#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa1 s MET 1 N 0.00 3.18 0.11 4.33 1.75 0.21 -4.91 119.30 123.97 2pa1 s MET 1 Ca 0.00 -0.79 -0.28 0.00 -1.25 0.00 0.00 55.69 53.37 2pa1 s MET 1 Cb 0.00 -2.45 -0.06 0.00 2.84 0.00 0.00 34.83 35.16 2pa1 s MET 1 CO 0.00 0.21 0.88 0.00 -0.65 0.00 0.00 175.02 175.46 2pa1 s ALA 2 N 0.32 3.31 0.03 4.11 0.00 -1.26 -0.46 121.76 127.80 2pa1 s ALA 2 Ca -0.15 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 2pa1 s ALA 2 Cb -0.17 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2pa1 s ALA 2 CO 0.07 0.05 0.11 -0.51 0.00 0.00 0.00 175.76 175.48 2pa1 s LEU 3 N -0.22 1.73 -0.07 0.00 1.43 -0.70 -4.98 118.68 115.86 2pa1 s LEU 3 Ca 0.43 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2pa1 s LEU 3 Cb -0.23 0.63 -0.01 0.00 0.03 0.00 0.00 46.19 46.62 2pa1 s LEU 3 CO 0.27 -0.48 -0.24 -0.89 0.23 0.00 0.00 176.35 175.25 2pa1 s THR 4 N -2.31 2.00 -0.09 5.49 2.01 -1.26 -0.00 115.64 121.47 2pa1 s THR 4 Ca -0.07 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.93 2pa1 s THR 4 Cb -0.03 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2pa1 s THR 4 CO -0.03 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 2pa1 s VAL 5 N 0.03 1.50 -0.34 3.82 1.01 0.20 -5.00 120.40 121.62 2pa1 s VAL 5 Ca -0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2pa1 s VAL 5 Cb -0.15 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2pa1 s VAL 5 CO 0.05 0.44 0.24 -1.81 0.00 0.00 0.00 175.10 174.02 2pa1 s ASP 6 N 0.69 6.06 -0.26 3.32 1.01 -1.26 -0.69 116.67 125.54 2pa1 s ASP 6 Ca -0.13 -0.45 -0.16 0.00 0.71 0.00 0.00 52.55 52.52 2pa1 s ASP 6 Cb -0.16 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 2pa1 s ASP 6 CO 0.03 -0.25 0.45 -0.69 0.21 0.00 0.00 175.17 174.93 2pa1 s VAL 7 N 1.72 5.12 0.34 -1.27 1.01 0.14 -4.90 120.40 122.56 2pa1 s VAL 7 Ca 0.06 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 2pa1 s VAL 7 Cb -0.17 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2pa1 s VAL 7 CO 0.10 0.12 1.28 0.00 0.00 0.00 0.00 175.10 176.61 2pa1 s ALA 8 N 2.18 3.44 0.51 5.51 0.00 -1.26 -1.01 121.76 131.13 2pa1 s ALA 8 Ca 0.18 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.37 2pa1 s ALA 8 Cb -0.16 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.57 2pa1 s ALA 8 CO 0.09 -0.62 0.52 0.41 0.00 0.00 0.00 175.76 176.16 2pa1 n GLY 9 N 0.80 1.00 3.89 0.00 0.00 -1.26 -4.84 105.19 104.79 2pa1 n GLY 9 Ca 0.01 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 2pa1 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pa1 s PRO 10 N -3.76 1.32 0.86 1.61 0.04 -1.26 -5.10 135.00 128.71 2pa1 s PRO 10 Ca 0.35 -0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.22 2pa1 s PRO 10 Cb -0.02 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2pa1 s PRO 10 CO 0.23 -2.00 1.11 0.00 0.04 0.00 0.00 177.00 176.38 2pa1 s ALA 11 N -3.65 1.75 0.30 8.56 0.00 -1.26 -4.57 121.76 122.89 2pa1 s ALA 11 Ca 0.67 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 2pa1 s ALA 11 Cb -0.09 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 2pa1 s ALA 11 CO 0.51 -2.30 1.58 -2.30 0.00 0.00 0.00 175.76 173.25 2pa1 n PRO 12 N -3.89 2.67 0.16 0.00 -0.02 -1.26 -5.11 135.00 127.56 2pa1 n PRO 12 Ca 0.09 0.95 0.04 0.00 -2.02 0.00 0.00 63.50 62.56 2pa1 n PRO 12 Cb 0.53 -2.72 0.16 0.00 -0.02 0.00 0.00 33.50 31.45 2pa1 n PRO 12 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2pa1 h TRP 13 N 4.63 0.00 -0.53 6.00 4.06 -1.95 -3.43 115.95 124.73 2pa1 h TRP 13 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 2pa1 h TRP 13 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2pa1 h TRP 13 CO 0.58 0.46 0.00 0.41 -3.56 0.00 0.00 178.44 176.32 2pa1 n GLY 14 N 0.79 0.97 3.48 1.49 0.00 -1.26 -0.44 105.19 110.23 2pa1 n GLY 14 Ca 0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2pa1 n GLY 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pa1 s PHE 15 N -2.53 0.45 0.13 1.61 -0.71 -1.26 -0.83 117.98 114.85 2pa1 s PHE 15 Ca 0.00 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.17 2pa1 s PHE 15 Cb 0.00 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.82 2pa1 s PHE 15 CO 0.00 -0.88 -0.16 0.50 -1.34 0.00 0.00 175.22 173.34 2pa1 s ARG 16 N -4.02 1.12 0.21 1.99 3.52 -0.42 -4.98 118.95 116.37 2pa1 s ARG 16 Ca 0.23 -1.28 0.07 0.00 -0.13 0.00 0.00 55.73 54.62 2pa1 s ARG 16 Cb 0.01 -1.11 -0.05 0.00 -1.56 0.00 0.00 34.95 32.25 2pa1 s ARG 16 CO 0.07 0.22 -0.13 0.96 -0.81 0.00 0.00 175.30 175.61 2pa1 s ILE 17 N -1.98 1.69 0.12 4.11 -4.36 -1.26 -1.26 121.20 118.26 2pa1 s ILE 17 Ca 0.11 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 2pa1 s ILE 17 Cb -0.06 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 2pa1 s ILE 17 CO 0.04 -0.57 -0.07 0.28 0.24 0.00 0.00 174.94 174.87 2pa1 s THR 18 N -3.00 0.84 0.00 8.37 -1.32 0.02 -4.86 115.64 115.69 2pa1 s THR 18 Ca 0.23 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 2pa1 s THR 18 Cb -0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 2pa1 s THR 18 CO 0.07 -0.78 0.00 0.61 -2.21 0.00 0.00 174.62 172.31 2pa1 n GLY 19 N -0.12 -2.10 0.00 6.08 0.00 -1.26 -1.23 105.19 106.57 2pa1 n GLY 19 Ca -0.11 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2pa1 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa1 n GLY 20 N -0.08 2.75 0.29 -0.02 0.00 0.08 -4.06 105.19 104.16 2pa1 n GLY 20 Ca 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.12 2pa1 n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pa1 h ARG 21 N 0.00 0.82 0.00 1.61 2.43 -1.26 -1.09 114.38 116.89 2pa1 h ARG 21 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2pa1 h ARG 21 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2pa1 h ARG 21 CO 0.00 0.54 0.00 -0.40 -1.51 0.00 0.00 179.97 178.60 2pa1 n ASP 22 N -4.69 0.00 -0.42 -3.80 5.75 -1.26 -1.57 116.55 110.56 2pa1 n ASP 22 Ca 0.10 0.21 0.05 0.00 -0.01 0.00 0.00 54.79 55.15 2pa1 n ASP 22 Cb 0.17 -0.37 0.06 0.00 -1.03 0.00 0.00 41.12 39.95 2pa1 n ASP 22 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2pa1 n PHE 23 N -1.37 0.08 -3.77 2.11 3.01 -0.52 -5.01 117.46 112.01 2pa1 n PHE 23 Ca 0.07 -0.10 -0.29 0.00 1.01 0.00 0.00 57.45 58.13 2pa1 n PHE 23 Cb 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2pa1 n PHE 23 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2pa1 n HIS 24 N 0.51 -1.94 -3.99 1.38 8.25 -0.59 -4.85 115.22 113.99 2pa1 n HIS 24 Ca 0.07 0.70 -0.09 0.00 -0.26 0.00 0.00 57.72 58.14 2pa1 n HIS 24 Cb 0.27 -3.30 -0.10 0.00 1.12 0.00 0.00 29.99 27.98 2pa1 n HIS 24 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2pa1 s THR 25 N -3.14 0.14 0.71 1.59 -4.23 -1.05 -5.01 115.64 104.65 2pa1 s THR 25 Ca 0.58 -1.17 -0.15 0.00 -1.18 0.00 0.00 61.69 59.77 2pa1 s THR 25 Cb -0.30 -0.74 0.03 0.00 1.34 0.00 0.00 72.50 72.82 2pa1 s THR 25 CO 0.71 -0.64 1.18 -2.16 -0.54 0.00 0.00 174.62 173.17 2pa1 s PRO 26 N -2.36 2.33 -0.04 3.99 0.04 -1.26 -0.74 135.00 136.96 2pa1 s PRO 26 Ca -0.07 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2pa1 s PRO 26 Cb -0.03 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2pa1 s PRO 26 CO -0.04 -1.66 1.34 0.42 0.04 0.00 0.00 177.00 177.10 2pa1 s ILE 27 N -2.08 3.93 -0.01 0.56 1.01 -1.26 -4.09 121.20 119.25 2pa1 s ILE 27 Ca 0.72 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.66 2pa1 s ILE 27 Cb -0.27 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 2pa1 s ILE 27 CO 0.44 -0.02 -0.07 -0.32 0.00 0.00 0.00 174.94 174.97 2pa1 s MET 28 N 2.55 0.66 0.06 2.79 1.75 -0.36 -0.60 119.30 126.14 2pa1 s MET 28 Ca 0.61 -0.24 -0.31 0.00 -1.25 0.00 0.00 55.69 54.50 2pa1 s MET 28 Cb -0.28 -0.64 -0.06 0.00 2.84 0.00 0.00 34.83 36.68 2pa1 s MET 28 CO 0.24 0.12 1.37 0.08 -0.65 0.00 0.00 175.02 176.17 2pa1 s VAL 29 N 0.02 3.60 -0.16 10.11 1.01 -0.02 -0.80 120.40 134.15 2pa1 s VAL 29 Ca 0.00 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 2pa1 s VAL 29 Cb -0.05 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2pa1 s VAL 29 CO -0.00 0.05 -0.15 0.35 0.00 0.00 0.00 175.10 175.34 2pa1 n THR 30 N 4.26 0.89 -4.58 3.92 -2.24 -0.39 0.44 114.28 116.58 2pa1 n THR 30 Ca 0.12 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 2pa1 n THR 30 Cb 0.43 -1.19 -0.15 0.00 -2.10 0.00 0.00 70.33 67.33 2pa1 n THR 30 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2pa1 s LYS 31 N -2.31 1.05 -0.14 -0.78 2.36 -1.24 -4.73 119.74 113.96 2pa1 s LYS 31 Ca -0.21 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.74 2pa1 s LYS 31 Cb 0.06 -1.01 0.02 0.00 -1.05 0.00 0.00 37.83 35.85 2pa1 s LYS 31 CO 0.34 0.28 -0.13 0.08 1.55 0.00 0.00 175.35 177.47 2pa1 s VAL 32 N -0.31 1.43 0.26 4.02 1.01 -1.26 -1.30 120.40 124.24 2pa1 s VAL 32 Ca 0.05 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 2pa1 s VAL 32 Cb -0.05 -1.36 -0.12 0.00 0.00 0.00 0.00 36.38 34.85 2pa1 s VAL 32 CO -0.00 0.43 1.54 0.00 0.00 0.00 0.00 175.10 177.07 2pa1 n ALA 33 N 4.76 1.99 -0.22 5.51 0.00 -0.01 -4.89 120.51 127.65 2pa1 n ALA 33 Ca -0.16 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.67 2pa1 n ALA 33 Cb 0.50 -2.39 0.11 0.00 0.00 0.00 0.00 19.45 17.66 2pa1 n ALA 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pa1 h GLU 34 N 4.84 0.54 -4.77 0.00 3.07 -2.00 -3.32 114.58 112.95 2pa1 h GLU 34 Ca -0.46 -0.03 -0.68 0.00 -0.50 0.00 0.00 59.36 57.69 2pa1 h GLU 34 Cb 1.24 -0.12 -0.30 0.00 -0.84 0.00 0.00 28.75 28.73 2pa1 h GLU 34 CO 0.80 0.36 -0.66 -0.98 -1.40 0.00 0.00 179.01 177.13 2pa1 s ARG 35 N -6.09 2.73 -0.09 2.33 1.04 -1.26 -4.92 118.95 112.68 2pa1 s ARG 35 Ca -0.13 -1.09 -0.32 0.00 -1.04 0.00 0.00 55.73 53.16 2pa1 s ARG 35 Cb 0.17 -3.28 0.13 0.00 -2.04 0.00 0.00 34.95 29.92 2pa1 s ARG 35 CO 0.75 -0.55 1.41 0.20 -0.04 0.00 0.00 175.30 177.07 2pa1 s GLY 36 N 1.37 -0.40 0.18 3.88 0.00 -1.25 -5.01 107.32 106.10 2pa1 s GLY 36 Ca -0.01 0.67 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 2pa1 s GLY 36 CO 0.00 2.59 1.73 0.50 0.00 0.00 0.00 173.10 177.93 2pa1 h LYS 37 N 2.00 0.98 -0.71 2.90 1.79 -1.80 -2.07 116.57 119.65 2pa1 h LYS 37 Ca -0.29 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 57.94 2pa1 h LYS 37 Cb 1.18 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2pa1 h LYS 37 CO 0.30 0.83 0.22 0.00 -1.08 0.00 0.00 179.45 179.72 2pa1 h ALA 38 N 1.10 0.93 -0.61 3.86 0.00 -0.99 -2.16 119.26 121.39 2pa1 h ALA 38 Ca 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pa1 h ALA 38 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pa1 h ALA 38 CO -0.01 0.62 0.08 -0.22 0.00 0.00 0.00 179.25 179.71 2pa1 h LYS 39 N 1.05 1.02 -0.90 0.00 3.11 -1.74 -1.46 116.57 117.66 2pa1 h LYS 39 Ca 0.23 -0.28 0.11 0.00 -2.81 0.00 0.00 60.65 57.90 2pa1 h LYS 39 Cb 0.31 -0.11 -0.07 0.00 -1.00 0.00 0.00 32.23 31.35 2pa1 h LYS 39 CO -0.01 0.96 0.58 -0.44 -2.81 0.00 0.00 179.45 177.73 2pa1 h ASP 40 N 0.93 0.76 -0.01 4.20 3.32 -1.07 -2.10 116.42 122.45 2pa1 h ASP 40 Ca 0.18 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2pa1 h ASP 40 Cb 0.45 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2pa1 h ASP 40 CO 0.01 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 2pa1 n ALA 41 N -2.41 2.62 -3.25 3.45 0.00 -0.84 -4.94 120.51 115.14 2pa1 n ALA 41 Ca 0.16 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2pa1 n ALA 41 Cb 0.36 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.57 2pa1 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pa1 n ASP 42 N -0.25 -6.01 -4.75 0.00 2.03 -0.79 -4.94 116.55 101.85 2pa1 n ASP 42 Ca 0.21 -0.39 -0.41 0.00 0.52 0.00 0.00 54.79 54.72 2pa1 n ASP 42 Cb 0.27 -4.73 -0.04 0.00 -0.72 0.00 0.00 41.12 35.90 2pa1 n ASP 42 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2pa1 s LEU 43 N -6.61 4.49 0.05 -2.67 2.96 -0.59 -5.04 118.68 111.27 2pa1 s LEU 43 Ca 0.42 2.27 0.06 0.00 -0.22 0.00 0.00 54.13 56.66 2pa1 s LEU 43 Cb -0.18 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.86 2pa1 s LEU 43 CO 0.52 -0.28 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.96 2pa1 s ARG 44 N -0.88 1.20 0.24 1.98 0.52 -1.26 -4.59 118.95 116.17 2pa1 s ARG 44 Ca 0.49 -0.89 -0.31 0.00 -0.52 0.00 0.00 55.73 54.50 2pa1 s ARG 44 Cb -0.33 -1.29 -0.14 0.00 0.52 0.00 0.00 34.95 33.71 2pa1 s ARG 44 CO 0.40 0.32 1.23 -2.30 0.02 0.00 0.00 175.30 174.97 2pa1 n PRO 45 N 1.81 1.63 0.00 3.54 -0.02 -1.26 -1.81 135.00 138.88 2pa1 n PRO 45 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2pa1 n PRO 45 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2pa1 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pa1 n GLY 46 N 1.73 3.06 3.73 -1.23 0.00 0.17 -4.99 105.19 107.67 2pa1 n GLY 46 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2pa1 n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pa1 s ASP 47 N -1.19 6.37 -0.17 1.61 1.01 -0.75 -4.68 116.67 118.87 2pa1 s ASP 47 Ca 0.00 2.91 -0.19 0.00 0.71 0.00 0.00 52.55 55.99 2pa1 s ASP 47 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2pa1 s ASP 47 CO 0.00 -0.95 0.52 -0.63 0.21 0.00 0.00 175.17 174.31 2pa1 s ILE 48 N 0.67 5.12 -0.43 0.77 1.01 -0.43 -0.84 121.20 127.07 2pa1 s ILE 48 Ca 0.70 0.98 -0.28 0.00 0.00 0.00 0.00 60.65 62.06 2pa1 s ILE 48 Cb -0.49 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.16 2pa1 s ILE 48 CO 0.39 0.22 1.04 -0.63 0.00 0.00 0.00 174.94 175.96 2pa1 s ILE 49 N 1.33 4.38 -0.06 2.92 1.01 0.23 -0.44 121.20 130.56 2pa1 s ILE 49 Ca 0.25 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.13 2pa1 s ILE 49 Cb -0.15 -4.49 -0.24 0.00 0.01 0.00 0.00 42.46 37.58 2pa1 s ILE 49 CO 0.10 -0.81 0.59 0.58 0.00 0.00 0.00 174.94 175.40 2pa1 h VAL 50 N 6.05 0.81 -2.98 2.92 2.07 -0.96 -3.41 116.25 120.75 2pa1 h VAL 50 Ca -0.23 -2.60 -0.12 0.00 0.82 0.00 0.00 66.70 64.57 2pa1 h VAL 50 Cb 1.07 2.48 -0.21 0.00 -1.52 0.00 0.00 31.29 33.10 2pa1 h VAL 50 CO 1.06 0.65 -0.28 0.00 0.02 0.00 0.00 177.57 179.03 2pa1 s ALA 51 N -2.59 -0.82 -0.22 1.67 0.00 -1.00 -1.13 121.76 117.68 2pa1 s ALA 51 Ca -0.11 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2pa1 s ALA 51 Cb 0.07 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.13 2pa1 s ALA 51 CO 0.81 -0.23 -0.13 0.42 0.00 0.00 0.00 175.76 176.63 2pa1 s ILE 52 N -0.89 1.91 -1.49 0.00 1.01 -0.20 -1.58 121.20 119.96 2pa1 s ILE 52 Ca -0.10 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.27 2pa1 s ILE 52 Cb -0.04 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.55 2pa1 s ILE 52 CO 0.03 0.18 0.72 0.59 0.00 0.00 0.00 174.94 176.46 2pa1 n ASN 53 N 4.59 -2.42 0.00 3.58 3.02 0.67 -1.20 115.26 123.49 2pa1 n ASN 53 Ca -0.16 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2pa1 n ASN 53 Cb 0.46 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 2pa1 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pa1 n GLY 54 N -1.69 2.71 3.66 7.41 0.00 -1.26 -5.00 105.19 111.01 2pa1 n GLY 54 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2pa1 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pa1 s GLU 55 N -0.18 4.21 0.17 1.61 2.12 -0.34 -5.01 118.70 121.28 2pa1 s GLU 55 Ca 0.00 0.56 -0.34 0.00 0.36 0.00 0.00 54.97 55.56 2pa1 s GLU 55 Cb 0.00 -3.57 -0.15 0.00 0.26 0.00 0.00 34.13 30.68 2pa1 s GLU 55 CO 0.00 -0.20 1.43 0.45 -0.54 0.00 0.00 175.26 176.39 2pa1 n SER 56 N 4.93 2.47 0.07 -1.70 2.88 -1.26 -1.03 113.62 119.98 2pa1 n SER 56 Ca -0.02 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.74 2pa1 n SER 56 Cb 0.50 -1.35 -0.05 0.00 -0.75 0.00 0.00 64.21 62.56 2pa1 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pa1 n ALA 57 N 2.57 2.57 -0.26 -1.46 0.00 -0.29 -4.42 120.51 119.23 2pa1 n ALA 57 Ca 0.16 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2pa1 n ALA 57 Cb 0.27 -1.00 0.15 0.00 0.00 0.00 0.00 19.45 18.86 2pa1 n ALA 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2pa1 h GLU 58 N 0.00 0.07 -0.14 0.00 4.81 -1.84 -0.92 114.58 116.57 2pa1 h GLU 58 Ca -0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2pa1 h GLU 58 Cb 1.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2pa1 h GLU 58 CO 0.00 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 2pa1 n GLY 59 N -1.44 0.17 3.75 1.92 0.00 -1.26 -4.39 105.19 103.95 2pa1 n GLY 59 Ca 0.13 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2pa1 n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pa1 s MET 60 N -1.83 4.78 0.69 1.61 -1.94 -0.35 -4.75 119.30 117.50 2pa1 s MET 60 Ca 0.33 1.61 -0.14 0.00 -1.71 0.00 0.00 55.69 55.78 2pa1 s MET 60 Cb 0.18 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.79 2pa1 s MET 60 CO 0.27 0.40 1.11 -0.51 -0.01 0.00 0.00 175.02 176.29 2pa1 s LEU 61 N -1.28 3.31 0.16 -0.03 1.43 -1.26 -1.00 118.68 120.00 2pa1 s LEU 61 Ca 0.42 1.99 -0.19 0.00 -1.03 0.00 0.00 54.13 55.32 2pa1 s LEU 61 Cb -0.28 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.46 2pa1 s LEU 61 CO 0.35 -1.77 1.65 -0.74 0.23 0.00 0.00 176.35 176.08 2pa1 h HIS 62 N -0.24 -0.37 -0.15 0.29 -0.00 -1.88 -0.52 115.15 112.27 2pa1 h HIS 62 Ca -0.46 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 59.88 2pa1 h HIS 62 Cb 1.25 0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.86 2pa1 h HIS 62 CO 0.55 -0.23 -0.20 0.00 -0.00 0.00 0.00 177.93 178.05 2pa1 h ALA 63 N 1.16 1.38 -0.05 5.26 0.00 -1.93 -1.37 119.26 123.71 2pa1 h ALA 63 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pa1 h ALA 63 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2pa1 h ALA 63 CO -0.39 0.43 0.01 1.49 0.00 0.00 0.00 179.25 180.78 2pa1 h GLU 64 N 0.24 0.07 -0.57 0.00 4.81 -1.75 -0.37 114.58 117.02 2pa1 h GLU 64 Ca 0.04 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2pa1 h GLU 64 Cb 0.49 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2pa1 h GLU 64 CO 0.03 0.26 0.35 0.00 -0.73 0.00 0.00 179.01 178.92 2pa1 h ALA 65 N 0.81 0.72 0.11 2.92 0.00 -0.84 -1.36 119.26 121.62 2pa1 h ALA 65 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pa1 h ALA 65 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2pa1 h ALA 65 CO -0.00 0.20 -0.11 1.96 0.00 0.00 0.00 179.25 181.29 2pa1 h GLN 66 N 0.77 -0.24 -0.58 0.00 4.20 -1.18 -1.37 115.11 116.71 2pa1 h GLN 66 Ca 0.21 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.94 2pa1 h GLN 66 Cb -0.03 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2pa1 h GLN 66 CO -0.04 -0.16 0.38 0.77 -0.67 0.00 0.00 178.83 179.11 2pa1 h SER 67 N -0.25 0.65 -0.77 1.46 0.02 -0.95 0.18 113.55 113.89 2pa1 h SER 67 Ca 0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2pa1 h SER 67 Cb 0.24 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 2pa1 h SER 67 CO -0.03 0.47 0.39 0.11 -1.14 0.00 0.00 176.83 176.62 2pa1 h LYS 68 N 0.77 1.10 0.12 3.45 1.57 -1.08 -0.09 116.57 122.42 2pa1 h LYS 68 Ca 0.22 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2pa1 h LYS 68 Cb -0.07 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.04 2pa1 h LYS 68 CO -0.06 0.84 -0.06 0.82 -0.57 0.00 0.00 179.45 180.43 2pa1 h ILE 69 N 1.08 1.01 -0.91 1.86 2.04 -0.84 -1.75 117.51 120.00 2pa1 h ILE 69 Ca 0.27 -0.55 0.11 0.00 1.00 0.00 0.00 64.86 65.69 2pa1 h ILE 69 Cb 0.09 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 2pa1 h ILE 69 CO -0.04 0.13 0.54 0.03 0.00 0.00 0.00 178.15 178.82 2pa1 h ARG 70 N -0.42 0.85 -0.54 2.37 3.08 -0.37 -2.37 114.38 116.97 2pa1 h ARG 70 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2pa1 h ARG 70 Cb 0.34 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2pa1 h ARG 70 CO 0.03 0.56 0.00 1.04 -1.07 0.00 0.00 179.97 180.53 2pa1 n GLN 71 N -4.69 2.56 -1.67 0.04 6.02 -0.07 -4.91 117.38 114.66 2pa1 n GLN 71 Ca 0.16 -2.39 -0.40 0.00 -0.01 0.00 0.00 57.00 54.36 2pa1 n GLN 71 Cb 0.32 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 30.07 2pa1 n GLN 71 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2pa1 n SER 72 N 1.51 1.97 -4.56 1.08 2.88 -0.66 -5.00 113.62 110.83 2pa1 n SER 72 Ca 0.22 1.04 -0.29 0.00 -1.33 0.00 0.00 58.87 58.50 2pa1 n SER 72 Cb 0.60 -1.45 0.22 0.00 -0.75 0.00 0.00 64.21 62.82 2pa1 n SER 72 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2pa1 s PRO 73 N -2.29 -0.18 -0.18 -1.46 0.02 -1.26 -4.92 135.00 124.73 2pa1 s PRO 73 Ca 0.65 1.08 -0.09 0.00 0.02 0.00 0.00 61.00 62.66 2pa1 s PRO 73 Cb -0.50 -1.62 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 2pa1 s PRO 73 CO 0.55 -3.30 0.13 0.45 -0.33 0.00 0.00 177.00 174.50 2pa1 s SER 74 N -2.61 6.23 0.59 2.53 0.15 -1.26 -2.94 113.70 116.39 2pa1 s SER 74 Ca 0.68 0.29 -0.13 0.00 0.70 0.00 0.00 55.95 57.48 2pa1 s SER 74 Cb -0.24 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2pa1 s SER 74 CO 0.62 0.24 1.02 -2.16 1.20 0.00 0.00 173.24 174.16 2pa1 s PRO 75 N -0.01 3.63 -0.10 5.44 0.04 -1.26 -4.97 135.00 137.77 2pa1 s PRO 75 Ca 0.10 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2pa1 s PRO 75 Cb -0.11 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2pa1 s PRO 75 CO -0.00 -0.54 1.17 -1.17 0.04 0.00 0.00 177.00 176.49 2pa1 s LEU 76 N -4.79 4.24 -0.26 -3.56 2.96 -0.18 -4.85 118.68 112.23 2pa1 s LEU 76 Ca 0.57 1.71 -0.08 0.00 -0.22 0.00 0.00 54.13 56.11 2pa1 s LEU 76 Cb -0.11 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 2pa1 s LEU 76 CO 0.45 -0.61 0.09 -0.60 -1.32 0.00 0.00 176.35 174.36 2pa1 s ARG 77 N 2.55 3.58 -0.09 1.98 3.52 -1.26 0.28 118.95 129.51 2pa1 s ARG 77 Ca 0.53 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.63 2pa1 s ARG 77 Cb -0.22 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2pa1 s ARG 77 CO 0.18 -0.24 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.73 2pa1 s LEU 78 N 1.61 2.37 -0.22 -0.88 1.43 0.13 -0.24 118.68 122.89 2pa1 s LEU 78 Ca 0.06 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2pa1 s LEU 78 Cb -0.16 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 2pa1 s LEU 78 CO 0.04 0.21 0.12 -1.10 0.23 0.00 0.00 176.35 175.85 2pa1 s GLN 79 N 0.05 4.04 0.19 1.70 -0.21 -0.61 -0.63 119.66 124.19 2pa1 s GLN 79 Ca -0.08 -0.29 0.11 0.00 0.02 0.00 0.00 55.36 55.11 2pa1 s GLN 79 Cb -0.15 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 2pa1 s GLN 79 CO 0.05 0.16 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.65 2pa1 s LEU 80 N 0.75 2.45 -0.26 2.90 1.43 1.00 -0.30 118.68 126.64 2pa1 s LEU 80 Ca 0.06 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2pa1 s LEU 80 Cb -0.13 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.09 2pa1 s LEU 80 CO 0.02 0.06 -0.07 -0.62 0.23 0.00 0.00 176.35 175.97 2pa1 s ASP 81 N -2.73 4.44 -0.32 2.29 2.15 0.41 -1.73 116.67 121.18 2pa1 s ASP 81 Ca 0.20 -1.16 -0.12 0.00 0.43 0.00 0.00 52.55 51.89 2pa1 s ASP 81 Cb -0.07 -1.62 -0.03 0.00 -0.30 0.00 0.00 42.92 40.90 2pa1 s ASP 81 CO 0.09 -0.18 0.24 -0.60 -0.17 0.00 0.00 175.17 174.55 2pa1 s ARG 82 N 1.22 3.66 -0.01 4.34 3.52 0.39 -1.31 118.95 130.75 2pa1 s ARG 82 Ca -0.04 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 54.75 2pa1 s ARG 82 Cb -0.18 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2pa1 s ARG 82 CO -0.04 -0.36 1.21 0.42 -0.81 0.00 0.00 175.30 175.72 2pa1 s ILE 83 N 1.76 4.16 -0.05 4.11 1.09 -1.26 -0.62 121.20 130.39 2pa1 s ILE 83 Ca 0.07 1.51 0.19 0.00 -1.10 0.00 0.00 60.65 61.33 2pa1 s ILE 83 Cb -0.17 -3.97 -0.30 0.00 -1.06 0.00 0.00 42.46 36.96 2pa1 s ILE 83 CO 0.11 0.04 0.38 0.35 -0.10 0.00 0.00 174.94 175.72 2pa1 n THR 84 N 4.40 0.17 -2.31 2.92 -2.24 -1.26 -4.99 114.28 110.97 2pa1 n THR 84 Ca 0.10 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 2pa1 n THR 84 Cb 0.46 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 2pa1 n THR 84 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pa1 s SER 85 N -4.41 6.46 0.00 3.42 0.15 -1.26 -5.14 113.70 112.92 2pa1 s SER 85 Ca -0.07 2.30 0.31 0.00 0.70 0.00 0.00 55.95 59.18 2pa1 s SER 85 Cb 0.12 -2.61 1.70 0.00 -1.71 0.00 0.00 66.02 63.52 2pa1 s SER 85 CO 0.81 -0.72 2.11 0.18 1.20 0.00 0.00 173.24 176.83