23 h ILE 138 N 0.34 1.23 0.00 3.27 2.04 -1.00 -2.91 117.51 120.48 1y23 h ILE 138 Ca 0.30 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1y23 h ILE 138 Cb 0.41 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1y23 h ILE 138 CO -0.34 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.05 1y23 h ALA 139 N 0.89 1.28 -0.65 1.87 0.00 -0.32 -2.70 119.26 119.63 1y23 h ALA 139 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1y23 h ALA 139 Cb 0.33 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y23 h ALA 139 CO 0.00 0.01 0.16 0.87 0.00 0.00 0.00 179.25 180.30 1y23 h LYS 140 N 0.00 1.04 -0.02 0.00 1.57 -1.04 -2.76 116.57 115.36 1y23 h LYS 140 Ca -0.00 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 1y23 h LYS 140 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1y23 h LYS 140 CO 0.00 0.93 -0.63 0.00 -0.57 0.00 0.00 179.45 179.19 1y23 h ARG 141 N 0.96 0.09 -1.59 3.15 3.08 -1.61 -3.13 114.38 115.34 1y23 h ARG 141 Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1y23 h ARG 141 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1y23 h ARG 141 CO 0.00 0.69 0.00 1.28 -1.07 0.00 0.00 179.97 180.87 1y23 n LEU 142 N -3.82 3.21 0.00 3.04 4.77 -1.04 -5.18 117.00 117.98 1y23 n LEU 142 Ca -0.02 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1y23 n LEU 142 Cb 0.63 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1y23 n LEU 142 CO 0.43 0.58 0.00 0.00 -1.33 0.00 0.00 177.39 177.07