#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 -0.33 0.00 2.03 -0.12 -1.26 -5.07 117.98 113.23 1i18 s PHE 2 Ca 0.00 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 57.60 1i18 s PHE 2 Cb 0.00 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1i18 s PHE 2 CO 0.00 -0.21 0.00 0.25 -0.05 0.00 0.00 175.22 175.21 1i18 n THR 3 N 1.50 0.00 -1.95 -4.49 -2.24 -1.26 -4.98 114.28 100.86 1i18 n THR 3 Ca -0.10 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1i18 n THR 3 Cb 0.57 0.00 -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 1.11 -0.06 3.67 3.38 0.00 -1.26 -4.81 105.19 107.23 1i18 n GLY 4 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 4.39 0.11 -0.61 -1.09 -1.26 -4.84 121.20 115.90 1i18 s ILE 5 Ca 0.00 1.69 -0.23 0.00 -2.23 0.00 0.00 60.65 59.88 1i18 s ILE 5 Cb 0.00 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.72 1i18 s ILE 5 CO 0.00 -0.07 0.70 -0.69 -1.23 0.00 0.00 174.94 173.65 1i18 s VAL 6 N 2.75 4.56 0.23 2.92 1.01 -1.26 -4.97 120.40 125.65 1i18 s VAL 6 Ca 0.53 1.51 0.01 0.00 0.00 0.00 0.00 61.98 64.02 1i18 s VAL 6 Cb -0.21 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1i18 s VAL 6 CO 0.17 0.51 1.60 1.56 0.00 0.00 0.00 175.10 178.93 1i18 h GLN 7 N 4.63 0.46 -3.16 2.72 1.08 -1.94 -3.48 115.11 115.41 1i18 h GLN 7 Ca -0.47 -0.25 -0.06 0.00 -1.45 0.00 0.00 58.65 56.42 1i18 h GLN 7 Cb 1.21 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1i18 h GLN 7 CO 0.66 0.82 0.21 0.20 -0.95 0.00 0.00 178.83 179.77 1i18 s GLY 8 N -4.13 0.55 0.41 3.46 0.00 -1.05 -5.00 107.32 101.56 1i18 s GLY 8 Ca -0.06 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 43.85 1i18 s GLY 8 CO 0.81 -0.42 0.05 -0.51 0.00 0.00 0.00 173.10 173.03 1i18 s THR 9 N -2.34 2.07 0.04 0.90 -4.23 -1.26 0.15 115.64 110.97 1i18 s THR 9 Ca 0.18 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1i18 s THR 9 Cb -0.04 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1i18 s THR 9 CO 0.13 -0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.14 1i18 s ALA 10 N -2.68 0.51 -0.25 3.99 0.00 0.14 -4.15 121.76 119.31 1i18 s ALA 10 Ca 0.36 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1i18 s ALA 10 Cb 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 1i18 s ALA 10 CO 0.19 -0.04 0.01 0.21 0.00 0.00 0.00 175.76 176.13 1i18 s LYS 11 N -1.52 3.26 0.15 0.00 2.20 -0.88 0.86 119.74 123.81 1i18 s LYS 11 Ca -0.10 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.47 1i18 s LYS 11 Cb -0.10 -3.15 -0.11 0.00 -1.51 0.00 0.00 37.83 32.96 1i18 s LYS 11 CO 0.00 -0.29 1.82 -1.17 -0.36 0.00 0.00 175.35 175.35 1i18 s LEU 12 N 1.48 4.40 0.00 5.43 2.96 0.87 0.13 118.68 133.95 1i18 s LEU 12 Ca 0.04 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 1i18 s LEU 12 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1i18 s LEU 12 CO -0.01 -1.01 0.00 0.55 -1.32 0.00 0.00 176.35 174.56 1i18 n VAL 13 N 4.58 0.00 -3.83 1.68 3.14 -0.83 -0.95 118.33 122.12 1i18 n VAL 13 Ca 0.17 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.43 1i18 n VAL 13 Cb 0.37 -0.65 -0.11 0.00 -1.06 0.00 0.00 33.84 32.39 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 -2.64 -0.13 -0.13 6.55 0.15 -1.12 -4.83 113.70 111.55 1i18 s SER 14 Ca 0.00 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.81 1i18 s SER 14 Cb 0.00 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1i18 s SER 14 CO 0.00 -0.16 0.01 -0.63 1.20 0.00 0.00 173.24 173.65 1i18 s ILE 15 N -0.37 4.32 -0.29 6.45 1.01 -1.26 -0.57 121.20 130.49 1i18 s ILE 15 Ca -0.05 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1i18 s ILE 15 Cb -0.03 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1i18 s ILE 15 CO 0.01 0.54 0.09 -1.81 0.00 0.00 0.00 174.94 173.77 1i18 s ASP 16 N -0.27 5.16 -0.34 3.58 1.01 0.10 -4.95 116.67 120.97 1i18 s ASP 16 Ca 0.06 -0.60 -0.08 0.00 0.71 0.00 0.00 52.55 52.64 1i18 s ASP 16 Cb -0.12 -1.90 0.02 0.00 1.01 0.00 0.00 42.92 41.93 1i18 s ASP 16 CO 0.02 -0.17 0.14 -0.70 0.21 0.00 0.00 175.17 174.67 1i18 s GLU 17 N 1.53 2.88 -0.14 8.23 2.12 -1.26 0.95 118.70 133.01 1i18 s GLU 17 Ca 0.04 -1.02 -0.03 0.00 0.36 0.00 0.00 54.97 54.32 1i18 s GLU 17 Cb -0.17 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1i18 s GLU 17 CO 0.03 -0.59 -0.04 0.15 -0.54 0.00 0.00 175.26 174.27 1i18 s LYS 18 N 1.50 3.56 0.63 4.30 1.02 0.22 -4.97 119.74 126.00 1i18 s LYS 18 Ca 0.01 -0.52 0.27 0.00 0.02 0.00 0.00 55.97 55.75 1i18 s LYS 18 Cb -0.19 -2.88 1.40 0.00 -0.52 0.00 0.00 37.83 35.64 1i18 s LYS 18 CO 0.04 0.30 1.80 -1.00 -0.92 0.00 0.00 175.35 175.58 1i18 h PRO 19 N 6.50 0.00 0.03 -1.68 0.13 -2.02 0.24 132.00 135.21 1i18 h PRO 19 Ca -0.33 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.46 1i18 h PRO 19 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1i18 h PRO 19 CO 0.62 0.00 -1.97 0.09 -0.23 0.00 0.00 178.00 176.50 1i18 n ASN 20 N -3.24 1.17 -3.79 1.44 3.02 -1.26 -4.98 115.26 107.61 1i18 n ASN 20 Ca 0.04 0.24 -0.13 0.00 -0.03 0.00 0.00 54.58 54.70 1i18 n ASN 20 Cb 0.62 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 1i18 n ASN 20 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1i18 s PHE 21 N -2.56 -0.11 0.02 3.10 0.08 0.86 -4.90 117.98 114.46 1i18 s PHE 21 Ca -0.13 0.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 1i18 s PHE 21 Cb 0.07 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.53 1i18 s PHE 21 CO 0.79 -0.37 0.33 0.50 -0.10 0.00 0.00 175.22 176.37 1i18 s ARG 22 N -1.39 3.69 0.03 0.44 3.52 -0.59 -0.61 118.95 124.04 1i18 s ARG 22 Ca -0.14 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1i18 s ARG 22 Cb -0.06 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1i18 s ARG 22 CO 0.03 0.64 -0.11 0.99 -0.81 0.00 0.00 175.30 176.04 1i18 s THR 23 N -1.27 0.84 -0.03 4.11 2.01 0.27 0.09 115.64 121.66 1i18 s THR 23 Ca 0.28 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1i18 s THR 23 Cb -0.14 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.59 1i18 s THR 23 CO 0.15 -0.07 -0.06 -1.00 -0.69 0.00 0.00 174.62 172.96 1i18 s HIS 24 N -0.84 0.73 -0.11 4.92 3.76 -0.17 0.02 115.29 123.60 1i18 s HIS 24 Ca -0.01 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1i18 s HIS 24 Cb -0.07 -0.57 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 1i18 s HIS 24 CO 0.01 -0.12 -0.12 0.08 -0.85 0.00 0.00 174.74 173.74 1i18 s VAL 25 N 0.44 3.14 0.42 -0.90 1.01 0.26 0.12 120.40 124.90 1i18 s VAL 25 Ca -0.06 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1i18 s VAL 25 Cb -0.10 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 1i18 s VAL 25 CO 0.00 0.54 0.04 0.68 0.00 0.00 0.00 175.10 176.37 1i18 s VAL 26 N 0.05 1.97 -0.32 2.92 -7.23 -0.44 -1.97 120.40 115.37 1i18 s VAL 26 Ca -0.04 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 1i18 s VAL 26 Cb -0.14 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1i18 s VAL 26 CO 0.04 0.00 0.23 -0.70 -0.31 0.00 0.00 175.10 174.36 1i18 s GLU 27 N -3.77 3.62 -0.28 4.82 2.12 0.34 -0.60 118.70 124.95 1i18 s GLU 27 Ca 0.33 -0.56 -0.24 0.00 0.36 0.00 0.00 54.97 54.87 1i18 s GLU 27 Cb 0.08 -3.76 -0.00 0.00 0.26 0.00 0.00 34.13 30.70 1i18 s GLU 27 CO 0.17 -0.37 0.79 -1.17 -0.54 0.00 0.00 175.26 174.15 1i18 s LEU 28 N 1.73 4.08 1.17 2.70 1.98 -0.56 -2.07 118.68 127.71 1i18 s LEU 28 Ca 0.06 0.82 -0.14 0.00 -2.89 0.00 0.00 54.13 51.98 1i18 s LEU 28 Cb -0.17 -3.11 0.28 0.00 0.66 0.00 0.00 46.19 43.85 1i18 s LEU 28 CO 0.11 -0.56 1.03 -2.16 -1.89 0.00 0.00 176.35 172.88 1i18 s PRO 29 N 2.89 -0.93 0.34 0.98 0.04 -1.26 -4.47 135.00 132.59 1i18 s PRO 29 Ca 0.33 0.66 0.03 0.00 0.04 0.00 0.00 61.00 62.05 1i18 s PRO 29 Cb -0.15 -1.57 0.62 0.00 0.04 0.00 0.00 34.50 33.44 1i18 s PRO 29 CO 0.10 -3.68 1.96 0.38 0.04 0.00 0.00 177.00 175.80 1i18 h ASP 30 N -2.58 0.67 0.01 6.66 2.03 -1.96 0.33 116.42 121.58 1i18 h ASP 30 Ca -0.59 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.65 1i18 h ASP 30 Cb 1.34 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1i18 h ASP 30 CO 0.50 0.55 -0.03 0.00 -1.03 0.00 0.00 179.24 179.24 1i18 n HIS 31 N -4.39 0.00 0.15 4.15 1.44 -1.26 -3.48 115.22 111.83 1i18 n HIS 31 Ca 0.05 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.77 1i18 n HIS 31 Cb 0.11 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.18 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 0.17 5.17 -0.14 -1.40 2.81 -0.99 -4.54 117.12 118.21 1i18 n MET 32 Ca 0.18 -0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 56.01 1i18 n MET 32 Cb 0.37 -0.71 0.11 0.00 -0.71 0.00 0.00 33.22 32.28 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 0.85 -9.62 4.03 3.38 -0.38 -3.38 115.31 110.20 1i18 h LEU 33 Ca 0.00 -0.22 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 1i18 h LEU 33 Cb 0.09 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 40.64 1i18 h LEU 33 CO 0.00 0.92 0.70 -1.81 0.09 0.00 0.00 178.44 178.34 1i18 s ASP 34 N -6.63 6.84 0.00 -0.43 1.01 -1.25 -3.41 116.67 112.81 1i18 s ASP 34 Ca -0.10 2.38 0.00 0.00 0.71 0.00 0.00 52.55 55.54 1i18 s ASP 34 Cb 0.14 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1i18 s ASP 34 CO 0.83 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 176.22 1i18 n GLY 35 N 2.91 2.50 3.77 0.21 0.00 -1.26 -5.02 105.19 108.30 1i18 n GLY 35 Ca 0.09 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 4.07 0.22 0.99 2.96 -1.22 -5.04 118.68 120.66 1i18 s LEU 36 Ca 0.00 2.37 -0.09 0.00 -0.22 0.00 0.00 54.13 56.19 1i18 s LEU 36 Cb 0.00 -4.15 -0.01 0.00 0.50 0.00 0.00 46.19 42.52 1i18 s LEU 36 CO 0.00 -0.87 0.35 -1.83 -1.32 0.00 0.00 176.35 172.68 1i18 s GLU 37 N -2.56 1.39 0.56 1.98 -1.05 -1.26 -5.04 118.70 112.72 1i18 s GLU 37 Ca 0.62 -1.33 -0.20 0.00 -0.15 0.00 0.00 54.97 53.90 1i18 s GLU 37 Cb -0.30 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 1i18 s GLU 37 CO 0.37 -0.54 1.24 0.95 0.95 0.00 0.00 175.26 178.24 1i18 s THR 38 N -4.04 2.53 0.00 1.83 -4.23 -1.26 -1.66 115.64 108.80 1i18 s THR 38 Ca 0.26 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 1i18 s THR 38 Cb 0.02 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1i18 s THR 38 CO 0.08 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1i18 n GLY 39 N 0.58 1.88 3.81 3.99 0.00 -0.14 -4.90 105.19 110.41 1i18 n GLY 39 Ca 0.12 0.00 -0.31 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 -3.46 2.66 -0.31 4.61 0.00 -0.67 -4.63 121.76 119.96 1i18 s ALA 40 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 1i18 s ALA 40 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1i18 s ALA 40 CO 0.00 -1.20 0.21 -1.54 0.00 0.00 0.00 175.76 173.23 1i18 s SER 41 N -3.60 5.98 -0.20 0.00 1.04 -1.13 -1.49 113.70 114.31 1i18 s SER 41 Ca 0.59 -0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1i18 s SER 41 Cb -0.15 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 1i18 s SER 41 CO 0.52 -0.15 0.04 -0.69 0.98 0.00 0.00 173.24 173.94 1i18 s VAL 42 N 1.73 4.38 -0.28 5.02 1.01 0.63 0.66 120.40 133.56 1i18 s VAL 42 Ca 0.06 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1i18 s VAL 42 Cb -0.17 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1i18 s VAL 42 CO 0.10 0.42 0.64 0.00 0.00 0.00 0.00 175.10 176.27 1i18 s ALA 43 N 0.83 3.57 -0.63 5.51 0.00 -0.35 -1.57 121.76 129.11 1i18 s ALA 43 Ca 0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 1i18 s ALA 43 Cb -0.14 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 19.97 1i18 s ALA 43 CO 0.02 -0.95 0.92 -1.01 0.00 0.00 0.00 175.76 174.74 1i18 s HIS 44 N 2.59 2.74 0.00 0.00 3.76 -0.44 -1.78 115.29 122.15 1i18 s HIS 44 Ca 0.26 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1i18 s HIS 44 Cb -0.15 -4.20 0.00 0.00 1.11 0.00 0.00 32.58 29.34 1i18 s HIS 44 CO 0.10 -1.55 0.00 -1.71 -0.85 0.00 0.00 174.74 170.73 1i18 n ASN 45 N 7.47 -5.17 0.00 1.40 2.85 0.87 -2.17 115.26 120.52 1i18 n ASN 45 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1i18 n ASN 45 Cb 0.45 -3.32 0.00 0.00 1.24 0.00 0.00 39.78 38.15 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 0.63 1.23 3.56 8.20 0.00 -1.24 -5.02 105.19 112.55 1i18 n GLY 46 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.39 2.47 0.16 0.00 2.34 -0.61 -4.92 118.68 122.52 1i18 s LEU 49 Ca 0.53 -1.06 0.04 0.00 0.06 0.00 0.00 54.13 53.70 1i18 s LEU 49 Cb -0.13 -0.41 -0.04 0.00 -0.56 0.00 0.00 46.19 45.06 1i18 s LEU 49 CO 0.25 -0.33 0.18 -0.89 -1.06 0.00 0.00 176.35 174.50 1i18 s THR 50 N -3.26 4.74 -0.38 5.48 2.01 -1.26 -0.27 115.64 122.71 1i18 s THR 50 Ca 0.20 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1i18 s THR 50 Cb 0.03 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.11 1i18 s THR 50 CO 0.04 -0.11 1.25 -0.69 -0.69 0.00 0.00 174.62 174.41 1i18 s VAL 51 N -1.76 4.16 0.14 3.82 1.01 -0.55 -2.15 120.40 125.08 1i18 s VAL 51 Ca 0.32 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1i18 s VAL 51 Cb -0.10 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1i18 s VAL 51 CO 0.25 -0.69 1.47 0.71 0.00 0.00 0.00 175.10 176.84 1i18 h THR 52 N 6.11 1.27 -2.52 3.92 1.35 -0.57 -0.34 112.91 122.12 1i18 h THR 52 Ca -0.25 -1.58 -0.05 0.00 -0.55 0.00 0.00 66.41 63.98 1i18 h THR 52 Cb 1.08 1.40 -0.16 0.00 -1.73 0.00 0.00 68.15 68.74 1i18 h THR 52 CO 1.07 0.53 0.13 -0.70 -0.25 0.00 0.00 175.52 176.30 1i18 s GLU 53 N -4.37 1.09 -0.15 4.72 2.12 -0.89 -4.82 118.70 116.41 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 0.51 -0.02 0.00 0.26 0.00 0.00 34.13 34.98 1i18 s GLU 53 CO 0.88 -0.39 -0.06 0.42 -0.54 0.00 0.00 175.26 175.57 1i18 s ILE 54 N -2.21 3.67 -0.97 -3.70 1.01 -1.26 0.69 121.20 118.44 1i18 s ILE 54 Ca -0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1i18 s ILE 54 Cb -0.01 -2.59 0.31 0.00 0.01 0.00 0.00 42.46 40.19 1i18 s ILE 54 CO 0.01 0.50 1.55 0.59 0.00 0.00 0.00 174.94 177.59 1i18 n ASN 55 N 3.51 6.51 0.00 3.58 3.02 0.14 -4.93 115.26 127.08 1i18 n ASN 55 Ca -0.18 -3.59 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1i18 n ASN 55 Cb 0.53 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 0.39 1.86 0.18 7.41 0.00 -1.26 -1.85 105.19 111.92 1i18 n GLY 56 Ca 0.38 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.30 1.61 -1.07 -1.93 -3.46 115.58 106.43 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 0.09 0.00 -2.07 0.00 0.00 38.32 36.34 1i18 h ASN 57 CO 0.00 0.25 0.37 -1.00 0.07 0.00 0.00 177.43 177.12 1i18 s HIS 58 N -3.09 3.06 -0.06 4.14 3.76 -0.77 -1.50 115.29 120.84 1i18 s HIS 58 Ca 0.05 1.45 -0.03 0.00 -0.15 0.00 0.00 55.06 56.39 1i18 s HIS 58 Cb 0.06 -2.92 0.04 0.00 1.11 0.00 0.00 32.58 30.87 1i18 s HIS 58 CO 0.71 -1.23 0.10 0.08 -0.85 0.00 0.00 174.74 173.55 1i18 s VAL 59 N -2.89 -0.17 -0.15 -0.90 1.01 0.23 0.23 120.40 117.76 1i18 s VAL 59 Ca 0.59 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 1i18 s VAL 59 Cb -0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1i18 s VAL 59 CO 0.51 0.15 0.64 -0.44 0.00 0.00 0.00 175.10 175.95 1i18 s SER 60 N 2.22 6.78 0.20 3.32 0.01 0.22 -1.33 113.70 125.12 1i18 s SER 60 Ca 0.04 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.32 1i18 s SER 60 Cb -0.12 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1i18 s SER 60 CO -0.04 -0.20 0.04 -0.36 0.41 0.00 0.00 173.24 173.10 1i18 s PHE 61 N 1.43 2.89 0.22 2.43 0.08 0.33 0.16 117.98 125.52 1i18 s PHE 61 Ca 0.31 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.10 1i18 s PHE 61 Cb -0.16 -1.36 -0.07 0.00 -0.57 0.00 0.00 43.02 40.85 1i18 s PHE 61 CO 0.12 0.54 0.58 0.16 -0.10 0.00 0.00 175.22 176.52 1i18 s ASP 62 N -3.24 6.72 -0.25 1.36 -4.77 -0.91 -0.99 116.67 114.58 1i18 s ASP 62 Ca 0.29 1.04 -0.06 0.00 -3.30 0.00 0.00 52.55 50.52 1i18 s ASP 62 Cb -0.09 -2.27 0.13 0.00 -1.09 0.00 0.00 42.92 39.60 1i18 s ASP 62 CO 0.20 -0.03 0.51 -0.76 0.70 0.00 0.00 175.17 175.79 1i18 s LEU 63 N -2.54 -0.91 0.35 2.11 1.43 0.11 -4.57 118.68 114.66 1i18 s LEU 63 Ca 0.45 1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 54.28 1i18 s LEU 63 Cb -0.12 1.72 -0.09 0.00 0.03 0.00 0.00 46.19 47.72 1i18 s LEU 63 CO 0.20 -0.24 1.20 -0.04 0.23 0.00 0.00 176.35 177.70 1i18 s MET 64 N 2.72 4.29 0.17 1.70 -1.94 -1.26 -1.54 119.30 123.43 1i18 s MET 64 Ca 0.03 1.97 -0.15 0.00 -1.71 0.00 0.00 55.69 55.84 1i18 s MET 64 Cb -0.13 -2.93 0.05 0.00 2.01 0.00 0.00 34.83 33.83 1i18 s MET 64 CO -0.16 -0.16 1.83 -0.22 -0.01 0.00 0.00 175.02 176.30 1i18 h LYS 65 N 3.16 0.64 -0.41 2.03 3.64 -1.90 0.89 116.57 124.62 1i18 h LYS 65 Ca -0.48 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 58.70 1i18 h LYS 65 Cb 1.23 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1i18 h LYS 65 CO 0.64 0.43 -0.35 1.49 -2.27 0.00 0.00 179.45 179.39 1i18 h GLU 66 N 0.66 0.96 -0.85 1.90 4.81 -1.99 -0.74 114.58 119.34 1i18 h GLU 66 Ca 0.18 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1i18 h GLU 66 Cb -0.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1i18 h GLU 66 CO -0.04 1.15 0.45 1.15 -0.73 0.00 0.00 179.01 180.99 1i18 h THR 67 N 0.79 1.25 -0.65 0.32 2.02 -1.83 0.61 112.91 115.43 1i18 h THR 67 Ca 0.07 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1i18 h THR 67 Cb 0.94 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1i18 h THR 67 CO 0.09 0.28 0.42 0.25 0.37 0.00 0.00 175.52 176.94 1i18 h LEU 68 N 1.19 0.74 -0.39 2.58 5.85 0.12 0.48 115.31 125.89 1i18 h LEU 68 Ca 0.30 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 1i18 h LEU 68 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1i18 h LEU 68 CO -0.05 0.54 -0.40 0.03 -0.34 0.00 0.00 178.44 178.23 1i18 h ARG 69 N 0.88 0.94 -0.32 1.25 3.08 -0.35 -2.24 114.38 117.62 1i18 h ARG 69 Ca 0.24 -0.50 -0.14 0.00 0.07 0.00 0.00 59.98 59.65 1i18 h ARG 69 Cb -0.09 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1i18 h ARG 69 CO -0.05 1.16 -0.34 0.97 -1.07 0.00 0.00 179.97 180.64 1i18 h ILE 70 N 0.77 1.29 -3.16 2.04 2.10 0.84 -3.44 117.51 117.95 1i18 h ILE 70 Ca 0.06 -1.51 -0.18 0.00 1.08 0.00 0.00 64.86 64.31 1i18 h ILE 70 Cb 0.99 1.53 0.06 0.00 -1.09 0.00 0.00 36.82 38.31 1i18 h ILE 70 CO 0.10 0.49 0.13 0.35 -1.08 0.00 0.00 178.15 178.14 1i18 n THR 71 N -4.18 0.00 -1.00 2.19 -2.24 0.16 -4.96 114.28 104.25 1i18 n THR 71 Ca -0.03 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.27 1i18 n THR 71 Cb 0.51 -1.62 0.34 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.24 5.14 -0.12 3.42 5.15 -1.26 -4.30 115.26 120.06 1i18 n ASN 72 Ca 0.07 -3.12 -0.13 0.00 -0.60 0.00 0.00 54.58 50.79 1i18 n ASN 72 Cb 0.23 -0.72 -0.03 0.00 -0.53 0.00 0.00 39.78 38.74 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 3.13 0.99 -1.97 1.20 3.38 -1.85 -3.07 115.31 117.11 1i18 h LEU 73 Ca 0.16 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1i18 h LEU 73 Cb 2.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1i18 h LEU 73 CO 0.64 1.26 0.42 1.23 0.09 0.00 0.00 178.44 182.07 1i18 h GLY 74 N 0.74 0.00 2.00 0.83 0.00 -1.59 -0.90 103.07 104.15 1i18 h GLY 74 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1i18 h GLY 74 CO 0.10 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.93 1i18 h ASP 75 N 0.00 0.00 -3.95 0.19 2.03 -1.82 -3.44 116.42 109.42 1i18 h ASP 75 Ca 0.14 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.90 1i18 h ASP 75 Cb 0.97 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.59 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 -6.06 4.29 -0.00 0.15 1.43 -0.35 -5.02 118.68 113.12 1i18 s LEU 76 Ca -0.02 3.07 -0.01 0.00 -1.03 0.00 0.00 54.13 56.14 1i18 s LEU 76 Cb 0.11 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 1i18 s LEU 76 CO 0.46 -0.93 0.02 -0.54 0.23 0.00 0.00 176.35 175.60 1i18 s LYS 77 N -2.15 0.16 0.70 1.70 1.02 -1.26 -5.11 119.74 114.80 1i18 s LYS 77 Ca 0.54 -0.21 -0.16 0.00 0.02 0.00 0.00 55.97 56.16 1i18 s LYS 77 Cb -0.47 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1i18 s LYS 77 CO 0.63 -0.03 1.22 0.28 -0.92 0.00 0.00 175.35 176.53 1i18 n VAL 78 N 2.45 3.86 0.00 3.17 0.31 -1.26 -1.84 118.33 125.02 1i18 n VAL 78 Ca -0.17 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1i18 n VAL 78 Cb 0.58 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1i18 n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i18 n GLY 79 N 0.86 2.56 3.95 2.92 0.00 -0.12 -4.98 105.19 110.37 1i18 n GLY 79 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.87 5.83 0.39 1.61 -1.08 -0.76 -4.84 116.67 115.94 1i18 s ASP 80 Ca 0.00 0.27 0.08 0.00 -0.52 0.00 0.00 52.55 52.38 1i18 s ASP 80 Cb 0.00 -1.51 -0.06 0.00 -1.46 0.00 0.00 42.92 39.89 1i18 s ASP 80 CO 0.00 -0.70 0.10 0.26 0.52 0.00 0.00 175.17 175.35 1i18 s TRP 81 N -2.55 2.58 0.11 -5.34 0.52 -1.26 -0.09 118.94 112.91 1i18 s TRP 81 Ca 0.48 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 56.10 1i18 s TRP 81 Cb -0.10 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1i18 s TRP 81 CO 0.38 0.33 -0.11 0.54 0.02 0.00 0.00 176.95 178.10 1i18 s VAL 82 N -2.58 1.06 -0.48 4.03 0.11 0.25 -4.89 120.40 117.90 1i18 s VAL 82 Ca 0.38 -1.70 -0.29 0.00 -2.93 0.00 0.00 61.98 57.45 1i18 s VAL 82 Cb 0.03 -1.45 0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1i18 s VAL 82 CO 0.21 -0.54 1.12 0.20 -3.33 0.00 0.00 175.10 172.76 1i18 s ASN 83 N -2.51 6.61 -0.08 3.54 -0.87 -1.26 0.27 114.94 120.63 1i18 s ASN 83 Ca 0.07 0.41 -0.00 0.00 -1.57 0.00 0.00 52.86 51.77 1i18 s ASN 83 Cb -0.03 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 1i18 s ASN 83 CO 0.01 -1.25 -0.05 0.68 -2.57 0.00 0.00 177.10 173.92 1i18 s VAL 84 N 4.41 3.81 -0.01 1.60 -7.23 0.12 0.30 120.40 123.41 1i18 s VAL 84 Ca 0.47 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.22 1i18 s VAL 84 Cb -0.07 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1i18 s VAL 84 CO 0.31 0.59 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.95 1i18 s GLU 85 N -0.66 0.33 0.30 4.82 2.12 -0.73 -2.53 118.70 122.34 1i18 s GLU 85 Ca 0.10 -0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.04 1i18 s GLU 85 Cb -0.11 -0.34 -0.09 0.00 0.26 0.00 0.00 34.13 33.84 1i18 s GLU 85 CO 0.02 0.05 0.98 1.03 -0.54 0.00 0.00 175.26 176.80 1i18 s ARG 86 N 0.07 4.63 0.04 4.30 0.52 -1.26 -1.21 118.95 126.04 1i18 s ARG 86 Ca -0.00 1.49 0.03 0.00 -0.52 0.00 0.00 55.73 56.73 1i18 s ARG 86 Cb -0.03 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1i18 s ARG 86 CO -0.00 0.30 -0.09 0.00 0.02 0.00 0.00 175.30 175.52 1i18 s ALA 87 N -1.39 0.72 0.03 2.13 0.00 0.21 -4.88 121.76 118.58 1i18 s ALA 87 Ca 0.47 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1i18 s ALA 87 Cb -0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1i18 s ALA 87 CO 0.30 0.06 -0.07 0.00 0.00 0.00 0.00 175.76 176.05 1i18 s ALA 88 N -1.12 0.52 0.30 0.00 0.00 -1.26 -2.82 121.76 117.38 1i18 s ALA 88 Ca -0.06 -0.66 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1i18 s ALA 88 Cb -0.09 0.03 0.46 0.00 0.00 0.00 0.00 23.12 23.52 1i18 s ALA 88 CO 0.01 -0.01 1.69 1.57 0.00 0.00 0.00 175.76 179.01 1i18 h LYS 89 N 4.76 0.11 -4.05 0.00 2.10 -1.99 -3.45 116.57 114.05 1i18 h LYS 89 Ca -0.34 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 58.14 1i18 h LYS 89 Cb 1.20 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.39 1i18 h LYS 89 CO 0.42 0.58 -0.54 -0.59 -2.00 0.00 0.00 179.45 177.32 1i18 s PHE 90 N -3.94 0.36 -0.03 0.07 -0.12 -1.26 -5.17 117.98 107.88 1i18 s PHE 90 Ca -0.03 -0.85 -0.22 0.00 -0.05 0.00 0.00 56.93 55.77 1i18 s PHE 90 Cb 0.13 -0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.32 1i18 s PHE 90 CO 0.76 -0.45 0.48 0.45 -0.05 0.00 0.00 175.22 176.41 1i18 s SER 91 N -2.89 -0.41 0.16 1.98 0.15 -1.26 -5.04 113.70 106.39 1i18 s SER 91 Ca 0.06 0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.98 1i18 s SER 91 Cb 0.07 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1i18 s SER 91 CO -0.10 -0.53 1.54 0.44 1.20 0.00 0.00 173.24 175.79 1i18 h ASP 92 N 3.46 1.03 -1.90 5.45 3.32 -2.03 -3.29 116.42 122.46 1i18 h ASP 92 Ca -0.28 -0.40 -0.73 0.00 0.02 0.00 0.00 57.03 55.64 1i18 h ASP 92 Cb 1.16 -0.29 -0.30 0.00 0.22 0.00 0.00 39.33 40.12 1i18 h ASP 92 CO 0.40 1.20 0.67 -0.62 -1.72 0.00 0.00 179.24 179.17 1i18 n GLU 93 N -4.11 2.94 -0.38 3.56 1.02 -1.26 -4.68 120.64 117.73 1i18 n GLU 93 Ca -0.00 -3.76 -0.02 0.00 -0.02 0.00 0.00 57.16 53.36 1i18 n GLU 93 Cb 0.47 -2.27 0.11 0.00 -0.02 0.00 0.00 31.44 29.73 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 2.13 1.26 0.00 -3.67 1.08 -1.99 -3.46 117.51 112.86 1i18 h ILE 94 Ca 0.51 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1i18 h ILE 94 Cb 0.22 -0.22 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1i18 h ILE 94 CO 1.31 0.25 0.00 0.61 -0.69 0.00 0.00 178.15 179.62 1i18 n GLY 95 N -1.38 3.14 7.00 5.37 0.00 -1.26 -5.04 105.19 113.02 1i18 n GLY 95 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.75 3.06 -0.02 0.00 -1.26 -5.28 105.19 103.44 1i18 n GLY 96 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1i18 n GLY 96 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74