#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i18 s PHE 2 N 0.00 -0.11 0.00 2.03 -0.12 -1.26 -5.08 117.98 113.45 1i18 s PHE 2 Ca 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.01 1i18 s PHE 2 Cb 0.00 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1i18 s PHE 2 CO 0.00 -0.13 0.00 0.25 -0.05 0.00 0.00 175.22 175.29 1i18 n THR 3 N 0.26 0.00 -1.80 -4.49 -2.24 -1.26 -4.97 114.28 99.78 1i18 n THR 3 Ca -0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1i18 n THR 3 Cb 0.58 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1i18 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i18 n GLY 4 N -0.27 0.05 3.75 3.38 0.00 -1.26 -4.83 105.19 106.02 1i18 n GLY 4 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1i18 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i18 s ILE 5 N -1.88 3.84 0.06 -0.61 1.01 -1.26 -4.61 121.20 117.74 1i18 s ILE 5 Ca 0.00 1.76 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 1i18 s ILE 5 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1i18 s ILE 5 CO 0.00 0.38 0.27 -0.69 0.00 0.00 0.00 174.94 174.90 1i18 s VAL 6 N -0.86 5.31 -0.13 2.92 1.01 -1.26 -4.98 120.40 122.40 1i18 s VAL 6 Ca 0.45 -0.06 0.21 0.00 0.00 0.00 0.00 61.98 62.58 1i18 s VAL 6 Cb -0.29 -3.60 -0.19 0.00 0.00 0.00 0.00 36.38 32.31 1i18 s VAL 6 CO 0.36 0.21 0.67 0.00 0.00 0.00 0.00 175.10 176.34 1i18 n GLN 7 N 0.60 0.64 -4.16 2.72 6.02 -1.25 -4.99 117.38 116.96 1i18 n GLN 7 Ca -0.07 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.77 1i18 n GLN 7 Cb 0.52 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 30.05 1i18 n GLN 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1i18 s GLY 8 N -4.62 1.59 0.28 1.08 0.00 -1.02 -5.04 107.32 99.57 1i18 s GLY 8 Ca -0.05 -1.63 0.05 0.00 0.00 0.00 0.00 44.72 43.09 1i18 s GLY 8 CO 0.85 -1.18 -0.02 -0.51 0.00 0.00 0.00 173.10 172.24 1i18 s THR 9 N -3.55 1.40 0.05 0.90 -4.23 -1.26 0.11 115.64 109.07 1i18 s THR 9 Ca 0.34 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1i18 s THR 9 Cb 0.02 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1i18 s THR 9 CO 0.19 -0.25 -0.10 0.00 -0.54 0.00 0.00 174.62 173.92 1i18 s ALA 10 N -3.17 0.79 -0.28 3.99 0.00 0.13 -4.05 121.76 119.17 1i18 s ALA 10 Ca 0.31 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1i18 s ALA 10 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1i18 s ALA 10 CO 0.12 0.06 0.07 0.21 0.00 0.00 0.00 175.76 176.22 1i18 s LYS 11 N -1.47 3.31 0.15 0.00 2.20 -0.78 0.94 119.74 124.08 1i18 s LYS 11 Ca -0.06 -0.71 -0.31 0.00 -0.36 0.00 0.00 55.97 54.53 1i18 s LYS 11 Cb -0.09 -3.34 -0.11 0.00 -1.51 0.00 0.00 37.83 32.78 1i18 s LYS 11 CO 0.01 -0.34 1.82 -0.11 -0.36 0.00 0.00 175.35 176.37 1i18 n LEU 12 N 4.89 4.07 0.00 5.43 7.94 0.79 0.10 117.00 140.22 1i18 n LEU 12 Ca -0.15 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1i18 n LEU 12 Cb 0.49 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1i18 n LEU 12 CO 0.31 0.20 -0.38 0.55 -1.11 0.00 0.00 177.39 176.96 1i18 n VAL 13 N 4.56 0.00 -3.80 1.96 3.14 -0.86 -0.98 118.33 122.35 1i18 n VAL 13 Ca 0.18 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.43 1i18 n VAL 13 Cb 0.37 -0.72 -0.11 0.00 -1.06 0.00 0.00 33.84 32.32 1i18 n VAL 13 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1i18 s SER 14 N -2.60 -0.20 -0.16 6.55 0.15 -1.13 -4.84 113.70 111.47 1i18 s SER 14 Ca 0.00 0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.95 1i18 s SER 14 Cb 0.00 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1i18 s SER 14 CO 0.00 -0.16 -0.03 -0.63 1.20 0.00 0.00 173.24 173.62 1i18 s ILE 15 N -0.23 3.97 -0.28 6.45 1.01 -1.26 -0.71 121.20 130.14 1i18 s ILE 15 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1i18 s ILE 15 Cb -0.03 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1i18 s ILE 15 CO 0.01 0.49 0.13 -1.81 0.00 0.00 0.00 174.94 173.76 1i18 s ASP 16 N 0.33 5.45 -0.41 3.58 1.01 0.16 -4.97 116.67 121.83 1i18 s ASP 16 Ca -0.03 -0.35 -0.08 0.00 0.71 0.00 0.00 52.55 52.80 1i18 s ASP 16 Cb -0.14 -1.99 0.07 0.00 1.01 0.00 0.00 42.92 41.88 1i18 s ASP 16 CO 0.03 -0.12 0.24 -1.61 0.21 0.00 0.00 175.17 173.91 1i18 s GLU 17 N 1.63 2.57 -0.18 8.23 2.02 -1.26 0.15 118.70 131.86 1i18 s GLU 17 Ca 0.06 -1.44 -0.08 0.00 0.02 0.00 0.00 54.97 53.52 1i18 s GLU 17 Cb -0.16 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 1i18 s GLU 17 CO 0.06 -0.92 0.09 0.15 0.02 0.00 0.00 175.26 174.66 1i18 s LYS 18 N 1.41 4.02 0.63 1.61 -0.14 0.08 -4.95 119.74 122.40 1i18 s LYS 18 Ca 0.03 -0.29 0.24 0.00 -1.36 0.00 0.00 55.97 54.59 1i18 s LYS 18 Cb -0.22 -3.28 1.33 0.00 -1.68 0.00 0.00 37.83 33.97 1i18 s LYS 18 CO 0.02 0.31 1.74 -1.00 -0.76 0.00 0.00 175.35 175.66 1i18 h PRO 19 N 6.58 0.00 0.10 -1.68 0.13 -2.02 0.42 132.00 135.54 1i18 h PRO 19 Ca -0.39 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.38 1i18 h PRO 19 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1i18 h PRO 19 CO 0.72 0.00 -1.97 0.09 -0.23 0.00 0.00 178.00 176.61 1i18 n ASN 20 N -2.75 1.92 -3.68 1.44 5.03 -1.26 -4.99 115.26 110.98 1i18 n ASN 20 Ca -0.02 0.23 -0.15 0.00 0.87 0.00 0.00 54.58 55.52 1i18 n ASN 20 Cb 0.45 -0.72 -0.08 0.00 -1.02 0.00 0.00 39.78 38.42 1i18 n ASN 20 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1i18 s PHE 21 N -2.56 -0.34 0.18 3.10 0.08 0.15 -4.92 117.98 113.66 1i18 s PHE 21 Ca -0.20 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.24 1i18 s PHE 21 Cb 0.07 0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 42.65 1i18 s PHE 21 CO 0.78 -0.47 0.62 0.50 -0.10 0.00 0.00 175.22 176.55 1i18 s ARG 22 N -1.33 4.08 -0.00 0.44 3.52 0.18 -0.74 118.95 125.10 1i18 s ARG 22 Ca -0.12 0.63 0.03 0.00 -0.13 0.00 0.00 55.73 56.14 1i18 s ARG 22 Cb -0.03 -2.89 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1i18 s ARG 22 CO 0.06 0.43 -0.09 0.99 -0.81 0.00 0.00 175.30 175.88 1i18 s THR 23 N -1.51 0.72 -0.05 4.11 2.01 0.40 0.02 115.64 121.34 1i18 s THR 23 Ca 0.40 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1i18 s THR 23 Cb -0.15 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.75 1i18 s THR 23 CO 0.20 0.16 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.18 1i18 s HIS 24 N -0.30 1.27 -0.13 4.92 3.76 -0.32 0.38 115.29 124.87 1i18 s HIS 24 Ca 0.03 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.50 1i18 s HIS 24 Cb -0.04 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.69 1i18 s HIS 24 CO -0.00 -0.21 -0.05 0.08 -0.85 0.00 0.00 174.74 173.71 1i18 s VAL 25 N 0.51 3.77 0.41 -0.90 1.01 0.11 0.11 120.40 125.42 1i18 s VAL 25 Ca -0.10 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1i18 s VAL 25 Cb -0.13 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1i18 s VAL 25 CO 0.02 0.52 0.08 0.68 0.00 0.00 0.00 175.10 176.40 1i18 s VAL 26 N 0.08 2.14 -0.28 2.92 -7.23 -0.61 -2.02 120.40 115.40 1i18 s VAL 26 Ca -0.01 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.18 1i18 s VAL 26 Cb -0.14 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 1i18 s VAL 26 CO 0.03 -0.01 0.15 -0.70 -0.31 0.00 0.00 175.10 174.26 1i18 s GLU 27 N -3.79 3.64 -0.11 4.82 2.12 0.28 -0.61 118.70 125.04 1i18 s GLU 27 Ca 0.37 -0.52 -0.26 0.00 0.36 0.00 0.00 54.97 54.93 1i18 s GLU 27 Cb 0.07 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 1i18 s GLU 27 CO 0.20 -0.28 0.83 -1.17 -0.54 0.00 0.00 175.26 174.30 1i18 s LEU 28 N 1.67 4.24 1.31 2.70 2.96 -0.68 -1.86 118.68 129.02 1i18 s LEU 28 Ca 0.06 1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 55.04 1i18 s LEU 28 Cb -0.16 -3.26 0.33 0.00 0.50 0.00 0.00 46.19 43.60 1i18 s LEU 28 CO 0.07 -0.30 1.00 -2.16 -1.32 0.00 0.00 176.35 173.64 1i18 s PRO 29 N 1.61 -2.05 0.25 0.98 0.04 -1.26 -4.47 135.00 130.11 1i18 s PRO 29 Ca 0.41 0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.56 1i18 s PRO 29 Cb -0.18 -1.48 0.26 0.00 0.04 0.00 0.00 34.50 33.15 1i18 s PRO 29 CO 0.16 -4.31 1.93 -0.44 0.04 0.00 0.00 177.00 174.39 1i18 h ASP 30 N -3.01 1.15 -0.11 6.66 3.32 -1.96 0.64 116.42 123.12 1i18 h ASP 30 Ca -0.47 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1i18 h ASP 30 Cb 1.33 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1i18 h ASP 30 CO 0.34 0.84 0.00 0.00 -1.72 0.00 0.00 179.24 178.70 1i18 n HIS 31 N -4.38 0.13 0.28 4.55 1.44 -1.26 -3.35 115.22 112.63 1i18 n HIS 31 Ca 0.12 -0.07 0.04 0.00 -2.01 0.00 0.00 57.72 55.80 1i18 n HIS 31 Cb 0.01 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.08 1i18 n HIS 31 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1i18 n MET 32 N 0.30 3.75 -0.11 -1.40 2.81 -0.93 -4.57 117.12 116.96 1i18 n MET 32 Ca 0.17 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.92 1i18 n MET 32 Cb 0.35 -0.91 -0.03 0.00 -0.71 0.00 0.00 33.22 31.92 1i18 n MET 32 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1i18 h LEU 33 N 0.00 1.00 -8.90 4.03 3.38 -0.89 -3.37 115.31 110.56 1i18 h LEU 33 Ca 0.00 -0.47 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 1i18 h LEU 33 Cb 0.21 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 1i18 h LEU 33 CO 0.00 1.27 0.68 -0.62 0.09 0.00 0.00 178.44 179.86 1i18 s ASP 34 N -6.85 6.79 0.00 -0.43 -1.08 -1.25 -4.11 116.67 109.74 1i18 s ASP 34 Ca -0.11 0.81 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1i18 s ASP 34 Cb 0.11 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1i18 s ASP 34 CO 0.88 -0.83 0.00 0.61 0.52 0.00 0.00 175.17 176.36 1i18 n GLY 35 N 4.12 3.30 3.73 2.66 0.00 -1.26 -5.04 105.19 112.70 1i18 n GLY 35 Ca 0.09 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1i18 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i18 s LEU 36 N 0.00 3.50 0.22 0.99 2.96 -1.26 -5.03 118.68 120.06 1i18 s LEU 36 Ca 0.00 2.51 -0.11 0.00 -0.22 0.00 0.00 54.13 56.31 1i18 s LEU 36 Cb 0.00 -4.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.08 1i18 s LEU 36 CO 0.00 -2.05 0.40 -1.83 -1.32 0.00 0.00 176.35 171.55 1i18 s GLU 37 N -3.54 1.40 0.65 1.98 -1.05 -1.26 -5.06 118.70 111.83 1i18 s GLU 37 Ca 0.79 -1.23 -0.16 0.00 -0.15 0.00 0.00 54.97 54.22 1i18 s GLU 37 Cb -0.34 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1i18 s GLU 37 CO 0.41 -0.56 1.17 0.95 0.95 0.00 0.00 175.26 178.18 1i18 s THR 38 N -4.01 2.75 0.00 1.83 -4.23 -1.26 -2.17 115.64 108.56 1i18 s THR 38 Ca 0.22 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1i18 s THR 38 Cb 0.01 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1i18 s THR 38 CO 0.06 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1i18 n GLY 39 N 0.13 1.92 3.83 3.99 0.00 -0.48 -4.90 105.19 109.69 1i18 n GLY 39 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1i18 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i18 s ALA 40 N -3.50 2.90 -0.43 4.61 0.00 -0.92 -4.60 121.76 119.81 1i18 s ALA 40 Ca 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 1i18 s ALA 40 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.00 1i18 s ALA 40 CO 0.00 -0.69 0.32 -1.54 0.00 0.00 0.00 175.76 173.85 1i18 s SER 41 N -3.33 6.08 -0.15 0.00 1.04 -1.10 -1.07 113.70 115.16 1i18 s SER 41 Ca 0.59 -1.07 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 1i18 s SER 41 Cb -0.13 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1i18 s SER 41 CO 0.42 -0.51 0.38 -0.69 0.98 0.00 0.00 173.24 173.81 1i18 s VAL 42 N 1.65 5.25 -0.27 5.02 1.01 0.10 -0.21 120.40 132.95 1i18 s VAL 42 Ca 0.04 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 1i18 s VAL 42 Cb -0.21 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1i18 s VAL 42 CO 0.08 0.35 0.48 0.00 0.00 0.00 0.00 175.10 176.01 1i18 s ALA 43 N 0.64 3.57 -0.60 5.51 0.00 -0.74 -1.26 121.76 128.89 1i18 s ALA 43 Ca 0.21 -0.70 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 1i18 s ALA 43 Cb -0.14 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.19 1i18 s ALA 43 CO 0.07 -0.76 0.88 -1.01 0.00 0.00 0.00 175.76 174.93 1i18 s HIS 44 N 2.26 2.80 -0.30 0.00 3.76 -0.36 -1.72 115.29 121.72 1i18 s HIS 44 Ca 0.19 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1i18 s HIS 44 Cb -0.16 -4.08 0.00 0.00 1.11 0.00 0.00 32.58 29.45 1i18 s HIS 44 CO 0.10 -1.43 0.00 -1.71 -0.85 0.00 0.00 174.74 170.85 1i18 n ASN 45 N 7.26 -5.40 0.00 1.40 2.85 0.92 -2.01 115.26 120.28 1i18 n ASN 45 Ca -0.03 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1i18 n ASN 45 Cb 0.46 -3.42 0.00 0.00 1.24 0.00 0.00 39.78 38.06 1i18 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i18 n GLY 46 N 0.72 1.01 3.51 8.20 0.00 -1.24 -4.93 105.19 112.45 1i18 n GLY 46 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1i18 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i18 s LEU 49 N 1.44 1.37 0.27 0.00 2.34 -0.39 -4.95 118.68 118.76 1i18 s LEU 49 Ca 0.58 -0.48 0.02 0.00 0.06 0.00 0.00 54.13 54.31 1i18 s LEU 49 Cb -0.27 1.01 -0.03 0.00 -0.56 0.00 0.00 46.19 46.33 1i18 s LEU 49 CO 0.27 -0.63 0.43 -0.89 -1.06 0.00 0.00 176.35 174.47 1i18 s THR 50 N -3.11 5.20 -0.32 5.48 2.01 -1.26 0.03 115.64 123.67 1i18 s THR 50 Ca -0.01 -0.70 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 1i18 s THR 50 Cb 0.01 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1i18 s THR 50 CO -0.07 -0.38 0.94 -0.69 -0.69 0.00 0.00 174.62 173.73 1i18 s VAL 51 N -2.08 4.64 0.14 3.82 1.01 -0.23 -2.58 120.40 125.13 1i18 s VAL 51 Ca 0.37 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1i18 s VAL 51 Cb -0.10 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1i18 s VAL 51 CO 0.32 -0.38 1.47 0.71 0.00 0.00 0.00 175.10 177.22 1i18 h THR 52 N 5.67 1.27 -2.41 3.92 1.35 -0.47 -1.26 112.91 120.98 1i18 h THR 52 Ca -0.22 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.03 1i18 h THR 52 Cb 1.08 1.41 -0.16 0.00 -1.73 0.00 0.00 68.15 68.75 1i18 h THR 52 CO 0.96 0.53 0.24 -0.70 -0.25 0.00 0.00 175.52 176.30 1i18 s GLU 53 N -4.36 1.11 -0.15 4.72 2.12 -0.88 -4.83 118.70 116.43 1i18 s GLU 53 Ca -0.11 -0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.10 1i18 s GLU 53 Cb 0.11 0.52 -0.02 0.00 0.26 0.00 0.00 34.13 34.99 1i18 s GLU 53 CO 0.88 -0.42 -0.06 0.42 -0.54 0.00 0.00 175.26 175.55 1i18 s ILE 54 N -2.38 3.73 -0.97 -3.70 1.01 -1.26 0.10 121.20 117.72 1i18 s ILE 54 Ca -0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1i18 s ILE 54 Cb -0.01 -2.62 0.31 0.00 0.01 0.00 0.00 42.46 40.16 1i18 s ILE 54 CO -0.01 0.50 1.51 0.59 0.00 0.00 0.00 174.94 177.52 1i18 n ASN 55 N 3.52 6.39 0.00 3.58 3.02 0.10 -4.93 115.26 126.94 1i18 n ASN 55 Ca -0.18 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1i18 n ASN 55 Cb 0.53 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1i18 n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i18 n GLY 56 N 0.58 1.95 0.20 7.41 0.00 -1.26 -2.00 105.19 112.07 1i18 n GLY 56 Ca 0.35 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1i18 n GLY 56 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1i18 h ASN 57 N 0.00 0.00 -4.35 1.61 -1.07 -1.93 -3.46 115.58 106.39 1i18 h ASN 57 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 1i18 h ASN 57 Cb 0.00 0.00 0.08 0.00 -2.07 0.00 0.00 38.32 36.33 1i18 h ASN 57 CO 0.00 0.11 0.40 -1.00 0.07 0.00 0.00 177.43 177.00 1i18 s HIS 58 N -3.16 3.39 -0.14 4.14 3.76 -0.85 -1.69 115.29 120.74 1i18 s HIS 58 Ca 0.06 1.35 -0.04 0.00 -0.15 0.00 0.00 55.06 56.29 1i18 s HIS 58 Cb 0.06 -2.80 0.07 0.00 1.11 0.00 0.00 32.58 31.02 1i18 s HIS 58 CO 0.69 -0.95 0.20 0.08 -0.85 0.00 0.00 174.74 173.91 1i18 s VAL 59 N -3.12 -0.30 -0.01 -0.90 1.01 0.22 0.03 120.40 117.33 1i18 s VAL 59 Ca 0.56 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 1i18 s VAL 59 Cb -0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1i18 s VAL 59 CO 0.54 -0.02 0.91 -0.44 0.00 0.00 0.00 175.10 176.09 1i18 s SER 60 N 2.32 7.27 0.27 3.32 0.01 0.28 -1.57 113.70 125.60 1i18 s SER 60 Ca 0.04 1.54 0.10 0.00 1.31 0.00 0.00 55.95 58.95 1i18 s SER 60 Cb -0.14 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1i18 s SER 60 CO -0.09 -0.22 -0.07 -0.36 0.41 0.00 0.00 173.24 172.92 1i18 s PHE 61 N 0.92 2.57 0.11 2.43 0.08 0.30 0.27 117.98 124.65 1i18 s PHE 61 Ca 0.48 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 57.21 1i18 s PHE 61 Cb -0.20 -1.13 -0.06 0.00 -0.57 0.00 0.00 43.02 41.06 1i18 s PHE 61 CO 0.25 0.65 0.38 0.16 -0.10 0.00 0.00 175.22 176.56 1i18 s ASP 62 N -3.62 6.54 -0.29 1.36 -4.77 -1.06 -1.17 116.67 113.66 1i18 s ASP 62 Ca 0.31 0.66 -0.07 0.00 -3.30 0.00 0.00 52.55 50.15 1i18 s ASP 62 Cb -0.06 -2.12 0.15 0.00 -1.09 0.00 0.00 42.92 39.80 1i18 s ASP 62 CO 0.18 0.11 0.61 -0.76 0.70 0.00 0.00 175.17 176.01 1i18 s LEU 63 N -2.32 -1.17 0.42 2.11 1.43 0.10 -4.70 118.68 114.55 1i18 s LEU 63 Ca 0.37 1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 54.51 1i18 s LEU 63 Cb -0.13 2.16 -0.09 0.00 0.03 0.00 0.00 46.19 48.16 1i18 s LEU 63 CO 0.21 -0.24 1.04 -0.32 0.23 0.00 0.00 176.35 177.28 1i18 s MET 64 N 2.85 4.09 0.09 1.70 -2.45 -1.26 -0.65 119.30 123.67 1i18 s MET 64 Ca 0.04 1.47 -0.23 0.00 -1.25 0.00 0.00 55.69 55.72 1i18 s MET 64 Cb -0.13 -2.43 -0.14 0.00 1.25 0.00 0.00 34.83 33.37 1i18 s MET 64 CO -0.19 -0.20 1.74 -0.22 1.05 0.00 0.00 175.02 177.20 1i18 h LYS 65 N 2.28 0.03 -0.57 4.11 3.64 -1.91 0.76 116.57 124.91 1i18 h LYS 65 Ca -0.49 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1i18 h LYS 65 Cb 1.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1i18 h LYS 65 CO 0.62 0.03 0.18 1.49 -2.27 0.00 0.00 179.45 179.49 1i18 h GLU 66 N 0.03 0.89 -0.99 1.90 4.81 -1.99 0.67 114.58 119.90 1i18 h GLU 66 Ca 0.01 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1i18 h GLU 66 Cb -0.00 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1i18 h GLU 66 CO -0.00 0.80 0.63 1.15 -0.73 0.00 0.00 179.01 180.86 1i18 h THR 67 N 0.80 1.26 -0.69 0.32 2.02 -1.87 0.48 112.91 115.23 1i18 h THR 67 Ca 0.19 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1i18 h THR 67 Cb 0.28 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1i18 h THR 67 CO -0.01 0.26 0.46 0.25 0.37 0.00 0.00 175.52 176.85 1i18 h LEU 68 N 1.35 0.79 -0.37 2.58 5.85 0.14 0.10 115.31 125.75 1i18 h LEU 68 Ca 0.36 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.89 1i18 h LEU 68 Cb -0.12 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 1i18 h LEU 68 CO -0.07 0.57 -0.41 0.03 -0.34 0.00 0.00 178.44 178.22 1i18 h ARG 69 N 0.94 0.93 -0.39 1.25 2.47 0.09 -2.42 114.38 117.26 1i18 h ARG 69 Ca 0.25 -0.51 -0.06 0.00 -1.26 0.00 0.00 59.98 58.41 1i18 h ARG 69 Cb -0.11 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1i18 h ARG 69 CO -0.06 1.16 0.00 0.97 0.56 0.00 0.00 179.97 182.61 1i18 h ILE 70 N 0.75 1.26 -2.68 2.04 2.10 0.44 -3.44 117.51 117.98 1i18 h ILE 70 Ca 0.05 -0.99 -0.05 0.00 1.08 0.00 0.00 64.86 64.95 1i18 h ILE 70 Cb 1.01 1.14 0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1i18 h ILE 70 CO 0.10 0.33 0.03 0.35 -1.08 0.00 0.00 178.15 177.89 1i18 n THR 71 N -4.46 0.00 -1.00 2.19 -2.24 0.31 -4.96 114.28 104.11 1i18 n THR 71 Ca -0.01 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.67 1i18 n THR 71 Cb 0.28 -1.71 0.33 0.00 -2.10 0.00 0.00 70.33 67.13 1i18 n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i18 n ASN 72 N -3.05 4.91 -0.21 3.42 5.15 -1.26 -4.35 115.26 119.86 1i18 n ASN 72 Ca 0.02 -3.09 -0.09 0.00 -0.60 0.00 0.00 54.58 50.81 1i18 n ASN 72 Cb 0.06 -0.67 0.03 0.00 -0.53 0.00 0.00 39.78 38.66 1i18 n ASN 72 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1i18 h LEU 73 N 2.95 1.07 -1.74 1.20 3.38 -1.86 -2.69 115.31 117.61 1i18 h LEU 73 Ca 0.10 -0.31 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1i18 h LEU 73 Cb 1.98 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1i18 h LEU 73 CO 0.51 1.12 0.63 1.23 0.09 0.00 0.00 178.44 182.02 1i18 h GLY 74 N 0.99 0.00 2.00 0.83 0.00 -1.63 0.42 103.07 105.69 1i18 h GLY 74 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1i18 h GLY 74 CO 0.03 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.86 1i18 h ASP 75 N 0.00 0.00 -3.95 0.19 2.03 -1.77 -3.44 116.42 109.47 1i18 h ASP 75 Ca 0.25 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 56.01 1i18 h ASP 75 Cb 1.50 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 40.11 1i18 h ASP 75 CO -0.00 0.00 0.78 -0.76 -1.03 0.00 0.00 179.24 178.23 1i18 s LEU 76 N -5.10 4.30 -0.05 0.15 1.43 0.14 -5.01 118.68 114.53 1i18 s LEU 76 Ca 0.00 3.07 -0.05 0.00 -1.03 0.00 0.00 54.13 56.13 1i18 s LEU 76 Cb 0.09 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1i18 s LEU 76 CO 0.38 -0.92 0.15 -0.54 0.23 0.00 0.00 176.35 175.64 1i18 s LYS 77 N -2.14 0.18 0.63 1.70 1.02 -1.26 -5.12 119.74 114.76 1i18 s LYS 77 Ca 0.54 0.18 -0.18 0.00 0.02 0.00 0.00 55.97 56.53 1i18 s LYS 77 Cb -0.47 0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 36.91 1i18 s LYS 77 CO 0.64 -0.02 1.27 0.08 -0.92 0.00 0.00 175.35 176.39 1i18 s VAL 78 N 0.03 2.21 0.00 3.17 1.01 -1.26 -1.88 120.40 123.68 1i18 s VAL 78 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1i18 s VAL 78 Cb -0.01 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1i18 s VAL 78 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1i18 n GLY 79 N 0.77 2.17 3.98 4.51 0.00 -0.15 -4.98 105.19 111.48 1i18 n GLY 79 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1i18 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i18 s ASP 80 N -2.30 5.40 0.39 1.61 -1.08 -0.79 -4.86 116.67 115.04 1i18 s ASP 80 Ca 0.00 -0.14 0.08 0.00 -0.52 0.00 0.00 52.55 51.97 1i18 s ASP 80 Cb 0.00 -0.81 -0.07 0.00 -1.46 0.00 0.00 42.92 40.59 1i18 s ASP 80 CO 0.00 -1.02 0.05 0.26 0.52 0.00 0.00 175.17 174.97 1i18 s TRP 81 N -2.63 2.54 0.10 -5.34 0.52 -1.26 -0.15 118.94 112.72 1i18 s TRP 81 Ca 0.57 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1i18 s TRP 81 Cb -0.10 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 1i18 s TRP 81 CO 0.37 0.40 -0.14 0.54 0.02 0.00 0.00 176.95 178.14 1i18 s VAL 82 N -2.63 1.22 -0.58 4.03 0.11 0.27 -4.89 120.40 117.93 1i18 s VAL 82 Ca 0.36 -1.56 -0.28 0.00 -2.93 0.00 0.00 61.98 57.57 1i18 s VAL 82 Cb 0.05 -1.36 0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1i18 s VAL 82 CO 0.19 -0.36 1.21 0.20 -3.33 0.00 0.00 175.10 173.01 1i18 s ASN 83 N -2.20 6.43 -0.09 3.54 -0.87 -1.26 0.20 114.94 120.69 1i18 s ASN 83 Ca 0.05 0.11 -0.02 0.00 -1.57 0.00 0.00 52.86 51.43 1i18 s ASN 83 Cb -0.06 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.58 1i18 s ASN 83 CO 0.02 -1.50 0.02 0.68 -2.57 0.00 0.00 177.10 173.75 1i18 s VAL 84 N 5.03 4.43 0.01 1.60 -7.23 0.12 0.31 120.40 124.67 1i18 s VAL 84 Ca 0.43 -0.20 0.04 0.00 -1.81 0.00 0.00 61.98 60.44 1i18 s VAL 84 Cb -0.08 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 1i18 s VAL 84 CO 0.25 0.61 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.83 1i18 s GLU 85 N -0.90 0.91 -0.21 4.82 2.12 -0.70 -2.45 118.70 122.29 1i18 s GLU 85 Ca 0.13 -0.55 -0.28 0.00 0.36 0.00 0.00 54.97 54.63 1i18 s GLU 85 Cb -0.11 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.39 1i18 s GLU 85 CO 0.02 0.23 0.98 0.50 -0.54 0.00 0.00 175.26 176.46 1i18 s ARG 86 N -0.65 4.27 0.04 4.30 3.52 -1.26 -1.79 118.95 127.38 1i18 s ARG 86 Ca 0.03 1.26 0.08 0.00 -0.13 0.00 0.00 55.73 56.97 1i18 s ARG 86 Cb -0.06 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 1i18 s ARG 86 CO 0.00 -0.54 -0.22 0.00 -0.81 0.00 0.00 175.30 173.73 1i18 s ALA 87 N 2.88 2.42 0.01 6.12 0.00 0.71 -4.96 121.76 128.94 1i18 s ALA 87 Ca 0.43 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1i18 s ALA 87 Cb -0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1i18 s ALA 87 CO 0.08 0.55 -0.18 0.00 0.00 0.00 0.00 175.76 176.21 1i18 s ALA 88 N -0.85 1.53 0.28 0.00 0.00 -1.26 -2.71 121.76 118.73 1i18 s ALA 88 Ca 0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1i18 s ALA 88 Cb -0.10 -0.34 0.36 0.00 0.00 0.00 0.00 23.12 23.03 1i18 s ALA 88 CO 0.03 0.36 1.93 0.87 0.00 0.00 0.00 175.76 178.95 1i18 h LYS 89 N 5.36 1.16 -5.01 0.00 1.79 -1.97 -3.44 116.57 114.45 1i18 h LYS 89 Ca -0.39 -0.09 -0.32 0.00 -2.18 0.00 0.00 60.65 57.67 1i18 h LYS 89 Cb 1.16 -0.25 -0.17 0.00 -1.58 0.00 0.00 32.23 31.39 1i18 h LYS 89 CO 0.46 0.79 -0.73 -0.59 -1.08 0.00 0.00 179.45 178.31 1i18 s PHE 90 N -5.91 1.15 0.45 -1.35 -0.71 -1.26 -5.15 117.98 105.20 1i18 s PHE 90 Ca -0.12 -0.70 -0.09 0.00 -1.04 0.00 0.00 56.93 54.98 1i18 s PHE 90 Cb 0.18 -0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 41.32 1i18 s PHE 90 CO 0.81 0.03 0.80 -1.54 -1.34 0.00 0.00 175.22 173.98 1i18 s SER 91 N -2.73 6.41 -0.03 1.98 1.04 -1.26 -5.02 113.70 114.10 1i18 s SER 91 Ca 0.10 1.10 -0.21 0.00 0.48 0.00 0.00 55.95 57.42 1i18 s SER 91 Cb -0.01 -2.32 -0.14 0.00 0.10 0.00 0.00 66.02 63.66 1i18 s SER 91 CO 0.00 -0.51 0.90 0.44 0.98 0.00 0.00 173.24 175.06 1i18 h ASP 92 N 0.77 -0.32 -0.50 7.02 3.32 -2.01 -3.43 116.42 121.26 1i18 h ASP 92 Ca -0.47 -0.20 -0.30 0.00 0.02 0.00 0.00 57.03 56.08 1i18 h ASP 92 Cb 1.19 0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.61 1i18 h ASP 92 CO 0.63 0.15 -0.63 -0.62 -1.72 0.00 0.00 179.24 177.05 1i18 n GLU 93 N -5.05 1.01 -0.27 3.56 1.02 -1.26 -4.95 120.64 114.71 1i18 n GLU 93 Ca -0.08 -2.29 -0.07 0.00 -0.02 0.00 0.00 57.16 54.70 1i18 n GLU 93 Cb 0.26 -1.20 0.05 0.00 -0.02 0.00 0.00 31.44 30.53 1i18 n GLU 93 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1i18 h ILE 94 N 2.50 1.26 0.00 -3.67 1.08 -2.01 -3.46 117.51 113.20 1i18 h ILE 94 Ca -0.05 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1i18 h ILE 94 Cb 1.07 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1i18 h ILE 94 CO 0.22 0.37 0.00 0.61 -0.69 0.00 0.00 178.15 178.66 1i18 n GLY 95 N -0.72 2.96 7.00 5.37 0.00 -1.26 -5.01 105.19 113.54 1i18 n GLY 95 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1i18 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i18 n GLY 96 N 0.00 0.13 0.00 -0.02 0.00 -1.26 -5.29 105.19 98.75 1i18 n GLY 96 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1i18 n GLY 96 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93