#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 1.49 -4.25 0.00 -1.04 -1.26 -4.69 114.28 104.54 1n18 n THR 2 Ca 0.00 -0.79 -0.22 0.00 -2.04 0.00 0.00 64.05 61.00 1n18 n THR 2 Cb 0.00 -0.83 -0.12 0.00 -1.82 0.00 0.00 70.33 67.55 1n18 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1n18 s LYS 3 N -2.53 1.02 0.10 -2.82 1.02 -1.26 0.37 119.74 115.64 1n18 s LYS 3 Ca -0.13 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 1n18 s LYS 3 Cb 0.07 -1.17 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 1n18 s LYS 3 CO 0.79 0.27 0.29 0.00 -0.92 0.00 0.00 175.35 175.78 1n18 s ALA 4 N -1.28 -0.59 0.02 5.17 0.00 -0.32 -0.81 121.76 123.96 1n18 s ALA 4 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1n18 s ALA 4 Cb -0.10 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1n18 s ALA 4 CO 0.04 -0.55 0.18 0.54 0.00 0.00 0.00 175.76 175.96 1n18 s VAL 5 N -3.64 0.10 -0.03 0.00 0.11 0.19 -0.50 120.40 116.63 1n18 s VAL 5 Ca 0.03 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1n18 s VAL 5 Cb 0.03 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1n18 s VAL 5 CO -0.10 -0.45 0.05 0.00 -3.33 0.00 0.00 175.10 171.27 1n18 s ALA 6 N -2.10 0.04 -0.27 1.54 0.00 -0.46 -0.44 121.76 120.06 1n18 s ALA 6 Ca -0.09 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1n18 s ALA 6 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1n18 s ALA 6 CO -0.02 -0.16 0.14 0.08 0.00 0.00 0.00 175.76 175.81 1n18 s VAL 7 N 1.21 4.82 -0.13 0.00 1.01 -1.26 -1.28 120.40 124.76 1n18 s VAL 7 Ca -0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1n18 s VAL 7 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1n18 s VAL 7 CO -0.03 0.25 0.46 -0.76 0.00 0.00 0.00 175.10 175.01 1n18 s LEU 8 N 1.68 4.26 0.04 3.92 1.43 0.92 -3.89 118.68 127.04 1n18 s LEU 8 Ca 0.06 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 1n18 s LEU 8 Cb -0.16 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1n18 s LEU 8 CO 0.07 -0.00 0.28 -0.54 0.23 0.00 0.00 176.35 176.39 1n18 s LYS 9 N 0.69 0.78 0.00 1.70 1.02 -0.28 -2.25 119.74 121.40 1n18 s LYS 9 Ca 0.25 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1n18 s LYS 9 Cb -0.15 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1n18 s LYS 9 CO 0.09 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 1n18 n GLY 10 N 0.60 3.33 0.10 -3.33 0.00 -1.25 -1.07 105.19 103.57 1n18 n GLY 10 Ca -0.19 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.09 1n18 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n18 n ASP 11 N -0.04 0.78 0.00 1.61 8.00 -1.26 -4.87 116.55 120.77 1n18 n ASP 11 Ca 0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1n18 n ASP 11 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1n18 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n18 n GLY 12 N 1.32 3.39 0.13 0.44 0.00 -1.26 -5.03 105.19 104.17 1n18 n GLY 12 Ca 0.06 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 0.44 -2.02 1.61 -0.04 -1.26 -4.92 135.00 128.80 1n18 n PRO 13 Ca 0.00 -0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 62.79 1n18 n PRO 13 Cb 0.00 -1.49 -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 -2.74 3.00 0.09 0.52 1.01 -1.26 -4.49 120.40 116.54 1n18 s VAL 14 Ca 0.18 0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.56 1n18 s VAL 14 Cb 0.18 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 33.22 1n18 s VAL 14 CO 0.60 0.03 0.62 0.00 0.00 0.00 0.00 175.10 176.35 1n18 s GLN 15 N 1.57 1.20 0.00 2.72 -2.07 -0.76 -3.89 119.66 118.44 1n18 s GLN 15 Ca 0.69 -0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.98 1n18 s GLN 15 Cb -0.40 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1n18 s GLN 15 CO 0.31 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 1n18 n GLY 16 N 0.03 -0.37 2.94 2.60 0.00 -0.96 -0.90 105.19 108.54 1n18 n GLY 16 Ca -0.18 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 1n18 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n18 s ILE 17 N -2.00 1.17 -0.13 -0.61 1.01 -0.93 -0.05 121.20 119.66 1n18 s ILE 17 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1n18 s ILE 17 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1n18 s ILE 17 CO 0.00 0.39 -0.18 -0.63 0.00 0.00 0.00 174.94 174.52 1n18 s ILE 18 N 1.56 2.57 0.06 2.92 -1.09 -0.40 -2.36 121.20 124.46 1n18 s ILE 18 Ca 0.03 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1n18 s ILE 18 Cb -0.13 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 1n18 s ILE 18 CO -0.08 0.54 0.14 0.20 -1.23 0.00 0.00 174.94 174.51 1n18 s ASN 19 N 0.48 5.94 -0.02 3.58 0.01 0.26 -1.36 114.94 123.84 1n18 s ASN 19 Ca -0.12 0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.20 1n18 s ASN 19 Cb -0.16 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.76 1n18 s ASN 19 CO 0.05 0.18 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.35 1n18 s PHE 20 N -1.42 1.05 -0.10 2.20 0.08 0.34 -1.58 117.98 118.56 1n18 s PHE 20 Ca 0.31 -0.22 -0.04 0.00 0.12 0.00 0.00 56.93 57.09 1n18 s PHE 20 Cb -0.13 -0.70 0.05 0.00 -0.57 0.00 0.00 43.02 41.67 1n18 s PHE 20 CO 0.24 -0.05 0.22 -2.00 -0.10 0.00 0.00 175.22 173.53 1n18 s GLU 21 N -0.13 0.16 -0.29 0.44 2.12 -0.39 -1.17 118.70 119.44 1n18 s GLU 21 Ca 0.02 0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.87 1n18 s GLU 21 Cb -0.06 -0.14 0.09 0.00 0.26 0.00 0.00 34.13 34.28 1n18 s GLU 21 CO -0.00 -0.18 0.04 -1.14 -0.54 0.00 0.00 175.26 173.44 1n18 s GLN 22 N 1.40 1.12 0.13 4.30 0.74 0.16 -0.50 119.66 127.02 1n18 s GLN 22 Ca -0.08 -1.19 -0.12 0.00 0.05 0.00 0.00 55.36 54.02 1n18 s GLN 22 Cb -0.11 -2.44 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 1n18 s GLN 22 CO -0.08 -0.85 1.48 -0.22 -0.55 0.00 0.00 175.29 175.07 1n18 h LYS 23 N 7.95 0.87 -6.10 1.67 3.64 -1.82 -3.41 116.57 119.38 1n18 h LYS 23 Ca -0.13 -0.43 -0.67 0.00 -1.27 0.00 0.00 60.65 58.16 1n18 h LYS 23 Cb 1.04 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.73 1n18 h LYS 23 CO 0.46 1.08 -0.63 -1.21 -2.27 0.00 0.00 179.45 176.88 1n18 s GLU 24 N -4.47 2.86 0.16 1.90 2.02 -1.26 -5.02 118.70 114.89 1n18 s GLU 24 Ca -0.12 -0.56 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 1n18 s GLU 24 Cb 0.11 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.64 1n18 s GLU 24 CO 0.86 0.64 1.57 1.03 0.02 0.00 0.00 175.26 179.38 1n18 h SER 25 N 4.40 -1.41 -0.72 -0.19 0.87 -1.97 -0.78 113.55 113.75 1n18 h SER 25 Ca -0.49 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1n18 h SER 25 Cb 1.18 0.63 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1n18 h SER 25 CO 0.58 -0.35 0.00 -0.46 -0.53 0.00 0.00 176.83 176.07 1n18 n ASN 26 N -5.41 3.97 -4.26 6.23 0.23 -1.26 -4.83 115.26 109.92 1n18 n ASN 26 Ca 0.01 -2.02 -0.30 0.00 -0.53 0.00 0.00 54.58 51.74 1n18 n ASN 26 Cb 0.35 -0.49 0.18 0.00 -2.08 0.00 0.00 39.78 37.75 1n18 n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1n18 s GLY 27 N -1.00 1.66 0.74 4.83 0.00 -0.30 -5.04 107.32 108.22 1n18 s GLY 27 Ca 0.48 -0.92 -0.13 0.00 0.00 0.00 0.00 44.72 44.15 1n18 s GLY 27 CO 0.32 -0.19 1.12 2.56 0.00 0.00 0.00 173.10 176.91 1n18 s PRO 28 N -5.58 2.26 -0.17 2.90 0.04 -1.26 -4.84 135.00 128.34 1n18 s PRO 28 Ca 0.70 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1n18 s PRO 28 Cb -0.09 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1n18 s PRO 28 CO 0.54 -1.67 -0.10 0.08 0.04 0.00 0.00 177.00 175.88 1n18 s VAL 29 N -2.52 3.09 -0.00 -0.36 1.01 -0.08 -4.38 120.40 117.15 1n18 s VAL 29 Ca 0.66 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1n18 s VAL 29 Cb -0.21 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1n18 s VAL 29 CO 0.49 0.48 0.74 -0.54 0.00 0.00 0.00 175.10 176.28 1n18 s LYS 30 N 0.93 4.46 -0.15 2.72 1.02 0.34 -2.01 119.74 127.06 1n18 s LYS 30 Ca -0.02 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.97 1n18 s LYS 30 Cb -0.15 -3.40 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1n18 s LYS 30 CO -0.00 0.19 -0.13 0.08 -0.92 0.00 0.00 175.35 174.57 1n18 s VAL 31 N 0.30 1.51 0.06 3.17 1.01 0.95 -1.27 120.40 126.14 1n18 s VAL 31 Ca 0.38 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1n18 s VAL 31 Cb -0.19 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1n18 s VAL 31 CO 0.21 0.41 0.24 -1.66 0.00 0.00 0.00 175.10 174.30 1n18 s TRP 32 N 1.50 0.02 -0.94 5.22 -2.14 -0.61 0.05 118.94 122.04 1n18 s TRP 32 Ca 0.04 -0.29 0.00 0.00 2.66 0.00 0.00 56.10 58.51 1n18 s TRP 32 Cb -0.13 0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.26 1n18 s TRP 32 CO -0.10 -0.51 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 1n18 n GLY 33 N 0.36 -0.53 3.54 3.67 0.00 -0.72 0.91 105.19 112.41 1n18 n GLY 33 Ca -0.17 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.57 -0.04 1.61 0.15 -0.99 -2.29 113.70 107.56 1n18 s SER 34 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1n18 s SER 34 Cb 0.00 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1n18 s SER 34 CO 0.00 -0.53 -0.02 -0.63 1.20 0.00 0.00 173.24 173.26 1n18 s ILE 35 N -1.19 0.39 0.34 6.45 1.01 -0.24 -2.19 121.20 125.77 1n18 s ILE 35 Ca -0.08 -0.01 0.10 0.00 0.00 0.00 0.00 60.65 60.66 1n18 s ILE 35 Cb -0.00 -0.46 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 1n18 s ILE 35 CO 0.07 0.21 -0.10 -1.59 0.00 0.00 0.00 174.94 173.53 1n18 s LYS 36 N 1.14 1.81 0.00 2.79 -2.85 -0.08 0.07 119.74 122.62 1n18 s LYS 36 Ca -0.08 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 52.97 1n18 s LYS 36 Cb -0.14 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.92 1n18 s LYS 36 CO -0.01 0.16 0.00 0.41 0.10 0.00 0.00 175.35 176.00 1n18 n GLY 37 N -0.78 0.73 3.95 0.59 0.00 -1.05 -1.83 105.19 106.80 1n18 n GLY 37 Ca -0.05 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.16 0.04 0.99 1.43 -0.96 -4.23 118.68 120.12 1n18 s LEU 38 Ca 0.00 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.14 1n18 s LEU 38 Cb 0.00 -3.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1n18 s LEU 38 CO 0.00 -0.17 0.77 0.42 0.23 0.00 0.00 176.35 177.59 1n18 s THR 39 N -2.13 4.74 0.08 5.49 -4.23 -1.26 -4.08 115.64 114.25 1n18 s THR 39 Ca 0.37 1.63 -0.36 0.00 -1.18 0.00 0.00 61.69 62.15 1n18 s THR 39 Cb -0.10 -4.11 -0.18 0.00 1.34 0.00 0.00 72.50 69.45 1n18 s THR 39 CO 0.32 0.36 1.06 1.21 -0.54 0.00 0.00 174.62 177.04 1n18 n GLU 40 N 2.84 0.45 0.00 3.99 2.13 -1.26 -4.70 120.64 124.09 1n18 n GLU 40 Ca -0.02 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1n18 n GLU 40 Cb 0.50 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.59 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 1.87 0.71 3.86 8.31 0.00 -0.01 -4.93 105.19 115.00 1n18 n GLY 41 Ca 0.18 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 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 4.05 -0.11 0.99 1.43 -1.26 -0.15 118.68 123.64 1n18 s LEU 42 Ca 0.00 1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 1n18 s LEU 42 Cb 0.00 -3.92 0.05 0.00 0.03 0.00 0.00 46.19 42.34 1n18 s LEU 42 CO 0.00 -0.20 0.26 -1.00 0.23 0.00 0.00 176.35 175.65 1n18 s HIS 43 N -2.00 -0.35 0.43 0.29 3.76 -0.62 -3.72 115.29 113.07 1n18 s HIS 43 Ca 0.51 0.83 -0.24 0.00 -0.15 0.00 0.00 55.06 56.00 1n18 s HIS 43 Cb -0.11 0.08 -0.10 0.00 1.11 0.00 0.00 32.58 33.56 1n18 s HIS 43 CO 0.21 -0.23 1.07 0.41 -0.85 0.00 0.00 174.74 175.35 1n18 n GLY 44 N 4.09 -0.03 2.67 -2.22 0.00 0.06 -1.69 105.19 108.07 1n18 n GLY 44 Ca -0.24 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.26 -0.05 0.20 1.61 5.36 0.09 -0.18 117.98 123.76 1n18 s PHE 45 Ca 0.63 -0.22 -0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1n18 s PHE 45 Cb -0.54 -0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 41.53 1n18 s PHE 45 CO 0.57 -0.67 0.22 -1.01 -1.46 0.00 0.00 175.22 172.86 1n18 s HIS 46 N 2.23 0.85 -0.25 10.12 3.76 -0.73 -2.17 115.29 129.09 1n18 s HIS 46 Ca 0.06 -1.14 -0.07 0.00 -0.15 0.00 0.00 55.06 53.76 1n18 s HIS 46 Cb -0.16 -0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1n18 s HIS 46 CO -0.20 -0.72 0.08 0.08 -0.85 0.00 0.00 174.74 173.13 1n18 s VAL 47 N -4.09 4.34 0.31 -0.90 1.01 -0.24 0.09 120.40 120.92 1n18 s VAL 47 Ca 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1n18 s VAL 47 Cb 0.05 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1n18 s VAL 47 CO 0.09 0.32 0.57 -1.00 0.00 0.00 0.00 175.10 175.08 1n18 s HIS 48 N 1.62 3.49 0.15 5.22 3.76 0.23 -0.03 115.29 129.72 1n18 s HIS 48 Ca 0.06 0.60 -0.21 0.00 -0.15 0.00 0.00 55.06 55.36 1n18 s HIS 48 Cb -0.15 -2.08 0.04 0.00 1.11 0.00 0.00 32.58 31.50 1n18 s HIS 48 CO 0.04 0.13 1.65 1.49 -0.85 0.00 0.00 174.74 177.19 1n18 h GLU 49 N 1.39 -0.16 -5.52 1.40 4.81 -0.77 -2.62 114.58 113.10 1n18 h GLU 49 Ca -0.48 0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.12 1n18 h GLU 49 Cb 1.20 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.50 1n18 h GLU 49 CO 0.65 -0.11 -0.52 -0.06 -0.73 0.00 0.00 179.01 178.24 1n18 s PHE 50 N -6.13 3.41 -0.63 0.92 0.08 -0.39 -4.64 117.98 110.60 1n18 s PHE 50 Ca -0.14 0.33 -0.04 0.00 0.12 0.00 0.00 56.93 57.19 1n18 s PHE 50 Cb 0.13 -2.00 0.09 0.00 -0.57 0.00 0.00 43.02 40.66 1n18 s PHE 50 CO 0.69 0.46 2.66 0.41 -0.10 0.00 0.00 175.22 179.34 1n18 n GLY 51 N 2.72 4.57 3.19 4.36 0.00 -1.08 -3.77 105.19 115.19 1n18 n GLY 51 Ca -0.18 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 0.27 5.19 -0.34 1.61 3.68 -1.26 -4.94 116.67 120.87 1n18 s ASP 52 Ca 0.58 -1.52 0.09 0.00 2.13 0.00 0.00 52.55 53.82 1n18 s ASP 52 Cb 0.35 -1.82 0.67 0.00 -1.45 0.00 0.00 42.92 40.67 1n18 s ASP 52 CO -0.21 -0.40 1.75 -3.20 0.13 0.00 0.00 175.17 173.24 1n18 n ASN 53 N 4.69 4.07 0.15 -0.34 4.05 -1.26 -3.20 115.26 123.41 1n18 n ASN 53 Ca -0.09 -3.40 0.13 0.00 0.45 0.00 0.00 54.58 51.67 1n18 n ASN 53 Cb 0.43 -0.74 0.46 0.00 1.23 0.00 0.00 39.78 41.16 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 1.86 0.00 -2.19 -0.44 1.35 -1.93 -3.34 112.91 108.23 1n18 h THR 54 Ca 0.34 -0.43 -0.58 0.00 -0.55 0.00 0.00 66.41 65.19 1n18 h THR 54 Cb 2.29 1.32 -0.39 0.00 -1.73 0.00 0.00 68.15 69.64 1n18 h THR 54 CO 0.74 0.00 -1.00 0.00 -0.25 0.00 0.00 175.52 175.00 1n18 n ALA 55 N -1.86 2.74 -0.61 6.62 0.00 -1.26 -5.05 120.51 121.10 1n18 n ALA 55 Ca 0.03 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1n18 n ALA 55 Cb 0.34 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.90 1.24 0.26 0.00 0.00 -1.26 -1.89 105.19 105.44 1n18 n GLY 56 Ca 0.25 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 1.29 1.27 0.00 0.00 2.02 -1.71 -3.08 112.91 112.70 1n18 h THR 58 Ca 0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1n18 h THR 58 Cb 0.42 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1n18 h THR 58 CO 0.00 0.52 0.00 -1.54 0.37 0.00 0.00 175.52 174.87 1n18 n SER 59 N -4.06 0.00 0.00 4.18 3.41 -1.00 -2.20 113.62 113.95 1n18 n SER 59 Ca -0.02 -0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1n18 n SER 59 Cb 0.55 -0.09 0.53 0.00 -0.26 0.00 0.00 64.21 64.94 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 -1.09 2.11 -0.55 7.33 0.00 -1.17 -4.44 120.51 122.71 1n18 n ALA 60 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1n18 n ALA 60 Cb 0.06 -1.38 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 0.83 -0.08 2.40 0.00 0.00 -0.93 -1.26 105.19 106.14 1n18 n GLY 61 Ca 0.08 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -1.05 -2.06 1.61 -0.04 -1.26 -4.69 135.00 127.51 1n18 n PRO 62 Ca 0.00 -1.27 -0.37 0.00 -0.04 0.00 0.00 63.50 61.82 1n18 n PRO 62 Cb 0.00 -0.89 0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 -2.75 2.57 -0.19 0.54 3.76 -1.26 -0.50 115.29 117.46 1n18 s HIS 63 Ca 0.47 1.48 -0.28 0.00 -0.15 0.00 0.00 55.06 56.58 1n18 s HIS 63 Cb -0.02 -3.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.09 1n18 s HIS 63 CO 0.34 -2.10 2.15 0.12 -0.85 0.00 0.00 174.74 174.39 1n18 s PHE 64 N -1.49 1.23 -0.43 1.40 5.99 0.95 -4.31 117.98 121.32 1n18 s PHE 64 Ca 0.70 0.40 0.07 0.00 0.00 0.00 0.00 56.93 58.10 1n18 s PHE 64 Cb -0.32 -3.98 0.24 0.00 0.00 0.00 0.00 43.02 38.95 1n18 s PHE 64 CO 0.38 -4.22 0.54 -1.71 -0.00 0.00 0.00 175.22 170.21 1n18 n ASN 65 N 10.98 0.66 0.12 6.13 5.15 -1.26 -1.37 115.26 135.68 1n18 n ASN 65 Ca 0.28 -2.78 0.12 0.00 -0.60 0.00 0.00 54.58 51.60 1n18 n ASN 65 Cb 0.45 -0.64 0.48 0.00 -0.53 0.00 0.00 39.78 39.54 1n18 n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1n18 n PRO 66 N 1.47 0.18 -0.21 1.20 -0.04 -1.26 -2.51 135.00 133.83 1n18 n PRO 66 Ca 0.23 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 64.21 1n18 n PRO 66 Cb 0.51 -1.85 0.21 0.00 -0.04 0.00 0.00 33.50 32.33 1n18 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n18 n LEU 67 N -2.20 3.36 -4.15 1.53 4.77 -1.26 -4.98 117.00 114.07 1n18 n LEU 67 Ca 0.02 -1.67 -0.30 0.00 -0.03 0.00 0.00 56.01 54.03 1n18 n LEU 67 Cb 0.22 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1n18 n LEU 67 CO 0.19 0.77 -0.28 -1.20 -1.33 0.00 0.00 177.39 175.54 1n18 n SER 68 N 1.28 -0.42 -5.01 -1.43 7.64 -1.04 -4.96 113.62 109.67 1n18 n SER 68 Ca 0.18 -1.11 -0.19 0.00 1.01 0.00 0.00 58.87 58.76 1n18 n SER 68 Cb 0.55 -2.45 0.05 0.00 -1.01 0.00 0.00 64.21 61.35 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 -6.92 2.41 0.18 1.43 1.81 -1.26 -5.10 118.95 111.50 1n18 s ARG 69 Ca 0.16 -1.51 -0.09 0.00 -1.72 0.00 0.00 55.73 52.57 1n18 s ARG 69 Cb -0.09 -2.66 -0.07 0.00 -0.45 0.00 0.00 34.95 31.68 1n18 s ARG 69 CO 0.94 -0.74 0.49 0.15 -0.68 0.00 0.00 175.30 175.46 1n18 s LYS 70 N -4.61 3.77 0.51 3.54 1.02 -1.26 -4.77 119.74 117.94 1n18 s LYS 70 Ca 0.60 0.20 -0.20 0.00 0.02 0.00 0.00 55.97 56.59 1n18 s LYS 70 Cb -0.07 -2.76 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 1n18 s LYS 70 CO 0.38 0.40 0.71 1.58 -0.92 0.00 0.00 175.35 177.49 1n18 n HIS 71 N 0.13 0.01 -2.88 3.18 -0.00 0.08 -3.04 115.22 112.70 1n18 n HIS 71 Ca -0.02 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.20 1n18 n HIS 71 Cb 0.52 -2.05 0.00 0.00 -0.00 0.00 0.00 29.99 28.46 1n18 n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1n18 n GLY 72 N 1.57 1.98 3.93 1.57 0.00 -1.25 -4.43 105.19 108.56 1n18 n GLY 72 Ca 0.11 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.00 1.49 0.30 -0.02 0.00 -1.20 -4.63 107.32 102.27 1n18 s GLY 73 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 1n18 s GLY 73 CO 0.00 -0.66 1.96 -0.56 0.00 0.00 0.00 173.10 173.84 1n18 h PRO 74 N 0.36 1.08 -0.61 2.90 0.13 -1.86 -1.79 132.00 132.21 1n18 h PRO 74 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1n18 h PRO 74 Cb 1.23 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1n18 h PRO 74 CO 0.60 0.71 0.00 1.63 -0.23 0.00 0.00 178.00 180.71 1n18 n LYS 75 N -4.42 2.95 -3.14 0.86 4.76 -1.26 -4.93 118.16 112.98 1n18 n LYS 75 Ca 0.10 -2.19 -0.28 0.00 -2.87 0.00 0.00 58.31 53.07 1n18 n LYS 75 Cb 0.05 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.53 1n18 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1n18 s ASP 76 N -0.85 6.41 0.02 4.39 -0.00 -0.67 -5.03 116.67 120.93 1n18 s ASP 76 Ca 0.40 0.79 -0.18 0.00 -0.00 0.00 0.00 52.55 53.56 1n18 s ASP 76 Cb 0.24 -2.18 -0.10 0.00 -0.00 0.00 0.00 42.92 40.88 1n18 s ASP 76 CO 0.21 -0.31 1.08 -0.33 -0.00 0.00 0.00 175.17 175.81 1n18 h GLU 77 N 1.24 -0.63 -5.76 8.23 5.08 -1.92 -3.42 114.58 117.40 1n18 h GLU 77 Ca -0.48 0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.34 1n18 h GLU 77 Cb 1.20 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.50 1n18 h GLU 77 CO 0.64 -0.42 0.17 -2.00 -1.00 0.00 0.00 179.01 176.40 1n18 s GLU 78 N -4.10 4.26 0.02 2.33 2.12 -1.26 -5.01 118.70 117.06 1n18 s GLU 78 Ca -0.10 0.73 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 1n18 s GLU 78 Cb 0.01 -3.56 0.11 0.00 0.26 0.00 0.00 34.13 30.95 1n18 s GLU 78 CO 0.29 -0.21 1.18 -0.98 -0.54 0.00 0.00 175.26 175.00 1n18 s ARG 79 N 1.80 0.61 0.32 4.30 1.04 -1.17 -3.97 118.95 121.89 1n18 s ARG 79 Ca 0.32 -0.33 -0.15 0.00 -1.04 0.00 0.00 55.73 54.53 1n18 s ARG 79 Cb -0.16 0.21 -0.09 0.00 -2.04 0.00 0.00 34.95 32.87 1n18 s ARG 79 CO 0.12 -0.28 0.74 -1.01 -0.04 0.00 0.00 175.30 174.82 1n18 s HIS 80 N -2.67 3.37 0.43 5.89 3.76 -1.25 -4.69 115.29 120.12 1n18 s HIS 80 Ca 0.13 1.21 0.12 0.00 -0.15 0.00 0.00 55.06 56.38 1n18 s HIS 80 Cb 0.03 -2.53 0.99 0.00 1.11 0.00 0.00 32.58 32.17 1n18 s HIS 80 CO -0.02 0.09 1.99 0.28 -0.85 0.00 0.00 174.74 176.23 1n18 h VAL 81 N 1.95 0.94 -0.00 -0.90 2.07 -1.79 -1.39 116.25 117.12 1n18 h VAL 81 Ca -0.48 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1n18 h VAL 81 Cb 1.17 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1n18 h VAL 81 CO 0.65 0.08 -0.04 0.61 0.02 0.00 0.00 177.57 178.90 1n18 n GLY 82 N -1.51 -1.06 3.57 2.17 0.00 -0.47 -4.30 105.19 103.58 1n18 n GLY 82 Ca 0.09 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.39 5.59 -0.15 1.61 1.01 -0.53 -1.07 116.67 120.74 1n18 s ASP 83 Ca 0.33 0.55 0.15 0.00 0.71 0.00 0.00 52.55 54.30 1n18 s ASP 83 Cb 0.21 -2.53 0.57 0.00 1.01 0.00 0.00 42.92 42.17 1n18 s ASP 83 CO 0.44 -2.08 1.48 0.18 0.21 0.00 0.00 175.17 175.40 1n18 n LEU 84 N 11.51 4.17 0.00 1.23 4.77 -0.92 -3.56 117.00 134.20 1n18 n LEU 84 Ca 0.19 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1n18 n LEU 84 Cb 0.50 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1n18 n LEU 84 CO 0.70 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 1n18 n GLY 85 N 0.08 2.11 3.42 -0.72 0.00 -1.18 -4.77 105.19 104.12 1n18 n GLY 85 Ca 0.21 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 2.92 0.13 1.61 0.01 -1.26 -0.73 114.94 113.63 1n18 s ASN 86 Ca 0.00 -1.10 0.08 0.00 -0.71 0.00 0.00 52.86 51.13 1n18 s ASN 86 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1n18 s ASN 86 CO 0.00 -0.20 -0.18 0.68 -1.51 0.00 0.00 177.10 175.89 1n18 s VAL 87 N -2.87 1.66 -0.15 1.60 -7.23 -0.68 -4.89 120.40 107.84 1n18 s VAL 87 Ca 0.27 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1n18 s VAL 87 Cb 0.00 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 1n18 s VAL 87 CO 0.11 -0.25 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.66 1n18 s THR 88 N -1.77 3.26 -0.19 5.32 2.01 -1.26 -1.59 115.64 121.42 1n18 s THR 88 Ca 0.11 -0.58 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 1n18 s THR 88 Cb -0.07 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 1n18 s THR 88 CO 0.05 0.50 0.20 0.00 -0.69 0.00 0.00 174.62 174.69 1n18 s ALA 89 N 0.53 3.64 1.07 7.40 0.00 0.79 -3.96 121.76 131.23 1n18 s ALA 89 Ca -0.07 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1n18 s ALA 89 Cb -0.15 -2.29 0.19 0.00 0.00 0.00 0.00 23.12 20.87 1n18 s ALA 89 CO 0.03 0.06 0.96 -0.40 0.00 0.00 0.00 175.76 176.41 1n18 n ASP 90 N 3.71 -0.58 0.31 0.00 3.85 0.27 -0.83 116.55 123.28 1n18 n ASP 90 Ca -0.14 -1.25 0.19 0.00 -0.71 0.00 0.00 54.79 52.89 1n18 n ASP 90 Cb 0.52 -0.78 1.03 0.00 -1.35 0.00 0.00 41.12 40.55 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 0.00 -0.65 0.11 2.10 -1.97 0.45 116.57 116.61 1n18 h LYS 91 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1n18 h LYS 91 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1n18 h LYS 91 CO 0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 1n18 n ASP 92 N -2.91 3.61 -0.01 7.07 9.92 -1.26 -4.87 116.55 128.10 1n18 n ASP 92 Ca -0.03 -2.00 -0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1n18 n ASP 92 Cb 0.15 -0.43 -0.00 0.00 -0.64 0.00 0.00 41.12 40.19 1n18 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n18 n GLY 93 N 1.57 0.46 3.65 0.44 0.00 0.15 -4.77 105.19 106.69 1n18 n GLY 93 Ca 0.22 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.92 4.97 -0.31 1.61 1.01 -1.26 -2.26 120.40 122.24 1n18 s VAL 94 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1n18 s VAL 94 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1n18 s VAL 94 CO 0.00 0.43 0.04 0.00 0.00 0.00 0.00 175.10 175.57 1n18 s ALA 95 N 0.55 2.92 -0.36 5.51 0.00 0.11 -0.57 121.76 129.93 1n18 s ALA 95 Ca 0.05 -1.68 -0.21 0.00 0.00 0.00 0.00 51.96 50.12 1n18 s ALA 95 Cb -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1n18 s ALA 95 CO 0.01 -1.20 0.68 -0.51 0.00 0.00 0.00 175.76 174.74 1n18 s ASP 96 N 1.35 6.47 -0.11 0.00 -0.00 -1.25 -1.08 116.67 122.05 1n18 s ASP 96 Ca -0.02 0.22 -0.12 0.00 -0.00 0.00 0.00 52.55 52.63 1n18 s ASP 96 Cb -0.19 -2.35 -0.05 0.00 -0.00 0.00 0.00 42.92 40.33 1n18 s ASP 96 CO 0.01 -0.63 0.29 -0.69 -0.00 0.00 0.00 175.17 174.14 1n18 s VAL 97 N 2.83 5.28 -0.35 -1.27 1.01 -0.97 -4.82 120.40 122.10 1n18 s VAL 97 Ca 0.27 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1n18 s VAL 97 Cb -0.14 -3.60 0.19 0.00 0.00 0.00 0.00 36.38 32.83 1n18 s VAL 97 CO 0.15 0.49 0.63 -0.55 0.00 0.00 0.00 175.10 175.82 1n18 s SER 98 N -0.28 -1.54 0.22 3.32 0.15 -1.23 -1.76 113.70 112.56 1n18 s SER 98 Ca 0.18 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.51 1n18 s SER 98 Cb -0.14 1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 66.10 1n18 s SER 98 CO 0.06 -0.23 0.18 0.27 1.20 0.00 0.00 173.24 174.73 1n18 s ILE 99 N 2.32 0.00 -0.04 6.45 -4.36 0.11 -5.00 121.20 120.68 1n18 s ILE 99 Ca 0.13 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1n18 s ILE 99 Cb -0.07 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.20 1n18 s ILE 99 CO -0.16 0.00 0.07 -0.70 0.24 0.00 0.00 174.94 174.39 1n18 s GLU 100 N -4.08 -0.01 -0.02 0.37 2.12 -1.26 -0.04 118.70 115.78 1n18 s GLU 100 Ca 0.37 0.30 0.05 0.00 0.36 0.00 0.00 54.97 56.05 1n18 s GLU 100 Cb 0.06 -0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.16 1n18 s GLU 100 CO 0.13 -0.21 -0.17 0.34 -0.54 0.00 0.00 175.26 174.81 1n18 s ASP 101 N 1.39 1.99 0.03 -1.70 -1.08 -0.85 -4.97 116.67 111.48 1n18 s ASP 101 Ca -0.06 -0.31 0.22 0.00 -0.52 0.00 0.00 52.55 51.89 1n18 s ASP 101 Cb -0.12 -0.27 -0.13 0.00 -1.46 0.00 0.00 42.92 40.94 1n18 s ASP 101 CO -0.04 0.20 0.82 -1.20 0.52 0.00 0.00 175.17 175.47 1n18 n SER 102 N 2.73 0.49 0.05 -0.34 7.64 -1.26 -0.91 113.62 122.03 1n18 n SER 102 Ca -0.15 -0.21 -0.21 0.00 1.01 0.00 0.00 58.87 59.31 1n18 n SER 102 Cb 0.54 1.20 -0.15 0.00 -1.01 0.00 0.00 64.21 64.79 1n18 n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1n18 h VAL 103 N 0.00 1.42 -4.26 0.44 2.07 -1.92 -3.45 116.25 110.55 1n18 h VAL 103 Ca 0.00 -2.52 -0.50 0.00 0.82 0.00 0.00 66.70 64.49 1n18 h VAL 103 Cb 0.81 3.11 0.13 0.00 -1.52 0.00 0.00 31.29 33.82 1n18 h VAL 103 CO 0.00 0.72 0.31 0.27 0.02 0.00 0.00 177.57 178.89 1n18 s ILE 104 N -2.44 3.25 0.14 4.57 -4.36 -1.26 -4.91 121.20 116.19 1n18 s ILE 104 Ca -0.14 0.41 -0.18 0.00 -0.26 0.00 0.00 60.65 60.47 1n18 s ILE 104 Cb 0.02 -2.96 0.04 0.00 1.25 0.00 0.00 42.46 40.80 1n18 s ILE 104 CO 0.83 -0.53 0.46 -0.55 0.24 0.00 0.00 174.94 175.39 1n18 s SER 105 N -3.53 -0.31 -0.27 4.36 0.15 -1.03 -4.61 113.70 108.46 1n18 s SER 105 Ca 0.61 -0.27 0.12 0.00 0.70 0.00 0.00 55.95 57.11 1n18 s SER 105 Cb -0.16 0.52 0.70 0.00 -1.71 0.00 0.00 66.02 65.37 1n18 s SER 105 CO 0.56 -0.91 1.69 0.18 1.20 0.00 0.00 173.24 175.96 1n18 n LEU 106 N -0.28 5.40 -3.55 3.45 4.77 -1.26 -1.31 117.00 124.21 1n18 n LEU 106 Ca -0.15 -3.16 -0.06 0.00 -0.03 0.00 0.00 56.01 52.61 1n18 n LEU 106 Cb 0.64 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1n18 n LEU 106 CO 0.16 0.77 0.86 -0.94 -1.33 0.00 0.00 177.39 176.92 1n18 s SER 107 N -1.29 -0.24 0.00 -1.43 1.04 -1.26 -0.31 113.70 110.21 1n18 s SER 107 Ca 0.52 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1n18 s SER 107 Cb 0.41 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1n18 s SER 107 CO 0.12 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1n18 n GLY 108 N -0.13 -2.47 0.30 7.32 0.00 -1.26 -3.56 105.19 105.40 1n18 n GLY 108 Ca -0.04 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.45 1n18 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n18 h ASP 109 N 0.00 0.00 -0.66 1.61 3.45 -2.02 -1.26 116.42 117.54 1n18 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1n18 h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1n18 h ASP 109 CO 0.00 0.03 0.00 1.41 -1.57 0.00 0.00 179.24 179.11 1n18 n HIS 110 N -3.42 1.57 -2.05 4.55 8.25 -1.26 -4.98 115.22 117.88 1n18 n HIS 110 Ca -0.02 -0.61 -0.41 0.00 -0.26 0.00 0.00 57.72 56.41 1n18 n HIS 110 Cb 0.14 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.88 6.70 0.00 0.41 0.15 -0.48 -2.45 113.70 117.14 1n18 s SER 111 Ca 0.52 2.65 0.23 0.00 0.70 0.00 0.00 55.95 60.06 1n18 s SER 111 Cb 0.34 -2.63 0.23 0.00 -1.71 0.00 0.00 66.02 62.25 1n18 s SER 111 CO 0.24 -0.65 1.26 2.30 1.20 0.00 0.00 173.24 177.60 1n18 n ILE 112 N 1.98 0.10 -1.79 6.45 -5.35 -0.43 -4.92 119.36 115.41 1n18 n ILE 112 Ca 0.05 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.56 1n18 n ILE 112 Cb 0.41 1.38 -0.03 0.00 -1.74 0.00 0.00 39.64 39.66 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 -1.84 2.17 0.00 7.28 -1.09 -1.26 -1.61 121.20 124.85 1n18 s ILE 113 Ca 0.29 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1n18 s ILE 113 Cb 0.20 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 1n18 s ILE 113 CO 0.29 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1n18 n GLY 114 N 3.61 0.82 2.70 6.18 0.00 -0.25 -5.01 105.19 113.24 1n18 n GLY 114 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.24 0.83 -4.81 1.61 1.74 -0.63 -2.62 116.66 110.55 1n18 n ARG 115 Ca 0.00 -2.31 -0.33 0.00 -0.77 0.00 0.00 57.85 54.44 1n18 n ARG 115 Cb 0.00 0.07 -0.15 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.74 2.83 -0.03 0.55 2.01 -0.99 -1.10 115.64 117.17 1n18 s THR 116 Ca 0.31 -0.74 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 1n18 s THR 116 Cb -0.02 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1n18 s THR 116 CO 0.20 0.53 0.68 -0.22 -0.69 0.00 0.00 174.62 175.12 1n18 s LEU 117 N 0.42 4.37 -0.05 4.42 2.96 -0.49 0.76 118.68 131.07 1n18 s LEU 117 Ca -0.11 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1n18 s LEU 117 Cb -0.16 -3.06 0.01 0.00 0.50 0.00 0.00 46.19 43.47 1n18 s LEU 117 CO 0.05 -0.03 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.23 1n18 s VAL 118 N 0.38 1.20 -0.15 1.68 1.01 0.11 -1.72 120.40 122.92 1n18 s VAL 118 Ca 0.36 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1n18 s VAL 118 Cb -0.18 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1n18 s VAL 118 CO 0.19 0.36 -0.01 0.54 0.00 0.00 0.00 175.10 176.17 1n18 s VAL 119 N 0.37 4.11 0.43 2.92 0.11 -0.31 -1.78 120.40 126.25 1n18 s VAL 119 Ca -0.09 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 1n18 s VAL 119 Cb -0.13 -2.80 0.01 0.00 -1.53 0.00 0.00 36.38 31.94 1n18 s VAL 119 CO 0.03 0.51 0.57 -1.00 -3.33 0.00 0.00 175.10 171.88 1n18 s HIS 120 N 0.11 2.69 -0.03 1.54 3.76 0.75 -1.68 115.29 122.42 1n18 s HIS 120 Ca 0.01 -0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 1n18 s HIS 120 Cb -0.13 -2.35 -0.14 0.00 1.11 0.00 0.00 32.58 31.07 1n18 s HIS 120 CO 0.02 -0.46 0.90 1.49 -0.85 0.00 0.00 174.74 175.85 1n18 h GLU 121 N 0.63 -0.36 -6.59 1.40 4.81 -0.92 -3.37 114.58 110.18 1n18 h GLU 121 Ca -0.39 0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.36 1n18 h GLU 121 Cb 1.28 0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.76 1n18 h GLU 121 CO 0.45 -0.02 -0.11 0.15 -0.73 0.00 0.00 179.01 178.76 1n18 s LYS 122 N -3.72 2.29 0.37 1.92 1.02 0.15 -4.85 119.74 116.92 1n18 s LYS 122 Ca -0.12 -1.68 -0.20 0.00 0.02 0.00 0.00 55.97 53.99 1n18 s LYS 122 Cb 0.01 -2.60 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 1n18 s LYS 122 CO 0.43 -0.86 0.87 0.00 -0.92 0.00 0.00 175.35 174.87 1n18 s ALA 123 N -2.68 3.17 -0.21 5.17 0.00 -1.24 -0.76 121.76 125.20 1n18 s ALA 123 Ca 0.60 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 1n18 s ALA 123 Cb -0.05 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1n18 s ALA 123 CO 0.38 0.21 0.69 0.34 0.00 0.00 0.00 175.76 177.37 1n18 s ASP 124 N -2.12 6.73 0.00 0.00 3.68 -1.26 -4.14 116.67 119.56 1n18 s ASP 124 Ca 0.57 0.89 0.00 0.00 2.13 0.00 0.00 52.55 56.15 1n18 s ASP 124 Cb -0.11 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 38.99 1n18 s ASP 124 CO 0.16 -0.34 0.59 -0.90 0.13 0.00 0.00 175.17 174.81 1n18 n ASP 125 N 5.29 0.74 -2.01 -0.34 3.85 -0.84 -4.83 116.55 118.40 1n18 n ASP 125 Ca 0.01 -1.92 -0.12 0.00 -0.71 0.00 0.00 54.79 52.05 1n18 n ASP 125 Cb 0.49 -0.37 -0.02 0.00 -1.35 0.00 0.00 41.12 39.87 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 -0.10 -1.00 -0.83 -2.12 4.77 -1.26 -1.70 117.00 114.77 1n18 n LEU 126 Ca 0.00 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1n18 n LEU 126 Cb 0.19 -1.99 -0.01 0.00 -2.33 0.00 0.00 43.42 39.27 1n18 n LEU 126 CO 0.00 -0.31 -0.10 0.61 -1.33 0.00 0.00 177.39 176.26 1n18 n GLY 127 N -0.57 0.32 0.21 -0.72 0.00 -1.24 -3.23 105.19 99.96 1n18 n GLY 127 Ca -0.13 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.06 1.66 0.25 1.61 4.76 -0.69 -4.64 118.16 119.05 1n18 n LYS 128 Ca -0.09 -2.56 0.09 0.00 -2.87 0.00 0.00 58.31 52.88 1n18 n LYS 128 Cb 0.48 -1.53 0.63 0.00 -1.84 0.00 0.00 35.03 32.77 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 0.32 0.00 0.00 0.72 0.00 -1.87 -3.46 103.07 98.78 1n18 h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n18 h GLY 129 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1n18 n GLY 130 N -0.93 0.88 3.62 4.60 0.00 -1.26 -5.03 105.19 107.06 1n18 n GLY 130 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.65 4.50 0.55 1.61 2.20 -1.26 -5.02 114.94 114.87 1n18 s ASN 131 Ca 0.00 -0.51 0.25 0.00 -0.94 0.00 0.00 52.86 51.66 1n18 s ASN 131 Cb 0.00 -0.86 1.47 0.00 -2.00 0.00 0.00 41.25 39.86 1n18 s ASN 131 CO 0.00 0.09 2.06 -0.08 -2.94 0.00 0.00 177.10 176.23 1n18 h GLU 132 N 2.74 0.00 -0.02 3.55 4.81 -2.00 -1.06 114.58 122.60 1n18 h GLU 132 Ca -0.47 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1n18 h GLU 132 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1n18 h GLU 132 CO 0.56 0.00 -0.61 1.49 -0.73 0.00 0.00 179.01 179.72 1n18 h GLU 133 N 0.00 0.06 0.00 1.92 4.57 -2.01 -3.02 114.58 116.10 1n18 h GLU 133 Ca 0.14 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1n18 h GLU 133 Cb 0.61 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1n18 h GLU 133 CO -0.00 0.65 -0.27 1.03 -1.18 0.00 0.00 179.01 179.25 1n18 h SER 134 N 0.04 0.00 -0.23 1.04 0.87 -1.53 -1.07 113.55 112.67 1n18 h SER 134 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1n18 h SER 134 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1n18 h SER 134 CO 0.08 0.27 0.00 0.35 -0.53 0.00 0.00 176.83 177.00 1n18 n THR 135 N -4.07 0.32 0.00 2.23 -2.24 -1.14 -2.21 114.28 107.17 1n18 n THR 135 Ca -0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1n18 n THR 135 Cb 0.33 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.18 0.00 -0.00 -0.78 5.02 -0.80 -0.74 118.16 121.03 1n18 n LYS 136 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1n18 n LYS 136 Cb 0.20 -0.33 -0.01 0.00 -0.02 0.00 0.00 35.03 34.87 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 -2.77 0.00 -1.27 -0.18 -2.24 -0.47 -4.68 114.28 102.68 1n18 n THR 137 Ca 0.00 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1n18 n THR 137 Cb 0.30 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.10 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 2.10 0.77 4.04 3.38 0.00 -0.94 -3.30 105.19 111.24 1n18 n GLY 138 Ca -0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 1.03 -4.19 0.04 1.61 3.02 -1.26 -2.00 115.26 113.52 1n18 n ASN 139 Ca -0.06 -0.88 0.10 0.00 -0.03 0.00 0.00 54.58 53.72 1n18 n ASN 139 Cb 0.23 -3.42 0.44 0.00 -0.61 0.00 0.00 39.78 36.41 1n18 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n18 n ALA 140 N -4.56 1.90 0.00 5.41 0.00 -1.21 -4.67 120.51 117.38 1n18 n ALA 140 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1n18 n ALA 140 Cb 0.51 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1n18 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n18 n GLY 141 N 0.52 -1.31 3.80 0.00 0.00 -1.26 0.29 105.19 107.23 1n18 n GLY 141 Ca 0.04 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1n18 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n18 s SER 142 N -4.00 4.54 -0.49 1.61 1.04 -1.26 -4.70 113.70 110.44 1n18 s SER 142 Ca 0.00 1.38 -0.20 0.00 0.48 0.00 0.00 55.95 57.62 1n18 s SER 142 Cb 0.00 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 64.03 1n18 s SER 142 CO 0.00 -1.95 0.65 -0.13 0.98 0.00 0.00 173.24 172.79 1n18 s ARG 143 N -5.11 3.17 0.09 4.02 0.52 -1.26 -0.71 118.95 119.67 1n18 s ARG 143 Ca 0.61 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 1n18 s ARG 143 Cb -0.15 -4.06 -0.20 0.00 0.52 0.00 0.00 34.95 31.06 1n18 s ARG 143 CO 0.55 -1.19 1.22 -0.07 0.02 0.00 0.00 175.30 175.83 1n18 h LEU 144 N 9.79 0.84 -7.23 2.53 3.38 -1.61 -3.47 115.31 119.55 1n18 h LEU 144 Ca -0.27 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 56.96 1n18 h LEU 144 Cb 1.09 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 41.41 1n18 h LEU 144 CO 0.95 1.47 0.00 0.00 0.09 0.00 0.00 178.44 180.96 1n18 s ALA 145 N -3.33 -1.31 0.25 1.53 0.00 -1.18 -3.98 121.76 113.74 1n18 s ALA 145 Ca -0.09 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.44 1n18 s ALA 145 Cb 0.07 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1n18 s ALA 145 CO 0.91 -0.41 0.52 0.00 0.00 0.00 0.00 175.76 176.78 1n18 s GLY 147 N -2.98 -0.21 0.16 0.00 0.00 -0.70 -1.13 107.32 102.46 1n18 s GLY 147 Ca 0.19 2.60 -0.30 0.00 0.00 0.00 0.00 44.72 47.21 1n18 s GLY 147 CO 0.07 1.88 1.26 0.14 0.00 0.00 0.00 173.10 176.45 1n18 s VAL 148 N 0.34 3.47 -0.22 1.40 1.01 -1.26 -1.40 120.40 123.74 1n18 s VAL 148 Ca 0.02 1.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 1n18 s VAL 148 Cb -0.05 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1n18 s VAL 148 CO -0.06 0.15 1.00 -0.63 0.00 0.00 0.00 175.10 175.57 1n18 s ILE 149 N 0.34 4.71 0.20 2.22 1.01 -0.26 -4.45 121.20 124.97 1n18 s ILE 149 Ca 0.57 1.96 0.09 0.00 0.00 0.00 0.00 60.65 63.27 1n18 s ILE 149 Cb -0.34 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 1n18 s ILE 149 CO 0.35 -0.15 -0.09 -0.83 0.00 0.00 0.00 174.94 174.22 1n18 s GLY 150 N 1.21 1.72 0.24 6.18 0.00 0.41 -1.09 107.32 116.00 1n18 s GLY 150 Ca 0.43 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 1n18 s GLY 150 CO 0.07 -1.54 1.47 -0.42 0.00 0.00 0.00 173.10 172.68 1n18 s ILE 151 N -1.81 2.61 0.23 0.90 1.01 -1.26 -0.64 121.20 122.23 1n18 s ILE 151 Ca 0.26 0.50 0.11 0.00 0.00 0.00 0.00 60.65 61.51 1n18 s ILE 151 Cb -0.08 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1n18 s ILE 151 CO 0.16 0.07 -0.15 0.00 0.00 0.00 0.00 174.94 175.02 1n18 s ALA 152 N 0.19 2.81 -2.00 9.38 0.00 0.01 -4.78 121.76 127.38 1n18 s ALA 152 Ca 0.61 -1.66 0.13 0.00 0.00 0.00 0.00 51.96 51.04 1n18 s ALA 152 Cb -0.43 -0.50 0.77 0.00 0.00 0.00 0.00 23.12 22.97 1n18 s ALA 152 CO 0.42 0.37 1.19 0.94 0.00 0.00 0.00 175.76 178.68