#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mt7 s GLN 2 N 0.00 3.89 -0.17 0.54 0.74 -1.26 -5.09 119.66 118.32 1mt7 s GLN 2 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.03 1mt7 s GLN 2 Cb 0.00 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1mt7 s GLN 2 CO 0.00 0.15 -0.16 0.42 -0.55 0.00 0.00 175.29 175.15 1mt7 s ILE 3 N 0.72 2.53 0.72 -2.34 1.01 -1.26 -5.12 121.20 117.46 1mt7 s ILE 3 Ca 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1mt7 s ILE 3 Cb -0.13 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.31 1mt7 s ILE 3 CO 0.02 0.51 1.06 0.42 0.00 0.00 0.00 174.94 176.95 1mt7 s THR 4 N 1.01 2.73 -0.23 2.92 -4.23 -1.26 -5.02 115.64 111.55 1mt7 s THR 4 Ca -0.02 0.04 0.12 0.00 -1.18 0.00 0.00 61.69 60.65 1mt7 s THR 4 Cb -0.15 -3.19 0.48 0.00 1.34 0.00 0.00 72.50 70.98 1mt7 s THR 4 CO -0.04 -0.23 1.39 0.18 -0.54 0.00 0.00 174.62 175.38 1mt7 n LEU 5 N -3.00 3.69 0.16 4.79 4.77 -1.26 -4.56 117.00 121.59 1mt7 n LEU 5 Ca 0.07 -3.50 0.02 0.00 -0.03 0.00 0.00 56.01 52.57 1mt7 n LEU 5 Cb 0.59 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 41.34 1mt7 n LEU 5 CO 0.55 1.05 0.57 -0.50 -1.33 0.00 0.00 177.39 177.73 1mt7 h TRP 6 N 1.08 0.00 -2.22 -1.77 4.06 -2.07 -3.44 115.95 111.59 1mt7 h TRP 6 Ca 0.11 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.48 1mt7 h TRP 6 Cb 1.45 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.47 1mt7 h TRP 6 CO 0.73 0.51 -0.72 0.15 -3.56 0.00 0.00 178.44 175.55 1mt7 s LYS 7 N -3.58 1.68 0.38 0.49 1.02 -1.26 -5.10 119.74 113.36 1mt7 s LYS 7 Ca -0.01 -1.81 -0.28 0.00 0.02 0.00 0.00 55.97 53.89 1mt7 s LYS 7 Cb 0.12 -1.63 -0.11 0.00 -0.52 0.00 0.00 37.83 35.69 1mt7 s LYS 7 CO 0.73 0.22 1.49 0.54 -0.92 0.00 0.00 175.35 177.42 1mt7 n ARG 8 N -0.65 2.69 -1.59 1.68 1.74 -1.26 -4.86 116.66 114.41 1mt7 n ARG 8 Ca -0.05 0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 57.56 1mt7 n ARG 8 Cb 0.62 -2.68 -0.01 0.00 -1.02 0.00 0.00 32.46 29.37 1mt7 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mt7 n PRO 9 N 0.43 2.87 -3.04 5.56 -0.04 -1.26 -4.94 135.00 134.58 1mt7 n PRO 9 Ca 0.01 -2.45 -0.39 0.00 -0.04 0.00 0.00 63.50 60.63 1mt7 n PRO 9 Cb 0.39 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 1mt7 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mt7 s LEU 10 N 1.73 4.51 0.11 1.53 1.43 -1.26 -1.28 118.68 125.46 1mt7 s LEU 10 Ca 0.52 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 1mt7 s LEU 10 Cb 0.15 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1mt7 s LEU 10 CO -0.07 0.13 0.08 0.68 0.23 0.00 0.00 176.35 177.41 1mt7 s VAL 11 N -0.63 0.13 -0.12 -1.59 -7.23 0.05 -4.97 120.40 106.05 1mt7 s VAL 11 Ca 0.36 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 1mt7 s VAL 11 Cb -0.21 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1mt7 s VAL 11 CO 0.23 -0.61 0.21 -0.89 -0.31 0.00 0.00 175.10 173.73 1mt7 s THR 12 N -3.98 5.38 0.22 5.32 2.01 -1.26 -0.73 115.64 122.60 1mt7 s THR 12 Ca 0.16 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.58 1mt7 s THR 12 Cb 0.07 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1mt7 s THR 12 CO -0.03 0.55 -0.06 0.27 -0.69 0.00 0.00 174.62 174.65 1mt7 s ILE 13 N -0.57 1.35 -0.11 1.82 -4.36 0.24 -2.32 121.20 117.25 1mt7 s ILE 13 Ca 0.15 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1mt7 s ILE 13 Cb -0.13 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.38 1mt7 s ILE 13 CO 0.04 -0.45 -0.14 -0.60 0.24 0.00 0.00 174.94 174.04 1mt7 s ARG 14 N -3.76 2.06 -0.10 0.37 3.52 -0.04 -1.03 118.95 119.97 1mt7 s ARG 14 Ca 0.25 -0.50 -0.08 0.00 -0.13 0.00 0.00 55.73 55.28 1mt7 s ARG 14 Cb 0.03 -1.81 0.03 0.00 -1.56 0.00 0.00 34.95 31.65 1mt7 s ARG 14 CO 0.08 -0.10 0.25 -1.50 -0.81 0.00 0.00 175.30 173.21 1mt7 s ILE 15 N 1.10 -0.01 -2.18 4.11 2.07 -0.29 -1.59 121.20 124.42 1mt7 s ILE 15 Ca -0.05 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1mt7 s ILE 15 Cb -0.14 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1mt7 s ILE 15 CO -0.03 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 1mt7 n GLY 16 N 3.25 1.86 2.13 1.50 0.00 -1.26 -0.68 105.19 111.99 1mt7 n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1mt7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt7 n GLY 17 N -0.41 0.83 3.51 -0.02 0.00 -1.26 -5.04 105.19 102.79 1mt7 n GLY 17 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1mt7 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mt7 s GLN 18 N -0.24 2.38 0.12 1.61 0.74 0.15 -5.11 119.66 119.30 1mt7 s GLN 18 Ca 0.00 -0.80 -0.18 0.00 0.05 0.00 0.00 55.36 54.43 1mt7 s GLN 18 Cb 0.00 -2.35 -0.07 0.00 1.10 0.00 0.00 33.01 31.69 1mt7 s GLN 18 CO 0.00 0.59 0.60 -0.51 -0.55 0.00 0.00 175.29 175.42 1mt7 s LEU 19 N -1.18 4.44 0.22 3.68 1.02 -1.26 -1.14 118.68 124.46 1mt7 s LEU 19 Ca 0.14 1.24 -0.10 0.00 0.02 0.00 0.00 54.13 55.44 1mt7 s LEU 19 Cb -0.11 -3.14 -0.01 0.00 0.02 0.00 0.00 46.19 42.95 1mt7 s LEU 19 CO 0.04 0.18 0.37 -0.54 0.02 0.00 0.00 176.35 176.42 1mt7 s LYS 20 N -1.53 1.40 -0.10 1.70 1.02 -0.20 -4.98 119.74 117.05 1mt7 s LYS 20 Ca 0.34 -1.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 1mt7 s LYS 20 Cb -0.18 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1mt7 s LYS 20 CO 0.20 -0.55 -0.06 -1.83 -0.92 0.00 0.00 175.35 172.19 1mt7 s GLU 21 N -4.03 3.05 0.12 1.68 4.04 -1.26 -0.59 118.70 121.70 1mt7 s GLU 21 Ca 0.24 -0.54 0.00 0.00 0.04 0.00 0.00 54.97 54.72 1mt7 s GLU 21 Cb 0.02 -2.69 -0.04 0.00 0.02 0.00 0.00 34.13 31.44 1mt7 s GLU 21 CO 0.08 0.53 -0.00 0.00 -1.84 0.00 0.00 175.26 174.02 1mt7 s ALA 22 N -0.43 0.93 -0.17 -0.84 0.00 0.09 -4.58 121.76 116.76 1mt7 s ALA 22 Ca 0.06 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 1mt7 s ALA 22 Cb -0.12 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1mt7 s ALA 22 CO 0.02 -0.37 -0.05 -1.17 0.00 0.00 0.00 175.76 174.20 1mt7 s LEU 23 N -3.05 3.10 -0.30 0.00 2.96 -0.03 -0.77 118.68 120.59 1mt7 s LEU 23 Ca 0.18 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.58 1mt7 s LEU 23 Cb 0.07 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1mt7 s LEU 23 CO -0.02 0.12 1.61 -0.76 -1.32 0.00 0.00 176.35 175.99 1mt7 s LEU 24 N 0.64 3.70 -0.37 -0.68 1.43 -0.40 -0.64 118.68 122.36 1mt7 s LEU 24 Ca -0.03 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 1mt7 s LEU 24 Cb -0.15 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.65 1mt7 s LEU 24 CO 0.02 -1.42 0.10 0.21 0.23 0.00 0.00 176.35 175.49 1mt7 s ASN 25 N 4.66 4.85 0.17 2.29 3.04 -0.05 -4.79 114.94 125.11 1mt7 s ASN 25 Ca 0.71 -2.20 0.21 0.00 0.04 0.00 0.00 52.86 51.63 1mt7 s ASN 25 Cb -0.21 -1.67 0.88 0.00 -1.54 0.00 0.00 41.25 38.70 1mt7 s ASN 25 CO 0.31 -0.40 1.66 0.35 -3.04 0.00 0.00 177.10 175.97 1mt7 n THR 26 N 4.24 0.82 0.05 -5.21 -2.24 -1.26 -2.27 114.28 108.41 1mt7 n THR 26 Ca 0.03 0.18 0.07 0.00 -2.27 0.00 0.00 64.05 62.06 1mt7 n THR 26 Cb 0.41 -1.04 0.26 0.00 -2.10 0.00 0.00 70.33 67.86 1mt7 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mt7 n GLY 27 N 0.17 1.91 3.14 3.38 0.00 -1.26 -4.83 105.19 107.70 1mt7 n GLY 27 Ca 0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1mt7 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt7 s ALA 28 N -1.69 2.02 0.21 4.61 0.00 -0.96 -5.00 121.76 120.95 1mt7 s ALA 28 Ca 0.37 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1mt7 s ALA 28 Cb 0.23 -0.89 0.17 0.00 0.00 0.00 0.00 23.12 22.63 1mt7 s ALA 28 CO 0.19 0.03 1.67 -0.44 0.00 0.00 0.00 175.76 177.20 1mt7 h ASP 29 N 7.21 0.90 -1.22 0.00 3.32 -1.88 0.73 116.42 125.48 1mt7 h ASP 29 Ca -0.29 -0.27 -0.64 0.00 0.02 0.00 0.00 57.03 55.85 1mt7 h ASP 29 Cb 1.20 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1mt7 h ASP 29 CO 0.51 1.00 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.66 1mt7 s ASP 30 N -6.65 4.00 -0.32 6.45 1.01 -1.26 -2.45 116.67 117.46 1mt7 s ASP 30 Ca -0.10 -1.44 -0.12 0.00 0.71 0.00 0.00 52.55 51.59 1mt7 s ASP 30 Cb 0.14 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.95 1mt7 s ASP 30 CO 0.84 -0.59 0.22 -0.89 0.21 0.00 0.00 175.17 174.95 1mt7 s THR 31 N -2.76 5.20 -0.13 -1.27 2.01 -1.26 -2.83 115.64 114.60 1mt7 s THR 31 Ca 0.26 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1mt7 s THR 31 Cb 0.07 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1mt7 s THR 31 CO 0.14 0.06 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.25 1mt7 s VAL 32 N 1.72 1.83 0.15 3.82 1.01 -0.85 0.04 120.40 128.12 1mt7 s VAL 32 Ca 0.06 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.30 1mt7 s VAL 32 Cb -0.17 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1mt7 s VAL 32 CO 0.10 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.74 1mt7 s LEU 33 N 0.90 2.59 0.87 3.92 1.43 0.69 -0.49 118.68 128.59 1mt7 s LEU 33 Ca -0.06 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 1mt7 s LEU 33 Cb -0.15 -1.39 0.12 0.00 0.03 0.00 0.00 46.19 44.79 1mt7 s LEU 33 CO -0.02 0.15 1.15 -1.61 0.23 0.00 0.00 176.35 176.25 1mt7 s GLU 34 N -2.37 1.35 -0.12 1.70 2.02 -1.26 -1.74 118.70 118.28 1mt7 s GLU 34 Ca 0.19 1.53 -0.41 0.00 0.02 0.00 0.00 54.97 56.29 1mt7 s GLU 34 Cb -0.09 -1.77 -0.19 0.00 0.10 0.00 0.00 34.13 32.17 1mt7 s GLU 34 CO 0.10 -2.38 1.25 -1.91 0.02 0.00 0.00 175.26 172.34 1mt7 n GLU 35 N -3.92 0.17 -3.74 1.61 4.07 -1.23 -4.63 120.64 112.97 1mt7 n GLU 35 Ca 0.12 0.06 -0.05 0.00 -0.06 0.00 0.00 57.16 57.23 1mt7 n GLU 35 Cb 0.52 -1.58 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 1mt7 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1mt7 s MET 36 N 0.88 1.30 -0.12 5.31 0.23 -1.26 -5.05 119.30 120.59 1mt7 s MET 36 Ca 0.94 -0.70 -0.11 0.00 -1.03 0.00 0.00 55.69 54.79 1mt7 s MET 36 Cb -1.28 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 32.43 1mt7 s MET 36 CO 0.62 -0.59 0.22 0.54 -2.03 0.00 0.00 175.02 173.78 1mt7 s ASN 37 N -2.89 6.44 -0.02 -1.18 4.22 -1.26 -5.06 114.94 115.19 1mt7 s ASN 37 Ca 0.11 0.52 0.01 0.00 -2.14 0.00 0.00 52.86 51.36 1mt7 s ASN 37 Cb -0.02 -2.13 0.01 0.00 1.28 0.00 0.00 41.25 40.38 1mt7 s ASN 37 CO 0.02 0.27 -0.05 -0.76 -2.04 0.00 0.00 177.10 174.54 1mt7 s LEU 38 N -0.39 1.75 0.54 3.54 1.43 -1.26 -5.00 118.68 119.28 1mt7 s LEU 38 Ca 0.16 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.95 1mt7 s LEU 38 Cb -0.13 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 1mt7 s LEU 38 CO 0.04 0.02 1.20 -2.16 0.23 0.00 0.00 176.35 175.68 1mt7 s PRO 39 N 0.25 3.31 0.00 1.29 0.04 -1.26 -4.89 135.00 133.74 1mt7 s PRO 39 Ca -0.03 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1mt7 s PRO 39 Cb -0.06 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1mt7 s PRO 39 CO -0.00 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1mt7 n GLY 40 N 0.44 -4.28 3.87 0.56 0.00 -1.26 -5.01 105.19 99.51 1mt7 n GLY 40 Ca 0.11 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1mt7 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt7 s LYS 41 N -0.99 3.69 0.10 1.61 0.00 -1.26 -5.09 119.74 117.79 1mt7 s LYS 41 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 55.97 56.57 1mt7 s LYS 41 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 37.83 35.61 1mt7 s LYS 41 CO 0.00 -0.36 0.10 1.67 0.00 0.00 0.00 175.35 176.76 1mt7 s TRP 42 N -2.86 0.50 0.05 1.78 1.48 -1.26 -4.55 118.94 114.07 1mt7 s TRP 42 Ca 0.54 -0.94 0.06 0.00 -1.06 0.00 0.00 56.10 54.69 1mt7 s TRP 42 Cb -0.11 -0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1mt7 s TRP 42 CO 0.44 -0.52 -0.16 0.15 -4.06 0.00 0.00 176.95 172.81 1mt7 s LYS 43 N -3.95 1.05 0.25 3.25 -0.14 -0.55 -4.88 119.74 114.76 1mt7 s LYS 43 Ca 0.13 -0.83 -0.30 0.00 -1.36 0.00 0.00 55.97 53.61 1mt7 s LYS 43 Cb 0.06 -1.10 -0.09 0.00 -1.68 0.00 0.00 37.83 35.02 1mt7 s LYS 43 CO -0.05 0.27 1.26 -2.14 -0.76 0.00 0.00 175.35 173.93 1mt7 s PRO 44 N -1.22 4.44 0.07 -1.68 0.02 -1.26 -0.22 135.00 135.14 1mt7 s PRO 44 Ca 0.03 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 62.99 1mt7 s PRO 44 Cb -0.08 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1mt7 s PRO 44 CO 0.02 -0.13 0.21 0.21 -0.33 0.00 0.00 177.00 176.97 1mt7 s LYS 45 N -0.80 0.81 -0.05 5.54 2.20 -0.51 -4.89 119.74 122.04 1mt7 s LYS 45 Ca 0.52 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 55.37 1mt7 s LYS 45 Cb -0.36 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 1mt7 s LYS 45 CO 0.42 -0.25 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.31 1mt7 s MET 46 N -3.38 2.10 0.19 4.03 -1.94 -1.26 -0.20 119.30 118.84 1mt7 s MET 46 Ca 0.01 -0.76 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 1mt7 s MET 46 Cb 0.03 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 34.99 1mt7 s MET 46 CO -0.08 0.33 -0.08 0.96 -0.01 0.00 0.00 175.02 176.13 1mt7 s ILE 47 N -0.12 1.29 0.10 2.53 -4.36 -0.71 -4.97 121.20 114.96 1mt7 s ILE 47 Ca -0.02 -2.09 0.06 0.00 -0.26 0.00 0.00 60.65 58.34 1mt7 s ILE 47 Cb -0.12 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1mt7 s ILE 47 CO 0.02 -0.58 -0.03 -0.83 0.24 0.00 0.00 174.94 173.76 1mt7 s GLY 48 N -3.25 1.87 0.17 6.27 0.00 -1.26 -1.41 107.32 109.70 1mt7 s GLY 48 Ca 0.22 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1mt7 s GLY 48 CO 0.05 -1.16 0.15 0.61 0.00 0.00 0.00 173.10 172.75 1mt7 n GLY 49 N 0.57 3.39 0.34 0.20 0.00 0.12 -4.98 105.19 104.84 1mt7 n GLY 49 Ca -0.12 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1mt7 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mt7 h ILE 50 N 1.55 1.01 -0.01 -0.61 6.09 -2.00 -2.70 117.51 120.83 1mt7 h ILE 50 Ca -0.12 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1mt7 h ILE 50 Cb 0.61 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1mt7 h ILE 50 CO 0.18 0.11 -0.60 0.61 -3.07 0.00 0.00 178.15 175.38 1mt7 n GLY 51 N -1.48 -0.45 0.00 8.18 0.00 -1.26 -5.08 105.19 105.11 1mt7 n GLY 51 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1mt7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mt7 n GLY 52 N 1.44 0.69 3.73 -0.02 0.00 -1.02 -5.12 105.19 104.90 1mt7 n GLY 52 Ca 0.08 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 1mt7 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mt7 s PHE 53 N -3.15 3.12 0.16 1.61 0.40 -1.26 0.16 117.98 119.02 1mt7 s PHE 53 Ca 0.00 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1mt7 s PHE 53 Cb 0.00 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1mt7 s PHE 53 CO 0.00 0.50 -0.02 0.96 0.70 0.00 0.00 175.22 177.36 1mt7 s ILE 54 N -1.29 0.74 -0.12 0.64 -4.36 -0.50 -4.98 121.20 111.33 1mt7 s ILE 54 Ca 0.26 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.58 1mt7 s ILE 54 Cb -0.12 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1mt7 s ILE 54 CO 0.18 -0.55 0.18 -0.54 0.24 0.00 0.00 174.94 174.45 1mt7 s LYS 55 N -3.89 3.64 0.21 0.37 1.02 -1.26 -1.73 119.74 118.10 1mt7 s LYS 55 Ca 0.22 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.14 1mt7 s LYS 55 Cb 0.06 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1mt7 s LYS 55 CO 0.03 0.68 0.11 0.14 -0.92 0.00 0.00 175.35 175.39 1mt7 s VAL 56 N -0.78 0.19 -0.20 3.17 -7.23 0.73 -4.47 120.40 111.81 1mt7 s VAL 56 Ca 0.15 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1mt7 s VAL 56 Cb -0.12 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1mt7 s VAL 56 CO 0.04 -0.03 0.03 -0.13 -0.31 0.00 0.00 175.10 174.71 1mt7 s ARG 57 N -4.11 3.76 -0.31 4.82 0.52 -0.14 -1.42 118.95 122.06 1mt7 s ARG 57 Ca 0.38 -0.45 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 1mt7 s ARG 57 Cb 0.07 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1mt7 s ARG 57 CO 0.12 0.09 0.27 -1.14 0.02 0.00 0.00 175.30 174.66 1mt7 s GLN 58 N 0.84 3.74 -0.16 3.54 0.74 0.69 -1.36 119.66 127.69 1mt7 s GLN 58 Ca 0.02 -0.38 -0.04 0.00 0.05 0.00 0.00 55.36 55.01 1mt7 s GLN 58 Cb -0.14 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 1mt7 s GLN 58 CO 0.02 -0.35 -0.02 0.71 -0.55 0.00 0.00 175.29 175.11 1mt7 s TYR 59 N 1.86 3.08 0.16 1.67 1.51 -0.67 -1.48 117.35 123.48 1mt7 s TYR 59 Ca 0.09 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.00 1mt7 s TYR 59 Cb -0.16 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1mt7 s TYR 59 CO 0.11 0.03 0.21 -0.51 -1.11 0.00 0.00 175.55 174.28 1mt7 s ASP 60 N 0.29 5.89 -1.40 2.29 1.01 -1.26 -1.17 116.67 122.31 1mt7 s ASP 60 Ca -0.02 -0.00 -0.03 0.00 0.71 0.00 0.00 52.55 53.22 1mt7 s ASP 60 Cb -0.14 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.16 1mt7 s ASP 60 CO 0.02 0.05 0.60 1.67 0.21 0.00 0.00 175.17 177.73 1mt7 n GLN 61 N -0.49 -4.11 -3.56 8.23 7.27 -1.20 -4.90 117.38 118.62 1mt7 n GLN 61 Ca -0.08 0.50 -0.37 0.00 0.07 0.00 0.00 57.00 57.13 1mt7 n GLN 61 Cb 0.55 -4.90 -0.08 0.00 2.41 0.00 0.00 30.24 28.21 1mt7 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1mt7 s ILE 62 N -3.75 5.30 0.19 1.69 -1.09 0.26 -4.68 121.20 119.13 1mt7 s ILE 62 Ca 0.12 0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 58.64 1mt7 s ILE 62 Cb -0.06 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 1mt7 s ILE 62 CO 0.86 0.32 1.36 -2.84 -1.23 0.00 0.00 174.94 173.41 1mt7 s PRO 63 N 1.03 4.35 -0.07 2.79 0.02 -1.26 -1.74 135.00 140.12 1mt7 s PRO 63 Ca 0.13 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.23 1mt7 s PRO 63 Cb -0.14 -3.19 0.04 0.00 0.02 0.00 0.00 34.50 31.24 1mt7 s PRO 63 CO 0.05 -0.33 0.13 0.08 -0.33 0.00 0.00 177.00 176.59 1mt7 s VAL 64 N 0.34 -0.17 -0.27 3.83 1.01 0.67 -4.43 120.40 121.38 1mt7 s VAL 64 Ca 0.59 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 1mt7 s VAL 64 Cb -0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1mt7 s VAL 64 CO 0.37 0.13 0.19 -0.70 0.00 0.00 0.00 175.10 175.09 1mt7 s GLU 65 N 1.92 3.98 -0.27 2.72 2.12 -0.62 -1.01 118.70 127.54 1mt7 s GLU 65 Ca -0.00 -0.30 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 1mt7 s GLU 65 Cb -0.12 -3.63 0.04 0.00 0.26 0.00 0.00 34.13 30.68 1mt7 s GLU 65 CO -0.05 -0.13 -0.04 0.42 -0.54 0.00 0.00 175.26 174.92 1mt7 s ILE 66 N 1.60 2.84 -1.40 -3.70 1.01 0.15 -0.86 121.20 120.85 1mt7 s ILE 66 Ca 0.07 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.40 1mt7 s ILE 66 Cb -0.15 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 39.85 1mt7 s ILE 66 CO 0.09 0.06 0.62 0.00 0.00 0.00 0.00 174.94 175.72 1mt7 n GLY 68 N -1.34 0.86 3.67 0.00 0.00 -1.26 -5.03 105.19 102.09 1mt7 n GLY 68 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1mt7 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mt7 s HIS 69 N -3.31 3.25 0.04 1.61 4.02 0.65 -5.09 115.29 116.45 1mt7 s HIS 69 Ca 0.00 0.13 -0.21 0.00 1.02 0.00 0.00 55.06 56.00 1mt7 s HIS 69 Cb 0.00 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.58 29.54 1mt7 s HIS 69 CO 0.00 0.31 0.63 -1.59 1.02 0.00 0.00 174.74 175.11 1mt7 s LYS 70 N -0.20 4.34 0.03 1.40 0.00 -1.26 0.35 119.74 124.40 1mt7 s LYS 70 Ca 0.07 0.83 -0.02 0.00 0.00 0.00 0.00 55.97 56.85 1mt7 s LYS 70 Cb -0.12 -3.31 -0.02 0.00 0.00 0.00 0.00 37.83 34.37 1mt7 s LYS 70 CO 0.02 0.44 0.01 0.00 0.00 0.00 0.00 175.35 175.81 1mt7 s ALA 71 N -0.47 0.17 -0.20 0.59 0.00 -0.18 -4.70 121.76 116.97 1mt7 s ALA 71 Ca 0.32 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1mt7 s ALA 71 Cb -0.19 0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.22 1mt7 s ALA 71 CO 0.19 -0.26 0.19 0.42 0.00 0.00 0.00 175.76 176.30 1mt7 s ILE 72 N -2.47 -0.27 0.00 0.00 1.01 -1.26 -0.24 121.20 117.97 1mt7 s ILE 72 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1mt7 s ILE 72 Cb -0.02 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1mt7 s ILE 72 CO -0.04 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.28 1mt7 n GLY 73 N 5.31 1.94 3.74 6.18 0.00 -0.71 -4.75 105.19 116.90 1mt7 n GLY 73 Ca -0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1mt7 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mt7 s THR 74 N -2.62 3.27 -0.06 2.61 2.01 -1.26 -0.57 115.64 119.01 1mt7 s THR 74 Ca 0.00 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1mt7 s THR 74 Cb 0.00 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1mt7 s THR 74 CO 0.00 0.19 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.39 1mt7 s VAL 75 N -0.22 0.60 -0.08 3.82 1.01 -0.32 -4.50 120.40 120.71 1mt7 s VAL 75 Ca 0.53 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1mt7 s VAL 75 Cb -0.35 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1mt7 s VAL 75 CO 0.40 0.26 0.14 -0.76 0.00 0.00 0.00 175.10 175.14 1mt7 s LEU 76 N 1.26 4.30 -0.12 3.92 1.43 0.11 -1.66 118.68 127.92 1mt7 s LEU 76 Ca -0.05 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1mt7 s LEU 76 Cb -0.14 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1mt7 s LEU 76 CO -0.02 0.36 -0.13 -0.69 0.23 0.00 0.00 176.35 176.09 1mt7 s VAL 77 N -1.12 1.41 0.00 -1.59 1.01 -0.47 -0.22 120.40 119.43 1mt7 s VAL 77 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1mt7 s VAL 77 Cb -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1mt7 s VAL 77 CO 0.09 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1mt7 n GLY 78 N 4.47 0.95 2.34 4.51 0.00 -0.71 -0.97 105.19 115.78 1mt7 n GLY 78 Ca -0.18 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1mt7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mt7 n PRO 79 N 0.00 1.37 -2.88 1.61 -0.04 -1.26 -3.53 135.00 130.27 1mt7 n PRO 79 Ca 0.00 -0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 62.31 1mt7 n PRO 79 Cb 0.00 -1.97 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 1mt7 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mt7 s THR 80 N 2.34 4.39 -0.42 0.52 -1.32 -1.26 -4.94 115.64 114.95 1mt7 s THR 80 Ca 0.37 1.51 0.24 0.00 -1.21 0.00 0.00 61.69 62.61 1mt7 s THR 80 Cb 0.15 -3.77 0.26 0.00 -1.51 0.00 0.00 72.50 67.63 1mt7 s THR 80 CO -0.01 -0.09 1.73 1.55 -2.21 0.00 0.00 174.62 175.59 1mt7 h PRO 81 N 2.55 0.00 -2.14 7.08 0.13 -1.97 -3.44 132.00 134.21 1mt7 h PRO 81 Ca -0.48 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1mt7 h PRO 81 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1mt7 h PRO 81 CO 0.63 0.00 0.39 0.00 -0.23 0.00 0.00 178.00 178.80 1mt7 s ALA 82 N -3.36 -1.80 0.01 -0.56 0.00 -1.26 -5.10 121.76 109.68 1mt7 s ALA 82 Ca 0.03 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1mt7 s ALA 82 Cb 0.09 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1mt7 s ALA 82 CO 0.39 -0.53 1.36 -0.80 0.00 0.00 0.00 175.76 176.18 1mt7 s ASN 83 N -1.86 6.89 0.03 0.00 0.01 -1.26 -4.69 114.94 114.05 1mt7 s ASN 83 Ca -0.01 2.09 0.05 0.00 -0.71 0.00 0.00 52.86 54.28 1mt7 s ASN 83 Cb -0.01 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 1mt7 s ASN 83 CO -0.03 -0.68 -0.16 0.27 -1.51 0.00 0.00 177.10 175.00 1mt7 s ILE 84 N 2.17 1.24 -0.34 0.60 -4.36 0.35 -0.85 121.20 120.01 1mt7 s ILE 84 Ca 0.63 -0.94 -0.11 0.00 -0.26 0.00 0.00 60.65 59.96 1mt7 s ILE 84 Cb -0.31 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.31 1mt7 s ILE 84 CO 0.26 0.14 0.20 -0.63 0.24 0.00 0.00 174.94 175.15 1mt7 s ILE 85 N -0.70 4.80 0.56 8.37 -1.09 0.19 -2.01 121.20 131.32 1mt7 s ILE 85 Ca 0.04 -0.52 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1mt7 s ILE 85 Cb -0.07 -3.54 0.11 0.00 -1.58 0.00 0.00 42.46 37.38 1mt7 s ILE 85 CO 0.01 -0.07 0.76 0.61 -1.23 0.00 0.00 174.94 175.02 1mt7 n GLY 86 N 5.03 0.33 0.33 6.18 0.00 -1.13 -0.87 105.19 115.05 1mt7 n GLY 86 Ca -0.13 -1.96 0.05 0.00 0.00 0.00 0.00 46.02 43.98 1mt7 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mt7 h ARG 87 N 0.00 0.62 -0.82 1.61 3.08 -0.85 -0.53 114.38 117.48 1mt7 h ARG 87 Ca -0.25 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.87 1mt7 h ARG 87 Cb 0.88 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1mt7 h ARG 87 CO 0.25 0.41 0.54 -2.95 -1.07 0.00 0.00 179.97 177.15 1mt7 h ASN 88 N 0.64 0.65 0.17 7.04 -0.00 -1.74 -1.24 115.58 121.09 1mt7 h ASN 88 Ca 0.21 0.02 -0.27 0.00 -0.00 0.00 0.00 56.30 56.25 1mt7 h ASN 88 Cb 0.04 -0.11 -0.05 0.00 -0.00 0.00 0.00 38.32 38.20 1mt7 h ASN 88 CO -0.05 0.37 -2.10 0.18 -0.00 0.00 0.00 177.43 175.83 1mt7 n LEU 89 N -4.52 0.24 -0.26 6.14 4.77 -0.96 -4.07 117.00 118.33 1mt7 n LEU 89 Ca 0.15 0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 1mt7 n LEU 89 Cb 0.38 0.32 0.16 0.00 -2.33 0.00 0.00 43.42 41.95 1mt7 n LEU 89 CO 0.31 0.36 1.17 -0.07 -1.33 0.00 0.00 177.39 177.83 1mt7 h LEU 90 N 0.00 0.98 -1.13 2.23 3.38 -0.74 -1.45 115.31 118.57 1mt7 h LEU 90 Ca -0.38 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1mt7 h LEU 90 Cb 1.94 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1mt7 h LEU 90 CO 0.03 0.79 -0.06 0.71 0.09 0.00 0.00 178.44 180.00 1mt7 h THR 91 N 1.11 1.22 0.00 0.22 1.35 -1.42 -1.69 112.91 113.70 1mt7 h THR 91 Ca 0.28 -0.92 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 1mt7 h THR 91 Cb 0.01 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1mt7 h THR 91 CO -0.05 0.31 -0.21 1.56 -0.25 0.00 0.00 175.52 176.88 1mt7 h GLN 92 N 0.50 0.00 -0.53 4.72 4.20 -1.41 -2.14 115.11 120.45 1mt7 h GLN 92 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1mt7 h GLN 92 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1mt7 h GLN 92 CO 0.02 0.21 0.00 0.44 -0.67 0.00 0.00 178.83 178.83 1mt7 n ILE 93 N -4.26 0.70 -1.87 2.54 -5.35 -1.08 -4.91 119.36 105.13 1mt7 n ILE 93 Ca -0.02 -0.79 -0.06 0.00 -0.27 0.00 0.00 62.75 61.60 1mt7 n ILE 93 Cb 0.27 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 38.78 1mt7 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mt7 n GLY 94 N 1.50 0.31 3.74 3.28 0.00 -0.80 -5.02 105.19 108.20 1mt7 n GLY 94 Ca 0.21 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1mt7 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mt7 s THR 96 N -0.36 0.27 -0.12 0.00 -4.23 -1.26 -4.66 115.64 105.27 1mt7 s THR 96 Ca 0.48 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1mt7 s THR 96 Cb -0.29 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1mt7 s THR 96 CO 0.35 -0.62 0.10 -0.76 -0.54 0.00 0.00 174.62 173.14 1mt7 s LEU 97 N -3.04 4.13 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.61 1mt7 s LEU 97 Ca 0.19 0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1mt7 s LEU 97 Cb 0.07 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1mt7 s LEU 97 CO -0.01 0.38 0.03 0.20 0.23 0.00 0.00 176.35 177.17 1mt7 s ASN 98 N -0.86 0.02 0.00 2.29 0.01 -1.26 -5.29 114.94 109.85 1mt7 s ASN 98 Ca 0.14 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 1mt7 s ASN 98 Cb -0.12 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1mt7 s ASN 98 CO 0.03 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.78