#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 0.00 -4.13 0.00 5.66 -1.26 -4.63 114.28 109.92 1n18 n THR 2 Ca 0.00 -0.28 -0.15 0.00 -3.05 0.00 0.00 64.05 60.58 1n18 n THR 2 Cb 0.00 0.28 -0.12 0.00 -1.55 0.00 0.00 70.33 68.93 1n18 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1n18 s LYS 3 N -2.80 0.56 0.19 1.09 -0.14 -1.26 -0.50 119.74 116.88 1n18 s LYS 3 Ca -0.04 -0.61 -0.09 0.00 -1.36 0.00 0.00 55.97 53.87 1n18 s LYS 3 Cb 0.08 -0.42 -0.01 0.00 -1.68 0.00 0.00 37.83 35.80 1n18 s LYS 3 CO 0.51 0.09 0.30 0.00 -0.76 0.00 0.00 175.35 175.50 1n18 s ALA 4 N -0.97 0.10 -0.01 5.17 0.00 -0.20 -1.80 121.76 124.05 1n18 s ALA 4 Ca -0.05 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.66 1n18 s ALA 4 Cb -0.08 0.97 0.06 0.00 0.00 0.00 0.00 23.12 24.07 1n18 s ALA 4 CO 0.00 -0.68 0.59 0.54 0.00 0.00 0.00 175.76 176.21 1n18 s VAL 5 N -4.00 0.01 -0.02 0.00 0.11 -0.36 -1.06 120.40 115.08 1n18 s VAL 5 Ca 0.21 -0.12 -0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1n18 s VAL 5 Cb 0.03 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1n18 s VAL 5 CO 0.03 -0.07 0.03 0.00 -3.33 0.00 0.00 175.10 171.77 1n18 s ALA 6 N -1.69 0.05 -0.32 1.54 0.00 -0.33 -1.03 121.76 119.98 1n18 s ALA 6 Ca -0.09 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1n18 s ALA 6 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1n18 s ALA 6 CO 0.05 -0.09 0.26 0.08 0.00 0.00 0.00 175.76 176.05 1n18 s VAL 7 N 0.86 5.26 -0.12 0.00 1.01 -1.26 -1.31 120.40 124.85 1n18 s VAL 7 Ca -0.07 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 1n18 s VAL 7 Cb -0.10 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1n18 s VAL 7 CO -0.02 0.07 0.65 -0.76 0.00 0.00 0.00 175.10 175.04 1n18 s LEU 8 N 1.81 4.26 -0.02 3.92 1.43 0.14 -3.99 118.68 126.22 1n18 s LEU 8 Ca 0.08 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1n18 s LEU 8 Cb -0.17 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.09 1n18 s LEU 8 CO 0.11 -0.15 0.21 -0.54 0.23 0.00 0.00 176.35 176.21 1n18 s LYS 9 N 1.14 0.49 0.00 1.70 1.02 -0.72 -2.29 119.74 121.08 1n18 s LYS 9 Ca 0.33 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1n18 s LYS 9 Cb -0.17 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1n18 s LYS 9 CO 0.14 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1n18 n GLY 10 N 1.74 3.60 0.21 -3.33 0.00 -1.24 -1.45 105.19 104.72 1n18 n GLY 10 Ca -0.20 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 -0.72 1.61 3.32 -1.92 -3.46 116.42 115.25 1n18 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n18 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1n18 h ASP 11 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1n18 n GLY 12 N 1.12 1.95 0.01 2.75 0.00 -1.26 -5.02 105.19 104.74 1n18 n GLY 12 Ca 0.04 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 0.11 -1.99 1.61 -0.04 -1.26 -4.89 135.00 128.54 1n18 n PRO 13 Ca 0.00 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1n18 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.91 3.40 0.03 0.52 1.01 -1.26 -4.41 120.40 116.79 1n18 s VAL 14 Ca 0.16 0.64 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 1n18 s VAL 14 Cb 0.19 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1n18 s VAL 14 CO 0.55 -0.03 0.52 0.00 0.00 0.00 0.00 175.10 176.14 1n18 s GLN 15 N 3.46 1.01 0.00 2.72 -2.07 -0.95 -3.67 119.66 120.17 1n18 s GLN 15 Ca 0.73 -0.18 0.00 0.00 -1.82 0.00 0.00 55.36 54.10 1n18 s GLN 15 Cb -0.36 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.03 1n18 s GLN 15 CO 0.31 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.33 1n18 n GLY 16 N 0.52 -0.10 3.09 2.60 0.00 -0.97 -1.14 105.19 109.18 1n18 n GLY 16 Ca -0.19 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 1.67 -0.13 -0.61 1.01 -1.01 0.23 121.20 120.36 1n18 s ILE 17 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1n18 s ILE 17 Cb 0.00 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1n18 s ILE 17 CO 0.00 0.47 -0.15 -0.63 0.00 0.00 0.00 174.94 174.64 1n18 s ILE 18 N 0.97 2.91 0.07 2.92 -1.09 -0.43 -2.75 121.20 123.80 1n18 s ILE 18 Ca -0.06 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1n18 s ILE 18 Cb -0.15 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1n18 s ILE 18 CO -0.02 0.53 0.08 0.20 -1.23 0.00 0.00 174.94 174.49 1n18 s ASN 19 N 0.37 5.53 -0.03 3.58 0.01 0.15 -1.18 114.94 123.37 1n18 s ASN 19 Ca -0.12 0.00 0.03 0.00 -0.71 0.00 0.00 52.86 52.07 1n18 s ASN 19 Cb -0.16 -1.49 -0.00 0.00 0.41 0.00 0.00 41.25 40.01 1n18 s ASN 19 CO 0.06 0.18 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.35 1n18 s PHE 20 N -1.37 1.24 -0.03 2.20 0.08 -0.23 -1.36 117.98 118.51 1n18 s PHE 20 Ca 0.29 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 57.01 1n18 s PHE 20 Cb -0.12 -0.85 0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1n18 s PHE 20 CO 0.21 -0.12 0.05 -2.00 -0.10 0.00 0.00 175.22 173.27 1n18 s GLU 21 N 0.10 -0.02 -0.29 0.44 2.12 -0.00 -1.03 118.70 120.02 1n18 s GLU 21 Ca -0.03 0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.57 1n18 s GLU 21 Cb -0.09 -0.26 0.08 0.00 0.26 0.00 0.00 34.13 34.12 1n18 s GLU 21 CO 0.01 -0.18 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.39 1n18 s GLN 22 N 1.19 1.67 0.17 4.30 0.74 0.35 -0.54 119.66 127.55 1n18 s GLN 22 Ca -0.08 -1.46 -0.14 0.00 0.05 0.00 0.00 55.36 53.73 1n18 s GLN 22 Cb -0.13 -2.87 0.06 0.00 1.10 0.00 0.00 33.01 31.17 1n18 s GLN 22 CO -0.03 -0.76 1.83 -0.22 -0.55 0.00 0.00 175.29 175.55 1n18 h LYS 23 N 7.77 0.64 -6.24 1.67 3.64 -1.82 -3.43 116.57 118.80 1n18 h LYS 23 Ca -0.12 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.54 1n18 h LYS 23 Cb 1.04 -0.15 -0.30 0.00 -0.41 0.00 0.00 32.23 32.41 1n18 h LYS 23 CO 0.48 0.43 -0.88 -1.21 -2.27 0.00 0.00 179.45 175.99 1n18 s GLU 24 N -6.15 2.17 0.00 1.90 0.41 -1.26 -5.01 118.70 110.76 1n18 s GLU 24 Ca -0.13 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.56 1n18 s GLU 24 Cb 0.12 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 1n18 s GLU 24 CO 0.74 0.46 0.15 -1.13 -0.49 0.00 0.00 175.26 174.99 1n18 n SER 25 N 2.68 0.00 0.00 -0.19 3.41 -1.26 0.02 113.62 118.27 1n18 n SER 25 Ca -0.16 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1n18 n SER 25 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1n18 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n18 n ASN 26 N -0.65 0.00 -3.36 4.04 0.23 -1.26 -4.83 115.26 109.43 1n18 n ASN 26 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.77 1n18 n ASN 26 Cb 0.04 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 37.99 1n18 n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n18 n GLY 27 N 0.00 -3.28 3.71 4.83 0.00 0.10 -4.98 105.19 105.57 1n18 n GLY 27 Ca 0.00 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 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 -5.16 1.62 -0.16 1.61 0.04 -1.26 -4.85 135.00 126.83 1n18 s PRO 28 Ca 0.65 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 1n18 s PRO 28 Cb -0.08 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1n18 s PRO 28 CO 0.52 -2.18 -0.09 0.08 0.04 0.00 0.00 177.00 175.37 1n18 s VAL 29 N -2.56 3.32 -0.04 -0.36 1.01 0.81 -4.30 120.40 118.28 1n18 s VAL 29 Ca 0.67 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 1n18 s VAL 29 Cb -0.23 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1n18 s VAL 29 CO 0.54 0.49 0.44 -0.54 0.00 0.00 0.00 175.10 176.03 1n18 s LYS 30 N 0.64 4.10 -0.11 2.72 1.02 0.30 -1.39 119.74 127.02 1n18 s LYS 30 Ca -0.05 0.43 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1n18 s LYS 30 Cb -0.15 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1n18 s LYS 30 CO 0.03 0.48 -0.16 0.08 -0.92 0.00 0.00 175.35 174.86 1n18 s VAL 31 N -0.43 1.57 0.04 3.17 1.01 0.22 -0.82 120.40 125.16 1n18 s VAL 31 Ca 0.24 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1n18 s VAL 31 Cb -0.16 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.83 1n18 s VAL 31 CO 0.12 0.46 0.41 -1.66 0.00 0.00 0.00 175.10 174.43 1n18 s TRP 32 N 0.98 -0.26 -4.55 5.22 -2.14 -0.46 -0.47 118.94 117.25 1n18 s TRP 32 Ca -0.06 0.22 0.00 0.00 2.66 0.00 0.00 56.10 58.92 1n18 s TRP 32 Cb -0.15 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.44 1n18 s TRP 32 CO -0.02 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 1n18 n GLY 33 N 0.50 -1.55 3.06 3.67 0.00 -1.06 0.33 105.19 110.15 1n18 n GLY 33 Ca -0.18 -1.20 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.52 1.51 -0.07 1.61 0.15 -1.11 -1.11 113.70 111.16 1n18 s SER 34 Ca 0.00 -0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1n18 s SER 34 Cb 0.00 -0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 1n18 s SER 34 CO 0.00 0.12 -0.15 -0.63 1.20 0.00 0.00 173.24 173.79 1n18 s ILE 35 N -0.06 1.32 0.38 6.45 1.01 -0.49 -2.42 121.20 127.40 1n18 s ILE 35 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1n18 s ILE 35 Cb -0.07 -1.18 -0.07 0.00 0.01 0.00 0.00 42.46 41.14 1n18 s ILE 35 CO 0.00 0.40 -0.03 -1.59 0.00 0.00 0.00 174.94 173.72 1n18 s LYS 36 N 0.57 1.90 0.00 2.79 -2.85 -0.29 0.03 119.74 121.89 1n18 s LYS 36 Ca -0.15 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 52.78 1n18 s LYS 36 Cb -0.16 -1.64 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 1n18 s LYS 36 CO 0.05 0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.92 1n18 n GLY 37 N -0.90 0.55 3.94 0.59 0.00 -0.96 -2.25 105.19 106.17 1n18 n GLY 37 Ca -0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 4.15 0.44 0.99 1.43 -0.79 -4.19 118.68 120.72 1n18 s LEU 38 Ca 0.00 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 1n18 s LEU 38 Cb 0.00 -3.18 -0.10 0.00 0.03 0.00 0.00 46.19 42.94 1n18 s LEU 38 CO 0.00 -0.16 0.99 0.42 0.23 0.00 0.00 176.35 177.83 1n18 s THR 39 N -2.08 4.12 0.33 5.49 -4.23 -1.26 -4.07 115.64 113.94 1n18 s THR 39 Ca 0.38 1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 61.98 1n18 s THR 39 Cb -0.10 -3.58 -0.12 0.00 1.34 0.00 0.00 72.50 70.04 1n18 s THR 39 CO 0.32 -0.23 1.50 1.21 -0.54 0.00 0.00 174.62 176.88 1n18 n GLU 40 N -0.62 2.59 0.00 3.99 2.13 -1.26 -4.60 120.64 122.87 1n18 n GLU 40 Ca 0.07 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1n18 n GLU 40 Cb 0.53 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 1.25 -0.06 3.77 8.31 0.00 -0.52 -4.92 105.19 113.02 1n18 n GLY 41 Ca 0.05 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 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 4.35 -0.07 0.99 1.43 -1.26 -1.32 118.68 122.80 1n18 s LEU 42 Ca 0.00 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 55.18 1n18 s LEU 42 Cb 0.00 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.34 1n18 s LEU 42 CO 0.00 -0.28 0.13 -1.00 0.23 0.00 0.00 176.35 175.43 1n18 s HIS 43 N -1.43 -0.13 0.47 0.29 3.76 -0.55 -3.26 115.29 114.44 1n18 s HIS 43 Ca 0.51 0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 55.68 1n18 s HIS 43 Cb -0.26 -0.21 -0.10 0.00 1.11 0.00 0.00 32.58 33.12 1n18 s HIS 43 CO 0.33 -0.20 0.80 0.41 -0.85 0.00 0.00 174.74 175.22 1n18 n GLY 44 N 4.77 -0.79 2.80 -2.22 0.00 0.37 -1.73 105.19 108.39 1n18 n GLY 44 Ca -0.15 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.43 -0.51 0.12 1.61 5.36 -0.06 -0.57 117.98 122.50 1n18 s PHE 45 Ca 0.66 0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.86 1n18 s PHE 45 Cb -0.54 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 41.83 1n18 s PHE 45 CO 0.55 -0.75 0.09 -1.01 -1.46 0.00 0.00 175.22 172.64 1n18 s HIS 46 N 2.40 0.72 -0.24 10.12 3.76 -0.93 -2.54 115.29 128.57 1n18 s HIS 46 Ca 0.09 -1.11 -0.10 0.00 -0.15 0.00 0.00 55.06 53.79 1n18 s HIS 46 Cb -0.15 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.11 1n18 s HIS 46 CO -0.20 -0.54 0.16 0.08 -0.85 0.00 0.00 174.74 173.39 1n18 s VAL 47 N -4.01 5.30 0.19 -0.90 1.01 0.01 -1.05 120.40 120.96 1n18 s VAL 47 Ca 0.20 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1n18 s VAL 47 Cb 0.07 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1n18 s VAL 47 CO -0.00 0.34 0.36 -1.00 0.00 0.00 0.00 175.10 174.80 1n18 s HIS 48 N 1.09 3.48 0.18 5.22 3.76 0.26 -1.24 115.29 128.04 1n18 s HIS 48 Ca 0.07 0.25 -0.15 0.00 -0.15 0.00 0.00 55.06 55.08 1n18 s HIS 48 Cb -0.14 -1.78 0.14 0.00 1.11 0.00 0.00 32.58 31.92 1n18 s HIS 48 CO 0.05 0.41 1.69 1.49 -0.85 0.00 0.00 174.74 177.53 1n18 h GLU 49 N 1.93 0.09 -5.84 1.40 4.81 -0.84 -2.54 114.58 113.58 1n18 h GLU 49 Ca -0.48 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 1n18 h GLU 49 Cb 1.20 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.44 1n18 h GLU 49 CO 0.67 0.06 -0.56 -0.06 -0.73 0.00 0.00 179.01 178.40 1n18 s PHE 50 N -6.18 3.35 -0.52 0.92 0.08 -0.20 -4.66 117.98 110.76 1n18 s PHE 50 Ca -0.13 0.33 -0.02 0.00 0.12 0.00 0.00 56.93 57.22 1n18 s PHE 50 Cb 0.15 -1.84 0.21 0.00 -0.57 0.00 0.00 43.02 40.97 1n18 s PHE 50 CO 0.72 0.59 2.33 0.41 -0.10 0.00 0.00 175.22 179.16 1n18 n GLY 51 N 1.98 4.73 3.32 4.36 0.00 -1.08 -3.49 105.19 115.01 1n18 n GLY 51 Ca -0.19 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.29 5.29 -0.28 1.61 3.68 -1.26 -4.94 116.67 120.49 1n18 s ASP 52 Ca 0.51 -0.92 0.11 0.00 2.13 0.00 0.00 52.55 54.39 1n18 s ASP 52 Cb 0.38 -1.90 0.60 0.00 -1.45 0.00 0.00 42.92 40.55 1n18 s ASP 52 CO -0.17 -0.27 1.59 -3.20 0.13 0.00 0.00 175.17 173.25 1n18 n ASN 53 N 4.86 3.75 0.26 -0.34 4.05 -1.26 -3.20 115.26 123.37 1n18 n ASN 53 Ca -0.13 -3.35 0.11 0.00 0.45 0.00 0.00 54.58 51.66 1n18 n ASN 53 Cb 0.46 -0.65 0.69 0.00 1.23 0.00 0.00 39.78 41.51 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 1.77 0.66 -1.40 -0.44 1.35 -1.93 -3.06 112.91 109.86 1n18 h THR 54 Ca 0.19 -0.55 -0.48 0.00 -0.55 0.00 0.00 66.41 65.02 1n18 h THR 54 Cb 1.88 1.34 -0.41 0.00 -1.73 0.00 0.00 68.15 69.23 1n18 h THR 54 CO 0.49 0.13 -0.96 0.00 -0.25 0.00 0.00 175.52 174.93 1n18 n ALA 55 N -2.32 4.09 -0.71 6.62 0.00 -1.26 -5.06 120.51 121.88 1n18 n ALA 55 Ca -0.02 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1n18 n ALA 55 Cb 0.24 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.22 0.44 0.16 0.00 0.00 -1.16 -2.93 105.19 101.47 1n18 n GLY 56 Ca 0.25 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 1.19 0.00 0.00 2.02 -1.88 -2.49 112.91 111.76 1n18 h THR 58 Ca 0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1n18 h THR 58 Cb 0.45 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1n18 h THR 58 CO 0.00 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1n18 n SER 59 N -4.36 0.00 0.06 4.18 3.41 -1.21 -3.23 113.62 112.47 1n18 n SER 59 Ca 0.05 -0.97 0.11 0.00 -0.26 0.00 0.00 58.87 57.80 1n18 n SER 59 Cb 0.13 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.95 1.88 -0.22 7.33 0.00 -0.94 -4.47 120.51 123.14 1n18 n ALA 60 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1n18 n ALA 60 Cb 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.48 -1.14 2.21 0.00 0.00 -1.20 -1.04 105.19 104.51 1n18 n GLY 61 Ca 0.04 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.10 -0.81 -2.13 1.61 -0.04 -1.26 -4.69 135.00 127.59 1n18 n PRO 62 Ca 0.00 -1.18 -0.39 0.00 -0.04 0.00 0.00 63.50 61.90 1n18 n PRO 62 Cb 0.00 -0.80 -0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.65 2.84 -0.11 0.54 3.76 -1.26 -0.54 115.29 117.86 1n18 s HIS 63 Ca 0.43 1.47 -0.29 0.00 -0.15 0.00 0.00 55.06 56.52 1n18 s HIS 63 Cb -0.01 -3.55 -0.06 0.00 1.11 0.00 0.00 32.58 30.06 1n18 s HIS 63 CO 0.30 -1.85 1.98 0.12 -0.85 0.00 0.00 174.74 174.44 1n18 s PHE 64 N -1.36 1.42 -0.38 1.40 5.99 -0.38 -4.39 117.98 120.28 1n18 s PHE 64 Ca 0.60 0.12 0.10 0.00 0.00 0.00 0.00 56.93 57.75 1n18 s PHE 64 Cb -0.34 -4.07 0.31 0.00 0.00 0.00 0.00 43.02 38.91 1n18 s PHE 64 CO 0.43 -4.47 0.65 -1.71 -0.00 0.00 0.00 175.22 170.12 1n18 n ASN 65 N 9.23 0.50 0.31 6.13 5.15 -1.26 -1.71 115.26 133.61 1n18 n ASN 65 Ca 0.23 -2.88 0.18 0.00 -0.60 0.00 0.00 54.58 51.51 1n18 n ASN 65 Cb 0.43 -0.59 0.99 0.00 -0.53 0.00 0.00 39.78 40.08 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 3.43 0.00 -0.59 1.20 0.13 -1.94 -1.72 132.00 132.51 1n18 h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n18 h PRO 66 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1n18 h PRO 66 CO 0.48 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.55 1n18 n LEU 67 N -3.44 3.30 -3.97 1.56 4.77 -1.26 -4.97 117.00 112.99 1n18 n LEU 67 Ca -0.03 -1.62 -0.30 0.00 -0.03 0.00 0.00 56.01 54.03 1n18 n LEU 67 Cb 0.12 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1n18 n LEU 67 CO 0.25 0.81 -0.23 -1.20 -1.33 0.00 0.00 177.39 175.69 1n18 n SER 68 N 1.31 -1.67 -4.93 -1.43 7.64 -0.65 -4.99 113.62 108.90 1n18 n SER 68 Ca 0.21 -1.09 -0.25 0.00 1.01 0.00 0.00 58.87 58.75 1n18 n SER 68 Cb 0.53 -2.71 0.01 0.00 -1.01 0.00 0.00 64.21 61.03 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 -6.68 2.26 0.46 1.43 0.52 -1.26 -5.13 118.95 110.55 1n18 s ARG 69 Ca 0.17 -1.95 -0.07 0.00 -0.52 0.00 0.00 55.73 53.36 1n18 s ARG 69 Cb -0.07 -2.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 1n18 s ARG 69 CO 0.91 -0.68 0.79 0.15 0.02 0.00 0.00 175.30 176.49 1n18 s LYS 70 N -4.37 3.63 0.42 3.54 -0.14 -1.26 -4.73 119.74 116.82 1n18 s LYS 70 Ca 0.40 0.32 -0.25 0.00 -1.36 0.00 0.00 55.97 55.07 1n18 s LYS 70 Cb -0.03 -2.37 -0.08 0.00 -1.68 0.00 0.00 37.83 33.67 1n18 s LYS 70 CO 0.25 -0.16 1.30 -1.58 -0.76 0.00 0.00 175.35 174.40 1n18 s HIS 71 N -2.63 2.77 0.11 3.18 5.65 -0.11 -3.10 115.29 121.15 1n18 s HIS 71 Ca 0.49 1.41 -0.02 0.00 0.25 0.00 0.00 55.06 57.18 1n18 s HIS 71 Cb -0.10 -3.67 0.01 0.00 -1.18 0.00 0.00 32.58 27.63 1n18 s HIS 71 CO 0.41 -2.16 0.19 0.41 -0.65 0.00 0.00 174.74 172.94 1n18 n GLY 72 N 0.65 2.27 3.93 1.59 0.00 -1.26 -4.48 105.19 107.89 1n18 n GLY 72 Ca 0.04 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.65 1.49 0.58 -0.02 0.00 -1.20 -4.68 107.32 101.85 1n18 s GLY 73 Ca 0.07 -0.85 0.28 0.00 0.00 0.00 0.00 44.72 44.22 1n18 s GLY 73 CO 0.05 -0.69 2.12 -0.56 0.00 0.00 0.00 173.10 174.01 1n18 h PRO 74 N 0.39 0.00 0.00 2.90 0.13 -1.87 -1.53 132.00 132.02 1n18 h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n18 h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n18 h PRO 74 CO 0.60 0.00 -0.11 1.63 -0.23 0.00 0.00 178.00 179.88 1n18 n LYS 75 N -3.86 0.20 -2.70 0.86 5.02 -1.26 -4.88 118.16 111.53 1n18 n LYS 75 Ca 0.01 0.14 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1n18 n LYS 75 Cb 0.30 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1n18 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n18 s ASP 76 N -4.09 7.04 0.11 4.39 -0.00 -0.58 -4.96 116.67 118.58 1n18 s ASP 76 Ca 0.11 1.87 -0.11 0.00 -0.00 0.00 0.00 52.55 54.43 1n18 s ASP 76 Cb 0.14 -2.57 -0.14 0.00 -0.00 0.00 0.00 42.92 40.35 1n18 s ASP 76 CO 0.61 -0.29 1.29 -0.08 -0.00 0.00 0.00 175.17 176.70 1n18 h GLU 77 N 2.64 0.68 -5.59 8.23 4.81 -1.90 -3.39 114.58 120.06 1n18 h GLU 77 Ca -0.48 -0.62 -0.62 0.00 -0.13 0.00 0.00 59.36 57.51 1n18 h GLU 77 Cb 1.20 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.59 1n18 h GLU 77 CO 0.63 1.22 0.51 -2.00 -0.73 0.00 0.00 179.01 178.64 1n18 s GLU 78 N -3.58 3.21 0.17 1.92 2.56 -1.26 -4.95 118.70 116.77 1n18 s GLU 78 Ca -0.09 -0.58 -0.24 0.00 0.00 0.00 0.00 54.97 54.06 1n18 s GLU 78 Cb 0.08 -4.14 0.06 0.00 2.00 0.00 0.00 34.13 32.14 1n18 s GLU 78 CO 0.90 -1.61 0.90 -0.98 -0.56 0.00 0.00 175.26 173.91 1n18 s ARG 79 N 3.89 1.28 0.40 4.30 1.04 -1.18 -3.99 118.95 124.69 1n18 s ARG 79 Ca 0.25 -0.70 -0.15 0.00 -1.04 0.00 0.00 55.73 54.09 1n18 s ARG 79 Cb -0.15 0.45 -0.09 0.00 -2.04 0.00 0.00 34.95 33.12 1n18 s ARG 79 CO 0.14 -0.59 0.83 -1.01 -0.04 0.00 0.00 175.30 174.64 1n18 s HIS 80 N -3.40 3.40 0.30 5.89 3.76 -1.22 -4.64 115.29 119.38 1n18 s HIS 80 Ca 0.11 1.29 -0.01 0.00 -0.15 0.00 0.00 55.06 56.30 1n18 s HIS 80 Cb -0.02 -2.62 0.46 0.00 1.11 0.00 0.00 32.58 31.52 1n18 s HIS 80 CO 0.02 -0.08 1.96 0.28 -0.85 0.00 0.00 174.74 176.07 1n18 h VAL 81 N 1.55 1.18 0.00 -0.90 2.07 -1.80 -2.40 116.25 115.95 1n18 h VAL 81 Ca -0.48 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1n18 h VAL 81 Cb 1.18 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1n18 h VAL 81 CO 0.63 0.20 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1n18 n GLY 82 N -1.41 -0.89 3.55 2.17 0.00 -0.69 -4.35 105.19 103.58 1n18 n GLY 82 Ca 0.10 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.67 5.96 -0.00 1.61 1.01 -0.91 -0.81 116.67 121.87 1n18 s ASP 83 Ca 0.27 -0.56 0.23 0.00 0.71 0.00 0.00 52.55 53.19 1n18 s ASP 83 Cb 0.12 -2.56 0.65 0.00 1.01 0.00 0.00 42.92 42.14 1n18 s ASP 83 CO 0.21 -1.96 1.54 0.18 0.21 0.00 0.00 175.17 175.35 1n18 n LEU 84 N 10.40 3.92 0.00 1.23 4.77 -1.05 -3.74 117.00 132.53 1n18 n LEU 84 Ca 0.17 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 1n18 n LEU 84 Cb 0.50 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1n18 n LEU 84 CO 0.69 0.98 0.00 0.61 -1.33 0.00 0.00 177.39 178.34 1n18 n GLY 85 N 1.67 0.50 3.43 -0.72 0.00 -1.20 -4.78 105.19 104.08 1n18 n GLY 85 Ca 0.25 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 3.03 0.09 1.61 0.01 -1.26 -0.89 114.94 113.53 1n18 s ASN 86 Ca 0.00 -1.10 0.07 0.00 -0.71 0.00 0.00 52.86 51.12 1n18 s ASN 86 Cb 0.00 -0.21 -0.03 0.00 0.41 0.00 0.00 41.25 41.41 1n18 s ASN 86 CO 0.00 -0.19 -0.18 0.68 -1.51 0.00 0.00 177.10 175.90 1n18 s VAL 87 N -2.83 1.51 -0.18 1.60 -7.23 -0.70 -4.89 120.40 107.67 1n18 s VAL 87 Ca 0.28 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.94 1n18 s VAL 87 Cb 0.00 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 1n18 s VAL 87 CO 0.12 -0.13 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.82 1n18 s THR 88 N -1.26 3.39 -0.01 5.32 2.01 -1.26 -1.48 115.64 122.35 1n18 s THR 88 Ca 0.04 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1n18 s THR 88 Cb -0.10 -2.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 1n18 s THR 88 CO 0.04 0.46 0.43 0.00 -0.69 0.00 0.00 174.62 174.86 1n18 s ALA 89 N 0.96 3.65 0.93 7.40 0.00 -0.44 -4.23 121.76 130.03 1n18 s ALA 89 Ca -0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1n18 s ALA 89 Cb -0.15 -2.45 0.12 0.00 0.00 0.00 0.00 23.12 20.65 1n18 s ALA 89 CO 0.00 0.39 0.73 -0.40 0.00 0.00 0.00 175.76 176.49 1n18 n ASP 90 N 2.12 0.17 0.25 0.00 3.85 0.77 -1.44 116.55 122.27 1n18 n ASP 90 Ca -0.13 -1.34 0.18 0.00 -0.71 0.00 0.00 54.79 52.80 1n18 n ASP 90 Cb 0.52 -0.55 0.90 0.00 -1.35 0.00 0.00 41.12 40.64 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 -0.32 0.11 2.10 -1.98 0.38 116.57 116.86 1n18 h LYS 91 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1n18 h LYS 91 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1n18 h LYS 91 CO 0.18 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 1n18 n ASP 92 N -3.58 2.40 0.00 7.07 10.43 -1.26 -4.88 116.55 126.72 1n18 n ASP 92 Ca 0.00 -1.87 0.00 0.00 2.57 0.00 0.00 54.79 55.49 1n18 n ASP 92 Cb 0.27 -0.21 0.00 0.00 1.84 0.00 0.00 41.12 43.03 1n18 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n18 n GLY 93 N 1.27 0.44 3.54 0.44 0.00 0.12 -4.74 105.19 106.26 1n18 n GLY 93 Ca 0.17 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 4.13 -0.35 1.61 1.01 -1.26 -1.88 120.40 121.66 1n18 s VAL 94 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1n18 s VAL 94 Cb 0.00 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.61 1n18 s VAL 94 CO 0.00 0.49 0.13 0.00 0.00 0.00 0.00 175.10 175.72 1n18 s ALA 95 N 0.31 3.07 -1.11 5.51 0.00 0.10 -0.17 121.76 129.48 1n18 s ALA 95 Ca -0.02 -1.88 -0.15 0.00 0.00 0.00 0.00 51.96 49.91 1n18 s ALA 95 Cb -0.14 -2.31 0.17 0.00 0.00 0.00 0.00 23.12 20.84 1n18 s ALA 95 CO 0.02 -1.42 1.30 -0.51 0.00 0.00 0.00 175.76 175.15 1n18 s ASP 96 N 1.54 6.95 0.27 0.00 -0.00 -1.26 -1.40 116.67 122.77 1n18 s ASP 96 Ca -0.00 -2.76 -0.31 0.00 -0.00 0.00 0.00 52.55 49.48 1n18 s ASP 96 Cb -0.20 -2.38 -0.12 0.00 -0.00 0.00 0.00 42.92 40.22 1n18 s ASP 96 CO 0.02 -0.79 1.64 -0.69 -0.00 0.00 0.00 175.17 175.34 1n18 s VAL 97 N 1.63 2.05 -0.32 -1.27 1.01 -0.27 -4.90 120.40 118.33 1n18 s VAL 97 Ca 0.38 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1n18 s VAL 97 Cb -0.04 -3.02 0.16 0.00 0.00 0.00 0.00 36.38 33.48 1n18 s VAL 97 CO -0.04 0.01 0.42 -0.55 0.00 0.00 0.00 175.10 174.94 1n18 s SER 98 N 0.71 0.42 0.06 3.32 0.15 -1.25 -2.56 113.70 114.55 1n18 s SER 98 Ca 0.67 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.70 1n18 s SER 98 Cb -0.48 1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1n18 s SER 98 CO 0.43 -0.32 -0.13 -0.63 1.20 0.00 0.00 173.24 173.79 1n18 s ILE 99 N 2.27 1.02 -0.06 6.45 1.01 0.38 -5.00 121.20 127.27 1n18 s ILE 99 Ca 0.12 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1n18 s ILE 99 Cb -0.12 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1n18 s ILE 99 CO -0.23 -0.21 -0.07 -0.70 0.00 0.00 0.00 174.94 173.73 1n18 s GLU 100 N -1.61 1.19 0.00 2.79 2.12 -1.26 0.69 118.70 122.62 1n18 s GLU 100 Ca -0.02 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1n18 s GLU 100 Cb -0.10 -1.12 -0.00 0.00 0.26 0.00 0.00 34.13 33.17 1n18 s GLU 100 CO 0.02 -0.08 -0.02 0.34 -0.54 0.00 0.00 175.26 174.98 1n18 s ASP 101 N 0.98 0.28 0.00 -1.70 -1.08 -0.49 -4.95 116.67 109.71 1n18 s ASP 101 Ca -0.10 -0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.05 1n18 s ASP 101 Cb -0.15 -0.02 0.27 0.00 -1.46 0.00 0.00 42.92 41.56 1n18 s ASP 101 CO 0.00 0.01 1.21 -1.20 0.52 0.00 0.00 175.17 175.71 1n18 n SER 102 N 2.93 2.92 -0.11 -0.34 7.64 -1.26 -0.13 113.62 125.26 1n18 n SER 102 Ca -0.13 -1.86 -0.22 0.00 1.01 0.00 0.00 58.87 57.67 1n18 n SER 102 Cb 0.59 -0.13 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 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 1.14 1.55 -1.59 0.44 0.31 -1.26 -4.86 118.33 114.05 1n18 n VAL 103 Ca 0.14 -0.49 -0.31 0.00 -0.01 0.00 0.00 64.34 63.66 1n18 n VAL 103 Cb 0.50 -1.64 0.05 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.51 3.85 0.16 2.52 -4.36 -1.26 -4.91 121.20 114.69 1n18 s ILE 104 Ca -0.33 0.65 -0.08 0.00 -0.26 0.00 0.00 60.65 60.63 1n18 s ILE 104 Cb 0.10 -3.31 -0.01 0.00 1.25 0.00 0.00 42.46 40.49 1n18 s ILE 104 CO 0.60 -0.74 0.25 -0.55 0.24 0.00 0.00 174.94 174.74 1n18 s SER 105 N -3.54 0.08 -0.05 4.36 0.15 -0.97 -4.63 113.70 109.10 1n18 s SER 105 Ca 0.60 -0.91 0.18 0.00 0.70 0.00 0.00 55.95 56.51 1n18 s SER 105 Cb -0.15 0.41 0.59 0.00 -1.71 0.00 0.00 66.02 65.16 1n18 s SER 105 CO 0.52 -0.86 1.50 0.18 1.20 0.00 0.00 173.24 175.78 1n18 n LEU 106 N -0.19 4.01 -3.55 3.45 4.77 -1.26 -1.33 117.00 122.90 1n18 n LEU 106 Ca -0.07 -2.23 -0.10 0.00 -0.03 0.00 0.00 56.01 53.57 1n18 n LEU 106 Cb 0.63 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1n18 n LEU 106 CO 0.25 0.85 0.47 -0.94 -1.33 0.00 0.00 177.39 176.69 1n18 s SER 107 N -1.04 -0.45 0.00 -1.43 1.04 -1.26 -1.70 113.70 108.85 1n18 s SER 107 Ca 0.43 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1n18 s SER 107 Cb 0.26 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1n18 s SER 107 CO 0.24 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1n18 n GLY 108 N -0.39 -1.80 0.25 7.32 0.00 -1.26 -3.69 105.19 105.62 1n18 n GLY 108 Ca -0.12 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.49 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 0.12 -0.59 1.61 3.45 -2.01 -2.58 116.42 116.42 1n18 h ASP 109 Ca 0.00 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1n18 h ASP 109 Cb 0.00 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 1n18 h ASP 109 CO 0.00 0.21 0.07 1.41 -1.57 0.00 0.00 179.24 179.36 1n18 n HIS 110 N -4.38 2.07 -2.16 4.55 8.25 -1.26 -4.98 115.22 117.30 1n18 n HIS 110 Ca -0.01 -0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 56.16 1n18 n HIS 110 Cb 0.19 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.99 6.84 0.00 0.41 0.15 -0.98 -2.28 113.70 116.85 1n18 s SER 111 Ca 0.54 2.57 0.23 0.00 0.70 0.00 0.00 55.95 59.99 1n18 s SER 111 Cb 0.42 -2.63 0.41 0.00 -1.71 0.00 0.00 66.02 62.50 1n18 s SER 111 CO 0.14 -0.52 1.39 2.30 1.20 0.00 0.00 173.24 177.76 1n18 n ILE 112 N 1.52 0.42 -1.97 6.45 -5.35 -0.44 -4.91 119.36 115.08 1n18 n ILE 112 Ca 0.02 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.38 1n18 n ILE 112 Cb 0.42 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.34 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 -1.58 2.67 0.00 7.28 -1.09 -1.26 -1.83 121.20 125.40 1n18 s ILE 113 Ca 0.37 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1n18 s ILE 113 Cb 0.22 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1n18 s ILE 113 CO 0.32 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1n18 n GLY 114 N 3.20 0.85 2.65 6.18 0.00 0.74 -5.00 105.19 113.81 1n18 n GLY 114 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.14 0.83 -4.77 1.61 1.74 -0.76 -2.64 116.66 110.53 1n18 n ARG 115 Ca 0.00 -2.25 -0.33 0.00 -0.77 0.00 0.00 57.85 54.50 1n18 n ARG 115 Cb 0.00 0.04 -0.14 0.00 -1.02 0.00 0.00 32.46 31.34 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 -1.67 3.07 -0.08 0.55 2.01 -0.96 -0.15 115.64 118.41 1n18 s THR 116 Ca 0.32 -0.66 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 1n18 s THR 116 Cb -0.03 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1n18 s THR 116 CO 0.20 0.52 0.54 -0.22 -0.69 0.00 0.00 174.62 174.98 1n18 s LEU 117 N 0.34 4.32 -0.02 4.42 2.96 -0.23 0.93 118.68 131.39 1n18 s LEU 117 Ca -0.11 0.97 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 1n18 s LEU 117 Cb -0.16 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 1n18 s LEU 117 CO 0.06 0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.27 1n18 s VAL 118 N 0.41 1.12 -0.12 1.68 1.01 -0.21 -1.83 120.40 122.46 1n18 s VAL 118 Ca 0.29 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1n18 s VAL 118 Cb -0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1n18 s VAL 118 CO 0.13 0.32 -0.16 0.54 0.00 0.00 0.00 175.10 175.94 1n18 s VAL 119 N -0.09 2.78 0.48 2.92 0.11 -0.49 -2.19 120.40 123.92 1n18 s VAL 119 Ca 0.01 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 1n18 s VAL 119 Cb -0.08 -2.14 0.02 0.00 -1.53 0.00 0.00 36.38 32.65 1n18 s VAL 119 CO 0.00 0.54 0.69 -1.00 -3.33 0.00 0.00 175.10 172.00 1n18 s HIS 120 N 0.28 2.98 0.12 1.54 3.76 0.26 -1.57 115.29 122.66 1n18 s HIS 120 Ca -0.12 -0.02 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 1n18 s HIS 120 Cb -0.16 -2.50 -0.03 0.00 1.11 0.00 0.00 32.58 30.99 1n18 s HIS 120 CO 0.06 -0.58 1.59 1.49 -0.85 0.00 0.00 174.74 176.45 1n18 h GLU 121 N 0.32 0.60 -5.10 1.40 4.81 -0.69 -3.38 114.58 112.54 1n18 h GLU 121 Ca -0.43 -0.17 -0.66 0.00 -0.13 0.00 0.00 59.36 57.97 1n18 h GLU 121 Cb 1.28 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.46 1n18 h GLU 121 CO 0.53 0.68 -0.50 0.15 -0.73 0.00 0.00 179.01 179.13 1n18 s LYS 122 N -5.16 2.17 0.58 1.92 1.02 0.39 -4.92 119.74 115.74 1n18 s LYS 122 Ca -0.13 -2.39 -0.18 0.00 0.02 0.00 0.00 55.97 53.29 1n18 s LYS 122 Cb 0.09 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 36.09 1n18 s LYS 122 CO 0.77 -0.44 1.12 0.00 -0.92 0.00 0.00 175.35 175.88 1n18 s ALA 123 N -2.97 2.64 -0.20 5.17 0.00 -1.20 -0.48 121.76 124.71 1n18 s ALA 123 Ca 0.07 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 1n18 s ALA 123 Cb 0.01 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1n18 s ALA 123 CO 0.04 -0.90 0.45 0.34 0.00 0.00 0.00 175.76 175.69 1n18 s ASP 124 N -2.04 6.50 0.00 0.00 3.68 -1.26 -3.84 116.67 119.70 1n18 s ASP 124 Ca 0.71 0.59 0.09 0.00 2.13 0.00 0.00 52.55 56.07 1n18 s ASP 124 Cb -0.22 -2.26 0.55 0.00 -1.45 0.00 0.00 42.92 39.54 1n18 s ASP 124 CO 0.31 -0.12 1.32 -0.90 0.13 0.00 0.00 175.17 175.91 1n18 n ASP 125 N 4.57 0.00 -2.25 -0.34 3.85 0.02 -4.87 116.55 117.53 1n18 n ASP 125 Ca -0.07 -1.63 -0.17 0.00 -0.71 0.00 0.00 54.79 52.22 1n18 n ASP 125 Cb 0.51 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.26 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 -0.65 -1.51 -0.05 -2.12 4.77 -1.26 -1.63 117.00 114.55 1n18 n LEU 126 Ca 0.07 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1n18 n LEU 126 Cb 0.03 -2.54 -0.00 0.00 -2.33 0.00 0.00 43.42 38.58 1n18 n LEU 126 CO 0.05 -0.30 -0.01 0.61 -1.33 0.00 0.00 177.39 176.41 1n18 n GLY 127 N -0.81 0.48 1.39 -0.72 0.00 -1.25 -3.27 105.19 101.01 1n18 n GLY 127 Ca -0.19 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.77 3.06 0.03 1.61 5.02 -0.65 -4.59 118.16 119.88 1n18 n LYS 128 Ca -0.01 -3.02 0.12 0.00 -2.02 0.00 0.00 58.31 53.39 1n18 n LYS 128 Cb 0.05 -1.99 0.31 0.00 -0.02 0.00 0.00 35.03 33.37 1n18 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n18 n GLY 129 N -0.47 -1.41 2.89 0.72 0.00 -1.26 -4.98 105.19 100.68 1n18 n GLY 129 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1n18 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n18 n GLY 130 N 1.42 0.93 3.60 -0.02 0.00 -1.26 -4.98 105.19 104.88 1n18 n GLY 130 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.87 3.62 0.33 1.61 2.20 -1.26 -5.04 114.94 113.53 1n18 s ASN 131 Ca 0.00 -1.39 0.03 0.00 -0.94 0.00 0.00 52.86 50.55 1n18 s ASN 131 Cb 0.00 -0.27 0.58 0.00 -2.00 0.00 0.00 41.25 39.56 1n18 s ASN 131 CO 0.00 -0.51 1.90 -0.08 -2.94 0.00 0.00 177.10 175.47 1n18 h GLU 132 N 1.80 0.66 -0.42 3.55 4.81 -1.99 -2.47 114.58 120.52 1n18 h GLU 132 Ca -0.43 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 1n18 h GLU 132 Cb 1.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1n18 h GLU 132 CO 0.78 0.58 0.07 1.49 -0.73 0.00 0.00 179.01 181.20 1n18 h GLU 133 N 0.65 0.64 -0.83 1.92 4.57 -1.99 -2.59 114.58 116.94 1n18 h GLU 133 Ca 0.15 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1n18 h GLU 133 Cb 0.21 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1n18 h GLU 133 CO -0.01 0.61 0.51 1.03 -1.18 0.00 0.00 179.01 179.97 1n18 h SER 134 N 0.62 0.99 0.00 1.04 0.87 -1.78 0.20 113.55 115.49 1n18 h SER 134 Ca 0.14 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1n18 h SER 134 Cb 0.29 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1n18 h SER 134 CO 0.00 0.75 0.00 0.35 -0.53 0.00 0.00 176.83 177.41 1n18 n THR 135 N -4.38 0.00 -0.00 2.23 -2.24 -0.99 -2.29 114.28 106.62 1n18 n THR 135 Ca 0.09 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1n18 n THR 135 Cb 0.06 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.86 0.00 0.00 -0.78 5.02 -0.45 -0.93 118.16 120.17 1n18 n LYS 136 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1n18 n LYS 136 Cb 0.08 -0.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 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 -2.98 0.00 -0.99 -0.18 -2.24 0.59 -4.67 114.28 103.80 1n18 n THR 137 Ca -0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1n18 n THR 137 Cb 0.50 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.71 0.54 3.35 3.38 0.00 -0.97 -3.49 105.19 108.71 1n18 n GLY 138 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.08 -6.11 -0.02 1.61 3.02 -1.25 -0.80 115.26 111.64 1n18 n ASN 139 Ca 0.00 -0.44 0.16 0.00 -0.03 0.00 0.00 54.58 54.27 1n18 n ASN 139 Cb 0.04 -4.87 0.87 0.00 -0.61 0.00 0.00 39.78 35.21 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 -4.29 2.63 -0.20 5.41 0.00 -1.23 -4.73 120.51 118.10 1n18 n ALA 140 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1n18 n ALA 140 Cb 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.10 -1.11 3.66 0.00 0.00 -1.26 -0.46 105.19 107.12 1n18 n GLY 141 Ca 0.21 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 2.86 -0.45 1.61 1.04 -1.26 -4.60 113.70 108.90 1n18 s SER 142 Ca 0.00 1.85 -0.19 0.00 0.48 0.00 0.00 55.95 58.09 1n18 s SER 142 Cb 0.00 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1n18 s SER 142 CO 0.00 -3.08 0.56 -0.13 0.98 0.00 0.00 173.24 171.57 1n18 s ARG 143 N -4.71 3.17 0.09 4.02 0.52 -1.26 -0.44 118.95 120.33 1n18 s ARG 143 Ca 0.66 -0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 55.19 1n18 s ARG 143 Cb -0.21 -3.99 -0.24 0.00 0.52 0.00 0.00 34.95 31.02 1n18 s ARG 143 CO 0.59 -1.00 1.18 -0.07 0.02 0.00 0.00 175.30 176.02 1n18 h LEU 144 N 9.45 0.37 -7.06 2.53 3.38 -1.58 -3.47 115.31 118.92 1n18 h LEU 144 Ca -0.26 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 1n18 h LEU 144 Cb 1.10 -0.12 -0.18 0.00 0.09 0.00 0.00 40.66 41.55 1n18 h LEU 144 CO 0.87 1.28 0.14 0.00 0.09 0.00 0.00 178.44 180.83 1n18 s ALA 145 N -2.74 -1.63 0.25 1.53 0.00 -1.17 -3.95 121.76 114.05 1n18 s ALA 145 Ca -0.03 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 1n18 s ALA 145 Cb 0.08 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1n18 s ALA 145 CO 0.87 -0.42 0.59 0.00 0.00 0.00 0.00 175.76 176.81 1n18 s GLY 147 N -2.94 -0.33 0.14 0.00 0.00 -0.76 -1.75 107.32 101.67 1n18 s GLY 147 Ca 0.15 1.96 -0.30 0.00 0.00 0.00 0.00 44.72 46.52 1n18 s GLY 147 CO 0.05 1.16 1.11 0.14 0.00 0.00 0.00 173.10 175.57 1n18 s VAL 148 N -0.87 3.99 -0.36 1.40 1.01 -1.26 -1.07 120.40 123.23 1n18 s VAL 148 Ca -0.03 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 1n18 s VAL 148 Cb -0.01 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1n18 s VAL 148 CO 0.02 0.23 1.13 -0.63 0.00 0.00 0.00 175.10 175.85 1n18 s ILE 149 N 0.15 4.37 0.27 2.22 1.01 0.79 -4.51 121.20 125.50 1n18 s ILE 149 Ca 0.52 1.54 0.10 0.00 0.00 0.00 0.00 60.65 62.81 1n18 s ILE 149 Cb -0.29 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 1n18 s ILE 149 CO 0.33 -0.61 -0.04 -0.83 0.00 0.00 0.00 174.94 173.78 1n18 s GLY 150 N 2.04 1.71 0.19 6.18 0.00 -0.20 -0.18 107.32 117.06 1n18 s GLY 150 Ca 0.48 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 1n18 s GLY 150 CO 0.21 -1.77 1.36 -0.42 0.00 0.00 0.00 173.10 172.48 1n18 s ILE 151 N -2.36 3.08 0.40 0.90 1.01 -1.26 -1.22 121.20 121.75 1n18 s ILE 151 Ca 0.31 0.87 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1n18 s ILE 151 Cb -0.06 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1n18 s ILE 151 CO 0.19 0.12 0.12 0.00 0.00 0.00 0.00 174.94 175.37 1n18 s ALA 152 N 0.29 2.89 0.00 9.38 0.00 -0.75 -4.83 121.76 128.75 1n18 s ALA 152 Ca 0.59 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1n18 s ALA 152 Cb -0.38 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1n18 s ALA 152 CO 0.38 -0.33 0.28 0.00 0.00 0.00 0.00 175.76 176.09