#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 3.39 -4.47 4.31 5.03 -1.26 -4.93 115.26 117.33 1y23 n ASN 6 Ca 0.00 -3.69 -0.40 0.00 0.87 0.00 0.00 54.58 51.36 1y23 n ASN 6 Cb 0.00 -0.77 -0.11 0.00 -1.02 0.00 0.00 39.78 37.88 1y23 n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y23 h ILE 8 N 5.63 1.07 -0.10 0.00 2.10 -2.00 -1.71 117.51 122.49 1y23 h ILE 8 Ca -0.30 -0.30 -0.17 0.00 1.08 0.00 0.00 64.86 65.17 1y23 h ILE 8 Cb 1.14 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 1y23 h ILE 8 CO 0.64 0.09 -0.66 -0.26 -1.08 0.00 0.00 178.15 176.87 1y23 h PHE 9 N 0.04 0.53 -0.08 2.19 0.04 -1.99 -2.29 116.94 115.38 1y23 h PHE 9 Ca 0.01 -0.22 -0.09 0.00 2.80 0.00 0.00 57.97 60.46 1y23 h PHE 9 Cb 0.14 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1y23 h PHE 9 CO 0.00 0.95 -0.38 0.00 -0.60 0.00 0.00 178.31 178.28 1y23 h LYS 11 N 0.14 0.86 -0.24 0.00 1.79 -1.13 -1.02 116.57 116.97 1y23 h LYS 11 Ca 0.01 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 58.11 1y23 h LYS 11 Cb 0.74 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1y23 h LYS 11 CO 0.06 0.89 -0.35 0.82 -1.08 0.00 0.00 179.45 179.78 1y23 h ILE 12 N 0.73 1.29 -0.44 1.86 2.04 -1.11 0.34 117.51 122.21 1y23 h ILE 12 Ca 0.15 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 1y23 h ILE 12 Cb 0.48 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1y23 h ILE 12 CO 0.02 0.46 -0.16 0.40 0.00 0.00 0.00 178.15 178.87 1y23 h ILE 13 N 0.44 1.27 0.00 -0.67 2.04 -0.85 -2.47 117.51 117.26 1y23 h ILE 13 Ca 0.05 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1y23 h ILE 13 Cb 0.81 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1y23 h ILE 13 CO 0.07 0.44 -0.00 0.00 0.00 0.00 0.00 178.15 178.65 1y23 n ALA 14 N -2.50 2.28 -0.64 1.87 0.00 -0.41 -4.92 120.51 116.19 1y23 n ALA 14 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1y23 n ALA 14 Cb 0.41 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.30 0.68 0.23 0.00 0.00 0.04 -4.93 105.19 102.51 1y23 n GLY 15 Ca 0.06 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.32 1.61 3.32 -0.70 -3.42 116.42 112.91 1y23 h ASP 16 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1y23 h ASP 16 Cb 0.00 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.30 1y23 h ASP 16 CO 0.00 0.20 -0.75 0.27 -1.72 0.00 0.00 179.24 177.25 1y23 s ILE 17 N -4.04 0.53 0.90 0.35 -4.36 -1.19 -5.00 121.20 108.40 1y23 s ILE 17 Ca -0.02 -0.66 -0.11 0.00 -0.26 0.00 0.00 60.65 59.60 1y23 s ILE 17 Cb 0.13 -0.52 0.13 0.00 1.25 0.00 0.00 42.46 43.45 1y23 s ILE 17 CO 0.63 -0.11 1.10 -2.16 0.24 0.00 0.00 174.94 174.64 1y23 s PRO 18 N -0.84 1.20 0.08 0.37 0.04 -1.26 -4.38 135.00 130.21 1y23 s PRO 18 Ca -0.03 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1y23 s PRO 18 Cb -0.06 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.78 1y23 s PRO 18 CO 0.00 -2.35 0.80 -1.54 0.04 0.00 0.00 177.00 173.95 1y23 s SER 19 N -3.15 -0.40 -0.91 6.66 1.04 -1.26 -4.97 113.70 110.70 1y23 s SER 19 Ca 0.64 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 1y23 s SER 19 Cb -0.20 0.48 0.19 0.00 0.10 0.00 0.00 66.02 66.60 1y23 s SER 19 CO 0.58 -0.80 0.96 0.00 0.98 0.00 0.00 173.24 174.96 1y23 s ALA 20 N -3.38 3.88 0.24 5.32 0.00 -1.26 -5.03 121.76 121.53 1y23 s ALA 20 Ca 0.05 -3.17 -0.30 0.00 0.00 0.00 0.00 51.96 48.54 1y23 s ALA 20 Cb -0.01 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1y23 s ALA 20 CO -0.08 -2.55 1.24 0.15 0.00 0.00 0.00 175.76 174.51 1y23 s LYS 21 N 1.03 4.46 -0.00 0.00 1.02 -1.26 -1.58 119.74 123.41 1y23 s LYS 21 Ca 0.26 1.99 0.01 0.00 0.02 0.00 0.00 55.97 58.25 1y23 s LYS 21 Cb -0.08 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1y23 s LYS 21 CO -0.09 -0.10 0.01 1.33 -0.92 0.00 0.00 175.35 175.59 1y23 n VAL 22 N 1.86 0.02 -3.73 3.17 0.24 -0.43 -4.94 118.33 114.53 1y23 n VAL 22 Ca 0.03 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.34 62.17 1y23 n VAL 22 Cb 0.43 -0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.03 -0.36 -0.28 6.34 5.04 -1.05 -5.01 117.35 120.00 1y23 s TYR 23 Ca -0.00 0.77 -0.17 0.00 -2.44 0.00 0.00 57.07 55.23 1y23 s TYR 23 Cb 0.00 0.15 0.09 0.00 0.35 0.00 0.00 41.96 42.56 1y23 s TYR 23 CO 0.02 -0.32 0.76 -2.00 -1.34 0.00 0.00 175.55 172.67 1y23 s GLU 24 N -0.52 0.65 0.00 4.97 2.12 -1.26 -0.83 118.70 123.83 1y23 s GLU 24 Ca -0.06 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.35 1y23 s GLU 24 Cb -0.04 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1y23 s GLU 24 CO 0.03 -0.13 0.00 -0.40 -0.54 0.00 0.00 175.26 174.22 1y23 n ASP 25 N 4.04 0.34 0.06 -1.70 3.85 -0.66 -5.02 116.55 117.45 1y23 n ASP 25 Ca -0.19 0.00 -0.04 0.00 -0.71 0.00 0.00 54.79 53.85 1y23 n ASP 25 Cb 0.58 0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.53 1y23 n ASP 25 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1y23 h GLU 26 N 0.00 0.33 -0.00 0.11 4.81 -2.02 -3.35 114.58 114.47 1y23 h GLU 26 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1y23 h GLU 26 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1y23 h GLU 26 CO 0.00 0.71 -0.08 0.72 -0.73 0.00 0.00 179.01 179.63 1y23 n HIS 27 N -4.01 0.00 -4.59 0.92 8.25 -1.26 -4.91 115.22 109.62 1y23 n HIS 27 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1y23 n HIS 27 Cb 0.50 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.05 1.18 -0.03 1.59 1.01 -1.26 -0.38 120.40 121.47 1y23 s VAL 28 Ca 0.01 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1y23 s VAL 28 Cb 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1y23 s VAL 28 CO 0.07 0.23 -0.10 -0.22 0.00 0.00 0.00 175.10 175.08 1y23 s LEU 29 N -0.62 1.80 -0.02 3.92 2.96 -0.21 -1.66 118.68 124.85 1y23 s LEU 29 Ca 0.05 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1y23 s LEU 29 Cb -0.06 -0.60 -0.00 0.00 0.50 0.00 0.00 46.19 46.02 1y23 s LEU 29 CO 0.00 0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 175.01 1y23 s ALA 30 N 0.18 0.84 0.13 5.97 0.00 -0.01 -1.38 121.76 127.49 1y23 s ALA 30 Ca -0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1y23 s ALA 30 Cb -0.09 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1y23 s ALA 30 CO 0.01 0.16 0.36 -0.59 0.00 0.00 0.00 175.76 175.70 1y23 s PHE 31 N 0.03 -0.08 0.38 0.00 -0.12 -0.84 -1.31 117.98 116.03 1y23 s PHE 31 Ca -0.00 -0.27 -0.27 0.00 -0.05 0.00 0.00 56.93 56.34 1y23 s PHE 31 Cb -0.07 0.18 -0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1y23 s PHE 31 CO 0.00 -0.69 1.26 -0.51 -0.05 0.00 0.00 175.22 175.23 1y23 s LEU 32 N -2.83 4.27 -0.32 -1.99 1.43 -0.61 -0.86 118.68 117.76 1y23 s LEU 32 Ca 0.05 2.57 -0.26 0.00 -1.03 0.00 0.00 54.13 55.46 1y23 s LEU 32 Cb 0.02 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.39 1y23 s LEU 32 CO -0.10 -0.70 0.90 -0.62 0.23 0.00 0.00 176.35 176.06 1y23 s ASP 33 N -0.78 6.75 0.59 2.29 -1.08 -0.36 -4.77 116.67 119.31 1y23 s ASP 33 Ca 0.54 0.76 0.29 0.00 -0.52 0.00 0.00 52.55 53.63 1y23 s ASP 33 Cb -0.36 -2.46 1.57 0.00 -1.46 0.00 0.00 42.92 40.21 1y23 s ASP 33 CO 0.47 -0.75 1.99 0.40 0.52 0.00 0.00 175.17 177.80 1y23 h ILE 34 N 5.68 0.38 0.00 4.11 2.04 -1.93 0.75 117.51 128.54 1y23 h ILE 34 Ca -0.23 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1y23 h ILE 34 Cb 1.08 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1y23 h ILE 34 CO 0.95 0.00 -0.16 0.28 0.00 0.00 0.00 178.15 179.22 1y23 h SER 35 N 0.00 0.00 -6.87 1.72 0.02 -1.95 -3.47 113.55 103.01 1y23 h SER 35 Ca 0.14 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.55 1y23 h SER 35 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1y23 h SER 35 CO -0.00 0.16 -1.07 0.00 -1.14 0.00 0.00 176.83 174.77 1y23 n GLN 36 N -3.97 -0.94 -0.03 3.45 1.13 0.25 -4.80 117.38 112.48 1y23 n GLN 36 Ca -0.02 0.43 0.14 0.00 -1.94 0.00 0.00 57.00 55.61 1y23 n GLN 36 Cb 0.25 -2.30 0.57 0.00 0.11 0.00 0.00 30.24 28.87 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 -1.35 0.85 -3.75 5.09 2.07 -1.91 -3.41 116.25 113.84 1y23 h VAL 37 Ca -0.68 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.63 1y23 h VAL 37 Cb 1.40 0.59 -0.18 0.00 -1.52 0.00 0.00 31.29 31.59 1y23 h VAL 37 CO 0.43 0.04 -0.50 0.42 0.02 0.00 0.00 177.57 177.99 1y23 s THR 38 N -5.24 0.13 -0.01 2.57 -4.23 -1.26 -1.30 115.64 106.30 1y23 s THR 38 Ca -0.07 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1y23 s THR 38 Cb 0.19 -0.88 -0.08 0.00 1.34 0.00 0.00 72.50 73.07 1y23 s THR 38 CO 0.74 -0.58 1.88 -0.75 -0.54 0.00 0.00 174.62 175.37 1y23 s LYS 39 N -2.57 4.08 0.00 3.99 2.20 -1.26 -1.23 119.74 124.95 1y23 s LYS 39 Ca -0.05 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1y23 s LYS 39 Cb -0.01 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 1y23 s LYS 39 CO -0.04 -1.00 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 1y23 n GLY 40 N 4.50 0.53 3.57 5.54 0.00 -1.26 -4.75 105.19 113.32 1y23 n GLY 40 Ca 0.20 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.79 1.85 -4.34 1.61 -0.00 -0.36 -4.78 115.22 107.40 1y23 n HIS 41 Ca 0.00 0.37 -0.26 0.00 -0.00 0.00 0.00 57.72 57.83 1y23 n HIS 41 Cb 0.00 -2.51 -0.13 0.00 -0.00 0.00 0.00 29.99 27.36 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 5.38 1.98 -0.13 3.57 2.01 -0.29 -1.23 115.64 126.94 1y23 s THR 42 Ca 1.04 -1.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1y23 s THR 42 Cb -0.96 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1y23 s THR 42 CO 0.57 -0.02 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.64 1y23 s LEU 43 N -2.05 2.99 -0.21 4.42 1.43 -0.04 0.14 118.68 125.37 1y23 s LEU 43 Ca 0.11 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1y23 s LEU 43 Cb -0.10 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1y23 s LEU 43 CO 0.05 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 176.02 1y23 s VAL 44 N 0.15 2.56 0.11 -1.59 1.01 0.19 -1.99 120.40 120.83 1y23 s VAL 44 Ca -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1y23 s VAL 44 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1y23 s VAL 44 CO 0.04 0.42 -0.09 0.27 0.00 0.00 0.00 175.10 175.74 1y23 s ILE 45 N 1.34 0.89 0.44 2.22 -4.36 -0.48 -0.79 121.20 120.45 1y23 s ILE 45 Ca 0.04 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.44 1y23 s ILE 45 Cb -0.14 -1.61 -0.07 0.00 1.25 0.00 0.00 42.46 41.89 1y23 s ILE 45 CO -0.08 -0.74 0.83 -2.16 0.24 0.00 0.00 174.94 173.02 1y23 s PRO 46 N -3.47 3.81 0.21 0.37 0.04 -1.26 -1.05 135.00 133.65 1y23 s PRO 46 Ca 0.11 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.76 1y23 s PRO 46 Cb 0.02 -2.32 0.15 0.00 0.04 0.00 0.00 34.50 32.38 1y23 s PRO 46 CO -0.02 -0.11 1.49 0.87 0.04 0.00 0.00 177.00 179.28 1y23 h LYS 47 N 1.13 0.27 -6.88 4.56 1.57 -1.05 -3.44 116.57 112.72 1y23 h LYS 47 Ca -0.47 -0.21 -0.50 0.00 -1.87 0.00 0.00 60.65 57.60 1y23 h LYS 47 Cb 1.19 0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.57 1y23 h LYS 47 CO 0.63 0.86 0.47 0.99 -0.57 0.00 0.00 179.45 181.83 1y23 s THR 48 N -3.61 3.43 -0.85 -0.16 2.01 -1.26 -4.96 115.64 110.24 1y23 s THR 48 Ca -0.04 1.28 -0.25 0.00 0.31 0.00 0.00 61.69 62.99 1y23 s THR 48 Cb 0.11 -3.76 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1y23 s THR 48 CO 0.81 0.19 1.32 -2.28 -0.69 0.00 0.00 174.62 173.98 1y23 s HIS 49 N -1.35 2.43 -0.08 4.92 2.46 -1.26 -4.95 115.29 117.46 1y23 s HIS 49 Ca 0.51 -0.43 0.03 0.00 0.47 0.00 0.00 55.06 55.64 1y23 s HIS 49 Cb -0.29 -4.63 -0.02 0.00 -0.13 0.00 0.00 32.58 27.51 1y23 s HIS 49 CO 0.38 -1.98 -0.17 0.96 -2.47 0.00 0.00 174.74 171.45 1y23 s ILE 50 N 5.25 2.72 0.30 0.89 -4.36 -1.26 -5.03 121.20 119.70 1y23 s ILE 50 Ca 0.39 -0.82 0.07 0.00 -0.26 0.00 0.00 60.65 60.03 1y23 s ILE 50 Cb -0.05 -2.07 0.05 0.00 1.25 0.00 0.00 42.46 41.63 1y23 s ILE 50 CO 0.04 0.56 1.72 -0.33 0.24 0.00 0.00 174.94 177.17 1y23 h GLU 51 N 6.12 0.23 0.00 0.37 5.08 -1.93 0.36 114.58 124.81 1y23 h GLU 51 Ca -0.33 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 1y23 h GLU 51 Cb 1.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1y23 h GLU 51 CO 0.51 0.59 0.17 0.27 -1.00 0.00 0.00 179.01 179.55 1y23 n ASN 52 N -4.05 -1.71 0.26 1.42 0.23 -1.26 -3.10 115.26 107.07 1y23 n ASN 52 Ca -0.01 -2.27 0.11 0.00 -0.53 0.00 0.00 54.58 51.87 1y23 n ASN 52 Cb 0.46 2.87 0.72 0.00 -2.08 0.00 0.00 39.78 41.74 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 1.77 0.80 0.00 3.53 3.04 -1.93 -1.98 116.25 121.48 1y23 h VAL 53 Ca -0.26 -0.23 -0.06 0.00 -1.01 0.00 0.00 66.70 65.15 1y23 h VAL 53 Cb 0.96 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1y23 h VAL 53 CO 0.33 0.06 -0.26 1.88 -1.01 0.00 0.00 177.57 178.56 1y23 h TYR 54 N 0.00 0.00 -0.27 3.17 0.99 -2.00 -2.99 116.97 115.87 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 0.13 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.86 1y23 h TYR 54 CO 0.00 0.26 0.00 0.39 -0.00 0.00 0.00 178.16 178.81 1y23 n GLU 55 N -3.60 1.66 -2.55 4.88 1.02 -0.74 -4.89 120.64 116.41 1y23 n GLU 55 Ca -0.01 -0.97 -0.37 0.00 -0.02 0.00 0.00 57.16 55.79 1y23 n GLU 55 Cb 0.40 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.64 3.34 0.24 -0.32 0.40 -1.13 -4.98 117.98 113.89 1y23 s PHE 56 Ca 0.18 1.66 0.11 0.00 -0.60 0.00 0.00 56.93 58.28 1y23 s PHE 56 Cb 0.10 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.45 1y23 s PHE 56 CO 0.12 -0.54 -0.14 0.95 0.70 0.00 0.00 175.22 176.31 1y23 s THR 57 N -1.59 2.84 0.29 0.64 -4.23 -1.26 -4.99 115.64 107.34 1y23 s THR 57 Ca 0.55 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1y23 s THR 57 Cb -0.23 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.43 1y23 s THR 57 CO 0.29 -0.29 1.87 0.44 -0.54 0.00 0.00 174.62 176.39 1y23 h ASP 58 N 2.46 0.92 -0.07 3.99 3.32 -1.98 0.92 116.42 125.98 1y23 h ASP 58 Ca -0.43 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1y23 h ASP 58 Cb 1.24 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1y23 h ASP 58 CO 0.57 0.54 0.03 -0.08 -1.72 0.00 0.00 179.24 178.58 1y23 h GLU 59 N 1.02 0.10 -0.79 3.56 4.57 -2.00 -1.19 114.58 119.85 1y23 h GLU 59 Ca 0.45 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.57 1y23 h GLU 59 Cb 0.36 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 1y23 h GLU 59 CO -0.20 0.23 0.36 1.25 -1.18 0.00 0.00 179.01 179.47 1y23 h LEU 60 N -0.05 1.05 -1.04 1.64 5.85 -1.80 -2.06 115.31 118.91 1y23 h LEU 60 Ca 0.02 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1y23 h LEU 60 Cb 0.17 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1y23 h LEU 60 CO -0.00 0.90 0.65 0.00 -0.34 0.00 0.00 178.44 179.64 1y23 h ALA 61 N 1.26 1.36 -0.52 1.25 0.00 -0.58 -0.98 119.26 121.06 1y23 h ALA 61 Ca 0.27 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1y23 h ALA 61 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1y23 h ALA 61 CO -0.03 0.55 0.00 -0.22 0.00 0.00 0.00 179.25 179.55 1y23 h LYS 62 N 1.25 0.87 0.00 0.00 3.64 -0.53 -2.76 116.57 119.03 1y23 h LYS 62 Ca 0.39 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1y23 h LYS 62 Cb -0.00 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1y23 h LYS 62 CO -0.12 0.86 0.00 1.96 -2.27 0.00 0.00 179.45 179.88 1y23 h GLN 63 N 0.80 0.00 0.00 1.90 4.20 -0.86 -3.42 115.11 117.74 1y23 h GLN 63 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1y23 h GLN 63 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1y23 h GLN 63 CO 0.02 0.00 -0.05 0.98 -0.67 0.00 0.00 178.83 179.11 1y23 n TYR 64 N -2.31 0.02 -0.39 2.96 9.36 -0.46 -4.66 117.16 121.68 1y23 n TYR 64 Ca 0.05 0.01 0.31 0.00 3.32 0.00 0.00 57.90 61.59 1y23 n TYR 64 Cb 0.40 -0.12 0.60 0.00 -0.63 0.00 0.00 39.34 39.59 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 -0.06 0.51 -0.22 2.98 3.57 -1.77 -1.80 116.94 120.16 1y23 h PHE 65 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1y23 h PHE 65 Cb 0.05 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1y23 h PHE 65 CO -0.02 -0.06 0.19 1.12 -2.23 0.00 0.00 178.31 177.31 1y23 h HIS 66 N 0.21 0.00 0.00 0.41 2.07 -1.84 -0.93 115.15 115.07 1y23 h HIS 66 Ca 0.70 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 58.14 1y23 h HIS 66 Cb 2.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 32.08 1y23 h HIS 66 CO -0.00 0.00 -0.39 0.00 -3.07 0.00 0.00 177.93 174.47 1y23 h ALA 67 N 1.82 1.00 0.34 6.11 0.00 -1.63 -3.33 119.26 123.57 1y23 h ALA 67 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1y23 h ALA 67 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y23 h ALA 67 CO -0.00 0.48 -0.16 0.28 0.00 0.00 0.00 179.25 179.85 1y23 h VAL 68 N 0.00 0.68 -0.86 0.00 2.07 -1.33 -1.71 116.25 115.10 1y23 h VAL 68 Ca -0.00 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1y23 h VAL 68 Cb 0.90 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1y23 h VAL 68 CO 0.05 0.04 0.56 -0.65 0.02 0.00 0.00 177.57 177.59 1y23 h PRO 69 N -0.56 0.86 -0.25 1.57 0.11 -1.69 0.54 132.00 132.58 1y23 h PRO 69 Ca -0.05 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1y23 h PRO 69 Cb 0.41 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1y23 h PRO 69 CO 0.08 0.57 0.07 0.87 -0.21 0.00 0.00 178.00 179.37 1y23 h LYS 70 N 0.89 0.40 -0.44 1.05 1.57 -1.63 -0.43 116.57 117.96 1y23 h LYS 70 Ca 0.38 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1y23 h LYS 70 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1y23 h LYS 70 CO -0.15 0.49 -0.10 0.82 -0.57 0.00 0.00 179.45 179.93 1y23 h ILE 71 N 0.23 1.27 -0.00 1.86 2.04 -0.81 -0.97 117.51 121.13 1y23 h ILE 71 Ca 0.08 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1y23 h ILE 71 Cb 0.27 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1y23 h ILE 71 CO -0.00 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.57 1y23 h ALA 72 N 0.87 0.00 -0.92 1.87 0.00 -0.83 -0.86 119.26 119.39 1y23 h ALA 72 Ca 0.11 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1y23 h ALA 72 Cb 0.64 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1y23 h ALA 72 CO 0.04 -0.47 0.59 0.00 0.00 0.00 0.00 179.25 179.42 1y23 h ARG 73 N -0.05 0.94 -0.67 0.00 3.08 -0.93 0.46 114.38 117.21 1y23 h ARG 73 Ca 0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1y23 h ARG 73 Cb 0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 1y23 h ARG 73 CO -0.00 0.63 0.17 0.00 -1.07 0.00 0.00 179.97 179.69 1y23 h ALA 74 N 1.53 0.88 -0.27 0.04 0.00 -0.64 -0.94 119.26 119.86 1y23 h ALA 74 Ca 0.42 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1y23 h ALA 74 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1y23 h ALA 74 CO -0.18 0.60 -0.44 0.82 0.00 0.00 0.00 179.25 180.05 1y23 h ILE 75 N 1.00 1.29 -0.36 0.00 2.04 -0.30 -2.72 117.51 118.46 1y23 h ILE 75 Ca 0.21 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 1y23 h ILE 75 Cb 0.36 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1y23 h ILE 75 CO 0.00 0.52 0.07 -0.09 0.00 0.00 0.00 178.15 178.65 1y23 h ARG 76 N 0.56 0.59 -0.13 2.37 2.43 -0.67 -2.47 114.38 117.06 1y23 h ARG 76 Ca 0.04 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1y23 h ARG 76 Cb 0.98 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1y23 h ARG 76 CO 0.09 0.66 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.53 1y23 h ASP 77 N 0.44 0.23 0.02 -3.80 3.32 -1.14 0.19 116.42 115.68 1y23 h ASP 77 Ca 0.11 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1y23 h ASP 77 Cb 0.34 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1y23 h ASP 77 CO 0.01 0.48 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.91 1y23 h GLU 78 N 0.21 -0.03 -0.00 3.56 4.57 -1.44 -3.40 114.58 118.05 1y23 h GLU 78 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1y23 h GLU 78 Cb 0.55 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1y23 h GLU 78 CO 0.04 0.72 -0.71 1.19 -1.18 0.00 0.00 179.01 179.07 1y23 n PHE 79 N -4.71 0.00 -3.61 0.92 3.01 -0.94 -5.03 117.46 107.10 1y23 n PHE 79 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1y23 n PHE 79 Cb 0.37 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.86 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 -0.98 -1.26 -1.68 -1.08 1.02 0.68 -4.96 120.64 112.39 1y23 n GLU 80 Ca 0.05 0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 57.62 1y23 n GLU 80 Cb 0.32 -3.82 0.07 0.00 -0.02 0.00 0.00 31.44 27.99 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 -5.17 2.50 0.00 3.49 0.04 -1.26 -4.94 135.00 129.67 1y23 s PRO 81 Ca 0.24 0.62 0.28 0.00 0.04 0.00 0.00 61.00 62.18 1y23 s PRO 81 Cb -0.09 -1.97 1.04 0.00 0.04 0.00 0.00 34.50 33.52 1y23 s PRO 81 CO 0.86 -1.32 1.74 0.44 0.04 0.00 0.00 177.00 178.75 1y23 n ILE 82 N -3.23 0.00 -3.68 0.56 -5.35 -0.24 -4.94 119.36 102.48 1y23 n ILE 82 Ca 0.07 -0.17 0.01 0.00 -0.27 0.00 0.00 62.75 62.39 1y23 n ILE 82 Cb 0.56 0.32 -0.00 0.00 -1.74 0.00 0.00 39.64 38.78 1y23 n ILE 82 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1y23 s GLY 83 N -2.22 -0.35 -0.26 3.28 0.00 -1.08 -4.98 107.32 101.70 1y23 s GLY 83 Ca 0.33 0.54 -0.23 0.00 0.00 0.00 0.00 44.72 45.36 1y23 s GLY 83 CO 0.41 0.74 0.70 -2.27 0.00 0.00 0.00 173.10 172.68 1y23 s LEU 84 N -3.08 -0.70 0.18 0.66 0.20 -1.26 0.66 118.68 115.35 1y23 s LEU 84 Ca 0.16 1.42 0.10 0.00 0.69 0.00 0.00 54.13 56.49 1y23 s LEU 84 Cb 0.04 2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 48.15 1y23 s LEU 84 CO -0.03 -0.24 -0.21 0.20 -0.29 0.00 0.00 176.35 175.78 1y23 s ASN 85 N 0.49 3.02 -0.08 3.68 -0.87 -0.29 -4.95 114.94 115.94 1y23 s ASN 85 Ca -0.01 -0.87 0.02 0.00 -1.57 0.00 0.00 52.86 50.44 1y23 s ASN 85 Cb -0.05 -0.20 0.01 0.00 -0.02 0.00 0.00 41.25 40.99 1y23 s ASN 85 CO -0.01 0.04 -0.15 0.42 -2.57 0.00 0.00 177.10 174.83 1y23 s THR 86 N -1.88 1.35 -0.03 1.60 -4.23 -1.25 -0.20 115.64 111.00 1y23 s THR 86 Ca 0.18 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1y23 s THR 86 Cb -0.07 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.58 1y23 s THR 86 CO 0.08 0.40 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.34 1y23 s LEU 87 N 0.66 1.34 -0.10 4.79 2.96 0.15 -4.92 118.68 123.56 1y23 s LEU 87 Ca -0.14 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1y23 s LEU 87 Cb -0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 1y23 s LEU 87 CO 0.04 -0.07 -0.21 0.21 -1.32 0.00 0.00 176.35 174.99 1y23 s ASN 88 N 0.80 3.32 -0.16 3.68 3.04 -1.26 0.09 114.94 124.45 1y23 s ASN 88 Ca -0.08 -0.49 -0.00 0.00 0.04 0.00 0.00 52.86 52.33 1y23 s ASN 88 Cb -0.11 -1.34 -0.00 0.00 -1.54 0.00 0.00 41.25 38.25 1y23 s ASN 88 CO -0.01 0.18 -0.14 0.20 -3.04 0.00 0.00 177.10 174.29 1y23 s ASN 89 N 0.22 3.70 -0.25 -4.21 0.01 -1.26 -5.06 114.94 108.09 1y23 s ASN 89 Ca -0.14 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.56 1y23 s ASN 89 Cb -0.17 -1.58 0.05 0.00 0.41 0.00 0.00 41.25 39.96 1y23 s ASN 89 CO 0.07 0.07 -0.11 0.20 -1.51 0.00 0.00 177.10 175.83 1y23 s ASN 90 N 0.90 4.25 0.00 -1.22 0.01 -1.26 -4.51 114.94 113.11 1y23 s ASN 90 Ca -0.03 -1.18 0.00 0.00 -0.71 0.00 0.00 52.86 50.94 1y23 s ASN 90 Cb -0.15 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.94 1y23 s ASN 90 CO -0.01 -0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.03 1y23 n GLY 91 N 4.52 2.16 0.28 0.66 0.00 -1.26 -4.33 105.19 107.22 1y23 n GLY 91 Ca -0.15 -1.54 0.03 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 0.03 0.00 1.61 4.81 -1.95 0.23 114.58 119.31 1y23 h GLU 92 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1y23 h GLU 92 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1y23 h GLU 92 CO 0.00 0.02 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 1y23 n LYS 93 N -5.45 0.10 -0.21 1.92 4.76 -1.26 -1.49 118.16 116.53 1y23 n LYS 93 Ca 0.12 0.23 0.08 0.00 -2.87 0.00 0.00 58.31 55.86 1y23 n LYS 93 Cb 0.42 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.36 2.26 -0.06 7.82 0.00 0.75 -4.95 120.51 124.97 1y23 n ALA 94 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1y23 n ALA 94 Cb 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.87 0.93 3.65 0.00 0.00 -0.55 -4.53 105.19 105.54 1y23 n GLY 95 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.94 4.18 -0.05 1.61 0.74 -0.82 -4.91 119.66 119.48 1y23 s GLN 96 Ca 0.00 0.74 0.16 0.00 0.05 0.00 0.00 55.36 56.30 1y23 s GLN 96 Cb 0.00 -3.62 -0.24 0.00 1.10 0.00 0.00 33.01 30.26 1y23 s GLN 96 CO 0.00 -0.38 0.29 0.43 -0.55 0.00 0.00 175.29 175.09 1y23 n SER 97 N 5.52 1.31 -4.13 6.67 7.64 -1.26 -3.82 113.62 125.55 1y23 n SER 97 Ca 0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 1y23 n SER 97 Cb 0.49 1.56 -0.16 0.00 -1.01 0.00 0.00 64.21 65.09 1y23 n SER 97 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1y23 s VAL 98 N -2.97 2.23 -1.39 0.44 1.01 -1.26 -5.03 120.40 113.43 1y23 s VAL 98 Ca -0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1y23 s VAL 98 Cb 0.09 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1y23 s VAL 98 CO 0.66 0.43 3.03 0.49 0.00 0.00 0.00 175.10 179.71 1y23 n PHE 99 N 4.61 2.09 -3.68 5.22 3.72 -1.26 -4.69 117.46 123.48 1y23 n PHE 99 Ca -0.20 -2.86 -0.16 0.00 -0.05 0.00 0.00 57.45 54.18 1y23 n PHE 99 Cb 0.49 -2.34 -0.15 0.00 -0.94 0.00 0.00 39.48 36.54 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 1.83 -0.20 0.23 1.38 2.46 -1.22 -4.14 115.29 115.62 1y23 s HIS 100 Ca 0.69 0.63 -0.30 0.00 0.47 0.00 0.00 55.06 56.54 1y23 s HIS 100 Cb 0.20 -0.21 -0.15 0.00 -0.13 0.00 0.00 32.58 32.29 1y23 s HIS 100 CO -0.05 -0.26 1.05 0.98 -2.47 0.00 0.00 174.74 173.98 1y23 n TYR 101 N 5.14 1.16 -3.62 3.88 9.36 0.13 -4.89 117.16 128.31 1y23 n TYR 101 Ca -0.08 0.71 -0.15 0.00 3.32 0.00 0.00 57.90 61.70 1y23 n TYR 101 Cb 0.50 -2.24 -0.07 0.00 -0.63 0.00 0.00 39.34 36.90 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 -0.63 -0.76 -0.19 2.98 -3.43 -1.26 -4.34 115.29 107.67 1y23 s HIS 102 Ca 0.66 1.79 -0.06 0.00 -0.80 0.00 0.00 55.06 56.65 1y23 s HIS 102 Cb -0.79 0.29 -0.03 0.00 -1.43 0.00 0.00 32.58 30.62 1y23 s HIS 102 CO 0.56 -0.41 0.02 1.41 -2.00 0.00 0.00 174.74 174.32 1y23 s MET 103 N 0.14 3.76 -0.07 -0.38 1.75 0.03 -4.39 119.30 120.15 1y23 s MET 103 Ca -0.02 -0.45 -0.22 0.00 -1.25 0.00 0.00 55.69 53.74 1y23 s MET 103 Cb -0.04 -3.10 -0.04 0.00 2.84 0.00 0.00 34.83 34.49 1y23 s MET 103 CO 0.02 0.15 0.66 -1.01 -0.65 0.00 0.00 175.02 174.20 1y23 s HIS 104 N 0.65 3.58 -0.30 4.11 3.76 0.11 -0.64 115.29 126.57 1y23 s HIS 104 Ca 0.01 1.20 -0.03 0.00 -0.15 0.00 0.00 55.06 56.08 1y23 s HIS 104 Cb -0.14 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.84 1y23 s HIS 104 CO 0.02 0.12 0.01 0.42 -0.85 0.00 0.00 174.74 174.45 1y23 s ILE 105 N 0.70 3.13 -0.31 0.60 -1.09 0.12 -0.67 121.20 123.69 1y23 s ILE 105 Ca 0.35 -1.24 0.03 0.00 -2.23 0.00 0.00 60.65 57.56 1y23 s ILE 105 Cb -0.17 -2.75 0.08 0.00 -1.58 0.00 0.00 42.46 38.04 1y23 s ILE 105 CO 0.17 -0.05 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.19 1y23 s ILE 106 N 1.30 2.31 0.48 2.92 1.01 0.72 -1.13 121.20 128.81 1y23 s ILE 106 Ca -0.03 -1.99 -0.22 0.00 0.00 0.00 0.00 60.65 58.41 1y23 s ILE 106 Cb -0.19 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 1y23 s ILE 106 CO -0.01 -0.34 1.15 -2.16 0.00 0.00 0.00 174.94 173.58 1y23 s PRO 107 N 1.01 3.65 -0.12 2.79 0.04 -1.26 -1.14 135.00 139.97 1y23 s PRO 107 Ca 0.02 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1y23 s PRO 107 Cb -0.20 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1y23 s PRO 107 CO -0.06 -0.62 -0.11 1.03 0.04 0.00 0.00 177.00 177.27 1y23 s ARG 108 N -2.87 3.29 -0.00 4.56 1.81 0.21 -4.83 118.95 121.12 1y23 s ARG 108 Ca 0.66 -0.65 0.06 0.00 -1.72 0.00 0.00 55.73 54.08 1y23 s ARG 108 Cb -0.27 -2.64 -0.06 0.00 -0.45 0.00 0.00 34.95 31.52 1y23 s ARG 108 CO 0.32 0.29 0.25 0.66 -0.68 0.00 0.00 175.30 176.14 1y23 n TYR 109 N 3.30 0.00 0.00 -0.53 4.02 -1.26 -1.08 117.16 121.61 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 0.53 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 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 1.15 0.39 3.64 2.72 0.00 -1.26 -4.83 105.19 106.99 1y23 n GLY 110 Ca 0.01 -1.81 -0.52 0.00 0.00 0.00 0.00 46.02 43.70 1y23 n GLY 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y23 n LYS 111 N 0.00 1.34 0.00 1.61 4.81 -1.26 -1.12 118.16 123.54 1y23 n LYS 111 Ca 0.00 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1y23 n LYS 111 Cb 0.00 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1y23 n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y23 n GLY 112 N 3.16 2.58 3.65 3.14 0.00 -1.26 -5.07 105.19 111.38 1y23 n GLY 112 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 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 2.27 -0.04 1.61 8.00 -0.27 -4.86 116.55 123.26 1y23 n ASP 113 Ca 0.00 1.18 0.14 0.00 0.71 0.00 0.00 54.79 56.81 1y23 n ASP 113 Cb 0.00 -1.39 0.58 0.00 -0.02 0.00 0.00 41.12 40.29 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 1.41 -1.24 3.30 0.44 0.00 -0.42 -4.77 105.19 103.92 1y23 n GLY 114 Ca 0.09 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.76 2.42 -0.01 1.61 5.36 -1.26 -4.98 117.98 118.37 1y23 s PHE 115 Ca 0.21 -0.56 -0.23 0.00 -0.96 0.00 0.00 56.93 55.38 1y23 s PHE 115 Cb 0.19 -1.57 0.05 0.00 -0.34 0.00 0.00 43.02 41.36 1y23 s PHE 115 CO 0.53 -0.11 0.52 0.20 -1.46 0.00 0.00 175.22 174.89 1y23 s GLY 116 N -0.38 -0.40 -0.18 13.12 0.00 -1.26 -5.11 107.32 113.11 1y23 s GLY 116 Ca 0.03 0.79 -0.04 0.00 0.00 0.00 0.00 44.72 45.50 1y23 s GLY 116 CO 0.02 0.49 -0.03 0.00 0.00 0.00 0.00 173.10 173.58 1y23 s ALA 117 N -1.64 2.99 0.03 3.20 0.00 -1.26 -5.07 121.76 120.01 1y23 s ALA 117 Ca -0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1y23 s ALA 117 Cb -0.02 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1y23 s ALA 117 CO 0.05 0.04 0.97 0.08 0.00 0.00 0.00 175.76 176.90 1y23 s VAL 118 N 0.67 4.77 -0.28 0.00 1.01 -1.26 -5.01 120.40 120.30 1y23 s VAL 118 Ca -0.02 2.06 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1y23 s VAL 118 Cb -0.14 -4.32 0.09 0.00 0.00 0.00 0.00 36.38 32.01 1y23 s VAL 118 CO 0.02 0.20 0.10 0.86 0.00 0.00 0.00 175.10 176.29 1y23 s TRP 119 N 0.73 0.99 -0.26 5.22 -0.11 -1.26 -5.09 118.94 119.15 1y23 s TRP 119 Ca 0.51 -1.20 -0.02 0.00 1.22 0.00 0.00 56.10 56.60 1y23 s TRP 119 Cb -0.22 -1.24 0.03 0.00 -1.50 0.00 0.00 33.47 30.54 1y23 s TRP 119 CO 0.28 -0.80 -0.04 0.15 -4.62 0.00 0.00 176.95 171.92 1y23 s LYS 120 N 1.87 2.74 0.60 5.86 1.02 -1.26 -5.11 119.74 125.46 1y23 s LYS 120 Ca 0.08 -1.04 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1y23 s LYS 120 Cb -0.17 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1y23 s LYS 120 CO -0.27 -0.46 0.96 0.95 -0.92 0.00 0.00 175.35 175.62 1y23 s THR 121 N 1.31 4.28 -0.00 2.17 -4.23 -1.26 -5.03 115.64 112.88 1y23 s THR 121 Ca -0.01 0.45 0.19 0.00 -1.18 0.00 0.00 61.69 61.13 1y23 s THR 121 Cb -0.17 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.27 1y23 s THR 121 CO -0.03 -0.82 1.12 1.41 -0.54 0.00 0.00 174.62 175.75 1y23 n HIS 122 N -2.65 0.00 -0.28 3.99 -0.00 -1.26 -4.97 115.22 110.05 1y23 n HIS 122 Ca 0.05 -0.52 0.05 0.00 -0.00 0.00 0.00 57.72 57.30 1y23 n HIS 122 Cb 0.56 0.04 0.15 0.00 -0.00 0.00 0.00 29.99 30.73 1y23 n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y23 h ALA 123 N 0.73 0.71 0.00 -1.41 0.00 -1.95 0.83 119.26 118.16 1y23 h ALA 123 Ca -0.33 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y23 h ALA 123 Cb 1.75 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1y23 h ALA 123 CO -0.01 -0.43 0.00 -0.44 0.00 0.00 0.00 179.25 178.37 1y23 h ASP 124 N 0.04 0.00 1.28 0.00 3.32 -2.03 -2.19 116.42 116.84 1y23 h ASP 124 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1y23 h ASP 124 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1y23 h ASP 124 CO -0.78 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.21 1y23 n ASP 125 N -2.34 0.61 -4.45 6.45 8.00 0.29 -4.77 116.55 120.34 1y23 n ASP 125 Ca -0.00 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.73 1y23 n ASP 125 Cb 0.13 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.37 1y23 n ASP 125 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1y23 s TYR 126 N -3.10 2.88 0.53 1.24 1.51 -0.83 -5.10 117.35 114.48 1y23 s TYR 126 Ca 0.11 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1y23 s TYR 126 Cb 0.13 -1.83 0.05 0.00 -0.11 0.00 0.00 41.96 40.20 1y23 s TYR 126 CO 0.56 -0.04 0.73 0.15 -1.11 0.00 0.00 175.55 175.84 1y23 s LYS 127 N 0.06 2.50 0.38 -0.62 1.02 -1.26 -4.94 119.74 116.88 1y23 s LYS 127 Ca -0.03 -1.13 0.05 0.00 0.02 0.00 0.00 55.97 54.87 1y23 s LYS 127 Cb -0.14 -2.59 0.74 0.00 -0.52 0.00 0.00 37.83 35.31 1y23 s LYS 127 CO 0.04 -0.67 2.02 -1.00 -0.92 0.00 0.00 175.35 174.82 1y23 h PRO 128 N 0.22 0.67 0.00 -1.68 0.13 -1.99 -2.13 132.00 127.21 1y23 h PRO 128 Ca -0.39 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1y23 h PRO 128 Cb 1.29 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1y23 h PRO 128 CO 0.46 0.46 -0.65 0.93 -0.23 0.00 0.00 178.00 178.97 1y23 h GLU 129 N 0.68 0.00 0.09 0.86 3.07 -1.99 -2.48 114.58 114.80 1y23 h GLU 129 Ca 0.18 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1y23 h GLU 129 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1y23 h GLU 129 CO -0.04 0.65 -0.04 -0.44 -1.40 0.00 0.00 179.01 177.75 1y23 h ASP 130 N 0.00 -0.10 -0.94 1.42 3.32 -1.78 -1.72 116.42 116.62 1y23 h ASP 130 Ca -0.01 -0.32 0.08 0.00 0.02 0.00 0.00 57.03 56.81 1y23 h ASP 130 Cb 1.21 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.71 1y23 h ASP 130 CO 0.09 0.27 0.59 -0.07 -1.72 0.00 0.00 179.24 178.40 1y23 h LEU 131 N -0.48 0.90 -0.42 1.55 3.38 -1.44 0.19 115.31 118.98 1y23 h LEU 131 Ca -0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1y23 h LEU 131 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1y23 h LEU 131 CO 0.02 0.54 0.16 -0.61 0.09 0.00 0.00 178.44 178.64 1y23 h GLN 132 N 1.02 0.64 -0.24 1.13 5.75 -1.38 -0.29 115.11 121.74 1y23 h GLN 132 Ca 0.43 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.69 1y23 h GLN 132 Cb 0.28 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1y23 h GLN 132 CO -0.21 0.60 -0.34 -0.91 -2.65 0.00 0.00 178.83 175.33 1y23 h ASN 133 N 0.54 0.52 -0.02 -0.69 2.35 -0.57 -0.58 115.58 117.13 1y23 h ASN 133 Ca 0.14 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1y23 h ASN 133 Cb 0.21 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1y23 h ASN 133 CO -0.01 0.82 -0.01 0.40 -1.65 0.00 0.00 177.43 176.98 1y23 h ILE 134 N 0.43 1.37 -0.79 2.81 2.04 -0.82 -0.44 117.51 122.12 1y23 h ILE 134 Ca 0.05 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 1y23 h ILE 134 Cb 0.79 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 1y23 h ILE 134 CO 0.06 0.29 0.30 0.77 0.00 0.00 0.00 178.15 179.58 1y23 h SER 135 N -0.42 1.10 -0.46 1.72 4.64 -1.02 -2.36 113.55 116.74 1y23 h SER 135 Ca 0.00 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1y23 h SER 135 Cb 0.49 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1y23 h SER 135 CO 0.00 0.98 0.24 -1.28 -0.87 0.00 0.00 176.83 175.90 1y23 h SER 136 N 1.15 0.59 -1.00 4.97 0.87 -1.07 -1.65 113.55 117.41 1y23 h SER 136 Ca 0.26 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1y23 h SER 136 Cb 0.23 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 1y23 h SER 136 CO -0.02 0.53 0.66 0.28 -0.53 0.00 0.00 176.83 177.75 1y23 h SER 137 N 0.60 1.10 -0.05 6.23 0.02 -0.80 -1.82 113.55 118.83 1y23 h SER 137 Ca 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1y23 h SER 137 Cb 0.09 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 1y23 h SER 137 CO -0.02 0.76 -0.01 0.40 -1.14 0.00 0.00 176.83 176.82 1y23 h ILE 138 N 1.28 1.28 -0.96 3.27 2.04 -1.14 -3.12 117.51 120.15 1y23 h ILE 138 Ca 0.39 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.52 1y23 h ILE 138 Cb -0.02 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1y23 h ILE 138 CO -0.12 0.23 0.61 0.00 0.00 0.00 0.00 178.15 178.88 1y23 h ALA 139 N 0.68 1.63 -0.26 1.87 0.00 -0.96 -0.68 119.26 121.53 1y23 h ALA 139 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y23 h ALA 139 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1y23 h ALA 139 CO 0.00 0.12 0.13 0.87 0.00 0.00 0.00 179.25 180.37 1y23 h LYS 140 N 0.88 0.36 0.00 0.00 1.79 -1.28 -2.14 116.57 116.18 1y23 h LYS 140 Ca 0.48 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1y23 h LYS 140 Cb 0.58 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1y23 h LYS 140 CO -0.25 0.28 0.00 0.54 -1.08 0.00 0.00 179.45 178.94 1y23 n ARG 141 N -4.45 0.15 -1.65 3.15 5.12 -0.27 -4.81 116.66 113.89 1y23 n ARG 141 Ca 0.01 0.28 -0.31 0.00 -1.93 0.00 0.00 57.85 55.90 1y23 n ARG 141 Cb 0.10 -1.73 0.04 0.00 -1.16 0.00 0.00 32.46 29.71 1y23 n ARG 141 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1y23 s LEU 142 N -4.01 3.17 0.61 0.55 1.43 -0.81 -5.02 118.68 114.61 1y23 s LEU 142 Ca 0.08 1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 54.60 1y23 s LEU 142 Cb 0.11 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 1y23 s LEU 142 CO 0.44 -1.32 1.12 0.00 0.23 0.00 0.00 176.35 176.82 1y23 s ALA 143 N -3.03 2.56 -0.38 4.21 0.00 -1.26 -5.02 121.76 118.83 1y23 s ALA 143 Ca 0.58 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1y23 s ALA 143 Cb -0.14 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.78 1y23 s ALA 143 CO 0.54 -1.08 0.22 0.45 0.00 0.00 0.00 175.76 175.88 1y23 s SER 144 N -2.22 3.27 0.00 0.00 0.15 -1.26 -5.11 113.70 108.53 1y23 s SER 144 Ca 0.70 -2.34 0.29 0.00 0.70 0.00 0.00 55.95 55.30 1y23 s SER 144 Cb -0.22 -0.66 1.30 0.00 -1.71 0.00 0.00 66.02 64.72 1y23 s SER 144 CO 0.35 -0.30 1.88 -1.54 1.20 0.00 0.00 173.24 174.84