#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n18 n THR 2 N 0.00 1.27 -4.65 0.00 -2.24 -1.26 -4.44 114.28 102.96 1n18 n THR 2 Ca 0.00 -0.82 -0.24 0.00 -2.27 0.00 0.00 64.05 60.72 1n18 n THR 2 Cb 0.00 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.65 1n18 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n18 s LYS 3 N -2.55 1.31 0.22 -0.78 1.02 -1.26 0.36 119.74 118.06 1n18 s LYS 3 Ca -0.10 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 1n18 s LYS 3 Cb 0.06 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.00 1n18 s LYS 3 CO 0.82 0.35 0.20 0.00 -0.92 0.00 0.00 175.35 175.80 1n18 s ALA 4 N -0.68 1.03 -0.04 5.17 0.00 -0.48 -1.13 121.76 125.63 1n18 s ALA 4 Ca 0.06 -1.62 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 1n18 s ALA 4 Cb -0.08 1.35 0.05 0.00 0.00 0.00 0.00 23.12 24.44 1n18 s ALA 4 CO 0.01 -0.64 0.49 0.54 0.00 0.00 0.00 175.76 176.16 1n18 s VAL 5 N -4.05 0.03 -0.04 0.00 0.11 -0.21 -0.84 120.40 115.39 1n18 s VAL 5 Ca 0.37 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1n18 s VAL 5 Cb 0.05 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1n18 s VAL 5 CO 0.13 -0.13 0.02 0.00 -3.33 0.00 0.00 175.10 171.79 1n18 s ALA 6 N -1.18 0.40 -0.42 1.54 0.00 0.04 -1.10 121.76 121.04 1n18 s ALA 6 Ca -0.12 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 1n18 s ALA 6 Cb -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1n18 s ALA 6 CO 0.07 -0.31 0.32 0.08 0.00 0.00 0.00 175.76 175.91 1n18 s VAL 7 N 1.65 5.26 -0.01 0.00 1.01 -1.26 -1.09 120.40 125.94 1n18 s VAL 7 Ca -0.01 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1n18 s VAL 7 Cb -0.13 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1n18 s VAL 7 CO -0.03 -0.36 0.97 -0.76 0.00 0.00 0.00 175.10 174.92 1n18 s LEU 8 N 1.68 4.36 0.03 3.92 1.43 0.11 -4.09 118.68 126.12 1n18 s LEU 8 Ca 0.05 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1n18 s LEU 8 Cb -0.20 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1n18 s LEU 8 CO 0.09 -0.27 0.26 -0.54 0.23 0.00 0.00 176.35 176.13 1n18 s LYS 9 N 1.08 0.72 0.00 1.70 1.02 -0.13 -2.25 119.74 121.87 1n18 s LYS 9 Ca 0.51 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1n18 s LYS 9 Cb -0.21 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1n18 s LYS 9 CO 0.27 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 1n18 n GLY 10 N 0.82 3.26 0.13 -3.33 0.00 -1.25 -1.25 105.19 103.57 1n18 n GLY 10 Ca -0.20 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1n18 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n18 h ASP 11 N 0.00 0.65 0.00 1.61 3.32 -1.92 -3.47 116.42 116.61 1n18 h ASP 11 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 57.03 56.28 1n18 h ASP 11 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1n18 h ASP 11 CO 0.00 1.62 0.00 0.61 -1.72 0.00 0.00 179.24 179.75 1n18 n GLY 12 N 1.70 -0.48 0.05 2.75 0.00 -1.26 -4.97 105.19 102.98 1n18 n GLY 12 Ca -0.17 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1n18 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n18 n PRO 13 N 0.00 0.26 -2.04 1.61 -0.04 -1.26 -4.89 135.00 128.64 1n18 n PRO 13 Ca 0.00 -0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 1n18 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1n18 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n18 s VAL 14 N -2.81 3.57 -0.02 0.52 1.01 -1.26 -4.37 120.40 117.05 1n18 s VAL 14 Ca 0.18 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1n18 s VAL 14 Cb 0.19 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1n18 s VAL 14 CO 0.57 -0.28 0.13 0.00 0.00 0.00 0.00 175.10 175.52 1n18 s GLN 15 N 4.94 0.37 0.18 2.72 -2.07 -0.92 -3.96 119.66 120.92 1n18 s GLN 15 Ca 0.76 -0.20 -0.23 0.00 -1.82 0.00 0.00 55.36 53.86 1n18 s GLN 15 Cb -0.26 0.16 0.07 0.00 -1.09 0.00 0.00 33.01 31.88 1n18 s GLN 15 CO 0.31 -0.08 0.98 0.20 -1.32 0.00 0.00 175.29 175.39 1n18 s GLY 16 N -0.88 -0.06 -0.12 2.60 0.00 -0.96 -1.18 107.32 106.72 1n18 s GLY 16 Ca -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 1n18 s GLY 16 CO 0.01 0.91 -0.06 -0.42 0.00 0.00 0.00 173.10 173.54 1n18 s ILE 17 N -2.78 0.93 -0.15 0.90 1.01 -0.79 0.08 121.20 120.40 1n18 s ILE 17 Ca 0.16 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1n18 s ILE 17 Cb -0.02 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1n18 s ILE 17 CO 0.04 0.29 -0.21 -0.63 0.00 0.00 0.00 174.94 174.43 1n18 s ILE 18 N 1.74 2.15 0.26 2.92 -1.09 -0.25 -2.38 121.20 124.55 1n18 s ILE 18 Ca 0.04 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1n18 s ILE 18 Cb -0.13 -1.87 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 1n18 s ILE 18 CO -0.08 0.54 0.47 0.20 -1.23 0.00 0.00 174.94 174.85 1n18 s ASN 19 N 0.86 6.38 -0.00 3.58 0.01 0.16 -0.78 114.94 125.15 1n18 s ASN 19 Ca -0.06 0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 1n18 s ASN 19 Cb -0.15 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1n18 s ASN 19 CO -0.03 -0.15 -0.06 -0.36 -1.51 0.00 0.00 177.10 174.99 1n18 s PHE 20 N -2.04 0.57 -0.15 2.20 0.08 -0.02 -2.22 117.98 116.41 1n18 s PHE 20 Ca 0.40 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 57.26 1n18 s PHE 20 Cb -0.10 -0.37 0.06 0.00 -0.57 0.00 0.00 43.02 42.03 1n18 s PHE 20 CO 0.31 -0.01 0.36 -2.00 -0.10 0.00 0.00 175.22 173.77 1n18 s GLU 21 N -0.19 0.32 -0.28 0.44 2.12 -0.66 -1.39 118.70 119.07 1n18 s GLU 21 Ca 0.02 0.73 -0.02 0.00 0.36 0.00 0.00 54.97 56.06 1n18 s GLU 21 Cb -0.03 -0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.42 1n18 s GLU 21 CO -0.00 -0.17 0.09 -1.14 -0.54 0.00 0.00 175.26 173.49 1n18 s GLN 22 N 1.47 0.62 0.23 4.30 0.74 0.16 -0.19 119.66 126.99 1n18 s GLN 22 Ca -0.09 -0.83 -0.07 0.00 0.05 0.00 0.00 55.36 54.43 1n18 s GLN 22 Cb -0.09 -1.87 0.30 0.00 1.10 0.00 0.00 33.01 32.44 1n18 s GLN 22 CO -0.11 -0.91 1.84 0.87 -0.55 0.00 0.00 175.29 176.43 1n18 h LYS 23 N 8.18 0.87 -5.24 1.67 1.57 -1.83 -3.43 116.57 118.36 1n18 h LYS 23 Ca -0.15 -0.05 -0.48 0.00 -1.87 0.00 0.00 60.65 58.10 1n18 h LYS 23 Cb 1.04 -0.20 -0.29 0.00 0.08 0.00 0.00 32.23 32.86 1n18 h LYS 23 CO 0.44 0.58 -0.81 -1.21 -0.57 0.00 0.00 179.45 177.88 1n18 s GLU 24 N -6.08 1.10 0.61 3.15 0.41 -1.26 -5.02 118.70 111.61 1n18 s GLU 24 Ca -0.13 -0.50 0.31 0.00 -0.41 0.00 0.00 54.97 54.24 1n18 s GLU 24 Cb 0.18 -1.07 1.72 0.00 -1.78 0.00 0.00 34.13 33.18 1n18 s GLU 24 CO 0.78 0.29 2.10 0.66 -0.49 0.00 0.00 175.26 178.60 1n18 h SER 25 N 5.78 0.00 -0.28 -0.19 4.64 -1.96 0.21 113.55 121.74 1n18 h SER 25 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1n18 h SER 25 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1n18 h SER 25 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1n18 n ASN 26 N -3.62 3.73 -3.79 4.97 6.94 -1.26 -4.92 115.26 117.31 1n18 n ASN 26 Ca 0.01 -2.82 -0.16 0.00 -0.02 0.00 0.00 54.58 51.59 1n18 n ASN 26 Cb 0.32 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 1n18 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n18 n GLY 27 N -0.29 2.80 3.86 4.83 0.00 0.72 -5.14 105.19 111.98 1n18 n GLY 27 Ca 0.20 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 1n18 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n18 s PRO 28 N -3.44 2.40 -0.14 1.61 0.04 -1.26 -4.84 135.00 129.37 1n18 s PRO 28 Ca 0.21 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1n18 s PRO 28 Cb -0.02 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1n18 s PRO 28 CO 0.13 -1.35 -0.17 0.08 0.04 0.00 0.00 177.00 175.74 1n18 s VAL 29 N -3.36 2.59 0.05 -0.36 1.01 0.15 -4.27 120.40 116.21 1n18 s VAL 29 Ca 0.60 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 1n18 s VAL 29 Cb -0.12 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1n18 s VAL 29 CO 0.52 0.52 0.66 -0.54 0.00 0.00 0.00 175.10 176.27 1n18 s LYS 30 N 0.70 4.38 -0.17 2.72 1.02 0.74 -1.03 119.74 128.10 1n18 s LYS 30 Ca -0.08 0.89 -0.00 0.00 0.02 0.00 0.00 55.97 56.80 1n18 s LYS 30 Cb -0.16 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1n18 s LYS 30 CO 0.01 0.43 -0.06 0.08 -0.92 0.00 0.00 175.35 174.89 1n18 s VAL 31 N -0.49 1.21 0.10 3.17 1.01 0.10 -1.65 120.40 123.85 1n18 s VAL 31 Ca 0.33 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1n18 s VAL 31 Cb -0.20 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1n18 s VAL 31 CO 0.20 0.15 0.24 -1.66 0.00 0.00 0.00 175.10 174.03 1n18 s TRP 32 N 1.59 0.13 -5.00 5.22 -2.14 -0.94 0.11 118.94 117.91 1n18 s TRP 32 Ca 0.01 -0.53 0.00 0.00 2.66 0.00 0.00 56.10 58.23 1n18 s TRP 32 Cb -0.15 -0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.21 1n18 s TRP 32 CO -0.08 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.03 1n18 n GLY 33 N -0.11 -0.34 3.11 3.67 0.00 -0.54 0.40 105.19 111.37 1n18 n GLY 33 Ca -0.14 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1n18 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n18 s SER 34 N -4.00 0.13 -0.04 1.61 0.15 -1.00 -0.84 113.70 109.71 1n18 s SER 34 Ca 0.00 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 1n18 s SER 34 Cb 0.00 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1n18 s SER 34 CO 0.00 -0.46 0.08 -0.63 1.20 0.00 0.00 173.24 173.43 1n18 s ILE 35 N -2.17 -0.09 0.45 6.45 1.01 -0.61 -1.89 121.20 124.35 1n18 s ILE 35 Ca -0.09 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1n18 s ILE 35 Cb -0.04 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 1n18 s ILE 35 CO -0.02 0.11 0.06 -1.59 0.00 0.00 0.00 174.94 173.50 1n18 s LYS 36 N 1.44 2.10 -0.01 2.79 -2.85 -0.33 -0.33 119.74 122.55 1n18 s LYS 36 Ca -0.05 -2.15 0.00 0.00 -1.00 0.00 0.00 55.97 52.77 1n18 s LYS 36 Cb -0.12 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1n18 s LYS 36 CO -0.04 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1n18 n GLY 37 N -1.16 0.45 3.91 0.59 0.00 -1.07 -2.16 105.19 105.74 1n18 n GLY 37 Ca -0.08 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1n18 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n18 s LEU 38 N -0.03 4.27 0.08 0.99 1.43 -1.03 -4.12 118.68 120.26 1n18 s LEU 38 Ca 0.00 0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 1n18 s LEU 38 Cb 0.00 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 1n18 s LEU 38 CO 0.00 0.05 1.26 0.42 0.23 0.00 0.00 176.35 178.31 1n18 s THR 39 N -1.68 3.78 0.05 5.49 -4.23 -1.26 -4.15 115.64 113.65 1n18 s THR 39 Ca 0.40 1.29 -0.38 0.00 -1.18 0.00 0.00 61.69 61.81 1n18 s THR 39 Cb -0.12 -3.82 -0.18 0.00 1.34 0.00 0.00 72.50 69.71 1n18 s THR 39 CO 0.26 0.10 1.17 1.21 -0.54 0.00 0.00 174.62 176.82 1n18 n GLU 40 N 3.89 0.52 0.00 3.99 2.13 -1.26 -4.68 120.64 125.23 1n18 n GLU 40 Ca 0.10 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1n18 n GLU 40 Cb 0.45 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.43 1n18 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n18 n GLY 41 N 1.95 0.74 3.85 8.31 0.00 0.07 -4.94 105.19 115.17 1n18 n GLY 41 Ca 0.19 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1n18 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n18 s LEU 42 N 0.00 4.27 -0.06 0.99 1.43 -1.26 -0.45 118.68 123.59 1n18 s LEU 42 Ca 0.00 1.08 -0.03 0.00 -1.03 0.00 0.00 54.13 54.15 1n18 s LEU 42 Cb 0.00 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.78 1n18 s LEU 42 CO 0.00 0.02 0.14 -1.00 0.23 0.00 0.00 176.35 175.74 1n18 s HIS 43 N -1.61 -0.15 0.54 0.29 3.76 -0.81 -3.26 115.29 114.05 1n18 s HIS 43 Ca 0.42 0.45 -0.20 0.00 -0.15 0.00 0.00 55.06 55.58 1n18 s HIS 43 Cb -0.14 -0.08 -0.07 0.00 1.11 0.00 0.00 32.58 33.40 1n18 s HIS 43 CO 0.20 -0.15 0.99 0.41 -0.85 0.00 0.00 174.74 175.33 1n18 n GLY 44 N 4.11 -0.25 2.68 -2.22 0.00 -0.38 -1.60 105.19 107.54 1n18 n GLY 44 Ca -0.25 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1n18 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n18 s PHE 45 N -1.44 -0.12 0.09 1.61 5.36 0.30 -0.70 117.98 123.08 1n18 s PHE 45 Ca 0.71 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 56.46 1n18 s PHE 45 Cb -0.46 -0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1n18 s PHE 45 CO 0.51 -0.72 0.02 -1.01 -1.46 0.00 0.00 175.22 172.55 1n18 s HIS 46 N 2.26 0.70 -0.26 10.12 3.76 -0.65 -2.01 115.29 129.20 1n18 s HIS 46 Ca 0.07 -1.15 -0.12 0.00 -0.15 0.00 0.00 55.06 53.72 1n18 s HIS 46 Cb -0.15 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 33.06 1n18 s HIS 46 CO -0.23 -0.46 0.23 0.08 -0.85 0.00 0.00 174.74 173.51 1n18 s VAL 47 N -3.99 5.29 0.23 -0.90 1.01 0.15 -0.21 120.40 121.98 1n18 s VAL 47 Ca 0.16 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1n18 s VAL 47 Cb 0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1n18 s VAL 47 CO -0.04 0.26 0.39 -1.00 0.00 0.00 0.00 175.10 174.71 1n18 s HIS 48 N 1.61 3.48 0.13 5.22 3.76 0.44 -0.20 115.29 129.71 1n18 s HIS 48 Ca 0.09 0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.90 1n18 s HIS 48 Cb -0.15 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.75 1n18 s HIS 48 CO 0.09 0.38 1.60 1.49 -0.85 0.00 0.00 174.74 177.46 1n18 h GLU 49 N 1.55 -0.47 -5.64 1.40 4.81 -0.91 -2.33 114.58 112.99 1n18 h GLU 49 Ca -0.50 0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 58.11 1n18 h GLU 49 Cb 1.21 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 1n18 h GLU 49 CO 0.65 -0.31 -0.46 -0.06 -0.73 0.00 0.00 179.01 178.09 1n18 s PHE 50 N -5.97 3.59 -0.44 0.92 0.08 -0.04 -4.56 117.98 111.56 1n18 s PHE 50 Ca -0.16 0.55 -0.02 0.00 0.12 0.00 0.00 56.93 57.42 1n18 s PHE 50 Cb 0.09 -1.98 0.19 0.00 -0.57 0.00 0.00 43.02 40.75 1n18 s PHE 50 CO 0.65 0.70 2.31 0.41 -0.10 0.00 0.00 175.22 179.18 1n18 n GLY 51 N 2.09 4.50 3.41 4.36 0.00 -1.12 -3.69 105.19 114.74 1n18 n GLY 51 Ca -0.19 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1n18 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n18 s ASP 52 N -0.08 5.40 -0.18 1.61 3.68 -1.26 -4.92 116.67 120.91 1n18 s ASP 52 Ca 0.47 -0.58 0.16 0.00 2.13 0.00 0.00 52.55 54.73 1n18 s ASP 52 Cb 0.34 -1.96 0.49 0.00 -1.45 0.00 0.00 42.92 40.34 1n18 s ASP 52 CO -0.11 -0.19 1.38 -3.20 0.13 0.00 0.00 175.17 173.18 1n18 n ASN 53 N 4.94 3.45 0.28 -0.34 4.05 -1.26 -2.98 115.26 123.40 1n18 n ASN 53 Ca -0.14 -3.13 0.12 0.00 0.45 0.00 0.00 54.58 51.88 1n18 n ASN 53 Cb 0.49 -0.54 0.80 0.00 1.23 0.00 0.00 39.78 41.76 1n18 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1n18 h THR 54 N 1.39 0.72 -1.02 -0.44 1.35 -1.92 -2.87 112.91 110.12 1n18 h THR 54 Ca 0.03 -0.03 -0.44 0.00 -0.55 0.00 0.00 66.41 65.42 1n18 h THR 54 Cb 1.40 1.02 -0.41 0.00 -1.73 0.00 0.00 68.15 68.42 1n18 h THR 54 CO 0.21 0.01 -0.98 0.00 -0.25 0.00 0.00 175.52 174.50 1n18 n ALA 55 N -2.41 4.04 -0.31 6.62 0.00 -1.26 -5.07 120.51 122.12 1n18 n ALA 55 Ca -0.03 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.87 1n18 n ALA 55 Cb 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1n18 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n18 n GLY 56 N -0.39 -1.57 0.00 0.00 0.00 -1.09 -3.45 105.19 98.69 1n18 n GLY 56 Ca 0.24 -1.27 0.05 0.00 0.00 0.00 0.00 46.02 45.03 1n18 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n18 h THR 58 N 0.00 1.27 0.00 0.00 2.02 -1.89 -2.93 112.91 111.39 1n18 h THR 58 Ca 0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1n18 h THR 58 Cb 0.10 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1n18 h THR 58 CO 0.00 0.45 0.00 -1.54 0.37 0.00 0.00 175.52 174.80 1n18 n SER 59 N -4.10 0.00 0.05 4.18 3.41 -1.07 -3.28 113.62 112.80 1n18 n SER 59 Ca -0.00 -1.29 0.11 0.00 -0.26 0.00 0.00 58.87 57.43 1n18 n SER 59 Cb 0.44 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.85 1n18 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n18 n ALA 60 N -0.81 2.00 -0.36 7.33 0.00 -1.11 -4.40 120.51 123.15 1n18 n ALA 60 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1n18 n ALA 60 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1n18 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n18 n GLY 61 N 0.74 -1.26 3.61 0.00 0.00 -1.21 -0.86 105.19 106.21 1n18 n GLY 61 Ca 0.05 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 1n18 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n18 n PRO 62 N -0.44 -2.94 -2.08 1.61 -0.04 -1.26 -4.63 135.00 125.22 1n18 n PRO 62 Ca 0.00 -1.82 -0.40 0.00 -0.04 0.00 0.00 63.50 61.24 1n18 n PRO 62 Cb 0.00 -1.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 1n18 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1n18 s HIS 63 N -3.14 2.87 -0.09 0.54 3.76 -1.26 -0.64 115.29 117.33 1n18 s HIS 63 Ca 0.73 1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 56.76 1n18 s HIS 63 Cb -0.06 -3.66 -0.07 0.00 1.11 0.00 0.00 32.58 29.89 1n18 s HIS 63 CO 0.55 -2.01 2.10 0.34 -0.85 0.00 0.00 174.74 174.87 1n18 n PHE 64 N 0.25 2.23 -3.19 1.40 -0.00 0.72 -4.41 117.46 114.46 1n18 n PHE 64 Ca 0.03 -0.24 -0.24 0.00 -0.00 0.00 0.00 57.45 57.00 1n18 n PHE 64 Cb 0.43 -2.76 -0.07 0.00 -0.00 0.00 0.00 39.48 37.08 1n18 n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1n18 n ASN 65 N 9.53 0.11 0.16 -2.13 5.15 -1.26 -2.03 115.26 124.79 1n18 n ASN 65 Ca 0.25 -2.69 0.01 0.00 -0.60 0.00 0.00 54.58 51.55 1n18 n ASN 65 Cb 0.42 -0.60 0.32 0.00 -0.53 0.00 0.00 39.78 39.38 1n18 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1n18 h PRO 66 N 4.03 0.07 -0.00 1.20 0.13 -1.98 -2.74 132.00 132.71 1n18 h PRO 66 Ca 0.07 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1n18 h PRO 66 Cb 0.88 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1n18 h PRO 66 CO 0.46 0.45 -0.02 1.28 -0.23 0.00 0.00 178.00 179.93 1n18 n LEU 67 N -4.07 0.08 -3.59 1.56 4.32 -1.26 -4.94 117.00 109.10 1n18 n LEU 67 Ca -0.02 0.23 -0.23 0.00 -0.02 0.00 0.00 56.01 55.97 1n18 n LEU 67 Cb 0.43 -0.26 0.08 0.00 -1.62 0.00 0.00 43.42 42.05 1n18 n LEU 67 CO 0.40 0.02 0.19 -1.20 -1.22 0.00 0.00 177.39 175.57 1n18 n SER 68 N -1.22 -4.87 -4.94 -1.43 7.64 -1.03 -5.01 113.62 102.76 1n18 n SER 68 Ca 0.15 -0.60 -0.19 0.00 1.01 0.00 0.00 58.87 59.24 1n18 n SER 68 Cb 0.24 -4.91 -0.01 0.00 -1.01 0.00 0.00 64.21 58.52 1n18 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1n18 s ARG 69 N -6.08 2.68 0.65 1.43 0.52 -1.26 -5.11 118.95 111.78 1n18 s ARG 69 Ca 0.41 -1.39 -0.11 0.00 -0.52 0.00 0.00 55.73 54.13 1n18 s ARG 69 Cb -0.19 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 1n18 s ARG 69 CO 0.74 -0.21 1.05 0.15 0.02 0.00 0.00 175.30 177.05 1n18 s LYS 70 N -4.22 3.35 0.80 3.54 3.01 -1.26 -4.59 119.74 120.37 1n18 s LYS 70 Ca 0.51 0.70 -0.13 0.00 -1.01 0.00 0.00 55.97 56.04 1n18 s LYS 70 Cb -0.06 -2.06 0.08 0.00 -1.01 0.00 0.00 37.83 34.78 1n18 s LYS 70 CO 0.30 -0.74 1.17 -1.58 0.51 0.00 0.00 175.35 175.01 1n18 s HIS 71 N -3.21 1.94 0.00 3.18 5.65 0.32 -3.05 115.29 120.12 1n18 s HIS 71 Ca 0.56 1.67 -0.01 0.00 0.25 0.00 0.00 55.06 57.53 1n18 s HIS 71 Cb -0.11 -3.38 0.00 0.00 -1.18 0.00 0.00 32.58 27.91 1n18 s HIS 71 CO 0.54 -2.61 0.04 0.41 -0.65 0.00 0.00 174.74 172.47 1n18 n GLY 72 N 0.16 0.96 3.95 1.59 0.00 -1.26 -4.56 105.19 106.03 1n18 n GLY 72 Ca 0.12 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 1n18 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n18 s GLY 73 N -2.31 1.58 0.52 -0.02 0.00 -1.24 -4.69 107.32 101.16 1n18 s GLY 73 Ca 0.01 -1.06 0.19 0.00 0.00 0.00 0.00 44.72 43.86 1n18 s GLY 73 CO 0.00 -0.88 2.13 -0.56 0.00 0.00 0.00 173.10 173.79 1n18 h PRO 74 N 0.37 0.00 0.00 2.90 0.13 -1.86 -2.28 132.00 131.26 1n18 h PRO 74 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1n18 h PRO 74 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1n18 h PRO 74 CO 0.57 0.05 -0.46 0.87 -0.23 0.00 0.00 178.00 178.81 1n18 h LYS 75 N 0.00 0.00 -7.12 0.86 1.57 -1.94 -3.46 116.57 106.48 1n18 h LYS 75 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1n18 h LYS 75 Cb 0.10 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.47 1n18 h LYS 75 CO 0.01 0.46 0.40 -0.51 -0.57 0.00 0.00 179.45 179.23 1n18 s ASP 76 N -6.44 5.91 -0.04 0.86 -0.00 -0.86 -4.98 116.67 111.11 1n18 s ASP 76 Ca 0.02 1.99 -0.19 0.00 -0.00 0.00 0.00 52.55 54.37 1n18 s ASP 76 Cb 0.09 -2.56 -0.32 0.00 -0.00 0.00 0.00 42.92 40.14 1n18 s ASP 76 CO 0.72 -1.08 0.83 -0.33 -0.00 0.00 0.00 175.17 175.31 1n18 h GLU 77 N 1.05 0.35 -6.29 8.23 5.08 -1.89 -3.41 114.58 117.70 1n18 h GLU 77 Ca -0.49 -0.60 -0.54 0.00 -1.00 0.00 0.00 59.36 56.73 1n18 h GLU 77 Cb 1.24 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.63 1n18 h GLU 77 CO 0.58 1.29 1.14 -2.00 -1.00 0.00 0.00 179.01 179.01 1n18 s GLU 78 N -2.49 3.20 0.12 2.33 2.56 -1.26 -4.91 118.70 118.25 1n18 s GLU 78 Ca -0.14 -0.30 -0.26 0.00 0.00 0.00 0.00 54.97 54.27 1n18 s GLU 78 Cb 0.03 -4.37 0.07 0.00 2.00 0.00 0.00 34.13 31.85 1n18 s GLU 78 CO 0.85 -2.22 0.93 -0.98 -0.56 0.00 0.00 175.26 173.28 1n18 s ARG 79 N 5.74 1.12 0.35 4.30 1.04 -1.17 -4.15 118.95 126.18 1n18 s ARG 79 Ca 0.39 -0.58 -0.23 0.00 -1.04 0.00 0.00 55.73 54.27 1n18 s ARG 79 Cb -0.07 0.41 -0.10 0.00 -2.04 0.00 0.00 34.95 33.15 1n18 s ARG 79 CO 0.12 -0.51 0.92 -1.01 -0.04 0.00 0.00 175.30 174.78 1n18 s HIS 80 N -3.27 3.54 0.38 5.89 3.76 -1.20 -4.63 115.29 119.76 1n18 s HIS 80 Ca 0.10 1.67 0.09 0.00 -0.15 0.00 0.00 55.06 56.77 1n18 s HIS 80 Cb -0.01 -2.86 0.84 0.00 1.11 0.00 0.00 32.58 31.66 1n18 s HIS 80 CO -0.01 0.10 1.93 0.28 -0.85 0.00 0.00 174.74 176.19 1n18 h VAL 81 N 2.34 0.92 -0.10 -0.90 2.07 -1.85 -1.83 116.25 116.90 1n18 h VAL 81 Ca -0.48 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1n18 h VAL 81 Cb 1.19 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1n18 h VAL 81 CO 0.64 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.96 1n18 n GLY 82 N -1.46 -0.38 3.55 2.17 0.00 -0.86 -4.42 105.19 103.80 1n18 n GLY 82 Ca 0.13 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1n18 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n18 s ASP 83 N -1.34 6.17 -0.13 1.61 1.01 -0.69 -0.67 116.67 122.62 1n18 s ASP 83 Ca 0.22 -0.83 0.18 0.00 0.71 0.00 0.00 52.55 52.82 1n18 s ASP 83 Cb 0.11 -2.56 0.74 0.00 1.01 0.00 0.00 42.92 42.21 1n18 s ASP 83 CO 0.17 -1.80 1.64 0.18 0.21 0.00 0.00 175.17 175.57 1n18 n LEU 84 N 9.73 4.89 0.00 1.23 4.77 -0.85 -3.52 117.00 133.25 1n18 n LEU 84 Ca 0.19 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 1n18 n LEU 84 Cb 0.50 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1n18 n LEU 84 CO 0.68 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.13 1n18 n GLY 85 N 1.08 1.43 3.16 -0.72 0.00 -1.19 -4.77 105.19 104.19 1n18 n GLY 85 Ca 0.26 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1n18 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n18 s ASN 86 N -4.00 1.96 0.18 1.61 0.01 -1.26 -0.54 114.94 112.90 1n18 s ASN 86 Ca 0.00 -0.38 0.06 0.00 -0.71 0.00 0.00 52.86 51.84 1n18 s ASN 86 Cb 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 1n18 s ASN 86 CO 0.00 0.15 0.08 0.68 -1.51 0.00 0.00 177.10 176.50 1n18 s VAL 87 N -0.57 4.12 -0.21 1.60 -7.23 -0.63 -4.89 120.40 112.59 1n18 s VAL 87 Ca 0.05 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1n18 s VAL 87 Cb -0.07 -3.11 -0.00 0.00 0.56 0.00 0.00 36.38 33.76 1n18 s VAL 87 CO 0.00 -0.15 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.67 1n18 s THR 88 N -1.82 3.04 -0.18 5.32 2.01 -1.26 -1.92 115.64 120.84 1n18 s THR 88 Ca 0.30 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 1n18 s THR 88 Cb -0.09 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1n18 s THR 88 CO 0.21 0.46 0.31 0.00 -0.69 0.00 0.00 174.62 174.91 1n18 s ALA 89 N 1.39 3.58 1.07 7.40 0.00 0.40 -3.98 121.76 131.62 1n18 s ALA 89 Ca 0.05 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1n18 s ALA 89 Cb -0.14 -2.44 0.20 0.00 0.00 0.00 0.00 23.12 20.74 1n18 s ALA 89 CO -0.05 -0.02 0.98 -0.40 0.00 0.00 0.00 175.76 176.26 1n18 n ASP 90 N 3.84 -0.63 -0.16 0.00 3.85 0.19 -0.75 116.55 122.90 1n18 n ASP 90 Ca -0.11 -1.25 0.16 0.00 -0.71 0.00 0.00 54.79 52.88 1n18 n ASP 90 Cb 0.52 -0.79 0.52 0.00 -1.35 0.00 0.00 41.12 40.01 1n18 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1n18 h LYS 91 N 0.00 0.38 -0.02 0.11 2.10 -1.97 0.28 116.57 117.45 1n18 h LYS 91 Ca -0.33 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1n18 h LYS 91 Cb 0.95 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1n18 h LYS 91 CO 0.23 0.25 0.00 -0.25 -2.00 0.00 0.00 179.45 177.68 1n18 n ASP 92 N -4.47 0.21 0.00 7.07 8.00 -1.26 -4.79 116.55 121.32 1n18 n ASP 92 Ca 0.14 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1n18 n ASP 92 Cb 0.54 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1n18 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n18 n GLY 93 N 0.86 0.46 3.68 0.44 0.00 1.00 -4.72 105.19 106.91 1n18 n GLY 93 Ca 0.16 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1n18 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n18 s VAL 94 N -2.00 4.97 -0.21 1.61 1.01 -1.26 -2.48 120.40 122.05 1n18 s VAL 94 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1n18 s VAL 94 Cb 0.00 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1n18 s VAL 94 CO 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 1n18 s ALA 95 N 0.21 2.59 -0.62 5.51 0.00 0.55 -0.64 121.76 129.36 1n18 s ALA 95 Ca 0.06 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 1n18 s ALA 95 Cb -0.12 -1.50 0.09 0.00 0.00 0.00 0.00 23.12 21.59 1n18 s ALA 95 CO -0.00 -0.52 0.83 -0.51 0.00 0.00 0.00 175.76 175.56 1n18 s ASP 96 N 1.36 6.18 0.08 0.00 -0.00 -1.26 -1.57 116.67 121.46 1n18 s ASP 96 Ca 0.04 -1.20 -0.29 0.00 -0.00 0.00 0.00 52.55 51.10 1n18 s ASP 96 Cb -0.15 -2.36 -0.05 0.00 -0.00 0.00 0.00 42.92 40.36 1n18 s ASP 96 CO -0.07 -1.28 0.91 -0.69 -0.00 0.00 0.00 175.17 174.04 1n18 s VAL 97 N 3.38 4.62 -0.39 -1.27 1.01 -0.02 -4.87 120.40 122.86 1n18 s VAL 97 Ca 0.17 1.94 0.07 0.00 0.00 0.00 0.00 61.98 64.16 1n18 s VAL 97 Cb -0.20 -4.26 0.18 0.00 0.00 0.00 0.00 36.38 32.09 1n18 s VAL 97 CO 0.08 0.31 0.59 -0.55 0.00 0.00 0.00 175.10 175.53 1n18 s SER 98 N 0.12 -1.22 0.29 3.32 0.15 -1.23 -1.47 113.70 113.65 1n18 s SER 98 Ca 0.45 -0.71 0.09 0.00 0.70 0.00 0.00 55.95 56.48 1n18 s SER 98 Cb -0.22 1.81 -0.06 0.00 -1.71 0.00 0.00 66.02 65.84 1n18 s SER 98 CO 0.28 -0.20 -0.13 -0.63 1.20 0.00 0.00 173.24 173.75 1n18 s ILE 99 N 1.97 2.11 -0.03 6.45 1.01 0.30 -4.99 121.20 128.02 1n18 s ILE 99 Ca 0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 60.65 58.53 1n18 s ILE 99 Cb -0.06 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.05 1n18 s ILE 99 CO -0.10 -0.36 0.05 -0.70 0.00 0.00 0.00 174.94 173.83 1n18 s GLU 100 N -3.61 -0.05 0.00 2.79 2.12 -1.26 0.01 118.70 118.71 1n18 s GLU 100 Ca 0.29 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.92 1n18 s GLU 100 Cb -0.00 -0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.02 1n18 s GLU 100 CO 0.13 -0.24 -0.05 0.34 -0.54 0.00 0.00 175.26 174.90 1n18 s ASP 101 N 1.58 0.57 -0.10 -1.70 -1.08 -0.20 -4.97 116.67 110.77 1n18 s ASP 101 Ca -0.03 -0.16 0.13 0.00 -0.52 0.00 0.00 52.55 51.98 1n18 s ASP 101 Cb -0.13 -0.04 0.39 0.00 -1.46 0.00 0.00 42.92 41.68 1n18 s ASP 101 CO -0.03 0.01 1.30 -1.20 0.52 0.00 0.00 175.17 175.77 1n18 n SER 102 N 2.71 3.25 -0.06 -0.34 7.64 -1.26 0.32 113.62 125.87 1n18 n SER 102 Ca -0.14 -2.59 -0.08 0.00 1.01 0.00 0.00 58.87 57.06 1n18 n SER 102 Cb 0.58 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 1n18 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1n18 n VAL 103 N -0.25 0.80 -2.75 0.44 0.31 -1.26 -4.90 118.33 110.72 1n18 n VAL 103 Ca 0.16 -0.39 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1n18 n VAL 103 Cb 0.66 -0.88 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 1n18 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1n18 s ILE 104 N -2.28 4.73 0.05 2.52 -4.36 -1.26 -5.00 121.20 115.59 1n18 s ILE 104 Ca -0.13 0.76 -0.05 0.00 -0.26 0.00 0.00 60.65 60.97 1n18 s ILE 104 Cb 0.04 -3.73 -0.02 0.00 1.25 0.00 0.00 42.46 40.01 1n18 s ILE 104 CO 0.39 -0.56 0.08 -0.55 0.24 0.00 0.00 174.94 174.53 1n18 s SER 105 N -3.14 0.24 0.00 4.36 0.15 -1.26 -4.57 113.70 109.48 1n18 s SER 105 Ca 0.53 -0.64 0.23 0.00 0.70 0.00 0.00 55.95 56.77 1n18 s SER 105 Cb -0.10 0.23 0.54 0.00 -1.71 0.00 0.00 66.02 64.97 1n18 s SER 105 CO 0.31 -0.54 1.47 0.18 1.20 0.00 0.00 173.24 175.86 1n18 n LEU 106 N 0.57 3.63 -3.97 3.45 4.77 -1.26 -1.68 117.00 122.51 1n18 n LEU 106 Ca -0.18 -1.69 -0.12 0.00 -0.03 0.00 0.00 56.01 53.99 1n18 n LEU 106 Cb 0.59 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1n18 n LEU 106 CO 0.24 0.85 0.30 -0.94 -1.33 0.00 0.00 177.39 176.50 1n18 s SER 107 N -1.26 0.46 0.00 -1.43 1.04 -1.26 -2.45 113.70 108.80 1n18 s SER 107 Ca 0.43 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1n18 s SER 107 Cb 0.24 0.73 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1n18 s SER 107 CO 0.32 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1n18 n GLY 108 N -0.54 -0.60 0.31 7.32 0.00 -1.26 -3.71 105.19 106.71 1n18 n GLY 108 Ca -0.03 -1.76 0.16 0.00 0.00 0.00 0.00 46.02 44.39 1n18 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1n18 h ASP 109 N 0.00 0.00 -0.62 1.61 -0.00 -2.01 -2.92 116.42 112.49 1n18 h ASP 109 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.03 56.59 1n18 h ASP 109 Cb 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 39.33 39.02 1n18 h ASP 109 CO 0.00 0.00 -0.47 1.41 -0.00 0.00 0.00 179.24 180.18 1n18 n HIS 110 N -3.75 2.19 -1.78 0.28 8.25 -1.26 -5.06 115.22 114.08 1n18 n HIS 110 Ca -0.03 -2.14 -0.35 0.00 -0.26 0.00 0.00 57.72 54.95 1n18 n HIS 110 Cb 0.10 -0.48 0.06 0.00 1.12 0.00 0.00 29.99 30.78 1n18 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n18 s SER 111 N -3.19 4.84 0.00 0.41 0.15 -1.10 -4.51 113.70 110.29 1n18 s SER 111 Ca 0.50 2.33 0.26 0.00 0.70 0.00 0.00 55.95 59.73 1n18 s SER 111 Cb 0.42 -2.59 0.59 0.00 -1.71 0.00 0.00 66.02 62.73 1n18 s SER 111 CO 0.01 -1.82 1.48 2.30 1.20 0.00 0.00 173.24 176.41 1n18 n ILE 112 N -2.08 0.00 -1.80 6.45 -5.35 -0.68 -4.91 119.36 110.99 1n18 n ILE 112 Ca 0.13 -0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 61.82 1n18 n ILE 112 Cb 0.50 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.39 1n18 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1n18 s ILE 113 N -2.02 2.22 0.00 7.28 -1.09 -1.26 -1.51 121.20 124.81 1n18 s ILE 113 Ca 0.32 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1n18 s ILE 113 Cb 0.20 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1n18 s ILE 113 CO 0.33 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 1n18 n GLY 114 N 3.57 0.82 0.92 6.18 0.00 0.11 -5.00 105.19 111.78 1n18 n GLY 114 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1n18 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n18 n ARG 115 N -2.03 0.97 -5.02 1.61 1.74 -0.57 -2.78 116.66 110.58 1n18 n ARG 115 Ca 0.00 -0.75 -0.32 0.00 -0.77 0.00 0.00 57.85 56.01 1n18 n ARG 115 Cb 0.00 -0.03 -0.16 0.00 -1.02 0.00 0.00 32.46 31.25 1n18 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1n18 s THR 116 N 0.02 2.53 -0.14 0.55 2.01 -0.88 -0.04 115.64 119.70 1n18 s THR 116 Ca 0.13 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1n18 s THR 116 Cb -0.01 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1n18 s THR 116 CO 0.08 0.55 0.39 -0.22 -0.69 0.00 0.00 174.62 174.73 1n18 s LEU 117 N 0.21 4.26 -0.04 4.42 2.96 -0.44 0.17 118.68 130.22 1n18 s LEU 117 Ca -0.12 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 1n18 s LEU 117 Cb -0.16 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 43.98 1n18 s LEU 117 CO 0.06 0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.31 1n18 s VAL 118 N 0.57 1.17 -0.15 1.68 1.01 0.70 -1.85 120.40 123.53 1n18 s VAL 118 Ca 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1n18 s VAL 118 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1n18 s VAL 118 CO 0.07 0.35 -0.05 0.54 0.00 0.00 0.00 175.10 176.01 1n18 s VAL 119 N 0.15 3.75 0.56 2.92 0.11 -0.79 -1.63 120.40 125.46 1n18 s VAL 119 Ca -0.04 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1n18 s VAL 119 Cb -0.11 -2.63 0.05 0.00 -1.53 0.00 0.00 36.38 32.16 1n18 s VAL 119 CO 0.02 0.50 0.77 -1.00 -3.33 0.00 0.00 175.10 172.06 1n18 s HIS 120 N 0.36 2.54 -0.03 1.54 3.76 0.12 -2.05 115.29 121.54 1n18 s HIS 120 Ca -0.05 -0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.47 1n18 s HIS 120 Cb -0.14 -2.68 -0.14 0.00 1.11 0.00 0.00 32.58 30.72 1n18 s HIS 120 CO 0.03 -0.94 0.94 1.49 -0.85 0.00 0.00 174.74 175.41 1n18 h GLU 121 N 0.09 -0.36 -6.55 1.40 4.81 -0.54 -3.40 114.58 110.04 1n18 h GLU 121 Ca -0.40 0.02 -0.45 0.00 -0.13 0.00 0.00 59.36 58.41 1n18 h GLU 121 Cb 1.29 0.08 0.03 0.00 0.63 0.00 0.00 28.75 30.78 1n18 h GLU 121 CO 0.48 -0.01 -0.18 0.15 -0.73 0.00 0.00 179.01 178.72 1n18 s LYS 122 N -3.81 2.60 0.54 1.92 1.02 0.86 -4.87 119.74 118.00 1n18 s LYS 122 Ca -0.12 -1.36 -0.17 0.00 0.02 0.00 0.00 55.97 54.34 1n18 s LYS 122 Cb 0.01 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.56 1n18 s LYS 122 CO 0.45 -0.53 1.02 0.00 -0.92 0.00 0.00 175.35 175.36 1n18 s ALA 123 N -2.50 2.91 -0.18 5.17 0.00 -1.20 -1.24 121.76 124.72 1n18 s ALA 123 Ca 0.58 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1n18 s ALA 123 Cb -0.08 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1n18 s ALA 123 CO 0.36 -0.45 0.61 0.34 0.00 0.00 0.00 175.76 176.62 1n18 s ASP 124 N -2.78 6.70 0.00 0.00 3.68 -1.26 -4.09 116.67 118.92 1n18 s ASP 124 Ca 0.62 0.85 0.14 0.00 2.13 0.00 0.00 52.55 56.29 1n18 s ASP 124 Cb -0.13 -2.34 0.72 0.00 -1.45 0.00 0.00 42.92 39.72 1n18 s ASP 124 CO 0.31 -0.22 1.48 -0.90 0.13 0.00 0.00 175.17 175.97 1n18 n ASP 125 N 4.76 0.45 -2.28 -0.34 3.85 -0.51 -4.89 116.55 117.59 1n18 n ASP 125 Ca -0.02 -1.65 -0.20 0.00 -0.71 0.00 0.00 54.79 52.20 1n18 n ASP 125 Cb 0.50 -0.04 -0.02 0.00 -1.35 0.00 0.00 41.12 40.22 1n18 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1n18 n LEU 126 N -0.42 -1.90 -0.14 -2.12 4.77 -1.26 -2.45 117.00 113.48 1n18 n LEU 126 Ca 0.11 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1n18 n LEU 126 Cb 0.11 -2.89 -0.01 0.00 -2.33 0.00 0.00 43.42 38.31 1n18 n LEU 126 CO 0.08 -0.28 -0.02 0.61 -1.33 0.00 0.00 177.39 176.46 1n18 n GLY 127 N -0.98 0.50 2.12 -0.72 0.00 -1.24 -3.64 105.19 101.23 1n18 n GLY 127 Ca -0.24 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 1n18 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n18 n LYS 128 N -2.05 3.54 0.05 1.61 4.76 -1.02 -4.59 118.16 120.45 1n18 n LYS 128 Ca -0.02 -4.18 -0.04 0.00 -2.87 0.00 0.00 58.31 51.20 1n18 n LYS 128 Cb 0.17 -2.28 -0.09 0.00 -1.84 0.00 0.00 35.03 31.00 1n18 n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1n18 h GLY 129 N 2.25 0.00 0.00 0.72 0.00 -1.89 -3.48 103.07 100.67 1n18 h GLY 129 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1n18 h GLY 129 CO 0.82 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.97 1n18 n GLY 130 N 1.38 0.76 3.36 4.60 0.00 -1.26 -5.05 105.19 108.97 1n18 n GLY 130 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1n18 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n18 s ASN 131 N -2.46 2.02 0.34 1.61 2.20 -1.26 -5.05 114.94 112.34 1n18 s ASN 131 Ca 0.00 -1.23 0.02 0.00 -0.94 0.00 0.00 52.86 50.71 1n18 s ASN 131 Cb 0.00 -0.03 0.59 0.00 -2.00 0.00 0.00 41.25 39.82 1n18 s ASN 131 CO 0.00 -0.50 1.97 -0.08 -2.94 0.00 0.00 177.10 175.56 1n18 h GLU 132 N 2.41 0.81 -0.08 3.55 4.81 -2.00 -2.25 114.58 121.83 1n18 h GLU 132 Ca -0.39 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1n18 h GLU 132 Cb 1.23 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1n18 h GLU 132 CO 0.65 0.58 -0.08 1.49 -0.73 0.00 0.00 179.01 180.93 1n18 h GLU 133 N 0.82 0.12 -0.05 1.92 4.57 -2.00 -2.09 114.58 117.87 1n18 h GLU 133 Ca 0.21 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1n18 h GLU 133 Cb -0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1n18 h GLU 133 CO -0.04 0.21 -0.49 1.03 -1.18 0.00 0.00 179.01 178.54 1n18 h SER 134 N 0.12 0.14 1.01 1.04 0.87 -1.74 0.80 113.55 115.78 1n18 h SER 134 Ca 0.03 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1n18 h SER 134 Cb 0.22 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1n18 h SER 134 CO 0.01 0.61 0.00 0.35 -0.53 0.00 0.00 176.83 177.27 1n18 n THR 135 N -3.95 0.54 -0.07 2.23 -2.24 -0.80 -1.94 114.28 108.05 1n18 n THR 135 Ca -0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1n18 n THR 135 Cb 0.53 -0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 67.95 1n18 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n18 n LYS 136 N -1.90 0.30 0.00 -0.78 5.02 -1.01 -0.52 118.16 119.27 1n18 n LYS 136 Ca 0.05 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1n18 n LYS 136 Cb 0.32 -1.02 -0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1n18 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n18 n THR 137 N -3.59 0.00 -1.20 -0.18 -2.24 0.24 -4.74 114.28 102.57 1n18 n THR 137 Ca -0.28 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 60.94 1n18 n THR 137 Cb 0.70 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1n18 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n18 n GLY 138 N 0.63 0.87 3.78 3.38 0.00 -0.82 -2.76 105.19 110.28 1n18 n GLY 138 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1n18 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n18 n ASN 139 N -0.04 -5.25 0.19 1.61 3.02 -1.24 -1.42 115.26 112.13 1n18 n ASN 139 Ca -0.07 -0.68 0.14 0.00 -0.03 0.00 0.00 54.58 53.93 1n18 n ASN 139 Cb 0.32 -4.17 0.42 0.00 -0.61 0.00 0.00 39.78 35.74 1n18 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n18 h ALA 140 N 0.98 1.00 -0.16 5.41 0.00 -1.66 -3.43 119.26 121.40 1n18 h ALA 140 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1n18 h ALA 140 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1n18 h ALA 140 CO 0.64 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1n18 n GLY 141 N 0.68 0.38 3.74 0.00 0.00 -1.26 -0.10 105.19 108.63 1n18 n GLY 141 Ca 0.03 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1n18 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n18 s SER 142 N -4.00 4.70 -0.53 1.61 0.15 -1.26 -4.71 113.70 109.66 1n18 s SER 142 Ca 0.00 2.54 -0.19 0.00 0.70 0.00 0.00 55.95 59.01 1n18 s SER 142 Cb 0.00 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.77 1n18 s SER 142 CO 0.00 -1.94 0.63 -0.13 1.20 0.00 0.00 173.24 173.00 1n18 s ARG 143 N -3.42 3.08 0.12 5.44 0.52 -1.26 -0.18 118.95 123.26 1n18 s ARG 143 Ca 0.81 -1.08 -0.10 0.00 -0.52 0.00 0.00 55.73 54.84 1n18 s ARG 143 Cb -0.35 -4.16 -0.10 0.00 0.52 0.00 0.00 34.95 30.86 1n18 s ARG 143 CO 0.39 -1.31 1.34 -0.07 0.02 0.00 0.00 175.30 175.66 1n18 h LEU 144 N 9.70 0.83 -7.22 2.53 3.38 -1.69 -3.47 115.31 119.38 1n18 h LEU 144 Ca -0.28 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.09 1n18 h LEU 144 Cb 1.09 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 1n18 h LEU 144 CO 1.00 1.33 0.04 0.00 0.09 0.00 0.00 178.44 180.90 1n18 s ALA 145 N -3.71 -1.27 0.27 1.53 0.00 -1.19 -4.18 121.76 113.21 1n18 s ALA 145 Ca -0.09 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1n18 s ALA 145 Cb 0.09 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1n18 s ALA 145 CO 0.89 -0.59 0.65 0.00 0.00 0.00 0.00 175.76 176.71 1n18 s GLY 147 N -2.95 -0.33 0.20 0.00 0.00 -0.77 -0.96 107.32 102.50 1n18 s GLY 147 Ca 0.15 2.03 -0.30 0.00 0.00 0.00 0.00 44.72 46.60 1n18 s GLY 147 CO 0.08 1.28 1.17 0.14 0.00 0.00 0.00 173.10 175.76 1n18 s VAL 148 N -0.66 3.60 -0.51 1.40 1.01 -1.26 -1.32 120.40 122.64 1n18 s VAL 148 Ca -0.02 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 1n18 s VAL 148 Cb -0.02 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1n18 s VAL 148 CO 0.02 0.24 1.17 -0.63 0.00 0.00 0.00 175.10 175.90 1n18 s ILE 149 N -0.27 4.12 0.30 2.22 1.01 0.94 -4.48 121.20 125.05 1n18 s ILE 149 Ca 0.51 1.10 0.08 0.00 0.00 0.00 0.00 60.65 62.33 1n18 s ILE 149 Cb -0.32 -4.64 -0.04 0.00 0.01 0.00 0.00 42.46 37.47 1n18 s ILE 149 CO 0.37 -1.13 0.16 -0.83 0.00 0.00 0.00 174.94 173.52 1n18 s GLY 150 N 2.70 1.72 0.16 6.18 0.00 -0.26 0.07 107.32 117.90 1n18 s GLY 150 Ca 0.47 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 1n18 s GLY 150 CO 0.30 -1.64 1.21 -0.42 0.00 0.00 0.00 173.10 172.55 1n18 s ILE 151 N -2.31 3.63 0.23 0.90 1.01 -1.26 -1.05 121.20 122.35 1n18 s ILE 151 Ca 0.36 1.32 0.11 0.00 0.00 0.00 0.00 60.65 62.44 1n18 s ILE 151 Cb -0.05 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1n18 s ILE 151 CO 0.24 0.19 -0.17 0.00 0.00 0.00 0.00 174.94 175.19 1n18 s ALA 152 N 0.21 2.76 -2.00 9.38 0.00 -0.28 -4.79 121.76 127.05 1n18 s ALA 152 Ca 0.55 -1.69 0.19 0.00 0.00 0.00 0.00 51.96 51.00 1n18 s ALA 152 Cb -0.32 -0.44 1.13 0.00 0.00 0.00 0.00 23.12 23.48 1n18 s ALA 152 CO 0.35 0.36 1.52 0.94 0.00 0.00 0.00 175.76 178.93