#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt8 s GLN 2 N 0.00 3.39 -0.21 -0.52 0.74 -1.26 -5.09 119.66 116.71 1mt8 s GLN 2 Ca 0.00 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.76 1mt8 s GLN 2 Cb 0.00 -3.00 -0.00 0.00 1.10 0.00 0.00 33.01 31.11 1mt8 s GLN 2 CO 0.00 -0.17 -0.07 0.42 -0.55 0.00 0.00 175.29 174.92 1mt8 s ILE 3 N 1.42 3.16 0.53 -2.34 1.01 -1.26 -5.11 121.20 118.62 1mt8 s ILE 3 Ca 0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1mt8 s ILE 3 Cb -0.14 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1mt8 s ILE 3 CO -0.03 0.45 0.88 0.42 0.00 0.00 0.00 174.94 176.65 1mt8 s THR 4 N 1.40 4.84 -0.37 2.92 -4.23 -1.26 -5.02 115.64 113.91 1mt8 s THR 4 Ca 0.05 0.45 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1mt8 s THR 4 Cb -0.14 -3.87 0.56 0.00 1.34 0.00 0.00 72.50 70.39 1mt8 s THR 4 CO -0.04 -0.96 1.65 0.18 -0.54 0.00 0.00 174.62 174.90 1mt8 n LEU 5 N -2.44 5.32 0.13 4.79 4.77 -1.26 -4.49 117.00 123.81 1mt8 n LEU 5 Ca 0.03 -3.81 -0.01 0.00 -0.03 0.00 0.00 56.01 52.19 1mt8 n LEU 5 Cb 0.55 -0.72 0.11 0.00 -2.33 0.00 0.00 43.42 41.03 1mt8 n LEU 5 CO 0.55 1.25 0.44 -0.50 -1.33 0.00 0.00 177.39 177.80 1mt8 h TRP 6 N 1.12 0.00 -1.99 -1.77 4.06 -2.06 -3.44 115.95 111.86 1mt8 h TRP 6 Ca 0.40 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.75 1mt8 h TRP 6 Cb 2.02 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 30.05 1mt8 h TRP 6 CO 1.26 0.65 -0.64 0.15 -3.56 0.00 0.00 178.44 176.30 1mt8 s LYS 7 N -3.28 1.83 0.26 0.49 1.02 -1.26 -5.09 119.74 113.70 1mt8 s LYS 7 Ca 0.00 -1.98 -0.30 0.00 0.02 0.00 0.00 55.97 53.71 1mt8 s LYS 7 Cb 0.11 -1.55 -0.11 0.00 -0.52 0.00 0.00 37.83 35.76 1mt8 s LYS 7 CO 0.76 0.03 1.56 1.03 -0.92 0.00 0.00 175.35 177.81 1mt8 s ARG 8 N -3.68 4.17 -1.15 1.68 0.52 -1.26 -4.85 118.95 114.37 1mt8 s ARG 8 Ca 0.33 2.49 -0.20 0.00 -0.52 0.00 0.00 55.73 57.84 1mt8 s ARG 8 Cb 0.06 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 1mt8 s ARG 8 CO 0.16 -0.58 1.94 -0.35 0.02 0.00 0.00 175.30 176.49 1mt8 n PRO 9 N 2.50 2.20 -3.59 3.54 -0.04 -1.26 -4.93 135.00 133.41 1mt8 n PRO 9 Ca 0.09 -2.53 -0.38 0.00 -0.04 0.00 0.00 63.50 60.64 1mt8 n PRO 9 Cb 0.38 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.40 1mt8 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mt8 s LEU 10 N 5.18 4.44 0.22 1.53 1.43 -1.26 -0.75 118.68 129.48 1mt8 s LEU 10 Ca 0.58 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1mt8 s LEU 10 Cb 0.07 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1mt8 s LEU 10 CO 0.08 0.33 0.14 0.68 0.23 0.00 0.00 176.35 177.81 1mt8 s VAL 11 N -0.97 0.07 -0.16 -1.59 -7.23 0.44 -4.95 120.40 106.02 1mt8 s VAL 11 Ca 0.21 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1mt8 s VAL 11 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1mt8 s VAL 11 CO 0.11 0.00 0.10 -0.89 -0.31 0.00 0.00 175.10 174.10 1mt8 s THR 12 N -4.04 5.12 0.15 5.32 2.01 -1.26 -0.66 115.64 122.29 1mt8 s THR 12 Ca 0.39 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.56 1mt8 s THR 12 Cb 0.07 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1mt8 s THR 12 CO 0.14 0.52 -0.21 0.27 -0.69 0.00 0.00 174.62 174.64 1mt8 s ILE 13 N -0.18 1.96 -0.36 1.82 -4.36 0.14 -2.24 121.20 117.97 1mt8 s ILE 13 Ca 0.09 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1mt8 s ILE 13 Cb -0.12 -1.84 0.09 0.00 1.25 0.00 0.00 42.46 41.84 1mt8 s ILE 13 CO 0.01 -0.16 0.10 -0.60 0.24 0.00 0.00 174.94 174.53 1mt8 s ARG 14 N -2.45 2.00 -0.54 0.37 3.52 0.37 -1.27 118.95 120.95 1mt8 s ARG 14 Ca 0.14 -1.67 -0.16 0.00 -0.13 0.00 0.00 55.73 53.91 1mt8 s ARG 14 Cb -0.08 -3.36 0.13 0.00 -1.56 0.00 0.00 34.95 30.08 1mt8 s ARG 14 CO 0.07 -0.90 0.51 -1.50 -0.81 0.00 0.00 175.30 172.67 1mt8 s ILE 15 N 1.11 5.17 0.00 4.11 1.10 0.04 -2.14 121.20 130.60 1mt8 s ILE 15 Ca 0.05 -1.43 0.00 0.00 -0.51 0.00 0.00 60.65 58.75 1mt8 s ILE 15 Cb -0.21 -4.35 0.00 0.00 0.15 0.00 0.00 42.46 38.06 1mt8 s ILE 15 CO -0.04 -0.88 0.00 0.61 -2.11 0.00 0.00 174.94 172.51 1mt8 n GLY 16 N 5.25 2.06 2.83 1.50 0.00 -1.26 -2.72 105.19 112.84 1mt8 n GLY 16 Ca -0.14 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1mt8 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt8 n GLY 17 N 0.00 5.59 3.40 -0.02 0.00 -1.26 -4.97 105.19 107.92 1mt8 n GLY 17 Ca 0.00 -2.75 -0.09 0.00 0.00 0.00 0.00 46.02 43.18 1mt8 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mt8 s GLN 18 N -3.47 0.48 -0.06 1.61 0.74 -1.10 -5.15 119.66 112.71 1mt8 s GLN 18 Ca 0.46 0.99 -0.12 0.00 0.05 0.00 0.00 55.36 56.74 1mt8 s GLN 18 Cb 0.24 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.43 1mt8 s GLN 18 CO -0.11 -0.17 0.30 -0.51 -0.55 0.00 0.00 175.29 174.24 1mt8 s LEU 19 N 1.74 4.42 0.04 3.68 1.43 -1.26 -0.78 118.68 127.96 1mt8 s LEU 19 Ca -0.08 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1mt8 s LEU 19 Cb -0.08 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1mt8 s LEU 19 CO -0.15 0.34 0.20 -0.54 0.23 0.00 0.00 176.35 176.43 1mt8 s LYS 20 N -0.92 0.71 -0.18 1.70 1.02 -0.39 -4.98 119.74 116.70 1mt8 s LYS 20 Ca 0.20 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.40 1mt8 s LYS 20 Cb -0.15 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1mt8 s LYS 20 CO 0.09 -0.21 0.35 -2.00 -0.92 0.00 0.00 175.35 172.67 1mt8 s GLU 21 N -2.62 4.22 0.04 1.68 2.12 -1.26 -0.68 118.70 122.20 1mt8 s GLU 21 Ca -0.05 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1mt8 s GLU 21 Cb -0.01 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1mt8 s GLU 21 CO -0.04 0.10 -0.08 0.00 -0.54 0.00 0.00 175.26 174.70 1mt8 s ALA 22 N 0.89 0.56 -0.23 6.30 0.00 0.16 -4.58 121.76 124.87 1mt8 s ALA 22 Ca 0.18 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1mt8 s ALA 22 Cb -0.14 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1mt8 s ALA 22 CO 0.06 -0.01 0.31 -1.17 0.00 0.00 0.00 175.76 174.95 1mt8 s LEU 23 N -1.46 4.12 -0.43 0.00 2.96 -0.52 -0.42 118.68 122.93 1mt8 s LEU 23 Ca -0.09 0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.86 1mt8 s LEU 23 Cb -0.09 -2.35 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 1mt8 s LEU 23 CO 0.00 -0.04 1.61 -0.76 -1.32 0.00 0.00 176.35 175.84 1mt8 s LEU 24 N 1.36 3.49 -0.32 -0.68 1.43 0.07 -1.48 118.68 122.55 1mt8 s LEU 24 Ca 0.14 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1mt8 s LEU 24 Cb -0.15 -3.32 0.08 0.00 0.03 0.00 0.00 46.19 42.84 1mt8 s LEU 24 CO 0.07 -1.70 0.02 0.21 0.23 0.00 0.00 176.35 175.18 1mt8 s ASN 25 N 5.33 4.78 0.00 2.29 2.47 -0.71 -4.81 114.94 124.29 1mt8 s ASN 25 Ca 0.67 -1.78 0.25 0.00 0.42 0.00 0.00 52.86 52.43 1mt8 s ASN 25 Cb -0.16 -1.65 1.14 0.00 -1.45 0.00 0.00 41.25 39.13 1mt8 s ASN 25 CO 0.30 -0.33 1.82 0.35 -3.72 0.00 0.00 177.10 175.52 1mt8 n THR 26 N 4.42 0.25 0.40 -5.21 -2.24 -1.26 -2.86 114.28 107.78 1mt8 n THR 26 Ca -0.05 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1mt8 n THR 26 Cb 0.42 -0.64 0.22 0.00 -2.10 0.00 0.00 70.33 68.23 1mt8 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mt8 n GLY 27 N 1.01 1.38 3.09 3.38 0.00 -1.26 -4.85 105.19 107.94 1mt8 n GLY 27 Ca 0.08 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1mt8 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt8 s ALA 28 N -1.48 1.46 0.13 4.61 0.00 -1.13 -5.02 121.76 120.33 1mt8 s ALA 28 Ca 0.32 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1mt8 s ALA 28 Cb 0.18 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1mt8 s ALA 28 CO 0.20 0.20 1.36 -0.44 0.00 0.00 0.00 175.76 177.08 1mt8 h ASP 29 N 6.60 0.75 -1.71 0.00 3.32 -1.88 -0.89 116.42 122.61 1mt8 h ASP 29 Ca -0.30 -0.49 -0.54 0.00 0.02 0.00 0.00 57.03 55.72 1mt8 h ASP 29 Cb 1.19 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.45 1mt8 h ASP 29 CO 0.48 1.27 -0.49 -1.81 -1.72 0.00 0.00 179.24 176.96 1mt8 s ASP 30 N -7.05 4.71 -0.27 6.45 1.01 -1.26 -2.56 116.67 117.70 1mt8 s ASP 30 Ca -0.08 -0.85 -0.10 0.00 0.71 0.00 0.00 52.55 52.23 1mt8 s ASP 30 Cb 0.09 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 1mt8 s ASP 30 CO 0.88 -0.45 0.15 -0.89 0.21 0.00 0.00 175.17 175.06 1mt8 s THR 31 N -2.49 5.00 -0.11 -1.27 2.01 -1.26 -3.00 115.64 114.52 1mt8 s THR 31 Ca 0.41 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.50 1mt8 s THR 31 Cb -0.01 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1mt8 s THR 31 CO 0.24 0.29 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.59 1mt8 s VAL 32 N 1.63 1.69 0.13 3.82 1.01 -0.62 -0.90 120.40 127.16 1mt8 s VAL 32 Ca 0.07 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1mt8 s VAL 32 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1mt8 s VAL 32 CO 0.08 0.48 -0.15 -0.76 0.00 0.00 0.00 175.10 174.75 1mt8 s LEU 33 N 0.76 2.82 1.01 3.92 1.43 0.72 -1.01 118.68 128.34 1mt8 s LEU 33 Ca -0.11 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1mt8 s LEU 33 Cb -0.16 -1.62 0.13 0.00 0.03 0.00 0.00 46.19 44.57 1mt8 s LEU 33 CO 0.01 0.16 0.69 -0.62 0.23 0.00 0.00 176.35 176.83 1mt8 n GLU 34 N 0.60 -0.94 -1.68 1.70 1.02 -1.26 -1.79 120.64 118.29 1mt8 n GLU 34 Ca -0.14 -0.23 -0.51 0.00 -0.02 0.00 0.00 57.16 56.26 1mt8 n GLU 34 Cb 0.53 -2.06 -0.06 0.00 -0.02 0.00 0.00 31.44 29.84 1mt8 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1mt8 n GLU 35 N -3.17 1.78 -3.64 3.49 4.07 -1.21 -4.40 120.64 117.54 1mt8 n GLU 35 Ca 0.07 0.65 -0.10 0.00 -0.06 0.00 0.00 57.16 57.72 1mt8 n GLU 35 Cb 0.54 -2.42 -0.04 0.00 -0.06 0.00 0.00 31.44 29.47 1mt8 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mt8 s MET 36 N 3.24 1.29 -0.11 5.31 0.23 -1.26 -5.01 119.30 122.99 1mt8 s MET 36 Ca 0.92 -0.74 -0.19 0.00 -1.03 0.00 0.00 55.69 54.65 1mt8 s MET 36 Cb -0.83 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 32.96 1mt8 s MET 36 CO 0.54 -0.54 0.51 0.54 -2.03 0.00 0.00 175.02 174.03 1mt8 s ASN 37 N -2.83 6.73 0.06 -1.18 4.22 -1.26 -5.03 114.94 115.64 1mt8 s ASN 37 Ca 0.06 0.87 0.04 0.00 -2.14 0.00 0.00 52.86 51.68 1mt8 s ASN 37 Cb -0.00 -2.30 -0.03 0.00 1.28 0.00 0.00 41.25 40.20 1mt8 s ASN 37 CO -0.07 -0.01 -0.11 -0.76 -2.04 0.00 0.00 177.10 174.11 1mt8 s LEU 38 N 0.63 2.27 0.66 3.54 1.43 -1.26 -5.15 118.68 120.80 1mt8 s LEU 38 Ca 0.28 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1mt8 s LEU 38 Cb -0.15 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 1mt8 s LEU 38 CO 0.11 -0.15 1.07 -2.84 0.23 0.00 0.00 176.35 174.77 1mt8 s PRO 39 N -1.71 3.01 0.00 1.29 0.02 -1.26 -4.94 135.00 131.42 1mt8 s PRO 39 Ca -0.06 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.09 1mt8 s PRO 39 Cb -0.10 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1mt8 s PRO 39 CO 0.01 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 1mt8 n GLY 40 N -1.34 0.68 3.81 0.52 0.00 -1.26 -4.98 105.19 102.63 1mt8 n GLY 40 Ca 0.08 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 1mt8 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mt8 s LYS 41 N -1.46 4.20 0.07 1.61 3.01 -1.26 -5.08 119.74 120.83 1mt8 s LYS 41 Ca 0.00 0.75 0.08 0.00 -1.01 0.00 0.00 55.97 55.78 1mt8 s LYS 41 Cb 0.00 -3.16 -0.03 0.00 -1.01 0.00 0.00 37.83 33.63 1mt8 s LYS 41 CO 0.00 0.59 -0.21 1.67 0.51 0.00 0.00 175.35 177.91 1mt8 s TRP 42 N -1.20 1.83 -0.06 3.18 1.48 -1.26 -4.67 118.94 118.25 1mt8 s TRP 42 Ca 0.32 -0.39 0.00 0.00 -1.06 0.00 0.00 56.10 54.97 1mt8 s TRP 42 Cb -0.19 -1.06 -0.03 0.00 -1.16 0.00 0.00 33.47 31.03 1mt8 s TRP 42 CO 0.20 0.15 -0.04 0.15 -4.06 0.00 0.00 176.95 173.35 1mt8 s LYS 43 N -1.50 2.80 -0.02 3.25 -0.14 -1.09 -4.84 119.74 118.22 1mt8 s LYS 43 Ca 0.07 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 1mt8 s LYS 43 Cb -0.09 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 1mt8 s LYS 43 CO 0.03 0.66 1.15 -2.14 -0.76 0.00 0.00 175.35 174.29 1mt8 s PRO 44 N -1.01 4.41 0.36 -1.68 0.02 -1.26 -0.55 135.00 135.29 1mt8 s PRO 44 Ca 0.14 1.64 0.04 0.00 0.02 0.00 0.00 61.00 62.84 1mt8 s PRO 44 Cb -0.11 -3.48 -0.06 0.00 0.02 0.00 0.00 34.50 30.87 1mt8 s PRO 44 CO 0.04 -0.32 0.05 0.15 -0.33 0.00 0.00 177.00 176.59 1mt8 s LYS 45 N 1.66 1.77 -0.06 5.54 1.02 0.31 -4.94 119.74 125.04 1mt8 s LYS 45 Ca 0.55 -2.01 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1mt8 s LYS 45 Cb -0.25 -1.02 0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1mt8 s LYS 45 CO 0.25 -0.20 -0.04 -1.64 -0.92 0.00 0.00 175.35 172.80 1mt8 s MET 46 N -3.84 0.89 0.15 1.68 -1.94 -1.26 -0.90 119.30 114.08 1mt8 s MET 46 Ca 0.33 -0.08 0.09 0.00 -1.71 0.00 0.00 55.69 54.33 1mt8 s MET 46 Cb 0.08 -0.98 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 1mt8 s MET 46 CO 0.15 -0.15 -0.21 0.96 -0.01 0.00 0.00 175.02 175.75 1mt8 s ILE 47 N 1.27 1.97 0.33 2.53 -4.36 -0.87 -4.96 121.20 117.10 1mt8 s ILE 47 Ca -0.05 -1.81 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 1mt8 s ILE 47 Cb -0.14 -1.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 1mt8 s ILE 47 CO -0.02 -0.14 0.09 -0.83 0.24 0.00 0.00 174.94 174.27 1mt8 s GLY 48 N -2.36 2.10 0.00 6.27 0.00 -1.26 -0.74 107.32 111.32 1mt8 s GLY 48 Ca 0.14 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.03 1mt8 s GLY 48 CO 0.07 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 172.02 1mt8 n GLY 49 N -0.67 2.50 0.38 0.20 0.00 -0.17 -4.97 105.19 102.45 1mt8 n GLY 49 Ca -0.02 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1mt8 n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mt8 h ILE 50 N 0.00 0.15 -0.28 -0.61 5.03 -2.02 -2.83 117.51 116.94 1mt8 h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1mt8 h ILE 50 Cb 0.00 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 33.94 1mt8 h ILE 50 CO 0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 1mt8 n GLY 51 N -1.42 0.83 0.00 5.37 0.00 -1.26 -5.03 105.19 103.69 1mt8 n GLY 51 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1mt8 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt8 n GLY 52 N 0.79 0.43 3.73 -0.02 0.00 -1.07 -5.07 105.19 103.97 1mt8 n GLY 52 Ca 0.10 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 1mt8 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mt8 s PHE 53 N -0.05 3.00 0.07 1.61 0.40 -1.26 -1.00 117.98 120.74 1mt8 s PHE 53 Ca 0.00 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1mt8 s PHE 53 Cb 0.00 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1mt8 s PHE 53 CO 0.00 0.52 -0.06 0.96 0.70 0.00 0.00 175.22 177.34 1mt8 s ILE 54 N -1.72 0.51 -0.04 0.64 -4.36 0.08 -4.98 121.20 111.32 1mt8 s ILE 54 Ca 0.29 -1.57 -0.13 0.00 -0.26 0.00 0.00 60.65 58.97 1mt8 s ILE 54 Cb -0.10 -1.21 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1mt8 s ILE 54 CO 0.21 -0.72 0.35 -1.59 0.24 0.00 0.00 174.94 173.43 1mt8 s LYS 55 N -2.98 3.89 0.09 0.37 0.00 -1.26 -2.04 119.74 117.80 1mt8 s LYS 55 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 55.97 56.28 1mt8 s LYS 55 Cb -0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 37.83 34.54 1mt8 s LYS 55 CO -0.04 0.64 -0.02 0.14 0.00 0.00 0.00 175.35 176.07 1mt8 s VAL 56 N -0.84 0.38 -0.21 1.79 -7.23 -0.08 -4.48 120.40 109.74 1mt8 s VAL 56 Ca 0.22 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 1mt8 s VAL 56 Cb -0.15 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1mt8 s VAL 56 CO 0.11 -0.80 0.30 -0.13 -0.31 0.00 0.00 175.10 174.26 1mt8 s ARG 57 N -3.92 4.14 -0.11 4.82 0.52 0.84 -0.53 118.95 124.71 1mt8 s ARG 57 Ca 0.13 0.01 -0.14 0.00 -0.52 0.00 0.00 55.73 55.22 1mt8 s ARG 57 Cb 0.07 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 1mt8 s ARG 57 CO -0.05 0.03 0.33 -1.14 0.02 0.00 0.00 175.30 174.48 1mt8 s GLN 58 N 1.14 4.07 -0.09 3.54 0.74 0.29 -0.70 119.66 128.65 1mt8 s GLN 58 Ca 0.14 0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.77 1mt8 s GLN 58 Cb -0.14 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.64 1mt8 s GLN 58 CO 0.06 0.42 -0.16 0.71 -0.55 0.00 0.00 175.29 175.77 1mt8 s TYR 59 N -0.12 1.84 0.16 1.67 1.51 0.39 -2.66 117.35 120.15 1mt8 s TYR 59 Ca 0.19 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1mt8 s TYR 59 Cb -0.14 -1.31 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1mt8 s TYR 59 CO 0.07 -0.37 0.25 -0.51 -1.11 0.00 0.00 175.55 173.89 1mt8 s ASP 60 N 0.70 6.11 -1.49 2.29 1.01 -1.26 -0.18 116.67 123.83 1mt8 s ASP 60 Ca -0.13 0.07 -0.06 0.00 0.71 0.00 0.00 52.55 53.14 1mt8 s ASP 60 Cb -0.16 -1.77 0.05 0.00 1.01 0.00 0.00 42.92 42.05 1mt8 s ASP 60 CO 0.03 0.04 0.59 0.00 0.21 0.00 0.00 175.17 176.05 1mt8 n GLN 61 N -0.60 -3.61 -3.44 8.23 6.02 -1.21 -4.89 117.38 117.88 1mt8 n GLN 61 Ca -0.08 0.43 -0.38 0.00 -0.01 0.00 0.00 57.00 56.97 1mt8 n GLN 61 Cb 0.55 -4.82 -0.06 0.00 1.02 0.00 0.00 30.24 26.92 1mt8 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1mt8 s ILE 62 N -3.69 5.12 0.05 5.09 -1.09 -0.12 -4.68 121.20 121.88 1mt8 s ILE 62 Ca 0.27 0.84 -0.28 0.00 -2.23 0.00 0.00 60.65 59.25 1mt8 s ILE 62 Cb -0.14 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1mt8 s ILE 62 CO 0.89 0.47 0.90 -2.84 -1.23 0.00 0.00 174.94 173.13 1mt8 s PRO 63 N -0.30 4.60 -0.02 2.79 0.02 -1.26 -1.32 135.00 139.51 1mt8 s PRO 63 Ca 0.23 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1mt8 s PRO 63 Cb -0.16 -3.40 0.03 0.00 0.02 0.00 0.00 34.50 30.99 1mt8 s PRO 63 CO 0.11 0.14 0.02 0.08 -0.33 0.00 0.00 177.00 177.02 1mt8 s VAL 64 N 0.33 0.05 -0.27 3.83 1.01 0.10 -4.19 120.40 121.26 1mt8 s VAL 64 Ca 0.46 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1mt8 s VAL 64 Cb -0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1mt8 s VAL 64 CO 0.27 0.12 0.11 -0.70 0.00 0.00 0.00 175.10 174.90 1mt8 s GLU 65 N 1.06 3.67 -0.37 2.72 2.12 -0.91 -0.94 118.70 126.05 1mt8 s GLU 65 Ca -0.09 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 1mt8 s GLU 65 Cb -0.13 -3.45 0.08 0.00 0.26 0.00 0.00 34.13 30.89 1mt8 s GLU 65 CO -0.02 -0.23 0.15 0.42 -0.54 0.00 0.00 175.26 175.04 1mt8 s ILE 66 N 1.65 3.50 -1.46 -3.70 1.01 0.48 -0.48 121.20 122.21 1mt8 s ILE 66 Ca 0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.09 1mt8 s ILE 66 Cb -0.16 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.18 1mt8 s ILE 66 CO 0.06 -0.41 0.55 0.00 0.00 0.00 0.00 174.94 175.14 1mt8 n GLY 68 N -1.82 3.07 3.71 0.00 0.00 -1.26 -5.02 105.19 103.87 1mt8 n GLY 68 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1mt8 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mt8 s HIS 69 N -1.81 3.52 0.13 1.61 4.02 -0.39 -5.04 115.29 117.33 1mt8 s HIS 69 Ca 0.00 1.03 -0.19 0.00 1.02 0.00 0.00 55.06 56.92 1mt8 s HIS 69 Cb 0.00 -2.67 -0.07 0.00 -1.02 0.00 0.00 32.58 28.81 1mt8 s HIS 69 CO 0.00 0.10 0.63 -1.59 1.02 0.00 0.00 174.74 174.90 1mt8 s LYS 70 N 0.83 4.22 0.05 1.40 0.00 -1.26 -0.39 119.74 124.59 1mt8 s LYS 70 Ca 0.31 0.78 -0.02 0.00 0.00 0.00 0.00 55.97 57.03 1mt8 s LYS 70 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 37.83 34.54 1mt8 s LYS 70 CO 0.13 0.55 0.01 0.00 0.00 0.00 0.00 175.35 176.04 1mt8 s ALA 71 N -1.27 0.27 -0.10 0.59 0.00 -0.12 -4.82 121.76 116.31 1mt8 s ALA 71 Ca 0.35 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.35 1mt8 s ALA 71 Cb -0.19 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.25 1mt8 s ALA 71 CO 0.21 -0.34 0.10 0.42 0.00 0.00 0.00 175.76 176.15 1mt8 s ILE 72 N -3.26 -0.15 0.00 0.00 1.01 -1.26 -0.72 121.20 116.82 1mt8 s ILE 72 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1mt8 s ILE 72 Cb 0.03 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1mt8 s ILE 72 CO -0.08 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1mt8 n GLY 73 N 5.30 1.01 3.75 6.18 0.00 -0.43 -4.81 105.19 116.18 1mt8 n GLY 73 Ca -0.05 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1mt8 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt8 s THR 74 N -2.29 2.97 -0.05 2.61 2.01 -1.26 -0.94 115.64 118.69 1mt8 s THR 74 Ca 0.00 0.86 0.01 0.00 0.31 0.00 0.00 61.69 62.87 1mt8 s THR 74 Cb 0.00 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1mt8 s THR 74 CO 0.00 0.16 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.34 1mt8 s VAL 75 N -0.34 0.65 -0.10 3.82 1.01 0.74 -4.58 120.40 121.60 1mt8 s VAL 75 Ca 0.54 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1mt8 s VAL 75 Cb -0.38 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1mt8 s VAL 75 CO 0.44 0.25 0.05 -0.76 0.00 0.00 0.00 175.10 175.08 1mt8 s LEU 76 N 0.90 3.89 -0.04 3.92 1.43 -0.08 -0.46 118.68 128.23 1mt8 s LEU 76 Ca -0.11 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1mt8 s LEU 76 Cb -0.15 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1mt8 s LEU 76 CO 0.01 0.39 -0.22 -0.69 0.23 0.00 0.00 176.35 176.06 1mt8 s VAL 77 N -0.95 1.81 -1.82 -1.59 1.01 0.12 -0.20 120.40 118.78 1mt8 s VAL 77 Ca 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1mt8 s VAL 77 Cb -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1mt8 s VAL 77 CO 0.03 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1mt8 n GLY 78 N 2.92 -1.59 2.60 4.51 0.00 -0.74 -0.12 105.19 112.78 1mt8 n GLY 78 Ca -0.17 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 1mt8 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mt8 n PRO 79 N -0.23 0.68 -3.00 1.61 -0.04 -1.26 -3.36 135.00 129.40 1mt8 n PRO 79 Ca 0.00 -0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 62.53 1mt8 n PRO 79 Cb 0.00 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 1mt8 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mt8 s THR 80 N 3.39 4.45 -0.30 0.52 -1.32 -1.26 -4.93 115.64 116.18 1mt8 s THR 80 Ca 0.16 1.49 0.24 0.00 -1.21 0.00 0.00 61.69 62.38 1mt8 s THR 80 Cb 0.06 -3.95 0.25 0.00 -1.51 0.00 0.00 72.50 67.35 1mt8 s THR 80 CO -0.01 0.25 1.73 1.55 -2.21 0.00 0.00 174.62 175.94 1mt8 h PRO 81 N 3.53 0.00 -2.38 7.08 0.13 -1.99 -3.45 132.00 134.92 1mt8 h PRO 81 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1mt8 h PRO 81 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1mt8 h PRO 81 CO 0.65 0.00 0.29 0.00 -0.23 0.00 0.00 178.00 178.71 1mt8 s ALA 82 N -3.45 -1.73 0.00 -0.56 0.00 -1.26 -5.11 121.76 109.65 1mt8 s ALA 82 Ca 0.01 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1mt8 s ALA 82 Cb 0.08 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1mt8 s ALA 82 CO 0.33 -0.57 1.19 -0.80 0.00 0.00 0.00 175.76 175.91 1mt8 s ASN 83 N -2.00 7.08 -0.02 0.00 0.01 -1.26 -4.72 114.94 114.04 1mt8 s ASN 83 Ca -0.03 1.91 0.01 0.00 -0.71 0.00 0.00 52.86 54.04 1mt8 s ASN 83 Cb -0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1mt8 s ASN 83 CO -0.03 -0.51 -0.03 0.27 -1.51 0.00 0.00 177.10 175.29 1mt8 s ILE 84 N 1.60 0.29 -0.29 0.60 -4.36 -0.18 -1.43 121.20 117.43 1mt8 s ILE 84 Ca 0.57 -0.08 -0.15 0.00 -0.26 0.00 0.00 60.65 60.73 1mt8 s ILE 84 Cb -0.27 -0.30 -0.03 0.00 1.25 0.00 0.00 42.46 43.11 1mt8 s ILE 84 CO 0.26 0.12 0.37 -0.63 0.24 0.00 0.00 174.94 175.30 1mt8 s ILE 85 N 0.38 5.17 0.37 8.37 -1.09 -0.55 -1.59 121.20 132.26 1mt8 s ILE 85 Ca -0.04 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.77 1mt8 s ILE 85 Cb -0.07 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.15 1mt8 s ILE 85 CO -0.01 0.07 0.51 0.61 -1.23 0.00 0.00 174.94 174.89 1mt8 n GLY 86 N 4.78 0.40 0.31 6.18 0.00 -1.16 -1.74 105.19 113.96 1mt8 n GLY 86 Ca -0.09 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.18 1mt8 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mt8 h ARG 87 N 0.00 0.00 -0.12 1.61 3.08 -1.13 -2.20 114.38 115.62 1mt8 h ARG 87 Ca -0.17 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1mt8 h ARG 87 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1mt8 h ARG 87 CO 0.17 0.02 -0.14 -2.95 -1.07 0.00 0.00 179.97 176.00 1mt8 h ASN 88 N 0.00 0.19 0.00 7.04 -1.07 -1.77 -2.70 115.58 117.27 1mt8 h ASN 88 Ca -0.00 -0.04 -0.10 0.00 0.07 0.00 0.00 56.30 56.23 1mt8 h ASN 88 Cb 0.17 -0.05 -0.02 0.00 -2.07 0.00 0.00 38.32 36.35 1mt8 h ASN 88 CO 0.00 0.35 -1.91 0.18 0.07 0.00 0.00 177.43 176.13 1mt8 n LEU 89 N -4.28 0.00 -0.14 6.14 4.77 -1.01 -4.26 117.00 118.22 1mt8 n LEU 89 Ca -0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 1mt8 n LEU 89 Cb 0.27 0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1mt8 n LEU 89 CO 0.38 0.14 0.82 -0.07 -1.33 0.00 0.00 177.39 177.32 1mt8 h LEU 90 N 0.00 0.88 -1.33 2.23 3.38 -1.37 -2.31 115.31 116.79 1mt8 h LEU 90 Ca -0.15 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1mt8 h LEU 90 Cb 1.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1mt8 h LEU 90 CO 0.01 0.97 -0.17 0.71 0.09 0.00 0.00 178.44 180.05 1mt8 h THR 91 N 0.82 1.20 -0.00 0.22 1.35 -1.68 -1.34 112.91 113.47 1mt8 h THR 91 Ca 0.14 -0.89 -0.08 0.00 -0.55 0.00 0.00 66.41 65.03 1mt8 h THR 91 Cb 0.56 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1mt8 h THR 91 CO 0.03 0.28 -0.36 1.56 -0.25 0.00 0.00 175.52 176.78 1mt8 h GLN 92 N 0.23 0.01 -0.60 4.72 4.20 -1.60 -2.33 115.11 119.74 1mt8 h GLN 92 Ca 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1mt8 h GLN 92 Cb 0.44 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1mt8 h GLN 92 CO 0.03 0.37 0.00 0.44 -0.67 0.00 0.00 178.83 179.00 1mt8 n ILE 93 N -4.11 2.58 -3.61 2.54 -5.35 -1.05 -4.94 119.36 105.42 1mt8 n ILE 93 Ca -0.02 -1.35 -0.20 0.00 -0.27 0.00 0.00 62.75 60.91 1mt8 n ILE 93 Cb 0.40 -0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.15 1mt8 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mt8 n GLY 94 N 0.73 -0.32 3.83 3.28 0.00 -0.88 -4.98 105.19 106.86 1mt8 n GLY 94 Ca 0.27 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 1mt8 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt8 s THR 96 N -1.15 0.16 -0.06 0.00 -4.23 -1.26 -4.70 115.64 104.40 1mt8 s THR 96 Ca 0.27 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 1mt8 s THR 96 Cb -0.17 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1mt8 s THR 96 CO 0.16 -0.47 0.05 -0.76 -0.54 0.00 0.00 174.62 173.06 1mt8 s LEU 97 N -3.06 3.83 -0.05 4.79 1.43 -1.26 -5.10 118.68 119.26 1mt8 s LEU 97 Ca 0.24 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1mt8 s LEU 97 Cb 0.07 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1mt8 s LEU 97 CO 0.02 0.35 0.14 0.20 0.23 0.00 0.00 176.35 177.29 1mt8 s ASN 98 N -1.21 -0.12 0.00 2.29 0.01 -1.26 -5.29 114.94 109.36 1mt8 s ASN 98 Ca 0.17 0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 1mt8 s ASN 98 Cb -0.12 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.83 1mt8 s ASN 98 CO 0.07 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.77