#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mtr s GLN 2 N 0.00 3.39 -0.18 0.54 0.74 -1.26 -5.09 119.66 117.80 1mtr s GLN 2 Ca 0.00 -0.62 -0.02 0.00 0.05 0.00 0.00 55.36 54.77 1mtr s GLN 2 Cb 0.00 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 1mtr s GLN 2 CO 0.00 -0.21 -0.09 0.42 -0.55 0.00 0.00 175.29 174.86 1mtr s ILE 3 N 1.49 3.14 0.66 -2.34 1.01 -1.26 -5.11 121.20 118.80 1mtr s ILE 3 Ca 0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1mtr s ILE 3 Cb -0.14 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 39.98 1mtr s ILE 3 CO -0.02 0.47 0.98 0.42 0.00 0.00 0.00 174.94 176.79 1mtr s THR 4 N 1.01 2.89 -0.23 2.92 -4.23 -1.26 -5.04 115.64 111.71 1mtr s THR 4 Ca -0.01 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.54 1mtr s THR 4 Cb -0.15 -3.21 0.52 0.00 1.34 0.00 0.00 72.50 71.00 1mtr s THR 4 CO -0.01 -0.23 1.46 0.18 -0.54 0.00 0.00 174.62 175.48 1mtr n LEU 5 N -2.81 4.08 0.22 4.79 4.77 -1.26 -4.50 117.00 122.29 1mtr n LEU 5 Ca 0.07 -3.34 0.09 0.00 -0.03 0.00 0.00 56.01 52.80 1mtr n LEU 5 Cb 0.59 -0.59 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 1mtr n LEU 5 CO 0.53 0.92 0.78 -0.50 -1.33 0.00 0.00 177.39 177.79 1mtr h TRP 6 N 1.42 0.00 -2.61 -1.77 4.06 -2.06 -3.43 115.95 111.56 1mtr h TRP 6 Ca 0.11 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.56 1mtr h TRP 6 Cb 1.58 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.61 1mtr h TRP 6 CO 0.74 0.25 -0.66 0.15 -3.56 0.00 0.00 178.44 175.37 1mtr s LYS 7 N -3.65 1.60 0.27 0.49 1.02 -1.26 -5.10 119.74 113.11 1mtr s LYS 7 Ca 0.00 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 53.86 1mtr s LYS 7 Cb 0.10 -1.14 -0.11 0.00 -0.52 0.00 0.00 37.83 36.17 1mtr s LYS 7 CO 0.65 -0.01 1.53 1.03 -0.92 0.00 0.00 175.35 177.63 1mtr s ARG 8 N -3.75 4.18 -1.23 1.68 0.52 -1.26 -4.86 118.95 114.23 1mtr s ARG 8 Ca 0.31 2.47 -0.19 0.00 -0.52 0.00 0.00 55.73 57.80 1mtr s ARG 8 Cb 0.05 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 1mtr s ARG 8 CO 0.13 -0.55 1.92 -0.35 0.02 0.00 0.00 175.30 176.48 1mtr n PRO 9 N 2.25 2.49 -3.65 3.54 -0.04 -1.26 -4.94 135.00 133.40 1mtr n PRO 9 Ca 0.08 -2.72 -0.37 0.00 -0.04 0.00 0.00 63.50 60.45 1mtr n PRO 9 Cb 0.39 -3.42 -0.07 0.00 -0.04 0.00 0.00 33.50 30.36 1mtr n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mtr s LEU 10 N 4.90 4.33 0.16 1.53 1.43 -1.26 -1.77 118.68 128.00 1mtr s LEU 10 Ca 0.56 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1mtr s LEU 10 Cb 0.07 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1mtr s LEU 10 CO 0.06 0.24 0.05 0.68 0.23 0.00 0.00 176.35 177.61 1mtr s VAL 11 N -0.27 0.34 0.04 -1.59 -7.23 -0.35 -4.94 120.40 106.41 1mtr s VAL 11 Ca 0.16 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 1mtr s VAL 11 Cb -0.13 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.59 1mtr s VAL 11 CO 0.05 -0.39 0.48 -0.89 -0.31 0.00 0.00 175.10 174.04 1mtr s THR 12 N -3.89 4.91 0.14 5.32 2.01 -1.26 -0.49 115.64 122.37 1mtr s THR 12 Ca 0.26 0.97 0.05 0.00 0.31 0.00 0.00 61.69 63.29 1mtr s THR 12 Cb 0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1mtr s THR 12 CO 0.04 0.54 -0.12 0.27 -0.69 0.00 0.00 174.62 174.66 1mtr s ILE 13 N -1.13 1.24 -0.16 1.82 -4.36 0.33 -4.64 121.20 114.30 1mtr s ILE 13 Ca 0.27 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1mtr s ILE 13 Cb -0.18 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 41.88 1mtr s ILE 13 CO 0.16 -0.59 -0.21 -0.60 0.24 0.00 0.00 174.94 173.95 1mtr s ARG 14 N -3.20 3.01 -0.07 0.37 3.52 -0.26 -0.84 118.95 121.48 1mtr s ARG 14 Ca 0.13 -0.84 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 1mtr s ARG 14 Cb -0.01 -2.50 0.03 0.00 -1.56 0.00 0.00 34.95 30.91 1mtr s ARG 14 CO 0.02 -0.10 0.17 -1.50 -0.81 0.00 0.00 175.30 173.08 1mtr s ILE 15 N 1.02 -0.03 -1.87 4.11 2.07 0.77 -1.70 121.20 125.57 1mtr s ILE 15 Ca -0.02 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1mtr s ILE 15 Cb -0.14 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.19 1mtr s ILE 15 CO -0.07 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 1mtr n GLY 16 N 3.66 0.06 2.88 1.50 0.00 -1.26 -0.36 105.19 111.67 1mtr n GLY 16 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1mtr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtr n GLY 17 N -0.89 0.77 3.44 -0.02 0.00 -1.26 -5.02 105.19 102.22 1mtr n GLY 17 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1mtr n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mtr s GLN 18 N -0.15 2.26 -0.00 1.61 0.74 0.51 -5.09 119.66 119.54 1mtr s GLN 18 Ca 0.00 -0.85 -0.22 0.00 0.05 0.00 0.00 55.36 54.34 1mtr s GLN 18 Cb 0.00 -2.25 -0.05 0.00 1.10 0.00 0.00 33.01 31.81 1mtr s GLN 18 CO 0.00 0.58 0.64 -0.51 -0.55 0.00 0.00 175.29 175.45 1mtr s LEU 19 N -1.02 4.41 0.17 3.68 1.02 -1.26 -0.16 118.68 125.52 1mtr s LEU 19 Ca 0.13 1.22 -0.04 0.00 0.02 0.00 0.00 54.13 55.46 1mtr s LEU 19 Cb -0.10 -3.00 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 1mtr s LEU 19 CO 0.02 0.06 0.18 -0.54 0.02 0.00 0.00 176.35 176.09 1mtr s LYS 20 N -0.05 1.13 -0.16 1.70 1.02 -0.02 -4.96 119.74 118.41 1mtr s LYS 20 Ca 0.33 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 54.83 1mtr s LYS 20 Cb -0.19 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1mtr s LYS 20 CO 0.18 -0.38 0.09 -1.21 -0.92 0.00 0.00 175.35 173.11 1mtr s GLU 21 N -4.06 3.79 0.04 1.68 0.41 -1.26 -0.52 118.70 118.78 1mtr s GLU 21 Ca 0.27 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 1mtr s GLU 21 Cb 0.05 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1mtr s GLU 21 CO 0.05 0.44 -0.04 0.00 -0.49 0.00 0.00 175.26 175.22 1mtr s ALA 22 N -0.09 0.43 -0.16 5.21 0.00 0.36 -4.31 121.76 123.19 1mtr s ALA 22 Ca 0.08 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 1mtr s ALA 22 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1mtr s ALA 22 CO 0.01 -0.20 0.36 -1.17 0.00 0.00 0.00 175.76 174.76 1mtr s LEU 23 N -2.08 4.23 -0.49 0.00 2.96 0.56 -1.21 118.68 122.64 1mtr s LEU 23 Ca -0.05 0.58 -0.27 0.00 -0.22 0.00 0.00 54.13 54.17 1mtr s LEU 23 Cb -0.03 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 44.20 1mtr s LEU 23 CO -0.04 0.03 1.05 -0.76 -1.32 0.00 0.00 176.35 175.32 1mtr s LEU 24 N 0.72 3.78 -0.33 -0.68 1.43 -0.73 -0.19 118.68 122.68 1mtr s LEU 24 Ca 0.19 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1mtr s LEU 24 Cb -0.14 -3.33 0.10 0.00 0.03 0.00 0.00 46.19 42.85 1mtr s LEU 24 CO 0.06 -1.21 0.03 -0.62 0.23 0.00 0.00 176.35 174.85 1mtr s ASP 25 N 2.47 4.71 0.15 2.29 -1.08 -0.46 -4.81 116.67 119.94 1mtr s ASP 25 Ca 0.42 -2.06 0.21 0.00 -0.52 0.00 0.00 52.55 50.60 1mtr s ASP 25 Cb -0.09 -1.60 0.85 0.00 -1.46 0.00 0.00 42.92 40.62 1mtr s ASP 25 CO 0.28 -0.36 1.64 0.35 0.52 0.00 0.00 175.17 177.60 1mtr n THR 26 N 4.29 0.83 1.32 1.71 -2.24 -1.26 -1.89 114.28 117.03 1mtr n THR 26 Ca 0.02 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1mtr n THR 26 Cb 0.42 -1.03 0.48 0.00 -2.10 0.00 0.00 70.33 68.10 1mtr n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mtr n GLY 27 N 0.17 -0.74 3.60 3.38 0.00 -1.26 -4.80 105.19 105.54 1mtr n GLY 27 Ca 0.03 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1mtr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtr s ALA 28 N -2.48 3.54 0.15 4.61 0.00 -0.79 -4.96 121.76 121.82 1mtr s ALA 28 Ca 0.26 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1mtr s ALA 28 Cb 0.20 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1mtr s ALA 28 CO 0.50 -0.54 1.60 -0.44 0.00 0.00 0.00 175.76 176.88 1mtr h ASP 29 N 8.28 0.83 -1.51 0.00 3.32 -1.87 0.35 116.42 125.83 1mtr h ASP 29 Ca -0.35 -0.30 -0.57 0.00 0.02 0.00 0.00 57.03 55.83 1mtr h ASP 29 Cb 1.18 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.42 1mtr h ASP 29 CO 0.57 0.93 -0.49 -1.81 -1.72 0.00 0.00 179.24 176.72 1mtr s ASP 30 N -6.33 4.39 -0.27 6.45 1.01 -1.26 -2.63 116.67 118.03 1mtr s ASP 30 Ca -0.12 -1.12 -0.10 0.00 0.71 0.00 0.00 52.55 51.91 1mtr s ASP 30 Cb 0.11 -0.40 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 1mtr s ASP 30 CO 0.82 -0.57 0.17 -0.89 0.21 0.00 0.00 175.17 174.90 1mtr s THR 31 N -2.62 5.13 -0.16 -1.27 2.01 -1.26 -3.30 115.64 114.16 1mtr s THR 31 Ca 0.39 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.52 1mtr s THR 31 Cb 0.04 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1mtr s THR 31 CO 0.22 0.27 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.52 1mtr s VAL 32 N 1.70 2.11 -0.01 3.82 1.01 -0.54 -0.67 120.40 127.83 1mtr s VAL 32 Ca 0.07 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1mtr s VAL 32 Cb -0.16 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1mtr s VAL 32 CO 0.09 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.98 1mtr s ILE 33 N 1.08 3.22 0.84 2.22 -1.09 0.12 -0.40 121.20 127.19 1mtr s ILE 33 Ca -0.00 -0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 57.42 1mtr s ILE 33 Cb -0.14 -2.34 0.07 0.00 -1.58 0.00 0.00 42.46 38.47 1mtr s ILE 33 CO -0.08 0.45 0.98 -1.84 -1.23 0.00 0.00 174.94 173.22 1mtr n GLU 34 N 1.82 0.01 -1.66 2.79 0.28 -1.26 -1.41 120.64 121.21 1mtr n GLU 34 Ca -0.16 0.07 -0.48 0.00 -0.16 0.00 0.00 57.16 56.43 1mtr n GLU 34 Cb 0.52 -2.26 -0.05 0.00 1.43 0.00 0.00 31.44 31.09 1mtr n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1mtr n GLU 35 N -2.88 1.92 -3.60 3.44 1.02 -1.19 -4.55 120.64 114.80 1mtr n GLU 35 Ca 0.12 0.70 -0.09 0.00 -0.02 0.00 0.00 57.16 57.86 1mtr n GLU 35 Cb 0.51 -2.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.45 1mtr n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mtr s MET 36 N 1.87 1.40 -0.26 3.49 0.23 -1.26 -5.04 119.30 119.73 1mtr s MET 36 Ca 0.85 -0.64 -0.20 0.00 -1.03 0.00 0.00 55.69 54.67 1mtr s MET 36 Cb -0.76 0.56 -0.02 0.00 -1.53 0.00 0.00 34.83 33.09 1mtr s MET 36 CO 0.45 -0.62 0.62 -0.80 -2.03 0.00 0.00 175.02 172.63 1mtr s ASN 37 N -2.79 6.56 -0.07 -1.18 0.01 -1.26 -5.03 114.94 111.17 1mtr s ASN 37 Ca 0.05 0.67 0.05 0.00 -0.71 0.00 0.00 52.86 52.92 1mtr s ASN 37 Cb -0.03 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 1mtr s ASN 37 CO -0.05 -0.37 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.16 1mtr s LEU 38 N 2.49 2.07 0.38 0.60 1.43 -1.26 -5.00 118.68 119.40 1mtr s LEU 38 Ca 0.26 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 1mtr s LEU 38 Cb -0.15 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 1mtr s LEU 38 CO 0.09 0.21 1.27 -2.16 0.23 0.00 0.00 176.35 175.99 1mtr s PRO 39 N 0.04 4.11 0.00 1.29 0.04 -1.26 -4.87 135.00 134.35 1mtr s PRO 39 Ca -0.10 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1mtr s PRO 39 Cb -0.15 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1mtr s PRO 39 CO 0.06 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1mtr n GLY 40 N 0.72 2.75 3.88 0.56 0.00 -1.26 -5.06 105.19 106.78 1mtr n GLY 40 Ca 0.03 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 1mtr n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mtr s LYS 41 N -2.17 3.43 -0.02 1.61 3.01 -1.26 -5.09 119.74 119.24 1mtr s LYS 41 Ca 0.00 0.59 -0.12 0.00 -1.01 0.00 0.00 55.97 55.43 1mtr s LYS 41 Cb 0.00 -2.12 0.02 0.00 -1.01 0.00 0.00 37.83 34.72 1mtr s LYS 41 CO 0.00 -0.61 0.24 1.67 0.51 0.00 0.00 175.35 177.16 1mtr s TRP 42 N -3.15 -0.11 -0.06 3.18 1.48 -1.26 -4.53 118.94 114.49 1mtr s TRP 42 Ca 0.54 0.17 0.04 0.00 -1.06 0.00 0.00 56.10 55.79 1mtr s TRP 42 Cb -0.11 0.05 -0.02 0.00 -1.16 0.00 0.00 33.47 32.23 1mtr s TRP 42 CO 0.52 -0.33 -0.17 0.15 -4.06 0.00 0.00 176.95 173.06 1mtr s LYS 43 N -1.19 2.65 0.42 3.25 -0.14 -0.63 -4.86 119.74 119.22 1mtr s LYS 43 Ca -0.13 -0.76 -0.25 0.00 -1.36 0.00 0.00 55.97 53.48 1mtr s LYS 43 Cb -0.06 -2.36 -0.08 0.00 -1.68 0.00 0.00 37.83 33.66 1mtr s LYS 43 CO 0.03 0.49 1.18 -2.14 -0.76 0.00 0.00 175.35 174.15 1mtr s PRO 44 N -0.39 3.97 0.14 -1.68 0.02 -1.26 0.29 135.00 136.08 1mtr s PRO 44 Ca 0.04 1.85 -0.10 0.00 0.02 0.00 0.00 61.00 62.81 1mtr s PRO 44 Cb -0.12 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.78 1mtr s PRO 44 CO 0.02 -0.40 0.28 0.21 -0.33 0.00 0.00 177.00 176.78 1mtr s LYS 45 N -2.39 1.06 -0.06 5.54 2.20 0.05 -4.83 119.74 121.29 1mtr s LYS 45 Ca 0.59 -1.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1mtr s LYS 45 Cb -0.31 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.41 1mtr s LYS 45 CO 0.39 -0.38 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.22 1mtr s MET 46 N -3.91 1.79 0.11 4.03 -1.94 -1.26 -0.48 119.30 117.65 1mtr s MET 46 Ca 0.11 -0.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1mtr s MET 46 Cb 0.03 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 1mtr s MET 46 CO -0.05 0.08 -0.12 0.96 -0.01 0.00 0.00 175.02 175.88 1mtr s ILE 47 N 0.51 1.14 0.08 2.53 -4.36 -1.01 -4.97 121.20 115.11 1mtr s ILE 47 Ca -0.13 -1.70 0.05 0.00 -0.26 0.00 0.00 60.65 58.62 1mtr s ILE 47 Cb -0.15 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1mtr s ILE 47 CO 0.04 -0.50 -0.15 -0.83 0.24 0.00 0.00 174.94 173.74 1mtr s GLY 48 N -2.48 0.90 0.00 6.27 0.00 -1.26 -0.92 107.32 109.83 1mtr s GLY 48 Ca 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1mtr s GLY 48 CO 0.02 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.66 1mtr n GLY 49 N 1.21 5.37 3.77 0.20 0.00 -0.30 -4.95 105.19 110.49 1mtr n GLY 49 Ca -0.21 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 1mtr n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mtr s ILE 50 N -0.84 3.19 0.00 -0.61 -5.25 -1.26 -2.44 121.20 113.99 1mtr s ILE 50 Ca 0.00 1.05 0.00 0.00 -0.99 0.00 0.00 60.65 60.71 1mtr s ILE 50 Cb 0.00 -3.61 0.00 0.00 2.95 0.00 0.00 42.46 41.80 1mtr s ILE 50 CO 0.00 0.14 0.00 0.61 -1.79 0.00 0.00 174.94 173.90 1mtr n GLY 51 N 0.72 3.11 0.00 6.27 0.00 -1.26 -4.99 105.19 109.05 1mtr n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mtr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mtr n GLY 52 N -0.55 0.84 3.84 -0.02 0.00 -1.02 -5.08 105.19 103.20 1mtr n GLY 52 Ca 0.00 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 1mtr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mtr s PHE 53 N -1.24 3.70 0.28 1.61 0.40 -1.26 -1.15 117.98 120.32 1mtr s PHE 53 Ca 0.00 0.95 0.06 0.00 -0.60 0.00 0.00 56.93 57.34 1mtr s PHE 53 Cb 0.00 -2.26 -0.06 0.00 0.51 0.00 0.00 43.02 41.22 1mtr s PHE 53 CO 0.00 0.63 -0.06 0.96 0.70 0.00 0.00 175.22 177.45 1mtr s ILE 54 N -1.13 1.61 -0.14 0.64 -4.36 -0.10 -4.98 121.20 112.75 1mtr s ILE 54 Ca 0.25 -2.12 -0.09 0.00 -0.26 0.00 0.00 60.65 58.43 1mtr s ILE 54 Cb -0.16 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 1mtr s ILE 54 CO 0.14 -0.30 0.18 -0.54 0.24 0.00 0.00 174.94 174.65 1mtr s LYS 55 N -3.73 3.78 0.17 0.37 1.02 -1.26 -2.41 119.74 117.68 1mtr s LYS 55 Ca 0.29 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.22 1mtr s LYS 55 Cb 0.04 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1mtr s LYS 55 CO 0.12 0.58 -0.02 0.14 -0.92 0.00 0.00 175.35 175.25 1mtr s VAL 56 N -0.48 0.79 -0.20 3.17 -7.23 0.37 -4.54 120.40 112.29 1mtr s VAL 56 Ca 0.14 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1mtr s VAL 56 Cb -0.12 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 1mtr s VAL 56 CO 0.03 -0.52 0.04 -0.13 -0.31 0.00 0.00 175.10 174.21 1mtr s ARG 57 N -3.88 3.80 -0.29 4.82 0.52 -0.16 -0.77 118.95 122.98 1mtr s ARG 57 Ca 0.23 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.85 1mtr s ARG 57 Cb 0.05 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1mtr s ARG 57 CO 0.03 0.12 0.39 -1.14 0.02 0.00 0.00 175.30 174.73 1mtr s GLN 58 N 0.77 3.90 -0.16 3.54 0.74 0.14 -1.14 119.66 127.45 1mtr s GLN 58 Ca 0.02 -0.05 -0.04 0.00 0.05 0.00 0.00 55.36 55.35 1mtr s GLN 58 Cb -0.14 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1mtr s GLN 58 CO 0.02 -0.37 -0.03 0.71 -0.55 0.00 0.00 175.29 175.07 1mtr s TYR 59 N 2.11 3.03 0.17 1.67 1.51 -0.33 -1.61 117.35 123.90 1mtr s TYR 59 Ca 0.15 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1mtr s TYR 59 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1mtr s TYR 59 CO 0.11 -0.06 0.22 -0.51 -1.11 0.00 0.00 175.55 174.20 1mtr s ASP 60 N 0.44 5.95 -1.49 2.29 1.01 -1.26 -0.76 116.67 122.84 1mtr s ASP 60 Ca -0.03 0.01 -0.03 0.00 0.71 0.00 0.00 52.55 53.21 1mtr s ASP 60 Cb -0.14 -1.68 0.03 0.00 1.01 0.00 0.00 42.92 42.14 1mtr s ASP 60 CO 0.03 0.04 0.35 1.67 0.21 0.00 0.00 175.17 177.47 1mtr n GLN 61 N -0.58 -2.58 -3.36 8.23 7.27 -1.13 -4.87 117.38 120.36 1mtr n GLN 61 Ca -0.08 0.31 -0.38 0.00 0.07 0.00 0.00 57.00 56.92 1mtr n GLN 61 Cb 0.55 -4.35 -0.07 0.00 2.41 0.00 0.00 30.24 28.78 1mtr n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1mtr s ILE 62 N -3.98 5.19 0.18 1.69 -1.09 0.79 -4.65 121.20 119.33 1mtr s ILE 62 Ca 0.11 0.79 -0.30 0.00 -2.23 0.00 0.00 60.65 59.02 1mtr s ILE 62 Cb -0.06 -3.76 -0.08 0.00 -1.58 0.00 0.00 42.46 36.98 1mtr s ILE 62 CO 0.93 0.27 1.21 -2.84 -1.23 0.00 0.00 174.94 173.29 1mtr s PRO 63 N 1.08 4.47 -0.04 2.79 0.02 -1.26 -0.66 135.00 141.41 1mtr s PRO 63 Ca 0.21 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 63.11 1mtr s PRO 63 Cb -0.15 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.16 1mtr s PRO 63 CO 0.08 -0.13 0.07 0.08 -0.33 0.00 0.00 177.00 176.78 1mtr s VAL 64 N 0.07 -0.09 -0.26 3.83 1.01 0.13 -4.51 120.40 120.59 1mtr s VAL 64 Ca 0.54 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.70 1mtr s VAL 64 Cb -0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1mtr s VAL 64 CO 0.36 0.11 0.12 -0.70 0.00 0.00 0.00 175.10 175.00 1mtr s GLU 65 N 1.44 3.82 -0.34 2.72 2.12 -0.69 -1.29 118.70 126.48 1mtr s GLU 65 Ca -0.05 -0.39 0.07 0.00 0.36 0.00 0.00 54.97 54.96 1mtr s GLU 65 Cb -0.12 -3.47 0.51 0.00 0.26 0.00 0.00 34.13 31.31 1mtr s GLU 65 CO -0.04 -0.15 1.52 -0.89 -0.54 0.00 0.00 175.26 175.16 1mtr n ILE 66 N 4.87 2.71 0.00 -3.70 5.41 -1.26 -1.10 119.36 126.29 1mtr n ILE 66 Ca -0.15 -2.91 0.00 0.00 1.00 0.00 0.00 62.75 60.69 1mtr n ILE 66 Cb 0.52 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1mtr n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mtr n GLY 68 N -1.06 0.00 3.79 7.39 0.00 -1.26 -4.73 105.19 109.31 1mtr n GLY 68 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1mtr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mtr s HIS 69 N 0.00 3.50 0.14 1.61 4.02 -1.26 -5.08 115.29 118.22 1mtr s HIS 69 Ca 0.00 0.47 -0.17 0.00 1.02 0.00 0.00 55.06 56.38 1mtr s HIS 69 Cb 0.00 -2.11 -0.07 0.00 -1.02 0.00 0.00 32.58 29.38 1mtr s HIS 69 CO 0.00 0.46 0.59 0.21 1.02 0.00 0.00 174.74 177.02 1mtr s LYS 70 N -0.20 4.10 0.03 1.40 2.47 -1.26 -4.28 119.74 121.98 1mtr s LYS 70 Ca 0.12 0.63 -0.03 0.00 -1.56 0.00 0.00 55.97 55.13 1mtr s LYS 70 Cb -0.12 -3.01 -0.02 0.00 -1.46 0.00 0.00 37.83 33.22 1mtr s LYS 70 CO 0.02 0.51 0.04 0.00 0.16 0.00 0.00 175.35 176.08 1mtr s ALA 71 N -1.37 0.02 -0.20 3.13 0.00 -0.41 -4.69 121.76 118.24 1mtr s ALA 71 Ca 0.36 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1mtr s ALA 71 Cb -0.17 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.21 1mtr s ALA 71 CO 0.19 -0.24 0.09 0.42 0.00 0.00 0.00 175.76 176.22 1mtr s ILE 72 N -2.09 0.04 0.00 0.00 1.01 -1.26 -0.69 121.20 118.21 1mtr s ILE 72 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1mtr s ILE 72 Cb -0.05 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1mtr s ILE 72 CO -0.03 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1mtr n GLY 73 N 5.23 2.09 3.71 6.18 0.00 0.17 -4.76 105.19 117.81 1mtr n GLY 73 Ca -0.07 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1mtr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mtr s THR 74 N -2.92 4.13 -0.04 2.61 2.01 -1.26 -0.15 115.64 120.01 1mtr s THR 74 Ca 0.00 1.53 0.04 0.00 0.31 0.00 0.00 61.69 63.57 1mtr s THR 74 Cb 0.00 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 1mtr s THR 74 CO 0.00 0.12 -0.15 0.68 -0.69 0.00 0.00 174.62 174.58 1mtr s VAL 75 N 1.03 1.27 -0.19 3.82 -7.23 0.06 -4.52 120.40 114.64 1mtr s VAL 75 Ca 0.58 -0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 60.03 1mtr s VAL 75 Cb -0.28 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1mtr s VAL 75 CO 0.29 0.37 0.11 -0.76 -0.31 0.00 0.00 175.10 174.80 1mtr s LEU 76 N 0.09 4.10 -0.16 1.32 1.43 0.15 -1.19 118.68 124.43 1mtr s LEU 76 Ca -0.04 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1mtr s LEU 76 Cb -0.11 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1mtr s LEU 76 CO 0.02 0.19 -0.08 -0.69 0.23 0.00 0.00 176.35 176.02 1mtr s VAL 77 N 0.27 3.40 0.03 -1.59 1.01 -0.29 0.10 120.40 123.34 1mtr s VAL 77 Ca 0.07 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1mtr s VAL 77 Cb -0.11 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1mtr s VAL 77 CO -0.01 0.49 0.43 0.61 0.00 0.00 0.00 175.10 176.62 1mtr n GLY 78 N 3.88 0.77 3.57 4.51 0.00 -0.50 -0.99 105.19 116.43 1mtr n GLY 78 Ca -0.18 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1mtr n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mtr s PRO 79 N -2.01 3.01 0.02 1.61 0.04 -1.26 -3.18 135.00 133.22 1mtr s PRO 79 Ca 0.10 0.70 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1mtr s PRO 79 Cb -0.01 -4.26 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1mtr s PRO 79 CO 0.01 -2.28 -0.06 -0.08 0.04 0.00 0.00 177.00 174.63 1mtr s THR 80 N 7.56 0.43 0.40 1.26 -1.32 -1.26 -5.03 115.64 117.68 1mtr s THR 80 Ca 0.64 -0.68 0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1mtr s THR 80 Cb -0.14 -0.45 0.22 0.00 -1.51 0.00 0.00 72.50 70.62 1mtr s THR 80 CO 0.25 -0.18 2.00 -0.65 -2.21 0.00 0.00 174.62 173.82 1mtr h PRO 81 N 5.17 0.38 -3.23 7.08 0.11 -1.99 -3.46 132.00 136.07 1mtr h PRO 81 Ca -0.32 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1mtr h PRO 81 Cb 1.20 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.08 1mtr h PRO 81 CO 0.45 0.35 -0.15 0.54 -0.21 0.00 0.00 178.00 178.98 1mtr s VAL 82 N -5.13 0.07 -0.01 3.15 0.11 -1.26 -5.11 120.40 112.22 1mtr s VAL 82 Ca -0.07 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 1mtr s VAL 82 Cb 0.16 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1mtr s VAL 82 CO 0.73 -0.32 1.22 0.20 -3.33 0.00 0.00 175.10 173.59 1mtr s ASN 83 N -2.24 7.04 -0.19 3.54 0.01 -1.26 -4.72 114.94 117.12 1mtr s ASN 83 Ca -0.03 1.91 -0.00 0.00 -0.71 0.00 0.00 52.86 54.02 1mtr s ASN 83 Cb 0.00 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1mtr s ASN 83 CO -0.05 -0.56 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.20 1mtr s ILE 84 N 1.87 2.51 -0.39 0.60 1.01 0.47 -0.33 121.20 126.94 1mtr s ILE 84 Ca 0.58 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 1mtr s ILE 84 Cb -0.27 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1mtr s ILE 84 CO 0.25 0.50 0.45 -0.63 0.00 0.00 0.00 174.94 175.51 1mtr s ILE 85 N 1.29 5.07 0.44 2.92 -1.09 0.73 -1.47 121.20 129.09 1mtr s ILE 85 Ca 0.04 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1mtr s ILE 85 Cb -0.14 -3.99 0.09 0.00 -1.58 0.00 0.00 42.46 36.84 1mtr s ILE 85 CO -0.09 -0.33 0.61 0.61 -1.23 0.00 0.00 174.94 174.51 1mtr n GLY 86 N 5.02 0.82 0.35 6.18 0.00 -1.21 -1.36 105.19 114.99 1mtr n GLY 86 Ca -0.07 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.06 1mtr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mtr h ARG 87 N 0.00 0.27 -0.42 1.61 3.08 -0.27 -1.97 114.38 116.69 1mtr h ARG 87 Ca -0.20 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.85 1mtr h ARG 87 Cb 0.76 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1mtr h ARG 87 CO 0.22 0.18 0.28 -2.95 -1.07 0.00 0.00 179.97 176.63 1mtr h ASN 88 N 0.28 0.44 0.12 7.04 -1.07 -1.76 -1.58 115.58 119.04 1mtr h ASN 88 Ca 0.25 -0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.27 1mtr h ASN 88 Cb 0.60 -0.11 -0.06 0.00 -2.07 0.00 0.00 38.32 36.68 1mtr h ASN 88 CO -0.05 0.31 -2.22 0.18 0.07 0.00 0.00 177.43 175.71 1mtr n LEU 89 N -4.48 0.20 -0.04 6.14 4.77 -0.86 -4.10 117.00 118.63 1mtr n LEU 89 Ca 0.04 0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1mtr n LEU 89 Cb 0.11 0.41 0.29 0.00 -2.33 0.00 0.00 43.42 41.89 1mtr n LEU 89 CO 0.35 0.46 0.99 -0.07 -1.33 0.00 0.00 177.39 177.79 1mtr h LEU 90 N 0.00 0.57 -0.70 2.23 3.38 -1.18 -2.21 115.31 117.40 1mtr h LEU 90 Ca -0.47 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.28 1mtr h LEU 90 Cb 2.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1mtr h LEU 90 CO 0.04 0.58 -0.43 0.71 0.09 0.00 0.00 178.44 179.43 1mtr h THR 91 N 0.60 1.31 -0.18 0.22 1.35 -1.48 -2.81 112.91 111.92 1mtr h THR 91 Ca 0.14 -1.61 -0.04 0.00 -0.55 0.00 0.00 66.41 64.35 1mtr h THR 91 Cb 0.25 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1mtr h THR 91 CO -0.00 0.50 -0.06 1.56 -0.25 0.00 0.00 175.52 177.27 1mtr h GLN 92 N 0.40 0.28 -0.61 4.72 4.20 -1.55 -2.68 115.11 119.87 1mtr h GLN 92 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1mtr h GLN 92 Cb 0.92 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1mtr h GLN 92 CO 0.08 0.36 0.00 0.44 -0.67 0.00 0.00 178.83 179.04 1mtr n ILE 93 N -4.32 1.19 -1.98 2.54 -5.35 -1.07 -4.96 119.36 105.41 1mtr n ILE 93 Ca -0.00 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1mtr n ILE 93 Cb 0.23 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1mtr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mtr n GLY 94 N 1.14 -5.27 0.00 3.28 0.00 -1.02 -5.08 105.19 98.24 1mtr n GLY 94 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mtr n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mtr n THR 96 N 1.60 0.00 -3.83 2.61 -2.24 -1.26 -5.03 114.28 106.14 1mtr n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1mtr n THR 96 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1mtr n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1mtr s LEU 97 N 0.00 4.33 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.30 1mtr s LEU 97 Ca 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1mtr s LEU 97 Cb 0.00 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1mtr s LEU 97 CO 0.00 0.33 -0.01 0.20 0.23 0.00 0.00 176.35 177.11 1mtr s ASN 98 N -0.56 0.17 0.00 2.29 0.01 -1.26 -5.29 114.94 110.30 1mtr s ASN 98 Ca 0.13 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1mtr s ASN 98 Cb -0.12 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1mtr s ASN 98 CO 0.02 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.81