#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rks s HIS 8 N 0.00 0.68 -0.00 -1.77 -3.43 -1.26 -5.11 115.29 104.39 2rks s HIS 8 Ca 0.00 -0.32 -0.26 0.00 -0.80 0.00 0.00 55.06 53.69 2rks s HIS 8 Cb 0.00 -0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 30.69 2rks s HIS 8 CO 0.00 -0.04 0.79 0.15 -2.00 0.00 0.00 174.74 173.65 2rks s LYS 9 N -0.94 4.50 -0.05 -0.38 1.02 -1.26 -4.33 119.74 118.30 2rks s LYS 9 Ca -0.04 1.09 0.05 0.00 0.02 0.00 0.00 55.97 57.09 2rks s LYS 9 Cb -0.07 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2rks s LYS 9 CO 0.00 0.13 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.15 2rks s GLU 10 N 0.49 2.44 0.63 1.68 2.02 0.12 -4.92 118.70 121.16 2rks s GLU 10 Ca 0.41 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 54.42 2rks s GLU 10 Cb -0.20 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 2rks s GLU 10 CO 0.22 0.52 1.12 -1.25 0.02 0.00 0.00 175.26 175.90 2rks s PRO 11 N -0.49 2.92 0.29 0.39 0.04 -1.26 0.43 135.00 137.32 2rks s PRO 11 Ca 0.06 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 2rks s PRO 11 Cb -0.11 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2rks s PRO 11 CO 0.01 -1.17 0.67 0.00 0.04 0.00 0.00 177.00 176.55 2rks s ALA 12 N -2.15 -0.84 -0.05 8.56 0.00 -0.78 -4.57 121.76 121.93 2rks s ALA 12 Ca 0.69 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2rks s ALA 12 Cb -0.22 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2rks s ALA 12 CO 0.37 -0.98 -0.15 0.99 0.00 0.00 0.00 175.76 176.00 2rks s THR 13 N -3.65 1.27 0.22 0.00 2.01 -0.54 -4.06 115.64 110.89 2rks s THR 13 Ca 0.15 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2rks s THR 13 Cb -0.04 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 2rks s THR 13 CO 0.09 0.37 1.37 -0.22 -0.69 0.00 0.00 174.62 175.54 2rks s LEU 14 N 0.19 4.40 -0.12 4.42 2.96 -1.26 0.23 118.68 129.50 2rks s LEU 14 Ca -0.06 2.51 -0.09 0.00 -0.22 0.00 0.00 54.13 56.27 2rks s LEU 14 Cb -0.12 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 2rks s LEU 14 CO 0.02 -0.61 -0.21 -0.38 -1.32 0.00 0.00 176.35 173.86 2rks n ILE 15 N 2.56 1.13 -3.65 6.68 5.41 -0.19 -4.80 119.36 126.49 2rks n ILE 15 Ca 0.07 -0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 2rks n ILE 15 Cb 0.42 -1.87 -0.08 0.00 -0.71 0.00 0.00 39.64 37.40 2rks n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2rks s LYS 16 N -2.41 0.74 0.13 0.38 2.20 -0.80 -5.02 119.74 114.96 2rks s LYS 16 Ca -0.20 0.94 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 2rks s LYS 16 Cb 0.06 0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 36.64 2rks s LYS 16 CO 0.27 -0.10 1.01 0.00 -0.36 0.00 0.00 175.35 176.17 2rks s ALA 17 N 0.54 3.29 -0.09 3.13 0.00 -1.26 -0.39 121.76 126.97 2rks s ALA 17 Ca -0.02 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.61 2rks s ALA 17 Cb -0.05 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 2rks s ALA 17 CO -0.02 -0.09 -0.07 -0.89 0.00 0.00 0.00 175.76 174.69 2rks n ILE 18 N 2.69 0.53 -3.79 0.00 5.41 -0.78 -4.90 119.36 118.52 2rks n ILE 18 Ca 0.03 -0.21 -0.09 0.00 1.00 0.00 0.00 62.75 63.47 2rks n ILE 18 Cb 0.48 -0.83 0.02 0.00 -0.71 0.00 0.00 39.64 38.60 2rks n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2rks n ASP 19 N -2.74 -2.06 -0.01 4.38 2.03 -0.36 -4.97 116.55 112.83 2rks n ASP 19 Ca -0.16 -2.56 0.04 0.00 0.52 0.00 0.00 54.79 52.63 2rks n ASP 19 Cb 0.68 3.47 0.41 0.00 -0.72 0.00 0.00 41.12 44.96 2rks n ASP 19 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2rks h GLY 20 N 1.88 0.59 -1.43 0.27 0.00 -1.80 -3.04 103.07 99.54 2rks h GLY 20 Ca -0.31 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2rks h GLY 20 CO 0.40 0.22 0.00 2.09 0.00 0.00 0.00 176.54 179.25 2rks n ASP 21 N -4.46 3.03 -3.77 0.19 3.85 -1.26 -4.77 116.55 109.36 2rks n ASP 21 Ca 0.03 -1.99 -0.13 0.00 -0.71 0.00 0.00 54.79 51.99 2rks n ASP 21 Cb 0.07 -0.26 -0.13 0.00 -1.35 0.00 0.00 41.12 39.45 2rks n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2rks s THR 22 N -1.00 -0.02 0.02 2.12 2.01 -1.15 -0.63 115.64 116.98 2rks s THR 22 Ca 0.26 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.35 2rks s THR 22 Cb 0.14 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 2rks s THR 22 CO 0.18 0.03 -0.05 0.68 -0.69 0.00 0.00 174.62 174.77 2rks s VAL 23 N 0.65 0.35 -0.19 3.82 -7.23 -0.55 -1.22 120.40 116.03 2rks s VAL 23 Ca -0.04 -0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 2rks s VAL 23 Cb -0.06 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 2rks s VAL 23 CO -0.04 -0.15 0.12 -0.75 -0.31 0.00 0.00 175.10 173.97 2rks s LYS 24 N -0.78 4.11 0.11 4.82 2.20 0.48 -0.25 119.74 130.43 2rks s LYS 24 Ca -0.05 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.36 2rks s LYS 24 Cb -0.06 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2rks s LYS 24 CO -0.00 0.32 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.71 2rks s LEU 25 N 0.28 2.48 -0.21 5.43 1.43 0.24 -1.03 118.68 127.30 2rks s LEU 25 Ca 0.08 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.05 2rks s LEU 25 Cb -0.11 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 2rks s LEU 25 CO -0.01 -0.36 0.53 -0.32 0.23 0.00 0.00 176.35 176.42 2rks s MET 26 N -3.45 4.17 -0.09 1.70 -2.45 0.14 -0.58 119.30 118.73 2rks s MET 26 Ca 0.11 0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 54.96 2rks s MET 26 Cb 0.02 -3.58 0.03 0.00 1.25 0.00 0.00 34.83 32.54 2rks s MET 26 CO -0.01 -0.20 -0.04 -0.47 1.05 0.00 0.00 175.02 175.35 2rks s TYR 27 N 1.80 1.03 -1.52 4.11 5.04 0.33 -1.46 117.35 126.68 2rks s TYR 27 Ca 0.24 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.40 2rks s TYR 27 Cb -0.15 -0.97 0.02 0.00 0.35 0.00 0.00 41.96 41.20 2rks s TYR 27 CO 0.09 -0.39 0.59 1.63 -1.34 0.00 0.00 175.55 176.13 2rks n LYS 28 N 4.93 -4.66 -0.96 4.97 5.02 -1.26 -2.23 118.16 123.96 2rks n LYS 28 Ca -0.11 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2rks n LYS 28 Cb 0.50 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 2rks n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rks n GLY 29 N -1.47 0.63 3.13 0.72 0.00 -1.26 -5.01 105.19 101.93 2rks n GLY 29 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2rks n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rks s GLN 30 N -0.23 0.89 0.36 1.61 -1.52 -0.95 -5.10 119.66 114.73 2rks s GLN 30 Ca 0.00 -0.72 -0.27 0.00 -1.95 0.00 0.00 55.36 52.42 2rks s GLN 30 Cb 0.00 -0.88 -0.09 0.00 -0.22 0.00 0.00 33.01 31.82 2rks s GLN 30 CO 0.00 0.22 1.23 -1.25 -0.25 0.00 0.00 175.29 175.23 2rks s PRO 31 N -1.08 4.20 -0.15 2.91 0.04 -1.26 -0.51 135.00 139.15 2rks s PRO 31 Ca 0.01 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2rks s PRO 31 Cb -0.08 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 31.63 2rks s PRO 31 CO 0.01 -0.25 0.48 1.41 0.04 0.00 0.00 177.00 178.70 2rks s MET 32 N -2.02 0.62 -0.12 4.56 1.75 0.25 -4.87 119.30 119.47 2rks s MET 32 Ca 0.53 0.54 -0.08 0.00 -1.25 0.00 0.00 55.69 55.43 2rks s MET 32 Cb -0.35 0.30 -0.04 0.00 2.84 0.00 0.00 34.83 37.57 2rks s MET 32 CO 0.45 -0.10 0.17 0.99 -0.65 0.00 0.00 175.02 175.88 2rks s THR 33 N -0.04 5.45 -0.09 10.11 2.01 -1.26 -0.59 115.64 131.23 2rks s THR 33 Ca -0.02 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.29 2rks s THR 33 Cb -0.03 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.03 2rks s THR 33 CO 0.02 0.59 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.94 2rks s PHE 34 N -0.83 2.52 -0.20 4.92 0.40 0.65 -0.57 117.98 124.87 2rks s PHE 34 Ca 0.15 -0.93 -0.16 0.00 -0.60 0.00 0.00 56.93 55.39 2rks s PHE 34 Cb -0.12 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 2rks s PHE 34 CO 0.04 -0.35 0.41 0.50 0.70 0.00 0.00 175.22 176.52 2rks s ARG 35 N 0.17 4.18 -0.00 0.44 6.06 -0.09 -1.48 118.95 128.22 2rks s ARG 35 Ca -0.14 0.22 -0.30 0.00 -2.50 0.00 0.00 55.73 53.01 2rks s ARG 35 Cb -0.17 -3.54 -0.07 0.00 0.06 0.00 0.00 34.95 31.24 2rks s ARG 35 CO 0.07 -0.04 1.61 -0.51 -2.50 0.00 0.00 175.30 173.93 2rks s LEU 36 N 1.32 4.34 0.45 -0.88 1.02 0.19 -2.91 118.68 122.21 2rks s LEU 36 Ca 0.19 2.31 -0.25 0.00 0.02 0.00 0.00 54.13 56.40 2rks s LEU 36 Cb -0.15 -3.55 -0.08 0.00 0.02 0.00 0.00 46.19 42.43 2rks s LEU 36 CO 0.08 -0.88 1.43 -0.76 0.02 0.00 0.00 176.35 176.24 2rks s LEU 37 N 3.27 4.13 0.00 1.79 1.43 -0.08 -3.53 118.68 125.68 2rks s LEU 37 Ca 0.72 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.75 2rks s LEU 37 Cb -0.35 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 41.95 2rks s LEU 37 CO 0.30 -1.16 0.00 0.29 0.23 0.00 0.00 176.35 176.01 2rks n LYS 38 N -0.16 -1.04 -4.14 1.70 4.76 -1.26 -4.93 118.16 113.08 2rks n LYS 38 Ca 0.05 0.26 -0.32 0.00 -2.87 0.00 0.00 58.31 55.43 2rks n LYS 38 Cb 0.42 -4.67 -0.08 0.00 -1.84 0.00 0.00 35.03 28.86 2rks n LYS 38 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2rks s VAL 39 N -1.10 4.39 -0.32 -0.18 -7.23 -1.23 -0.37 120.40 114.36 2rks s VAL 39 Ca 0.00 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 2rks s VAL 39 Cb 0.00 -3.04 0.10 0.00 0.56 0.00 0.00 36.38 34.00 2rks s VAL 39 CO 0.00 0.26 0.07 -0.62 -0.31 0.00 0.00 175.10 174.50 2rks s ASP 40 N -1.96 4.34 0.37 4.85 2.15 0.77 -4.74 116.67 122.46 2rks s ASP 40 Ca 0.24 -1.85 0.02 0.00 0.43 0.00 0.00 52.55 51.40 2rks s ASP 40 Cb -0.12 -1.20 -0.02 0.00 -0.30 0.00 0.00 42.92 41.28 2rks s ASP 40 CO 0.16 -0.39 0.55 0.42 -0.17 0.00 0.00 175.17 175.74 2rks s THR 41 N 1.30 4.50 0.48 1.71 -4.23 -1.26 -1.06 115.64 117.07 2rks s THR 41 Ca 0.10 -0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 59.75 2rks s THR 41 Cb -0.18 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 69.95 2rks s THR 41 CO -0.17 -0.36 1.02 -2.84 -0.54 0.00 0.00 174.62 171.73 2rks s PRO 42 N -4.33 3.86 0.58 3.99 0.02 -1.26 -5.01 135.00 132.84 2rks s PRO 42 Ca 0.43 1.32 -0.18 0.00 0.02 0.00 0.00 61.00 62.59 2rks s PRO 42 Cb -0.10 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 2rks s PRO 42 CO 0.35 -0.38 1.11 -1.21 -0.33 0.00 0.00 177.00 176.54 2rks s GLU 43 N -3.25 3.21 0.00 5.54 0.41 -1.26 -4.42 118.70 118.93 2rks s GLU 43 Ca 0.66 1.47 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 2rks s GLU 43 Cb -0.15 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 2rks s GLU 43 CO 0.19 -0.93 0.00 0.25 -0.49 0.00 0.00 175.26 174.28 2rks n THR 44 N -1.71 0.00 -3.49 3.63 -2.24 -1.26 0.16 114.28 109.38 2rks n THR 44 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 2rks n THR 44 Cb 0.52 0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.66 2rks n THR 44 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2rks s LYS 45 N -1.27 0.67 -0.03 -0.78 -2.85 -1.25 -4.49 119.74 109.74 2rks s LYS 45 Ca 0.00 -1.47 0.01 0.00 -1.00 0.00 0.00 55.97 53.51 2rks s LYS 45 Cb 0.00 -1.44 0.03 0.00 -2.06 0.00 0.00 37.83 34.35 2rks s LYS 45 CO 0.00 -1.22 -0.01 -1.58 0.10 0.00 0.00 175.35 172.64 2rks s HIS 46 N 0.91 0.42 0.09 1.78 2.46 -1.04 -5.02 115.29 114.89 2rks s HIS 46 Ca 0.19 -0.05 -0.29 0.00 0.47 0.00 0.00 55.06 55.38 2rks s HIS 46 Cb -0.21 -0.46 -0.13 0.00 -0.13 0.00 0.00 32.58 31.64 2rks s HIS 46 CO -0.00 -0.14 1.64 -1.00 -2.47 0.00 0.00 174.74 172.76 2rks h PRO 47 N 7.20 -0.58 -6.20 2.88 0.13 -1.99 -2.09 132.00 131.35 2rks h PRO 47 Ca -0.42 0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.20 2rks h PRO 47 Cb 1.14 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2rks h PRO 47 CO 0.48 -0.39 0.11 0.15 -0.23 0.00 0.00 178.00 178.12 2rks s LYS 48 N -6.06 4.45 0.00 0.86 -0.14 -1.26 -4.10 119.74 113.48 2rks s LYS 48 Ca -0.16 0.96 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 2rks s LYS 48 Cb 0.06 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.83 2rks s LYS 48 CO 0.64 0.25 0.00 1.63 -0.76 0.00 0.00 175.35 177.11 2rks n LYS 49 N 3.00 0.00 0.00 1.68 5.02 -1.26 -4.90 118.16 121.70 2rks n LYS 49 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2rks n LYS 49 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2rks n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rks n GLY 50 N 0.00 1.46 3.35 0.72 0.00 -0.79 -4.76 105.19 105.17 2rks n GLY 50 Ca 0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2rks n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rks s VAL 51 N 0.00 4.17 0.49 1.61 1.01 -1.26 -2.50 120.40 123.91 2rks s VAL 51 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 2rks s VAL 51 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2rks s VAL 51 CO 0.00 -0.03 0.93 -1.61 0.00 0.00 0.00 175.10 174.38 2rks s GLU 52 N 1.51 3.88 0.26 2.72 2.02 0.12 -4.97 118.70 124.25 2rks s GLU 52 Ca 0.02 0.80 -0.30 0.00 0.02 0.00 0.00 54.97 55.51 2rks s GLU 52 Cb -0.18 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 31.74 2rks s GLU 52 CO 0.04 -0.22 1.54 0.21 0.02 0.00 0.00 175.26 176.86 2rks s LYS 53 N -4.06 4.19 0.00 1.61 2.20 -1.26 -0.88 119.74 121.53 2rks s LYS 53 Ca 0.56 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.63 2rks s LYS 53 Cb -0.10 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2rks s LYS 53 CO 0.32 -0.56 0.00 0.66 -0.36 0.00 0.00 175.35 175.41 2rks n TYR 54 N 2.56 0.00 0.09 4.03 4.01 -1.26 -4.83 117.16 121.76 2rks n TYR 54 Ca 0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.70 2rks n TYR 54 Cb 0.38 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 2rks n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2rks h GLY 55 N 0.00 -0.15 1.55 2.72 0.00 -1.22 -0.80 103.07 105.17 2rks h GLY 55 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2rks h GLY 55 CO 0.00 -0.05 -0.18 -2.55 0.00 0.00 0.00 176.54 173.75 2rks h PRO 56 N -0.19 0.54 -0.54 4.80 0.11 -1.83 -2.42 132.00 132.46 2rks h PRO 56 Ca -0.01 -0.18 -0.06 0.00 0.11 0.00 0.00 66.00 65.85 2rks h PRO 56 Cb 0.15 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2rks h PRO 56 CO 0.02 0.70 0.09 0.93 -0.21 0.00 0.00 178.00 179.53 2rks h GLU 57 N 0.49 0.90 -0.56 1.05 3.07 -1.92 -0.15 114.58 117.45 2rks h GLU 57 Ca 0.08 -0.24 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 2rks h GLU 57 Cb 0.59 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2rks h GLU 57 CO 0.04 0.87 0.21 0.00 -1.40 0.00 0.00 179.01 178.73 2rks h ALA 58 N 0.99 0.73 -0.79 3.43 0.00 -0.99 -0.51 119.26 122.13 2rks h ALA 58 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2rks h ALA 58 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2rks h ALA 58 CO 0.01 0.36 0.32 0.77 0.00 0.00 0.00 179.25 180.70 2rks h SER 59 N 0.77 1.08 -0.52 0.00 0.02 -1.21 -2.10 113.55 111.60 2rks h SER 59 Ca 0.19 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2rks h SER 59 Cb 0.22 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2rks h SER 59 CO -0.01 0.96 -0.02 0.00 -1.14 0.00 0.00 176.83 176.62 2rks h ALA 60 N 1.19 0.71 0.37 3.77 0.00 -0.52 -2.12 119.26 122.66 2rks h ALA 60 Ca 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2rks h ALA 60 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2rks h ALA 60 CO -0.02 0.54 -0.20 0.35 0.00 0.00 0.00 179.25 179.92 2rks h PHE 61 N 0.81 -0.53 -0.62 0.00 3.57 -0.88 0.14 116.94 119.43 2rks h PHE 61 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2rks h PHE 61 Cb 0.55 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 2rks h PHE 61 CO 0.04 -0.32 0.40 1.15 -2.23 0.00 0.00 178.31 177.35 2rks h THR 62 N -0.54 1.13 0.18 4.41 2.02 -1.39 -0.14 112.91 118.58 2rks h THR 62 Ca -0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2rks h THR 62 Cb 0.43 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2rks h THR 62 CO 0.06 0.15 -0.09 0.50 0.37 0.00 0.00 175.52 176.51 2rks h LYS 63 N 0.81 -0.23 -0.78 6.66 3.64 -1.24 -1.10 116.57 124.33 2rks h LYS 63 Ca 0.24 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2rks h LYS 63 Cb -0.05 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2rks h LYS 63 CO -0.07 -0.16 0.48 -0.22 -2.27 0.00 0.00 179.45 177.21 2rks h LYS 64 N -0.24 1.05 -0.47 1.90 3.64 -0.65 -0.65 116.57 121.14 2rks h LYS 64 Ca -0.02 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2rks h LYS 64 Cb 0.19 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2rks h LYS 64 CO 0.04 0.73 0.26 1.98 -2.27 0.00 0.00 179.45 180.20 2rks h MET 65 N 1.06 0.66 0.00 1.90 4.05 -0.71 -1.36 114.93 120.53 2rks h MET 65 Ca 0.28 -0.07 -0.17 0.00 -0.28 0.00 0.00 59.70 59.45 2rks h MET 65 Cb -0.05 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 2rks h MET 65 CO -0.05 0.51 -0.83 -0.39 0.23 0.00 0.00 176.91 176.37 2rks h VAL 66 N 0.63 1.49 -0.06 -5.77 -1.51 -1.08 -3.08 116.25 106.87 2rks h VAL 66 Ca 0.17 -2.96 -0.19 0.00 -1.23 0.00 0.00 66.70 62.48 2rks h VAL 66 Cb 0.04 2.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2rks h VAL 66 CO -0.03 0.82 -0.78 -0.33 -1.23 0.00 0.00 177.57 176.02 2rks h GLU 67 N 0.00 0.41 0.00 5.19 5.08 -0.97 -3.10 114.58 121.18 2rks h GLU 67 Ca -0.01 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2rks h GLU 67 Cb 1.58 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2rks h GLU 67 CO 0.11 1.00 -0.03 0.09 -1.00 0.00 0.00 179.01 179.18 2rks n ASN 68 N -3.81 0.41 -4.77 1.42 3.02 -0.52 -4.87 115.26 106.14 2rks n ASN 68 Ca -0.05 0.50 -0.39 0.00 -0.03 0.00 0.00 54.58 54.62 2rks n ASN 68 Cb 0.74 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 2rks n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rks s ALA 69 N -3.05 3.19 -0.08 5.41 0.00 -1.16 -4.93 121.76 121.14 2rks s ALA 69 Ca 0.12 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 2rks s ALA 69 Cb 0.16 -3.43 -0.26 0.00 0.00 0.00 0.00 23.12 19.59 2rks s ALA 69 CO 0.57 -0.67 0.53 -0.22 0.00 0.00 0.00 175.76 175.98 2rks h LYS 70 N 2.65 0.21 -4.46 0.00 3.64 -1.89 -3.46 116.57 113.25 2rks h LYS 70 Ca -0.49 -0.36 -0.50 0.00 -1.27 0.00 0.00 60.65 58.03 2rks h LYS 70 Cb 1.24 0.13 -0.34 0.00 -0.41 0.00 0.00 32.23 32.86 2rks h LYS 70 CO 0.62 1.03 -0.81 0.15 -2.27 0.00 0.00 179.45 178.18 2rks s LYS 71 N -2.58 1.59 -0.08 1.90 1.02 -1.26 -5.01 119.74 115.32 2rks s LYS 71 Ca -0.16 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2rks s LYS 71 Cb 0.07 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.99 2rks s LYS 71 CO 0.80 -0.01 -0.06 0.42 -0.92 0.00 0.00 175.35 175.58 2rks s ILE 72 N 0.79 3.77 0.03 2.17 -1.09 -1.26 -0.92 121.20 124.69 2rks s ILE 72 Ca -0.12 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2rks s ILE 72 Cb -0.15 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.15 2rks s ILE 72 CO 0.02 0.59 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.61 2rks s GLU 73 N -0.67 0.69 -0.11 2.79 2.02 -0.56 -1.87 118.70 121.00 2rks s GLU 73 Ca 0.10 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 2rks s GLU 73 Cb -0.11 -0.61 -0.03 0.00 0.10 0.00 0.00 34.13 33.48 2rks s GLU 73 CO 0.02 0.14 -0.05 0.08 0.02 0.00 0.00 175.26 175.48 2rks s VAL 74 N -0.92 3.86 -0.26 2.63 1.01 0.17 -1.27 120.40 125.61 2rks s VAL 74 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2rks s VAL 74 Cb -0.08 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.75 2rks s VAL 74 CO 0.01 0.55 0.06 -0.70 0.00 0.00 0.00 175.10 175.01 2rks s GLU 75 N -0.22 0.77 0.53 2.72 2.12 0.07 0.13 118.70 124.82 2rks s GLU 75 Ca 0.04 -0.81 -0.18 0.00 0.36 0.00 0.00 54.97 54.38 2rks s GLU 75 Cb -0.13 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 2rks s GLU 75 CO 0.02 -0.82 1.05 -0.06 -0.54 0.00 0.00 175.26 174.91 2rks s PHE 76 N 1.70 2.98 0.00 5.30 0.08 -1.26 -1.05 117.98 125.73 2rks s PHE 76 Ca 0.04 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2rks s PHE 76 Cb -0.17 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 2rks s PHE 76 CO -0.17 -0.98 0.00 -3.47 -0.10 0.00 0.00 175.22 170.50 2rks n ASP 77 N -1.41 0.00 -0.02 1.36 -0.08 -1.26 -4.62 116.55 110.52 2rks n ASP 77 Ca 0.09 -0.65 0.14 0.00 -1.51 0.00 0.00 54.79 52.86 2rks n ASP 77 Cb 0.53 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.52 2rks n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2rks n LYS 78 N -0.65 0.12 0.00 -0.67 4.76 -1.26 -4.91 118.16 115.55 2rks n LYS 78 Ca 0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2rks n LYS 78 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2rks n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2rks n GLY 79 N 1.46 2.38 3.77 0.72 0.00 -1.08 -4.89 105.19 107.55 2rks n GLY 79 Ca 0.08 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 2rks n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rks s GLN 80 N 4.25 4.24 0.00 1.61 -0.21 -0.58 -4.91 119.66 124.06 2rks s GLN 80 Ca 0.00 2.38 0.22 0.00 0.02 0.00 0.00 55.36 57.98 2rks s GLN 80 Cb 0.00 -3.03 -0.12 0.00 1.00 0.00 0.00 33.01 30.85 2rks s GLN 80 CO 0.00 -0.38 0.99 0.54 -2.12 0.00 0.00 175.29 174.32 2rks n ARG 81 N 0.97 0.55 -3.91 2.91 1.74 -1.26 -4.74 116.66 112.91 2rks n ARG 81 Ca 0.02 -0.45 -0.11 0.00 -0.77 0.00 0.00 57.85 56.54 2rks n ARG 81 Cb 0.40 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 2rks n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2rks s THR 82 N -2.76 0.05 0.78 0.55 -4.23 -1.26 0.32 115.64 109.08 2rks s THR 82 Ca 0.13 -0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 2rks s THR 82 Cb 0.17 -0.14 0.16 0.00 1.34 0.00 0.00 72.50 74.02 2rks s THR 82 CO 0.73 -0.22 1.06 1.51 -0.54 0.00 0.00 174.62 177.16 2rks s ASP 83 N -0.66 4.03 0.56 3.99 1.47 0.03 -4.91 116.67 121.19 2rks s ASP 83 Ca -0.07 -0.43 0.37 0.00 1.18 0.00 0.00 52.55 53.60 2rks s ASP 83 Cb -0.05 0.19 1.92 0.00 -0.34 0.00 0.00 42.92 44.64 2rks s ASP 83 CO -0.00 -2.09 2.13 0.07 0.68 0.00 0.00 175.17 175.96 2rks h LYS 84 N -0.74 0.00 -0.39 2.11 2.10 -2.02 -0.17 116.57 117.46 2rks h LYS 84 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2rks h LYS 84 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2rks h LYS 84 CO 0.36 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.47 2rks n TYR 85 N -2.89 0.50 -1.01 0.07 4.01 -1.26 -4.94 117.16 111.65 2rks n TYR 85 Ca -0.02 -0.25 -0.00 0.00 -0.16 0.00 0.00 57.90 57.47 2rks n TYR 85 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2rks n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rks n GLY 86 N 1.38 0.47 3.80 2.72 0.00 -0.08 -5.04 105.19 108.45 2rks n GLY 86 Ca 0.18 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 2rks n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rks s ARG 87 N -0.68 4.35 0.43 1.61 0.52 -1.26 -4.76 118.95 119.17 2rks s ARG 87 Ca 0.00 0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 55.92 2rks s ARG 87 Cb 0.00 -3.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.34 2rks s ARG 87 CO 0.00 0.48 1.16 0.20 0.02 0.00 0.00 175.30 177.17 2rks s GLY 88 N -1.41 2.82 -0.35 -3.53 0.00 0.26 -0.79 107.32 104.32 2rks s GLY 88 Ca 0.39 0.94 -0.07 0.00 0.00 0.00 0.00 44.72 45.98 2rks s GLY 88 CO 0.22 1.43 0.14 1.08 0.00 0.00 0.00 173.10 175.97 2rks s LEU 89 N -2.74 4.49 0.28 0.66 1.43 0.15 -0.91 118.68 122.05 2rks s LEU 89 Ca 0.60 -1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 2rks s LEU 89 Cb -0.29 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2rks s LEU 89 CO 0.36 -0.36 0.54 0.00 0.23 0.00 0.00 176.35 177.12 2rks s ALA 90 N 1.43 -0.26 -0.14 4.21 0.00 -1.14 -4.35 121.76 121.50 2rks s ALA 90 Ca -0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 2rks s ALA 90 Cb -0.20 1.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 2rks s ALA 90 CO 0.03 -0.88 0.33 0.71 0.00 0.00 0.00 175.76 175.95 2rks s TYR 91 N -3.68 3.50 -0.11 0.00 2.02 -0.21 -0.90 117.35 117.96 2rks s TYR 91 Ca 0.22 0.67 -0.00 0.00 -0.37 0.00 0.00 57.07 57.59 2rks s TYR 91 Cb -0.02 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 2rks s TYR 91 CO 0.11 0.28 -0.08 0.42 -1.57 0.00 0.00 175.55 174.70 2rks s ILE 92 N 0.32 3.52 0.00 2.71 -1.09 -1.26 -0.75 121.20 124.65 2rks s ILE 92 Ca 0.19 -0.52 0.07 0.00 -2.23 0.00 0.00 60.65 58.15 2rks s ILE 92 Cb -0.14 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.24 2rks s ILE 92 CO 0.06 0.55 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.81 2rks s TYR 93 N -0.18 2.51 -0.21 3.97 1.51 -0.40 0.25 117.35 124.80 2rks s TYR 93 Ca 0.02 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2rks s TYR 93 Cb -0.13 -1.51 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2rks s TYR 93 CO 0.03 0.14 -0.10 0.00 -1.11 0.00 0.00 175.55 174.51 2rks s ALA 94 N -0.78 2.07 -1.44 3.71 0.00 0.11 -1.49 121.76 123.94 2rks s ALA 94 Ca 0.12 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 2rks s ALA 94 Cb -0.10 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.72 2rks s ALA 94 CO 0.02 -0.92 0.71 -0.25 0.00 0.00 0.00 175.76 175.33 2rks n ASP 95 N 4.65 -2.19 0.00 0.00 8.00 -0.10 -0.64 116.55 126.27 2rks n ASP 95 Ca -0.14 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2rks n ASP 95 Cb 0.46 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 2rks n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rks n GLY 96 N -1.70 1.80 3.75 0.44 0.00 -1.26 -5.01 105.19 103.20 2rks n GLY 96 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2rks n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rks s LYS 97 N -0.05 3.80 -0.12 1.61 -0.14 0.19 -5.02 119.74 120.01 2rks s LYS 97 Ca 0.00 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.08 2rks s LYS 97 Cb 0.00 -3.24 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 2rks s LYS 97 CO 0.00 0.48 1.16 1.41 -0.76 0.00 0.00 175.35 177.64 2rks s MET 98 N -0.19 4.32 0.14 1.68 -2.45 -1.26 0.06 119.30 121.61 2rks s MET 98 Ca 0.09 1.58 -0.14 0.00 -1.25 0.00 0.00 55.69 55.97 2rks s MET 98 Cb -0.12 -3.62 0.02 0.00 1.25 0.00 0.00 34.83 32.37 2rks s MET 98 CO 0.01 -0.51 1.67 0.28 1.05 0.00 0.00 175.02 177.51 2rks h VAL 99 N 5.21 1.23 -0.28 10.11 2.07 -0.56 -1.46 116.25 132.57 2rks h VAL 99 Ca -0.30 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.53 2rks h VAL 99 Cb 1.13 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 2rks h VAL 99 CO 0.91 0.28 -0.14 0.78 0.02 0.00 0.00 177.57 179.42 2rks h ASN 100 N 0.63 -0.45 -0.44 0.57 4.21 -1.92 -0.75 115.58 117.44 2rks h ASN 100 Ca 0.15 0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.73 2rks h ASN 100 Cb 0.28 0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 2rks h ASN 100 CO -0.00 -0.17 0.13 -0.08 -1.29 0.00 0.00 177.43 176.01 2rks h GLU 101 N -0.10 0.68 -0.79 0.81 4.81 -1.88 -2.68 114.58 115.43 2rks h GLU 101 Ca 0.15 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2rks h GLU 101 Cb 0.32 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2rks h GLU 101 CO -0.34 0.67 0.52 0.00 -0.73 0.00 0.00 179.01 179.13 2rks h ALA 102 N 0.98 1.50 -0.31 2.92 0.00 -0.70 0.26 119.26 123.90 2rks h ALA 102 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2rks h ALA 102 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2rks h ALA 102 CO -0.00 0.44 0.06 -0.07 0.00 0.00 0.00 179.25 179.68 2rks h LEU 103 N 1.00 0.47 -0.25 0.00 3.38 -1.03 -1.75 115.31 117.14 2rks h LEU 103 Ca 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2rks h LEU 103 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2rks h LEU 103 CO -0.08 0.60 0.01 0.58 0.09 0.00 0.00 178.44 179.63 2rks h VAL 104 N 0.33 1.25 -0.25 1.22 2.07 -1.08 -1.16 116.25 118.64 2rks h VAL 104 Ca 0.09 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2rks h VAL 104 Cb 0.31 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2rks h VAL 104 CO 0.00 0.28 0.17 -0.09 0.02 0.00 0.00 177.57 177.95 2rks h ARG 105 N 0.23 0.18 -0.03 1.57 9.65 -0.42 -0.54 114.38 125.02 2rks h ARG 105 Ca 0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2rks h ARG 105 Cb 0.40 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2rks h ARG 105 CO 0.01 0.12 0.00 0.94 2.80 0.00 0.00 179.97 183.84 2rks n GLN 106 N -4.49 1.27 -2.16 0.20 -0.06 -0.67 -4.44 117.38 107.03 2rks n GLN 106 Ca 0.02 -0.40 -0.10 0.00 -2.00 0.00 0.00 57.00 54.52 2rks n GLN 106 Cb 0.19 -1.43 -0.01 0.00 -4.06 0.00 0.00 30.24 24.93 2rks n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2rks n GLY 107 N 1.02 -0.00 0.54 1.69 0.00 -0.21 -4.52 105.19 103.70 2rks n GLY 107 Ca 0.19 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.81 2rks n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rks n LEU 108 N -1.46 2.55 -3.52 0.99 4.77 -0.46 -1.52 117.00 118.36 2rks n LEU 108 Ca -0.12 -1.69 -0.14 0.00 -0.03 0.00 0.00 56.01 54.03 2rks n LEU 108 Cb 0.58 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2rks n LEU 108 CO 0.14 0.61 0.55 0.00 -1.33 0.00 0.00 177.39 177.36 2rks s ALA 109 N -0.96 -1.79 0.28 -1.18 0.00 -1.21 -4.51 121.76 112.39 2rks s ALA 109 Ca 0.19 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.43 2rks s ALA 109 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2rks s ALA 109 CO 0.14 -0.46 0.23 0.15 0.00 0.00 0.00 175.76 175.82 2rks s LYS 110 N -1.85 2.90 0.17 0.00 1.02 -0.23 -4.43 119.74 117.32 2rks s LYS 110 Ca -0.05 -1.11 -0.26 0.00 0.02 0.00 0.00 55.97 54.58 2rks s LYS 110 Cb -0.00 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 2rks s LYS 110 CO 0.01 0.31 0.80 0.08 -0.92 0.00 0.00 175.35 175.64 2rks s VAL 111 N -2.17 4.34 -0.05 3.17 1.01 -1.26 -0.16 120.40 125.28 2rks s VAL 111 Ca 0.35 1.77 0.01 0.00 0.00 0.00 0.00 61.98 64.11 2rks s VAL 111 Cb -0.07 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2rks s VAL 111 CO 0.26 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.80 2rks s ALA 112 N -1.07 3.03 -0.22 5.51 0.00 0.50 -4.81 121.76 124.70 2rks s ALA 112 Ca 0.37 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2rks s ALA 112 Cb -0.23 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 2rks s ALA 112 CO 0.27 0.59 0.32 0.71 0.00 0.00 0.00 175.76 177.65 2rks s TYR 113 N -0.88 3.34 -0.05 0.00 1.51 -1.26 -4.68 117.35 115.33 2rks s TYR 113 Ca 0.14 0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 2rks s TYR 113 Cb -0.11 -2.45 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 2rks s TYR 113 CO 0.04 -0.01 -0.02 0.28 -1.11 0.00 0.00 175.55 174.73 2rks n VAL 114 N 4.41 0.33 -3.20 0.71 0.31 -1.26 -5.09 118.33 114.54 2rks n VAL 114 Ca -0.11 -0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 2rks n VAL 114 Cb 0.51 -0.79 0.06 0.00 -0.91 0.00 0.00 33.84 32.72 2rks n VAL 114 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2rks n TYR 115 N -2.44 -2.44 -2.35 3.52 0.53 -1.26 -4.94 117.16 107.78 2rks n TYR 115 Ca -0.09 0.86 0.03 0.00 -1.02 0.00 0.00 57.90 57.67 2rks n TYR 115 Cb 0.63 -4.09 0.01 0.00 -1.03 0.00 0.00 39.34 34.86 2rks n TYR 115 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 2rks n LYS 116 N -3.12 0.00 -0.61 -0.72 5.02 -1.26 -4.96 118.16 112.51 2rks n LYS 116 Ca -0.06 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 2rks n LYS 116 Cb 0.61 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2rks n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rks n GLY 117 N 0.35 0.80 3.33 0.72 0.00 -1.26 -1.53 105.19 107.60 2rks n GLY 117 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2rks n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rks n ASN 118 N 0.00 5.54 0.00 1.61 3.02 -1.26 -2.63 115.26 121.55 2rks n ASN 118 Ca 0.00 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 2rks n ASN 118 Cb 0.00 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.77 2rks n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2rks n ASN 119 N 3.05 1.48 -0.18 6.41 3.02 -1.26 -4.86 115.26 122.93 2rks n ASN 119 Ca 0.26 -1.62 -0.03 0.00 -0.03 0.00 0.00 54.58 53.16 2rks n ASN 119 Cb 0.39 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.60 2rks n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2rks h THR 120 N 0.34 0.34 -0.59 3.41 2.02 -2.01 -2.68 112.91 113.74 2rks h THR 120 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 2rks h THR 120 Cb 0.43 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 2rks h THR 120 CO 0.00 0.00 0.18 1.41 0.37 0.00 0.00 175.52 177.48 2rks n HIS 121 N -5.42 2.00 -0.02 3.16 8.25 -1.26 -4.61 115.22 117.32 2rks n HIS 121 Ca 0.05 -0.94 -0.09 0.00 -0.26 0.00 0.00 57.72 56.48 2rks n HIS 121 Cb 0.32 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.82 2rks n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2rks h GLU 122 N 2.48 0.03 -0.43 -0.41 4.57 -1.84 -1.63 114.58 117.36 2rks h GLU 122 Ca 0.18 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2rks h GLU 122 Cb 2.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.57 2rks h GLU 122 CO 0.58 0.02 0.15 0.37 -1.18 0.00 0.00 179.01 178.94 2rks h GLN 123 N 0.03 0.66 -0.60 1.92 5.75 -1.84 0.30 115.11 121.33 2rks h GLN 123 Ca 0.08 -0.13 0.08 0.00 -0.15 0.00 0.00 58.65 58.52 2rks h GLN 123 Cb 0.10 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.49 2rks h GLN 123 CO -0.14 0.63 0.25 1.25 -2.65 0.00 0.00 178.83 178.17 2rks h LEU 124 N 0.55 0.29 -0.26 -2.39 5.85 -1.86 0.19 115.31 117.67 2rks h LEU 124 Ca 0.14 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 2rks h LEU 124 Cb 0.24 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2rks h LEU 124 CO -0.01 0.18 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.76 2rks h LEU 125 N 0.45 0.84 -1.28 2.25 3.38 -1.04 -2.27 115.31 117.65 2rks h LEU 125 Ca 0.29 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2rks h LEU 125 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2rks h LEU 125 CO -0.27 1.21 0.32 0.03 0.09 0.00 0.00 178.44 179.82 2rks h ARG 126 N 0.51 0.81 0.36 1.13 2.47 -0.52 0.12 114.38 119.26 2rks h ARG 126 Ca 0.02 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2rks h ARG 126 Cb 1.05 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 2rks h ARG 126 CO 0.10 0.60 -0.17 -0.22 0.56 0.00 0.00 179.97 180.84 2rks h LYS 127 N 0.82 -0.47 -0.82 0.04 3.64 -0.41 0.01 116.57 119.37 2rks h LYS 127 Ca 0.21 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 2rks h LYS 127 Cb 0.03 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2rks h LYS 127 CO -0.03 -0.27 0.54 0.00 -2.27 0.00 0.00 179.45 177.42 2rks h ALA 128 N 0.05 1.62 -0.25 5.00 0.00 -1.00 -2.11 119.26 122.57 2rks h ALA 128 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2rks h ALA 128 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rks h ALA 128 CO 0.08 0.25 -0.13 1.49 0.00 0.00 0.00 179.25 180.94 2rks h GLU 129 N 0.88 0.52 -1.00 0.00 4.81 -0.41 -1.87 114.58 117.51 2rks h GLU 129 Ca 0.36 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2rks h GLU 129 Cb 0.26 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2rks h GLU 129 CO -0.13 0.79 0.66 0.00 -0.73 0.00 0.00 179.01 179.60 2rks h ALA 130 N 0.72 1.30 -0.66 2.92 0.00 -0.60 -1.21 119.26 121.73 2rks h ALA 130 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2rks h ALA 130 Cb 0.64 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2rks h ALA 130 CO 0.04 0.60 0.14 0.37 0.00 0.00 0.00 179.25 180.40 2rks h GLN 131 N 1.31 1.07 -0.59 0.00 5.75 -1.26 0.23 115.11 121.63 2rks h GLN 131 Ca 0.38 -0.27 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2rks h GLN 131 Cb -0.07 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 2rks h GLN 131 CO -0.10 0.97 0.05 0.00 -2.65 0.00 0.00 178.83 177.09 2rks h ALA 132 N 1.06 0.97 -0.22 3.38 0.00 -0.97 -0.86 119.26 122.61 2rks h ALA 132 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2rks h ALA 132 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2rks h ALA 132 CO 0.01 0.63 0.01 -0.22 0.00 0.00 0.00 179.25 179.68 2rks h LYS 133 N 0.92 0.39 -0.68 0.00 3.64 -0.72 -0.89 116.57 119.23 2rks h LYS 133 Ca 0.18 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2rks h LYS 133 Cb 0.47 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2rks h LYS 133 CO 0.02 0.56 0.45 -0.22 -2.27 0.00 0.00 179.45 177.98 2rks h LYS 134 N 0.16 0.65 -0.00 1.90 3.64 -0.29 0.33 116.57 122.97 2rks h LYS 134 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2rks h LYS 134 Cb 0.37 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2rks h LYS 134 CO 0.01 0.43 -0.04 0.39 -2.27 0.00 0.00 179.45 177.97 2rks n GLU 135 N -4.48 0.99 -3.88 1.90 1.02 -0.35 -4.91 120.64 110.93 2rks n GLU 135 Ca 0.10 -0.28 -0.28 0.00 -0.02 0.00 0.00 57.16 56.68 2rks n GLU 135 Cb 0.25 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.19 2rks n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rks n LYS 136 N -0.76 -5.04 -2.93 3.49 5.02 0.12 -4.92 118.16 113.14 2rks n LYS 136 Ca 0.19 0.57 -0.41 0.00 -2.02 0.00 0.00 58.31 56.65 2rks n LYS 136 Cb 0.23 -5.30 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 2rks n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2rks s LEU 137 N -7.09 4.33 0.00 -0.35 0.20 -0.69 -2.95 118.68 112.13 2rks s LEU 137 Ca 0.43 1.35 0.00 0.00 0.69 0.00 0.00 54.13 56.59 2rks s LEU 137 Cb -0.22 -3.25 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 2rks s LEU 137 CO 0.84 -0.18 0.00 0.59 -0.29 0.00 0.00 176.35 177.31 2rks n ASN 138 N 3.88 0.00 0.21 3.68 3.02 -1.26 -0.54 115.26 124.25 2rks n ASN 138 Ca 0.01 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.70 2rks n ASN 138 Cb 0.51 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.40 2rks n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 2rks h ILE 139 N 0.00 0.00 -0.40 2.41 3.07 -1.59 0.94 117.51 121.93 2rks h ILE 139 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2rks h ILE 139 Cb 0.00 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.14 2rks h ILE 139 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2rks n TRP 140 N -2.45 0.52 1.98 0.16 7.02 0.30 -5.13 117.44 119.84 2rks n TRP 140 Ca -0.02 -0.29 0.16 0.00 -1.02 0.00 0.00 57.50 56.33 2rks n TRP 140 Cb 0.09 -0.00 0.94 0.00 -2.42 0.00 0.00 31.31 29.92 2rks n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54