#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt9 s GLN 2 N 0.00 2.85 -0.29 0.54 0.74 -1.26 -5.10 119.66 117.13 1mt9 s GLN 2 Ca 0.00 -0.94 -0.11 0.00 0.05 0.00 0.00 55.36 54.36 1mt9 s GLN 2 Cb 0.00 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 1mt9 s GLN 2 CO 0.00 -0.30 0.19 0.42 -0.55 0.00 0.00 175.29 175.05 1mt9 s ILE 3 N 1.26 5.24 0.66 -2.34 -1.09 -1.26 -5.09 121.20 118.60 1mt9 s ILE 3 Ca 0.02 0.07 -0.09 0.00 -2.23 0.00 0.00 60.65 58.41 1mt9 s ILE 3 Cb -0.15 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1mt9 s ILE 3 CO -0.10 0.20 1.03 0.42 -1.23 0.00 0.00 174.94 175.26 1mt9 s THR 4 N 1.74 3.56 -0.22 2.92 -4.23 -1.26 -5.01 115.64 113.15 1mt9 s THR 4 Ca 0.07 0.32 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 1mt9 s THR 4 Cb -0.16 -3.47 0.54 0.00 1.34 0.00 0.00 72.50 70.74 1mt9 s THR 4 CO 0.10 -0.58 1.46 0.18 -0.54 0.00 0.00 174.62 175.25 1mt9 n LEU 5 N -2.85 4.10 0.15 4.79 4.77 -1.26 -4.56 117.00 122.14 1mt9 n LEU 5 Ca 0.06 -3.20 0.04 0.00 -0.03 0.00 0.00 56.01 52.88 1mt9 n LEU 5 Cb 0.57 -0.58 0.46 0.00 -2.33 0.00 0.00 43.42 41.54 1mt9 n LEU 5 CO 0.56 0.81 0.95 -0.50 -1.33 0.00 0.00 177.39 177.89 1mt9 h TRP 6 N 1.66 0.19 -2.83 -1.77 4.06 -2.06 -3.43 115.95 111.76 1mt9 h TRP 6 Ca 0.07 -0.01 -0.47 0.00 2.06 0.00 0.00 58.89 60.54 1mt9 h TRP 6 Cb 1.56 -0.06 -0.14 0.00 -1.00 0.00 0.00 29.16 29.53 1mt9 h TRP 6 CO 0.67 0.26 -0.63 0.15 -3.56 0.00 0.00 178.44 175.33 1mt9 s LYS 7 N -4.86 1.59 0.26 0.49 1.02 -1.26 -5.10 119.74 111.88 1mt9 s LYS 7 Ca -0.05 -1.85 -0.31 0.00 0.02 0.00 0.00 55.97 53.77 1mt9 s LYS 7 Cb 0.16 -0.92 -0.12 0.00 -0.52 0.00 0.00 37.83 36.43 1mt9 s LYS 7 CO 0.71 -0.12 1.61 0.54 -0.92 0.00 0.00 175.35 177.17 1mt9 n ARG 8 N -0.63 2.61 -2.38 1.68 1.74 -1.26 -4.85 116.66 113.57 1mt9 n ARG 8 Ca -0.03 0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 57.61 1mt9 n ARG 8 Cb 0.65 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.35 1mt9 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mt9 s PRO 9 N 0.01 3.39 -0.04 5.56 0.04 -1.26 -4.95 135.00 137.74 1mt9 s PRO 9 Ca 0.68 -1.60 -0.14 0.00 0.04 0.00 0.00 61.00 59.98 1mt9 s PRO 9 Cb -0.53 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 28.55 1mt9 s PRO 9 CO 0.44 -2.91 0.36 -0.51 0.04 0.00 0.00 177.00 174.42 1mt9 s LEU 10 N 6.89 4.42 0.07 -3.56 1.43 -1.26 -1.08 118.68 125.60 1mt9 s LEU 10 Ca 0.59 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1mt9 s LEU 10 Cb 0.02 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1mt9 s LEU 10 CO 0.09 0.28 0.02 0.68 0.23 0.00 0.00 176.35 177.65 1mt9 s VAL 11 N -0.75 0.18 0.09 -1.59 -7.23 0.04 -4.94 120.40 106.21 1mt9 s VAL 11 Ca 0.22 -1.75 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 1mt9 s VAL 11 Cb -0.15 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 35.10 1mt9 s VAL 11 CO 0.11 -0.84 0.65 -0.89 -0.31 0.00 0.00 175.10 173.82 1mt9 s THR 12 N -3.94 4.64 0.10 5.32 2.01 -1.26 -0.17 115.64 122.34 1mt9 s THR 12 Ca 0.10 1.39 0.04 0.00 0.31 0.00 0.00 61.69 63.54 1mt9 s THR 12 Cb 0.07 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1mt9 s THR 12 CO -0.08 0.52 -0.10 0.27 -0.69 0.00 0.00 174.62 174.54 1mt9 s ILE 13 N -0.95 0.97 -0.15 1.82 -5.25 0.92 -2.53 121.20 116.03 1mt9 s ILE 13 Ca 0.32 -1.70 0.01 0.00 -0.99 0.00 0.00 60.65 58.29 1mt9 s ILE 13 Cb -0.21 -1.43 0.01 0.00 2.95 0.00 0.00 42.46 43.78 1mt9 s ILE 13 CO 0.21 -0.58 -0.18 -0.13 -1.79 0.00 0.00 174.94 172.47 1mt9 s ARG 14 N -2.93 3.11 -0.11 0.37 3.00 0.35 -0.96 118.95 121.79 1mt9 s ARG 14 Ca 0.07 -0.80 -0.06 0.00 0.00 0.00 0.00 55.73 54.94 1mt9 s ARG 14 Cb -0.02 -2.55 0.04 0.00 0.00 0.00 0.00 34.95 32.42 1mt9 s ARG 14 CO 0.00 -0.03 0.25 -1.50 0.00 0.00 0.00 175.30 174.02 1mt9 s ILE 15 N 0.90 -0.03 -1.55 1.52 -1.16 0.03 -1.43 121.20 119.48 1mt9 s ILE 15 Ca -0.04 0.11 -0.12 0.00 -0.51 0.00 0.00 60.65 60.09 1mt9 s ILE 15 Cb -0.15 -0.39 0.09 0.00 0.61 0.00 0.00 42.46 42.62 1mt9 s ILE 15 CO -0.03 0.05 0.82 0.61 -2.81 0.00 0.00 174.94 173.58 1mt9 n GLY 16 N 3.95 -0.42 2.23 1.50 0.00 -1.26 -1.09 105.19 110.10 1mt9 n GLY 16 Ca -0.22 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1mt9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt9 n GLY 17 N -1.63 0.80 3.15 -0.02 0.00 -1.26 -5.02 105.19 101.21 1mt9 n GLY 17 Ca -0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1mt9 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mt9 s GLN 18 N -3.17 0.76 -0.14 1.61 -0.21 -0.25 -5.14 119.66 113.12 1mt9 s GLN 18 Ca 0.00 -1.08 -0.03 0.00 0.02 0.00 0.00 55.36 54.28 1mt9 s GLN 18 Cb 0.00 -0.43 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 1mt9 s GLN 18 CO 0.00 0.06 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.66 1mt9 s LEU 19 N -2.29 3.14 0.05 2.90 1.43 -1.26 -0.79 118.68 121.87 1mt9 s LEU 19 Ca 0.02 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1mt9 s LEU 19 Cb -0.04 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1mt9 s LEU 19 CO -0.01 0.19 0.03 -0.54 0.23 0.00 0.00 176.35 176.26 1mt9 s LYS 20 N 0.23 0.63 -0.18 1.70 1.02 -0.13 -4.96 119.74 118.06 1mt9 s LYS 20 Ca -0.04 -1.06 -0.16 0.00 0.02 0.00 0.00 55.97 54.74 1mt9 s LYS 20 Cb -0.14 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1mt9 s LYS 20 CO 0.03 -0.14 0.40 -1.21 -0.92 0.00 0.00 175.35 173.51 1mt9 s GLU 21 N -3.54 4.22 0.07 1.68 0.41 -1.26 -0.06 118.70 120.23 1mt9 s GLU 21 Ca 0.03 0.23 0.05 0.00 -0.41 0.00 0.00 54.97 54.87 1mt9 s GLU 21 Cb 0.05 -3.50 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 1mt9 s GLU 21 CO -0.09 0.04 -0.14 0.00 -0.49 0.00 0.00 175.26 174.58 1mt9 s ALA 22 N 1.05 1.21 -0.16 5.21 0.00 0.75 -4.56 121.76 125.26 1mt9 s ALA 22 Ca 0.20 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 1mt9 s ALA 22 Cb -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1mt9 s ALA 22 CO 0.08 0.17 0.51 -1.17 0.00 0.00 0.00 175.76 175.35 1mt9 s LEU 23 N -1.78 4.21 -0.37 0.00 2.96 -0.35 -0.78 118.68 122.58 1mt9 s LEU 23 Ca -0.01 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 54.38 1mt9 s LEU 23 Cb -0.10 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.88 1mt9 s LEU 23 CO 0.02 -0.10 1.26 -0.76 -1.32 0.00 0.00 176.35 175.45 1mt9 s LEU 24 N 1.16 3.77 -0.36 -0.68 1.02 -0.24 -1.10 118.68 122.24 1mt9 s LEU 24 Ca 0.26 0.93 0.03 0.00 0.02 0.00 0.00 54.13 55.37 1mt9 s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.02 0.00 0.00 46.19 42.62 1mt9 s LEU 24 CO 0.10 -1.17 0.09 0.21 0.02 0.00 0.00 176.35 175.60 1mt9 s ASN 25 N 2.81 4.58 0.00 2.29 3.04 -0.60 -4.78 114.94 122.28 1mt9 s ASN 25 Ca 0.54 -2.22 0.16 0.00 0.04 0.00 0.00 52.86 51.38 1mt9 s ASN 25 Cb -0.13 -1.52 0.68 0.00 -1.54 0.00 0.00 41.25 38.74 1mt9 s ASN 25 CO 0.26 -0.36 1.50 0.35 -3.04 0.00 0.00 177.10 175.81 1mt9 n THR 26 N 4.16 0.90 0.63 -5.21 -2.24 -1.26 -2.10 114.28 109.15 1mt9 n THR 26 Ca 0.04 0.23 0.09 0.00 -2.27 0.00 0.00 64.05 62.13 1mt9 n THR 26 Cb 0.40 -0.95 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 1mt9 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mt9 n GLY 27 N 0.13 1.07 3.21 3.38 0.00 -1.26 -4.84 105.19 106.87 1mt9 n GLY 27 Ca 0.04 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1mt9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt9 s ALA 28 N -1.47 2.18 0.17 4.61 0.00 -0.89 -5.01 121.76 121.35 1mt9 s ALA 28 Ca 0.32 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1mt9 s ALA 28 Cb 0.17 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1mt9 s ALA 28 CO 0.24 0.22 1.43 -0.44 0.00 0.00 0.00 175.76 177.20 1mt9 h ASP 29 N 6.85 0.60 -1.57 0.00 3.32 -1.88 -0.45 116.42 123.29 1mt9 h ASP 29 Ca -0.22 -0.38 -0.58 0.00 0.02 0.00 0.00 57.03 55.87 1mt9 h ASP 29 Cb 1.23 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.51 1mt9 h ASP 29 CO 0.49 1.12 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.80 1mt9 s ASP 30 N -6.99 4.30 -0.23 6.45 1.01 -1.26 -2.82 116.67 117.14 1mt9 s ASP 30 Ca -0.07 -1.16 -0.09 0.00 0.71 0.00 0.00 52.55 51.94 1mt9 s ASP 30 Cb 0.10 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1mt9 s ASP 30 CO 0.85 -0.54 0.11 -0.89 0.21 0.00 0.00 175.17 174.92 1mt9 s THR 31 N -2.63 4.99 -0.10 -1.27 2.01 -1.26 -2.95 115.64 114.42 1mt9 s THR 31 Ca 0.39 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1mt9 s THR 31 Cb 0.05 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1mt9 s THR 31 CO 0.21 0.37 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.68 1mt9 s VAL 32 N 0.98 1.40 0.13 3.82 1.01 0.20 -1.08 120.40 126.86 1mt9 s VAL 32 Ca 0.06 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1mt9 s VAL 32 Cb -0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1mt9 s VAL 32 CO 0.03 0.42 -0.08 -0.76 0.00 0.00 0.00 175.10 174.71 1mt9 s LEU 33 N 0.92 3.07 0.69 3.92 1.43 0.34 0.09 118.68 129.13 1mt9 s LEU 33 Ca -0.09 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 1mt9 s LEU 33 Cb -0.15 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1mt9 s LEU 33 CO -0.00 0.15 1.22 -0.70 0.23 0.00 0.00 176.35 177.25 1mt9 s GLU 34 N -2.45 2.40 -0.10 1.70 -6.30 -1.26 -2.27 118.70 110.42 1mt9 s GLU 34 Ca 0.23 1.81 -0.41 0.00 -2.50 0.00 0.00 54.97 54.10 1mt9 s GLU 34 Cb -0.10 -1.86 -0.20 0.00 0.00 0.00 0.00 34.13 31.97 1mt9 s GLU 34 CO 0.15 -1.65 1.17 -1.91 0.02 0.00 0.00 175.26 173.04 1mt9 n GLU 35 N -2.35 0.00 -3.65 4.30 4.07 -1.06 -4.64 120.64 117.32 1mt9 n GLU 35 Ca 0.14 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.10 1mt9 n GLU 35 Cb 0.50 -1.49 -0.08 0.00 -0.06 0.00 0.00 31.44 30.32 1mt9 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mt9 s MET 36 N 0.61 0.78 -1.12 5.31 0.23 -1.26 -5.02 119.30 118.82 1mt9 s MET 36 Ca 0.93 0.85 -0.19 0.00 -1.03 0.00 0.00 55.69 56.24 1mt9 s MET 36 Cb -1.31 0.38 0.09 0.00 -1.53 0.00 0.00 34.83 32.46 1mt9 s MET 36 CO 0.62 -0.11 1.49 0.54 -2.03 0.00 0.00 175.02 175.53 1mt9 s ASN 37 N 0.22 6.71 0.05 -1.18 4.22 -1.26 -4.99 114.94 118.72 1mt9 s ASN 37 Ca -0.01 -2.09 -0.14 0.00 -2.14 0.00 0.00 52.86 48.48 1mt9 s ASN 37 Cb -0.04 -2.52 -0.06 0.00 1.28 0.00 0.00 41.25 39.90 1mt9 s ASN 37 CO 0.02 -1.22 0.46 -0.76 -2.04 0.00 0.00 177.10 173.55 1mt9 s LEU 38 N 3.89 4.44 0.77 3.54 1.43 -1.26 -5.08 118.68 126.40 1mt9 s LEU 38 Ca 0.46 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1mt9 s LEU 38 Cb 0.00 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.45 1mt9 s LEU 38 CO -0.03 0.25 1.13 -2.16 0.23 0.00 0.00 176.35 175.77 1mt9 s PRO 39 N -1.39 2.29 0.00 1.29 0.04 -1.26 -4.98 135.00 131.00 1mt9 s PRO 39 Ca 0.29 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1mt9 s PRO 39 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1mt9 s PRO 39 CO 0.16 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1mt9 n GLY 40 N -2.87 2.32 3.81 0.56 0.00 -1.26 -5.03 105.19 102.72 1mt9 n GLY 40 Ca 0.07 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1mt9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mt9 s LYS 41 N -2.70 3.55 0.21 1.61 3.01 -1.26 -5.07 119.74 119.10 1mt9 s LYS 41 Ca 0.00 1.22 -0.09 0.00 -1.01 0.00 0.00 55.97 56.09 1mt9 s LYS 41 Cb 0.00 -2.07 -0.01 0.00 -1.01 0.00 0.00 37.83 34.74 1mt9 s LYS 41 CO 0.00 -0.62 0.34 1.67 0.51 0.00 0.00 175.35 177.25 1mt9 s TRP 42 N -2.33 0.57 0.01 3.18 1.48 -1.26 -4.67 118.94 115.92 1mt9 s TRP 42 Ca 0.64 -0.90 0.04 0.00 -1.06 0.00 0.00 56.10 54.83 1mt9 s TRP 42 Cb -0.15 -0.06 -0.01 0.00 -1.16 0.00 0.00 33.47 32.08 1mt9 s TRP 42 CO 0.31 -0.83 -0.13 0.15 -4.06 0.00 0.00 176.95 172.39 1mt9 s LYS 43 N -4.04 0.98 0.41 3.25 -0.14 -0.78 -4.89 119.74 114.53 1mt9 s LYS 43 Ca 0.25 -0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 54.07 1mt9 s LYS 43 Cb 0.02 -0.95 -0.08 0.00 -1.68 0.00 0.00 37.83 35.14 1mt9 s LYS 43 CO 0.07 0.25 1.20 -2.14 -0.76 0.00 0.00 175.35 173.98 1mt9 s PRO 44 N -0.58 3.97 0.07 -1.68 0.02 -1.26 -0.36 135.00 135.18 1mt9 s PRO 44 Ca 0.04 1.90 -0.19 0.00 0.02 0.00 0.00 61.00 62.76 1mt9 s PRO 44 Cb -0.06 -2.64 0.04 0.00 0.02 0.00 0.00 34.50 31.86 1mt9 s PRO 44 CO 0.00 -0.41 0.46 0.21 -0.33 0.00 0.00 177.00 176.93 1mt9 s LYS 45 N -2.36 1.02 -0.11 5.54 2.20 -0.57 -4.87 119.74 120.59 1mt9 s LYS 45 Ca 0.58 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1mt9 s LYS 45 Cb -0.32 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1mt9 s LYS 45 CO 0.40 -0.38 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.15 1mt9 s MET 46 N -2.88 3.07 0.09 4.03 -1.94 -1.26 -0.83 119.30 119.58 1mt9 s MET 46 Ca -0.03 -0.86 0.08 0.00 -1.71 0.00 0.00 55.69 53.17 1mt9 s MET 46 Cb -0.00 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 1mt9 s MET 46 CO -0.05 0.15 -0.21 0.96 -0.01 0.00 0.00 175.02 175.86 1mt9 s ILE 47 N 0.41 1.69 0.33 2.53 -4.36 -0.96 -4.97 121.20 115.87 1mt9 s ILE 47 Ca -0.17 -1.45 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 1mt9 s ILE 47 Cb -0.17 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 1mt9 s ILE 47 CO 0.07 0.00 0.14 -0.83 0.24 0.00 0.00 174.94 174.56 1mt9 s GLY 48 N -1.72 2.16 0.00 6.27 0.00 -1.26 -1.40 107.32 111.37 1mt9 s GLY 48 Ca 0.07 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1mt9 s GLY 48 CO 0.04 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1mt9 n GLY 49 N -0.66 0.96 3.72 0.20 0.00 -0.72 -5.00 105.19 103.70 1mt9 n GLY 49 Ca -0.01 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1mt9 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mt9 s ILE 50 N -1.14 2.43 0.00 -0.61 1.09 -1.26 -2.29 121.20 119.43 1mt9 s ILE 50 Ca 0.00 0.32 0.00 0.00 -1.10 0.00 0.00 60.65 59.87 1mt9 s ILE 50 Cb 0.00 -3.20 0.00 0.00 -1.06 0.00 0.00 42.46 38.20 1mt9 s ILE 50 CO 0.00 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 1mt9 n GLY 51 N 3.55 3.23 0.00 6.18 0.00 -1.26 -4.95 105.19 111.94 1mt9 n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mt9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt9 n GLY 52 N -1.05 0.69 3.55 -0.02 0.00 -0.97 -5.10 105.19 102.29 1mt9 n GLY 52 Ca 0.00 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 1mt9 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mt9 s PHE 53 N -2.54 2.60 0.07 1.61 0.40 -1.26 -1.75 117.98 117.10 1mt9 s PHE 53 Ca 0.00 -0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.13 1mt9 s PHE 53 Cb 0.00 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 1mt9 s PHE 53 CO 0.00 0.51 -0.12 0.96 0.70 0.00 0.00 175.22 177.28 1mt9 s ILE 54 N -1.70 0.91 -0.03 0.64 -4.36 -0.49 -4.98 121.20 111.18 1mt9 s ILE 54 Ca 0.24 -1.30 -0.21 0.00 -0.26 0.00 0.00 60.65 59.13 1mt9 s ILE 54 Cb -0.09 -0.98 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 1mt9 s ILE 54 CO 0.15 -0.33 0.59 -1.59 0.24 0.00 0.00 174.94 174.00 1mt9 s LYS 55 N -1.88 4.33 0.20 0.37 0.00 -1.26 -2.26 119.74 119.24 1mt9 s LYS 55 Ca -0.03 0.71 0.01 0.00 0.00 0.00 0.00 55.97 56.66 1mt9 s LYS 55 Cb -0.09 -3.37 -0.05 0.00 0.00 0.00 0.00 37.83 34.32 1mt9 s LYS 55 CO 0.01 0.28 0.04 0.14 0.00 0.00 0.00 175.35 175.83 1mt9 s VAL 56 N 0.11 0.55 -0.17 1.79 -7.23 -0.01 -4.38 120.40 111.06 1mt9 s VAL 56 Ca 0.31 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1mt9 s VAL 56 Cb -0.18 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1mt9 s VAL 56 CO 0.16 -0.31 0.03 -0.13 -0.31 0.00 0.00 175.10 174.55 1mt9 s ARG 57 N -3.98 3.84 -0.26 4.82 0.52 0.13 -1.52 118.95 122.51 1mt9 s ARG 57 Ca 0.29 -0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 55.00 1mt9 s ARG 57 Cb 0.07 -3.11 -0.05 0.00 0.52 0.00 0.00 34.95 32.37 1mt9 s ARG 57 CO 0.07 0.30 0.17 -1.14 0.02 0.00 0.00 175.30 174.72 1mt9 s GLN 58 N 0.27 4.01 -0.09 3.54 0.74 0.51 -0.52 119.66 128.12 1mt9 s GLN 58 Ca 0.02 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.15 1mt9 s GLN 58 Cb -0.13 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 1mt9 s GLN 58 CO 0.01 -0.05 -0.14 0.71 -0.55 0.00 0.00 175.29 175.26 1mt9 s TYR 59 N 1.39 2.74 0.17 1.67 1.51 -0.17 -1.86 117.35 122.81 1mt9 s TYR 59 Ca 0.07 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1mt9 s TYR 59 Cb -0.15 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1mt9 s TYR 59 CO 0.08 -0.03 0.18 -0.51 -1.11 0.00 0.00 175.55 174.15 1mt9 s ASP 60 N -0.16 5.70 -1.32 2.29 1.01 -1.26 -0.52 116.67 122.41 1mt9 s ASP 60 Ca -0.01 -0.08 -0.08 0.00 0.71 0.00 0.00 52.55 53.09 1mt9 s ASP 60 Cb -0.13 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.26 1mt9 s ASP 60 CO 0.03 0.05 0.53 0.00 0.21 0.00 0.00 175.17 176.00 1mt9 n GLN 61 N -0.50 -2.50 -3.67 8.23 1.13 -1.14 -4.90 117.38 114.02 1mt9 n GLN 61 Ca -0.08 0.39 -0.36 0.00 -1.94 0.00 0.00 57.00 55.01 1mt9 n GLN 61 Cb 0.55 -4.28 -0.10 0.00 0.11 0.00 0.00 30.24 26.53 1mt9 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mt9 s ILE 62 N -3.80 5.33 0.13 5.09 -1.09 -0.06 -4.78 121.20 122.01 1mt9 s ILE 62 Ca 0.16 0.17 -0.31 0.00 -2.23 0.00 0.00 60.65 58.44 1mt9 s ILE 62 Cb -0.06 -3.48 -0.08 0.00 -1.58 0.00 0.00 42.46 37.26 1mt9 s ILE 62 CO 0.89 0.35 1.36 -2.84 -1.23 0.00 0.00 174.94 173.47 1mt9 s PRO 63 N 1.04 4.34 -0.03 2.79 0.02 -1.26 -2.38 135.00 139.51 1mt9 s PRO 63 Ca 0.07 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.13 1mt9 s PRO 63 Cb -0.13 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.17 1mt9 s PRO 63 CO 0.04 -0.39 0.04 0.08 -0.33 0.00 0.00 177.00 176.45 1mt9 s VAL 64 N 0.91 -0.08 -0.20 3.83 1.01 -0.10 -4.40 120.40 121.38 1mt9 s VAL 64 Ca 0.63 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 1mt9 s VAL 64 Cb -0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1mt9 s VAL 64 CO 0.32 0.13 0.09 -0.70 0.00 0.00 0.00 175.10 174.94 1mt9 s GLU 65 N 1.58 4.04 -0.28 2.72 2.12 -0.52 -1.02 118.70 127.35 1mt9 s GLU 65 Ca -0.03 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.03 1mt9 s GLU 65 Cb -0.13 -3.31 0.07 0.00 0.26 0.00 0.00 34.13 31.02 1mt9 s GLU 65 CO -0.03 0.24 -0.07 0.42 -0.54 0.00 0.00 175.26 175.28 1mt9 s ILE 66 N 0.49 2.27 -1.49 -3.70 1.01 0.11 -0.50 121.20 119.40 1mt9 s ILE 66 Ca 0.05 -1.74 -0.10 0.00 0.00 0.00 0.00 60.65 58.86 1mt9 s ILE 66 Cb -0.12 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.01 1mt9 s ILE 66 CO 0.00 -0.14 0.84 0.00 0.00 0.00 0.00 174.94 175.64 1mt9 n GLY 68 N -1.66 1.93 3.60 0.00 0.00 -1.26 -5.01 105.19 102.79 1mt9 n GLY 68 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1mt9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mt9 s HIS 69 N -3.02 3.24 0.30 1.61 4.02 0.19 -5.06 115.29 116.57 1mt9 s HIS 69 Ca 0.00 0.23 -0.27 0.00 1.02 0.00 0.00 55.06 56.05 1mt9 s HIS 69 Cb 0.00 -2.43 -0.10 0.00 -1.02 0.00 0.00 32.58 29.03 1mt9 s HIS 69 CO 0.00 -0.16 0.93 0.15 1.02 0.00 0.00 174.74 176.68 1mt9 s LYS 70 N 1.79 4.62 0.20 1.40 1.02 -1.26 0.08 119.74 127.60 1mt9 s LYS 70 Ca 0.10 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.31 1mt9 s LYS 70 Cb -0.16 -2.90 -0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1mt9 s LYS 70 CO 0.10 0.33 0.40 0.00 -0.92 0.00 0.00 175.35 175.26 1mt9 s ALA 71 N -1.53 -0.21 -0.25 5.17 0.00 -0.18 -4.78 121.76 119.98 1mt9 s ALA 71 Ca 0.48 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1mt9 s ALA 71 Cb -0.20 0.96 0.09 0.00 0.00 0.00 0.00 23.12 23.97 1mt9 s ALA 71 CO 0.25 -0.75 0.58 -1.50 0.00 0.00 0.00 175.76 174.34 1mt9 s ILE 72 N -3.98 -0.31 0.00 0.00 2.07 -1.26 -0.92 121.20 116.80 1mt9 s ILE 72 Ca 0.19 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.47 1mt9 s ILE 72 Cb 0.01 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.74 1mt9 s ILE 72 CO 0.04 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1mt9 n GLY 73 N 4.70 1.21 3.75 1.50 0.00 -1.00 -4.86 105.19 110.49 1mt9 n GLY 73 Ca -0.17 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1mt9 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt9 s THR 74 N -2.28 3.77 -0.06 2.61 2.01 -1.26 -0.88 115.64 119.54 1mt9 s THR 74 Ca 0.00 1.63 0.02 0.00 0.31 0.00 0.00 61.69 63.64 1mt9 s THR 74 Cb 0.00 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1mt9 s THR 74 CO 0.00 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.47 1mt9 s VAL 75 N -0.63 0.96 -0.11 3.82 1.01 0.33 -4.54 120.40 121.24 1mt9 s VAL 75 Ca 0.47 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1mt9 s VAL 75 Cb -0.30 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1mt9 s VAL 75 CO 0.37 0.32 0.11 -0.76 0.00 0.00 0.00 175.10 175.14 1mt9 s LEU 76 N 0.80 4.21 -0.07 3.92 1.43 -0.24 -1.00 118.68 127.73 1mt9 s LEU 76 Ca -0.12 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1mt9 s LEU 76 Cb -0.15 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1mt9 s LEU 76 CO 0.02 0.40 -0.16 -0.69 0.23 0.00 0.00 176.35 176.15 1mt9 s VAL 77 N -0.98 1.40 -0.01 -1.59 1.01 0.32 -0.50 120.40 120.05 1mt9 s VAL 77 Ca 0.14 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1mt9 s VAL 77 Cb -0.12 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1mt9 s VAL 77 CO 0.04 0.41 0.27 0.61 0.00 0.00 0.00 175.10 176.43 1mt9 n GLY 78 N 3.61 0.46 2.46 4.51 0.00 -0.96 0.22 105.19 115.48 1mt9 n GLY 78 Ca -0.21 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 1mt9 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mt9 n PRO 79 N -0.20 2.11 -3.09 1.61 -0.04 -1.26 -2.56 135.00 131.57 1mt9 n PRO 79 Ca 0.01 -1.35 -0.36 0.00 -0.04 0.00 0.00 63.50 61.76 1mt9 n PRO 79 Cb 0.12 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 1mt9 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mt9 s THR 80 N 2.80 4.56 -1.52 0.52 -1.32 -1.26 -4.95 115.64 114.46 1mt9 s THR 80 Ca 0.45 1.30 0.18 0.00 -1.21 0.00 0.00 61.69 62.41 1mt9 s THR 80 Cb 0.14 -3.86 0.36 0.00 -1.51 0.00 0.00 72.50 67.62 1mt9 s THR 80 CO -0.03 0.21 1.55 -0.81 -2.21 0.00 0.00 174.62 173.33 1mt9 n PRO 81 N 0.73 0.32 -3.56 7.08 -0.04 -1.26 -4.71 135.00 133.55 1mt9 n PRO 81 Ca -0.02 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 1mt9 n PRO 81 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1mt9 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mt9 s ALA 82 N -2.48 -1.85 0.04 0.55 0.00 -1.26 -5.12 121.76 111.65 1mt9 s ALA 82 Ca 0.19 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1mt9 s ALA 82 Cb 0.12 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1mt9 s ALA 82 CO 0.27 -0.34 1.30 -0.80 0.00 0.00 0.00 175.76 176.19 1mt9 s ASN 83 N -0.99 6.95 -0.08 0.00 0.01 -1.26 -4.66 114.94 114.91 1mt9 s ASN 83 Ca -0.06 2.08 0.02 0.00 -0.71 0.00 0.00 52.86 54.20 1mt9 s ASN 83 Cb -0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1mt9 s ASN 83 CO 0.05 -0.60 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.27 1mt9 s ILE 84 N 1.63 1.34 -0.30 0.60 -1.09 0.11 -1.21 121.20 122.27 1mt9 s ILE 84 Ca 0.61 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 58.35 1mt9 s ILE 84 Cb -0.31 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 1mt9 s ILE 84 CO 0.28 0.40 0.18 -0.63 -1.23 0.00 0.00 174.94 173.94 1mt9 s ILE 85 N 0.79 5.00 0.49 2.92 1.01 -0.26 -0.63 121.20 130.52 1mt9 s ILE 85 Ca -0.11 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1mt9 s ILE 85 Cb -0.16 -3.48 0.09 0.00 0.01 0.00 0.00 42.46 38.92 1mt9 s ILE 85 CO 0.02 0.13 0.67 0.61 0.00 0.00 0.00 174.94 176.37 1mt9 n GLY 86 N 5.04 1.35 0.30 6.18 0.00 -1.15 -1.56 105.19 115.34 1mt9 n GLY 86 Ca -0.14 -2.11 0.13 0.00 0.00 0.00 0.00 46.02 43.90 1mt9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mt9 h ARG 87 N 0.00 0.00 -0.56 1.61 3.08 -1.13 -1.65 114.38 115.73 1mt9 h ARG 87 Ca -0.22 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.91 1mt9 h ARG 87 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1mt9 h ARG 87 CO 0.28 0.00 0.38 -2.95 -1.07 0.00 0.00 179.97 176.61 1mt9 h ASN 88 N 0.00 0.36 0.02 7.04 -1.07 -1.79 -2.18 115.58 117.96 1mt9 h ASN 88 Ca 0.08 0.01 -0.31 0.00 0.07 0.00 0.00 56.30 56.15 1mt9 h ASN 88 Cb 0.34 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.46 1mt9 h ASN 88 CO -0.00 0.23 -2.30 0.18 0.07 0.00 0.00 177.43 175.60 1mt9 n LEU 89 N -4.47 0.03 -0.11 6.14 4.77 -0.84 -4.33 117.00 118.19 1mt9 n LEU 89 Ca 0.09 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1mt9 n LEU 89 Cb 0.33 0.41 0.25 0.00 -2.33 0.00 0.00 43.42 42.08 1mt9 n LEU 89 CO 0.34 0.41 1.04 -0.07 -1.33 0.00 0.00 177.39 177.78 1mt9 h LEU 90 N 0.00 0.70 -0.95 2.23 3.38 -0.99 -2.15 115.31 117.53 1mt9 h LEU 90 Ca -0.45 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.34 1mt9 h LEU 90 Cb 2.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1mt9 h LEU 90 CO 0.03 0.65 -0.18 0.71 0.09 0.00 0.00 178.44 179.74 1mt9 h THR 91 N 0.76 1.25 0.00 0.22 1.35 -1.61 -1.77 112.91 113.10 1mt9 h THR 91 Ca 0.18 -1.17 -0.04 0.00 -0.55 0.00 0.00 66.41 64.82 1mt9 h THR 91 Cb 0.18 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1mt9 h THR 91 CO -0.01 0.38 -0.21 1.56 -0.25 0.00 0.00 175.52 176.99 1mt9 h GLN 92 N 0.51 0.00 -0.65 4.72 4.20 -1.58 -2.37 115.11 119.93 1mt9 h GLN 92 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1mt9 h GLN 92 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1mt9 h GLN 92 CO 0.04 0.21 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 1mt9 n ILE 93 N -4.23 0.87 -2.57 2.54 -5.35 -1.13 -4.94 119.36 104.55 1mt9 n ILE 93 Ca -0.02 -0.88 -0.13 0.00 -0.27 0.00 0.00 62.75 61.44 1mt9 n ILE 93 Cb 0.27 0.47 0.01 0.00 -1.74 0.00 0.00 39.64 38.66 1mt9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mt9 n GLY 94 N 1.56 -0.07 3.73 3.28 0.00 -0.89 -5.00 105.19 107.80 1mt9 n GLY 94 Ca 0.22 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1mt9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt9 s THR 96 N -0.03 0.87 -0.17 0.00 -4.23 -1.26 -4.72 115.64 106.09 1mt9 s THR 96 Ca 0.46 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1mt9 s THR 96 Cb -0.23 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1mt9 s THR 96 CO 0.30 -0.79 0.09 -0.76 -0.54 0.00 0.00 174.62 172.91 1mt9 s LEU 97 N -2.99 4.00 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.52 1mt9 s LEU 97 Ca 0.12 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1mt9 s LEU 97 Cb 0.03 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1mt9 s LEU 97 CO -0.02 0.24 -0.06 0.20 0.23 0.00 0.00 176.35 176.93 1mt9 s ASN 98 N 0.01 0.99 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.80 1mt9 s ASN 98 Ca 0.07 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.22 1mt9 s ASN 98 Cb -0.12 -0.34 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 1mt9 s ASN 98 CO 0.00 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.77