#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 s SER 2 N 0.00 -0.41 0.20 1.61 1.04 -1.26 -5.19 113.70 109.69 2ds4 s SER 2 Ca 0.00 0.79 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 2ds4 s SER 2 Cb 0.00 0.82 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 2ds4 s SER 2 CO 0.00 -0.13 0.25 -0.94 0.98 0.00 0.00 173.24 173.40 2ds4 s SER 3 N 0.26 0.08 0.00 7.02 1.04 -1.26 -5.05 113.70 115.79 2ds4 s SER 3 Ca 0.03 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2ds4 s SER 3 Cb -0.05 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2ds4 s SER 3 CO -0.08 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2ds4 n GLY 4 N -0.27 -0.17 4.02 7.32 0.00 -1.26 -5.13 105.19 109.69 2ds4 n GLY 4 Ca -0.01 0.77 -0.21 0.00 0.00 0.00 0.00 46.02 46.57 2ds4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 5 N 0.00 4.91 -0.22 1.61 0.15 -1.26 -4.88 113.70 114.01 2ds4 s SER 5 Ca 0.00 -0.68 -0.07 0.00 0.70 0.00 0.00 55.95 55.90 2ds4 s SER 5 Cb 0.00 0.14 -0.11 0.00 -1.71 0.00 0.00 66.02 64.35 2ds4 s SER 5 CO 0.00 -1.46 -0.26 -0.24 1.20 0.00 0.00 173.24 172.48 2ds4 n SER 6 N -2.39 1.80 0.00 5.45 2.88 -1.26 -5.05 113.62 115.04 2ds4 n SER 6 Ca 0.15 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2ds4 n SER 6 Cb 0.61 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2ds4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ds4 n GLY 7 N 1.87 0.01 3.26 0.46 0.00 -1.26 -5.12 105.19 104.41 2ds4 n GLY 7 Ca -0.42 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ds4 n GLU 8 N -0.46 0.45 -3.06 1.61 0.28 -1.26 -5.05 120.64 113.15 2ds4 n GLU 8 Ca 0.00 -3.29 -0.39 0.00 -0.16 0.00 0.00 57.16 53.32 2ds4 n GLU 8 Cb 0.00 2.76 -0.06 0.00 1.43 0.00 0.00 31.44 35.57 2ds4 n GLU 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ds4 s VAL 9 N -3.29 4.55 -0.04 3.84 0.11 -1.26 -2.37 120.40 121.94 2ds4 s VAL 9 Ca 0.39 1.56 0.05 0.00 -2.93 0.00 0.00 61.98 61.05 2ds4 s VAL 9 Cb 0.02 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2ds4 s VAL 9 CO 0.27 0.49 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.72 2ds4 s ASP 10 N -0.85 2.38 -0.02 3.54 2.15 -1.04 -4.84 116.67 117.99 2ds4 s ASP 10 Ca 0.35 -0.39 -0.26 0.00 0.43 0.00 0.00 52.55 52.68 2ds4 s ASP 10 Cb -0.22 -0.55 -0.20 0.00 -0.30 0.00 0.00 42.92 41.66 2ds4 s ASP 10 CO 0.24 0.20 1.27 1.55 -0.17 0.00 0.00 175.17 178.25 2ds4 h PRO 11 N 6.04 0.02 -1.00 4.34 0.13 -1.88 -2.62 132.00 137.02 2ds4 h PRO 11 Ca -0.34 -0.01 0.29 0.00 -0.87 0.00 0.00 66.00 65.07 2ds4 h PRO 11 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2ds4 h PRO 11 CO 0.48 0.50 0.79 0.00 -0.23 0.00 0.00 178.00 179.54 2ds4 h ALA 12 N 0.52 2.90 0.05 -0.56 0.00 -1.89 0.53 119.26 120.80 2ds4 h ALA 12 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2ds4 h ALA 12 Cb 0.50 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2ds4 h ALA 12 CO 0.00 -1.31 -1.49 0.87 0.00 0.00 0.00 179.25 177.33 2ds4 h LYS 13 N 0.00 0.10 -6.72 0.00 1.79 -1.86 -3.37 116.57 106.51 2ds4 h LYS 13 Ca 0.47 -0.17 -0.57 0.00 -2.18 0.00 0.00 60.65 58.20 2ds4 h LYS 13 Cb 2.05 0.06 0.16 0.00 -1.58 0.00 0.00 32.23 32.93 2ds4 h LYS 13 CO -0.00 0.87 -0.03 0.00 -1.08 0.00 0.00 179.45 179.20 2ds4 n VAL 15 N -1.66 0.00 -4.37 0.00 0.24 -1.19 -3.87 118.33 107.48 2ds4 n VAL 15 Ca 0.13 -2.28 -0.19 0.00 -2.04 0.00 0.00 64.34 59.95 2ds4 n VAL 15 Cb 0.47 0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 2ds4 n VAL 15 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ds4 s LEU 16 N 0.00 2.11 -0.18 1.34 1.43 -1.26 -2.50 118.68 119.62 2ds4 s LEU 16 Ca 0.22 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2ds4 s LEU 16 Cb 0.01 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 2ds4 s LEU 16 CO 0.16 0.06 -0.09 -1.10 0.23 0.00 0.00 176.35 175.60 2ds4 s GLN 17 N -0.78 3.35 0.00 1.70 -0.21 -0.05 -4.99 119.66 118.68 2ds4 s GLN 17 Ca 0.02 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2ds4 s GLN 17 Cb -0.06 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.14 2ds4 s GLN 17 CO 0.00 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 2ds4 n GLY 18 N 4.24 2.76 0.16 3.09 0.00 -1.26 -2.66 105.19 111.52 2ds4 n GLY 18 Ca -0.18 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2ds4 n GLY 18 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ds4 h GLU 19 N 0.00 0.47 -3.22 1.61 3.07 -1.97 -3.31 114.58 111.23 2ds4 h GLU 19 Ca 0.00 -0.12 -0.80 0.00 -0.50 0.00 0.00 59.36 57.93 2ds4 h GLU 19 Cb 0.00 -0.06 -0.27 0.00 -0.84 0.00 0.00 28.75 27.58 2ds4 h GLU 19 CO 0.00 0.57 0.71 -0.40 -1.40 0.00 0.00 179.01 178.50 2ds4 n ASP 20 N -4.66 6.02 -0.12 1.42 5.68 -1.26 -4.68 116.55 118.96 2ds4 n ASP 20 Ca -0.03 -3.25 -0.16 0.00 -0.50 0.00 0.00 54.79 50.85 2ds4 n ASP 20 Cb 0.20 -1.33 -0.12 0.00 -1.14 0.00 0.00 41.12 38.73 2ds4 n ASP 20 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2ds4 n LEU 21 N 2.01 2.45 -1.61 -2.12 4.77 -1.25 -4.37 117.00 116.89 2ds4 n LEU 21 Ca 0.26 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 2ds4 n LEU 21 Cb 0.36 -0.63 0.25 0.00 -2.33 0.00 0.00 43.42 41.06 2ds4 n LEU 21 CO 0.63 0.84 0.80 1.41 -1.33 0.00 0.00 177.39 179.74 2ds4 n HIS 22 N -3.14 1.69 -3.77 -1.77 8.25 -1.26 -4.83 115.22 110.40 2ds4 n HIS 22 Ca -0.42 -0.78 -0.13 0.00 -0.26 0.00 0.00 57.72 56.14 2ds4 n HIS 22 Cb 1.00 -0.49 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 2ds4 n HIS 22 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ds4 s ARG 23 N -2.29 0.26 0.18 -0.41 3.52 -1.26 -3.13 118.95 115.82 2ds4 s ARG 23 Ca 0.40 0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 56.28 2ds4 s ARG 23 Cb 0.31 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 2ds4 s ARG 23 CO 0.10 -0.07 0.36 0.00 -0.81 0.00 0.00 175.30 174.88 2ds4 s ALA 24 N 0.48 -0.30 0.03 6.12 0.00 0.76 -4.89 121.76 123.96 2ds4 s ALA 24 Ca -0.03 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.33 2ds4 s ALA 24 Cb -0.04 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 2ds4 s ALA 24 CO -0.02 -0.70 -0.23 0.50 0.00 0.00 0.00 175.76 175.31 2ds4 s ARG 25 N -3.94 1.60 0.17 0.00 3.52 -1.26 -0.15 118.95 118.89 2ds4 s ARG 25 Ca 0.15 -0.95 -0.33 0.00 -0.13 0.00 0.00 55.73 54.46 2ds4 s ARG 25 Cb 0.02 -1.69 -0.15 0.00 -1.56 0.00 0.00 34.95 31.57 2ds4 s ARG 25 CO -0.01 0.44 1.35 -1.91 -0.81 0.00 0.00 175.30 174.36 2ds4 n GLU 26 N 2.00 1.58 -3.50 5.12 4.07 -0.72 -1.16 120.64 128.04 2ds4 n GLU 26 Ca -0.17 0.57 -0.24 0.00 -0.06 0.00 0.00 57.16 57.26 2ds4 n GLU 26 Cb 0.53 -2.19 0.07 0.00 -0.06 0.00 0.00 31.44 29.79 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ds4 n LYS 27 N 2.33 -7.46 -4.35 5.31 5.02 -0.06 -4.59 118.16 114.36 2ds4 n LYS 27 Ca 0.15 0.85 -0.29 0.00 -2.02 0.00 0.00 58.31 57.00 2ds4 n LYS 27 Cb 0.26 -5.87 -0.12 0.00 -0.02 0.00 0.00 35.03 29.28 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2ds4 s GLN 28 N -6.21 1.62 -0.56 1.97 -0.44 -0.31 -5.00 119.66 110.74 2ds4 s GLN 28 Ca 0.54 -1.30 -0.12 0.00 -2.50 0.00 0.00 55.36 51.98 2ds4 s GLN 28 Cb -0.24 -2.00 0.14 0.00 -1.64 0.00 0.00 33.01 29.27 2ds4 s GLN 28 CO 0.67 0.45 0.47 0.99 0.50 0.00 0.00 175.29 178.37 2ds4 s THR 29 N -1.22 4.80 -0.24 -0.34 2.01 -1.26 -3.96 115.64 115.42 2ds4 s THR 29 Ca 0.17 -1.82 -0.10 0.00 0.31 0.00 0.00 61.69 60.25 2ds4 s THR 29 Cb -0.10 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2ds4 s THR 29 CO 0.09 -0.86 0.16 0.00 -0.69 0.00 0.00 174.62 173.32 2ds4 s ALA 30 N 1.23 3.60 0.09 7.40 0.00 -0.74 -4.94 121.76 128.41 2ds4 s ALA 30 Ca 0.07 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2ds4 s ALA 30 Cb -0.25 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2ds4 s ALA 30 CO -0.00 -0.19 -0.15 -1.54 0.00 0.00 0.00 175.76 173.87 2ds4 s SER 31 N 1.05 1.91 0.23 0.00 1.04 -1.26 -1.48 113.70 115.20 2ds4 s SER 31 Ca 0.07 -0.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.75 2ds4 s SER 31 Cb -0.13 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 2ds4 s SER 31 CO 0.04 -0.08 0.30 0.72 0.98 0.00 0.00 173.24 175.20 2ds4 s PHE 32 N -1.56 0.85 -0.17 5.02 -0.71 -0.84 -4.99 117.98 115.58 2ds4 s PHE 32 Ca 0.03 -1.12 -0.02 0.00 -1.04 0.00 0.00 56.93 54.78 2ds4 s PHE 32 Cb -0.08 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.48 2ds4 s PHE 32 CO 0.03 -0.82 -0.09 0.99 -1.34 0.00 0.00 175.22 173.98 2ds4 s THR 33 N -4.01 3.18 -0.32 -4.49 2.01 -1.09 -2.68 115.64 108.23 2ds4 s THR 33 Ca 0.32 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 2ds4 s THR 33 Cb 0.03 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 2ds4 s THR 33 CO 0.12 0.48 0.22 -0.22 -0.69 0.00 0.00 174.62 174.53 2ds4 s LEU 34 N 0.86 4.38 0.25 4.42 2.96 -0.85 -0.87 118.68 129.83 2ds4 s LEU 34 Ca -0.03 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.42 2ds4 s LEU 34 Cb -0.15 -2.12 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 2ds4 s LEU 34 CO 0.01 -0.19 0.62 -0.76 -1.32 0.00 0.00 176.35 174.70 2ds4 s LEU 35 N 1.72 4.17 -0.15 -0.68 1.43 -1.04 -1.88 118.68 122.26 2ds4 s LEU 35 Ca 0.06 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 2ds4 s LEU 35 Cb -0.17 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.31 2ds4 s LEU 35 CO 0.10 -0.09 -0.20 0.00 0.23 0.00 0.00 176.35 176.40 2ds4 s LYS 37 N 1.01 2.07 0.74 0.00 3.01 -1.26 -3.98 119.74 121.33 2ds4 s LYS 37 Ca -0.03 -2.24 -0.03 0.00 -1.01 0.00 0.00 55.97 52.65 2ds4 s LYS 37 Cb -0.15 -1.59 0.13 0.00 -1.01 0.00 0.00 37.83 35.21 2ds4 s LYS 37 CO -0.05 -0.20 1.03 0.16 0.51 0.00 0.00 175.35 176.79 2ds4 s ASP 38 N -3.79 4.28 0.60 2.83 -4.77 0.43 -2.50 116.67 113.74 2ds4 s ASP 38 Ca 0.21 -0.18 0.29 0.00 -3.30 0.00 0.00 52.55 49.57 2ds4 s ASP 38 Cb 0.06 -0.21 1.53 0.00 -1.09 0.00 0.00 42.92 43.21 2ds4 s ASP 38 CO 0.11 -1.91 1.94 0.00 0.70 0.00 0.00 175.17 176.01 2ds4 h ALA 39 N -0.65 2.00 0.00 2.11 0.00 -1.80 0.51 119.26 121.43 2ds4 h ALA 39 Ca -0.39 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2ds4 h ALA 39 Cb 1.27 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2ds4 h ALA 39 CO 0.42 -0.59 -0.58 0.00 0.00 0.00 0.00 179.25 178.51 2ds4 h ALA 40 N 1.50 0.69 0.00 0.00 0.00 -1.92 -3.48 119.26 116.06 2ds4 h ALA 40 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ds4 h ALA 40 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ds4 h ALA 40 CO -0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2ds4 n GLY 41 N 1.23 1.38 3.56 0.00 0.00 0.18 -5.11 105.19 106.43 2ds4 n GLY 41 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2ds4 n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 42 N -0.33 2.00 0.32 1.61 -1.05 -1.26 -4.78 118.70 115.20 2ds4 s GLU 42 Ca 0.00 -1.56 -0.29 0.00 -0.15 0.00 0.00 54.97 52.96 2ds4 s GLU 42 Cb 0.00 -1.98 -0.11 0.00 -0.44 0.00 0.00 34.13 31.60 2ds4 s GLU 42 CO 0.00 0.35 1.49 0.42 0.95 0.00 0.00 175.26 178.47 2ds4 s ILE 43 N -2.36 2.27 -0.17 1.83 -1.09 -1.26 -0.43 121.20 119.99 2ds4 s ILE 43 Ca 0.30 0.25 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 2ds4 s ILE 43 Cb -0.06 -3.16 -0.15 0.00 -1.58 0.00 0.00 42.46 37.52 2ds4 s ILE 43 CO 0.17 0.05 -0.08 1.15 -1.23 0.00 0.00 174.94 175.00 2ds4 n MET 44 N 1.45 0.91 -2.51 2.79 0.00 -1.26 -4.74 117.12 113.77 2ds4 n MET 44 Ca 0.04 0.06 -0.06 0.00 0.00 0.00 0.00 57.70 57.75 2ds4 n MET 44 Cb 0.39 -1.38 0.03 0.00 0.00 0.00 0.00 33.22 32.26 2ds4 n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ds4 n GLY 45 N 2.40 0.23 3.62 3.17 0.00 -1.26 -4.18 105.19 109.17 2ds4 n GLY 45 Ca -0.30 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2ds4 n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ds4 s ARG 46 N -4.56 0.82 0.00 1.61 1.70 -1.26 -4.92 118.95 112.33 2ds4 s ARG 46 Ca 0.02 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.30 2ds4 s ARG 46 Cb -0.01 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 2ds4 s ARG 46 CO 0.23 -0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.76 2ds4 n GLY 47 N 2.84 0.93 2.42 3.88 0.00 -1.22 -4.51 105.19 109.54 2ds4 n GLY 47 Ca -0.15 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 2ds4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ds4 n GLY 48 N 5.00 -0.03 3.80 -0.02 0.00 -1.26 -5.03 105.19 107.65 2ds4 n GLY 48 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ds4 s ASP 49 N -2.76 4.99 -0.47 1.61 1.11 -1.26 -5.10 116.67 114.79 2ds4 s ASP 49 Ca 0.14 -0.65 -0.05 0.00 0.18 0.00 0.00 52.55 52.16 2ds4 s ASP 49 Cb -0.06 -0.81 0.12 0.00 1.07 0.00 0.00 42.92 43.24 2ds4 s ASP 49 CO 0.17 -0.37 0.30 0.20 1.18 0.00 0.00 175.17 176.65 2ds4 s ASN 50 N -3.95 5.45 -0.06 0.27 0.01 -1.26 -5.03 114.94 110.37 2ds4 s ASN 50 Ca 0.40 -2.12 -0.06 0.00 -0.71 0.00 0.00 52.86 50.37 2ds4 s ASN 50 Cb -0.04 -1.91 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 2ds4 s ASN 50 CO 0.25 -0.57 0.19 -0.69 -1.51 0.00 0.00 177.10 174.77 2ds4 s VAL 51 N 1.03 5.42 -0.04 1.60 1.01 -1.26 -0.73 120.40 127.42 2ds4 s VAL 51 Ca 0.09 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2ds4 s VAL 51 Cb -0.23 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2ds4 s VAL 51 CO -0.03 0.49 -0.08 -1.10 0.00 0.00 0.00 175.10 174.38 2ds4 s GLN 52 N -1.41 1.03 -0.19 2.72 -1.52 -0.73 -5.01 119.66 114.55 2ds4 s GLN 52 Ca 0.21 -0.25 -0.02 0.00 -1.95 0.00 0.00 55.36 53.35 2ds4 s GLN 52 Cb -0.13 -0.95 0.05 0.00 -0.22 0.00 0.00 33.01 31.77 2ds4 s GLN 52 CO 0.11 0.03 0.01 0.08 -0.25 0.00 0.00 175.29 175.27 2ds4 s VAL 53 N 0.51 0.75 -0.20 1.09 1.01 -1.24 -2.66 120.40 119.66 2ds4 s VAL 53 Ca -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2ds4 s VAL 53 Cb -0.12 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.18 2ds4 s VAL 53 CO 0.01 -0.11 0.03 0.00 0.00 0.00 0.00 175.10 175.03 2ds4 s ALA 54 N 1.76 1.08 -0.08 5.51 0.00 -0.70 -4.95 121.76 124.39 2ds4 s ALA 54 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 2ds4 s ALA 54 Cb -0.17 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 2ds4 s ALA 54 CO -0.07 -1.17 0.33 0.08 0.00 0.00 0.00 175.76 174.93 2ds4 s VAL 55 N 1.82 5.21 -0.06 0.00 1.01 -1.26 -0.86 120.40 126.27 2ds4 s VAL 55 Ca -0.01 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 2ds4 s VAL 55 Cb -0.17 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2ds4 s VAL 55 CO -0.08 0.51 0.12 -0.69 0.00 0.00 0.00 175.10 174.96 2ds4 s VAL 56 N -0.49 -0.05 -0.01 2.92 1.01 -1.08 -3.61 120.40 119.10 2ds4 s VAL 56 Ca 0.20 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2ds4 s VAL 56 Cb -0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 2ds4 s VAL 56 CO 0.09 0.08 1.45 -2.16 0.00 0.00 0.00 175.10 174.55 2ds4 s PRO 57 N 1.14 4.26 0.58 2.72 0.04 -1.26 -0.90 135.00 141.58 2ds4 s PRO 57 Ca -0.09 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.26 2ds4 s PRO 57 Cb -0.12 -3.63 1.47 0.00 0.04 0.00 0.00 34.50 32.27 2ds4 s PRO 57 CO -0.05 -0.63 1.90 0.87 0.04 0.00 0.00 177.00 179.13 2ds4 h LYS 58 N 8.09 0.00 0.05 4.56 1.79 -1.67 -2.75 116.57 126.63 2ds4 h LYS 58 Ca -0.38 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2ds4 h LYS 58 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2ds4 h LYS 58 CO 0.92 0.00 -0.02 -0.44 -1.08 0.00 0.00 179.45 178.82 2ds4 h ASP 59 N 0.00 -0.06 -3.22 0.86 3.32 -1.90 -3.45 116.42 111.98 2ds4 h ASP 59 Ca 0.24 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.71 2ds4 h ASP 59 Cb 1.23 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 2ds4 h ASP 59 CO -0.00 0.01 -0.08 -0.54 -1.72 0.00 0.00 179.24 176.90 2ds4 s LYS 60 N -1.87 4.18 0.00 3.56 -0.14 -1.04 -4.98 119.74 119.47 2ds4 s LYS 60 Ca -0.01 0.63 0.17 0.00 -1.36 0.00 0.00 55.97 55.40 2ds4 s LYS 60 Cb 0.00 -3.29 -0.18 0.00 -1.68 0.00 0.00 37.83 32.68 2ds4 s LYS 60 CO 0.03 0.52 0.66 1.63 -0.76 0.00 0.00 175.35 177.43 2ds4 n LYS 61 N 2.26 0.64 -0.02 1.68 5.02 -1.26 -3.97 118.16 122.49 2ds4 n LYS 61 Ca -0.10 0.16 -0.01 0.00 -2.02 0.00 0.00 58.31 56.34 2ds4 n LYS 61 Cb 0.51 -1.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2ds4 n LYS 61 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2ds4 h ASP 62 N 0.00 0.00 0.00 4.39 3.32 -1.93 -3.46 116.42 118.74 2ds4 h ASP 62 Ca -0.22 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.55 2ds4 h ASP 62 Cb 1.68 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.16 2ds4 h ASP 62 CO 0.04 0.25 1.17 -1.20 -1.72 0.00 0.00 179.24 177.79 2ds4 n SER 63 N -3.07 -0.29 -4.51 6.45 7.64 -1.26 -4.83 113.62 113.75 2ds4 n SER 63 Ca -0.02 -0.08 -0.29 0.00 1.01 0.00 0.00 58.87 59.49 2ds4 n SER 63 Cb 0.08 -0.47 0.19 0.00 -1.01 0.00 0.00 64.21 63.00 2ds4 n SER 63 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ds4 s PRO 64 N 5.09 0.01 -0.04 1.43 0.04 -1.26 -4.53 135.00 135.74 2ds4 s PRO 64 Ca 0.84 0.37 0.06 0.00 0.04 0.00 0.00 61.00 62.31 2ds4 s PRO 64 Cb -0.68 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 2ds4 s PRO 64 CO 0.33 -2.98 -0.21 0.08 0.04 0.00 0.00 177.00 174.25 2ds4 s VAL 65 N -2.98 1.74 -0.07 -0.36 1.01 -1.24 -4.96 120.40 113.55 2ds4 s VAL 65 Ca 0.67 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2ds4 s VAL 65 Cb -0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2ds4 s VAL 65 CO 0.57 0.49 1.24 -0.13 0.00 0.00 0.00 175.10 177.27 2ds4 s ARG 66 N -0.18 4.32 0.29 2.72 1.81 -1.26 -4.74 118.95 121.91 2ds4 s ARG 66 Ca -0.01 1.71 0.03 0.00 -1.72 0.00 0.00 55.73 55.74 2ds4 s ARG 66 Cb -0.12 -3.60 -0.06 0.00 -0.45 0.00 0.00 34.95 30.73 2ds4 s ARG 66 CO 0.02 -0.51 0.07 0.95 -0.68 0.00 0.00 175.30 175.15 2ds4 s THR 67 N 2.48 0.88 -0.16 0.02 -4.23 -1.26 -2.23 115.64 111.13 2ds4 s THR 67 Ca 0.57 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2ds4 s THR 67 Cb -0.25 -2.70 0.06 0.00 1.34 0.00 0.00 72.50 70.95 2ds4 s THR 67 CO 0.21 -0.02 0.37 -0.32 -0.54 0.00 0.00 174.62 174.32 2ds4 s MET 68 N -3.96 0.31 -0.23 3.99 1.75 0.15 -4.97 119.30 116.35 2ds4 s MET 68 Ca 0.37 0.80 0.02 0.00 -1.25 0.00 0.00 55.69 55.63 2ds4 s MET 68 Cb 0.08 0.04 0.04 0.00 2.84 0.00 0.00 34.83 37.83 2ds4 s MET 68 CO 0.14 -0.20 -0.14 0.54 -0.65 0.00 0.00 175.02 174.72 2ds4 s VAL 69 N 1.77 2.09 -0.80 10.11 0.11 -1.26 -0.80 120.40 131.61 2ds4 s VAL 69 Ca -0.06 -1.34 -0.11 0.00 -2.93 0.00 0.00 61.98 57.54 2ds4 s VAL 69 Cb -0.10 -2.09 0.21 0.00 -1.53 0.00 0.00 36.38 32.87 2ds4 s VAL 69 CO -0.12 0.19 0.71 -1.58 -3.33 0.00 0.00 175.10 170.97 2ds4 s GLN 70 N 1.19 3.39 0.33 1.54 0.74 -0.40 -5.04 119.66 121.41 2ds4 s GLN 70 Ca -0.03 -2.57 -0.28 0.00 0.05 0.00 0.00 55.36 52.52 2ds4 s GLN 70 Cb -0.17 -4.25 -0.12 0.00 1.10 0.00 0.00 33.01 29.56 2ds4 s GLN 70 CO -0.08 -1.26 1.35 -0.40 -0.55 0.00 0.00 175.29 174.35 2ds4 n ASP 71 N 3.69 2.98 0.00 6.67 5.68 -1.26 -3.46 116.55 130.85 2ds4 n ASP 71 Ca 0.14 1.20 0.00 0.00 -0.50 0.00 0.00 54.79 55.63 2ds4 n ASP 71 Cb 0.44 -1.50 0.00 0.00 -1.14 0.00 0.00 41.12 38.91 2ds4 n ASP 71 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2ds4 n ASN 72 N 0.96 3.99 -3.08 -1.12 3.02 -1.26 -4.99 115.26 112.79 2ds4 n ASN 72 Ca 0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 2ds4 n ASN 72 Cb 0.36 0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 40.11 2ds4 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ds4 n LYS 73 N -1.46 -2.96 -0.01 3.52 4.01 -1.26 -4.78 118.16 115.22 2ds4 n LYS 73 Ca 0.00 0.44 0.01 0.00 -0.51 0.00 0.00 58.31 58.25 2ds4 n LYS 73 Cb 0.21 -5.09 0.02 0.00 -0.51 0.00 0.00 35.03 29.65 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ds4 n ASP 74 N -2.09 1.55 0.00 4.39 8.00 -1.26 -3.39 116.55 123.76 2ds4 n ASP 74 Ca -0.04 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.02 2ds4 n ASP 74 Cb 0.55 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ds4 n GLY 75 N -0.06 2.43 2.87 0.44 0.00 -1.26 -4.64 105.19 104.97 2ds4 n GLY 75 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2ds4 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ds4 s THR 76 N -2.22 0.41 0.10 2.61 -4.23 -1.26 -2.88 115.64 108.16 2ds4 s THR 76 Ca 0.00 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 2ds4 s THR 76 Cb 0.00 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 2ds4 s THR 76 CO 0.00 0.19 0.22 -0.31 -0.54 0.00 0.00 174.62 174.18 2ds4 s TYR 77 N 0.86 3.46 -0.31 3.99 1.51 -0.79 -4.44 117.35 121.64 2ds4 s TYR 77 Ca -0.10 0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 56.11 2ds4 s TYR 77 Cb -0.13 -1.70 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2ds4 s TYR 77 CO -0.00 0.55 0.00 -0.47 -1.11 0.00 0.00 175.55 174.52 2ds4 s TYR 78 N -1.60 3.32 -0.02 2.71 5.04 -1.22 -2.01 117.35 123.56 2ds4 s TYR 78 Ca 0.34 -2.04 0.02 0.00 -2.44 0.00 0.00 57.07 52.95 2ds4 s TYR 78 Cb -0.12 -2.22 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 2ds4 s TYR 78 CO 0.27 -0.84 -0.03 0.42 -1.34 0.00 0.00 175.55 174.03 2ds4 s ILE 79 N 1.20 3.93 -0.06 3.14 1.01 -1.09 -1.28 121.20 128.06 2ds4 s ILE 79 Ca -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2ds4 s ILE 79 Cb -0.20 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.60 2ds4 s ILE 79 CO -0.02 0.44 0.12 -0.44 0.00 0.00 0.00 174.94 175.04 2ds4 s SER 80 N -1.31 -0.08 0.08 3.58 0.01 0.02 -1.99 113.70 114.00 2ds4 s SER 80 Ca 0.17 0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.72 2ds4 s SER 80 Cb -0.11 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2ds4 s SER 80 CO 0.07 -0.14 -0.12 -0.72 0.41 0.00 0.00 173.24 172.75 2ds4 s TYR 81 N 1.06 1.07 -0.23 2.43 -0.85 -0.55 0.32 117.35 120.60 2ds4 s TYR 81 Ca -0.08 -0.54 -0.04 0.00 -0.52 0.00 0.00 57.07 55.89 2ds4 s TYR 81 Cb -0.11 -0.60 0.08 0.00 0.38 0.00 0.00 41.96 41.71 2ds4 s TYR 81 CO -0.05 0.02 0.09 0.99 -1.52 0.00 0.00 175.55 175.08 2ds4 s THR 82 N -1.74 0.21 -0.25 -3.49 2.01 -0.95 -1.79 115.64 109.64 2ds4 s THR 82 Ca -0.00 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2ds4 s THR 82 Cb -0.07 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 2ds4 s THR 82 CO 0.01 -0.43 1.63 -2.16 -0.69 0.00 0.00 174.62 172.98 2ds4 s PRO 83 N 1.99 3.70 0.41 4.92 0.04 -1.25 -4.23 135.00 140.58 2ds4 s PRO 83 Ca 0.04 1.57 0.21 0.00 0.04 0.00 0.00 61.00 62.87 2ds4 s PRO 83 Cb -0.16 -4.06 0.83 0.00 0.04 0.00 0.00 34.50 31.14 2ds4 s PRO 83 CO -0.18 -1.41 1.79 0.87 0.04 0.00 0.00 177.00 178.11 2ds4 h LYS 84 N 11.08 0.00 -4.88 4.56 1.57 -1.95 -0.12 116.57 126.83 2ds4 h LYS 84 Ca -0.33 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.10 2ds4 h LYS 84 Cb 1.15 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.24 2ds4 h LYS 84 CO 1.01 0.29 -0.76 -1.21 -0.57 0.00 0.00 179.45 178.22 2ds4 s GLU 85 N -3.67 0.66 0.97 3.15 2.02 -1.26 -4.67 118.70 115.89 2ds4 s GLU 85 Ca 0.00 -0.76 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 2ds4 s GLU 85 Cb 0.11 -0.55 0.17 0.00 0.10 0.00 0.00 34.13 33.95 2ds4 s GLU 85 CO 0.66 0.12 1.09 -1.25 0.02 0.00 0.00 175.26 175.90 2ds4 s PRO 86 N -1.42 0.70 0.00 0.39 0.04 -1.26 -4.90 135.00 128.54 2ds4 s PRO 86 Ca -0.05 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2ds4 s PRO 86 Cb -0.09 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2ds4 s PRO 86 CO 0.01 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 174.89 2ds4 n GLY 87 N -1.09 0.41 3.77 0.56 0.00 -0.14 -4.92 105.19 103.78 2ds4 n GLY 87 Ca 0.06 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 2ds4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ds4 s VAL 88 N -0.94 4.50 0.36 1.61 0.11 -1.26 -0.10 120.40 124.68 2ds4 s VAL 88 Ca 0.00 1.67 0.05 0.00 -2.93 0.00 0.00 61.98 60.77 2ds4 s VAL 88 Cb 0.00 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 2ds4 s VAL 88 CO 0.00 0.47 0.04 -0.31 -3.33 0.00 0.00 175.10 171.97 2ds4 s TYR 89 N -0.75 2.16 -0.31 1.54 1.51 0.14 -1.79 117.35 119.86 2ds4 s TYR 89 Ca 0.37 -0.86 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2ds4 s TYR 89 Cb -0.22 -1.46 0.10 0.00 -0.11 0.00 0.00 41.96 40.26 2ds4 s TYR 89 CO 0.25 0.16 0.08 0.99 -1.11 0.00 0.00 175.55 175.92 2ds4 s THR 90 N -3.09 1.14 -0.43 -0.71 2.01 -0.08 -1.64 115.64 112.84 2ds4 s THR 90 Ca 0.36 -1.52 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 2ds4 s THR 90 Cb 0.09 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.80 2ds4 s THR 90 CO 0.16 -0.61 1.28 -0.69 -0.69 0.00 0.00 174.62 174.08 2ds4 s VAL 91 N 1.49 4.05 -0.57 3.82 1.01 -1.08 -2.62 120.40 126.50 2ds4 s VAL 91 Ca 0.09 1.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.91 2ds4 s VAL 91 Cb -0.18 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 31.87 2ds4 s VAL 91 CO -0.20 -0.85 0.91 0.26 0.00 0.00 0.00 175.10 175.21 2ds4 s TRP 92 N 4.94 2.79 -0.30 5.22 0.52 -0.04 -3.40 118.94 128.68 2ds4 s TRP 92 Ca 0.55 -0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.48 2ds4 s TRP 92 Cb -0.11 -4.06 0.07 0.00 -1.15 0.00 0.00 33.47 28.22 2ds4 s TRP 92 CO 0.32 -1.39 -0.03 0.08 0.02 0.00 0.00 176.95 175.95 2ds4 s VAL 93 N 3.82 2.49 -0.01 4.03 1.01 -1.25 -1.71 120.40 128.78 2ds4 s VAL 93 Ca 0.26 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.53 2ds4 s VAL 93 Cb -0.14 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 2ds4 s VAL 93 CO 0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 175.10 174.97 2ds4 s ILE 95 N -0.12 3.29 -1.17 0.00 1.01 0.33 -1.78 121.20 122.75 2ds4 s ILE 95 Ca 0.02 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2ds4 s ILE 95 Cb -0.04 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2ds4 s ILE 95 CO -0.00 0.43 0.98 0.29 0.00 0.00 0.00 174.94 176.64 2ds4 n LYS 96 N 4.78 -6.34 -3.60 2.79 5.02 0.09 -2.55 118.16 118.35 2ds4 n LYS 96 Ca -0.18 0.83 -0.24 0.00 -2.02 0.00 0.00 58.31 56.70 2ds4 n LYS 96 Cb 0.51 -5.80 0.08 0.00 -0.02 0.00 0.00 35.03 29.80 2ds4 n LYS 96 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ds4 n GLU 97 N -4.03 -7.68 -3.73 1.97 1.02 -1.26 -5.00 120.64 101.93 2ds4 n GLU 97 Ca -0.28 0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 57.56 2ds4 n GLU 97 Cb 0.66 -5.86 -0.11 0.00 -0.02 0.00 0.00 31.44 26.11 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2ds4 s GLN 98 N -6.22 0.35 -0.36 3.49 -0.21 -1.06 -5.13 119.66 110.52 2ds4 s GLN 98 Ca 0.52 0.59 -0.27 0.00 0.02 0.00 0.00 55.36 56.22 2ds4 s GLN 98 Cb -0.23 0.05 0.02 0.00 1.00 0.00 0.00 33.01 33.84 2ds4 s GLN 98 CO 0.74 -0.11 1.00 -3.38 -2.12 0.00 0.00 175.29 171.42 2ds4 s HIS 99 N 0.83 3.08 1.27 0.91 -3.43 -1.26 0.12 115.29 116.81 2ds4 s HIS 99 Ca -0.05 0.92 -0.21 0.00 -0.80 0.00 0.00 55.06 54.92 2ds4 s HIS 99 Cb -0.06 -3.74 0.31 0.00 -1.43 0.00 0.00 32.58 27.66 2ds4 s HIS 99 CO -0.06 -0.85 1.08 0.14 -2.00 0.00 0.00 174.74 173.05 2ds4 s VAL 100 N 3.64 1.47 0.97 -5.38 -7.23 -1.19 -4.52 120.40 108.16 2ds4 s VAL 100 Ca 0.42 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.47 2ds4 s VAL 100 Cb -0.11 -2.41 0.13 0.00 0.56 0.00 0.00 36.38 34.55 2ds4 s VAL 100 CO 0.19 0.00 0.84 1.67 -0.31 0.00 0.00 175.10 177.48 2ds4 n GLN 101 N -5.00 -0.71 -3.80 4.82 7.27 -1.22 -2.97 117.38 115.77 2ds4 n GLN 101 Ca 0.14 -0.16 -0.23 0.00 0.07 0.00 0.00 57.00 56.82 2ds4 n GLN 101 Cb 0.60 -2.15 -0.07 0.00 2.41 0.00 0.00 30.24 31.02 2ds4 n GLN 101 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ds4 n GLY 102 N 0.84 -0.11 3.64 1.69 0.00 -1.26 -4.87 105.19 105.12 2ds4 n GLY 102 Ca 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 103 N -3.85 -0.59 1.03 1.61 0.15 -1.16 -4.42 113.70 106.47 2ds4 s SER 103 Ca 0.06 1.09 -0.13 0.00 0.70 0.00 0.00 55.95 57.68 2ds4 s SER 103 Cb -0.04 1.14 0.21 0.00 -1.71 0.00 0.00 66.02 65.62 2ds4 s SER 103 CO 0.72 -0.19 1.09 -2.16 1.20 0.00 0.00 173.24 173.91 2ds4 s PRO 104 N 0.55 0.16 0.30 5.44 0.04 -1.26 -4.40 135.00 135.83 2ds4 s PRO 104 Ca -0.01 0.43 0.02 0.00 0.04 0.00 0.00 61.00 61.49 2ds4 s PRO 104 Cb -0.05 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2ds4 s PRO 104 CO -0.07 -2.89 0.31 -0.59 0.04 0.00 0.00 177.00 173.80 2ds4 s PHE 105 N -2.97 1.37 0.20 0.56 -0.12 -1.22 -5.01 117.98 110.80 2ds4 s PHE 105 Ca 0.66 -1.46 0.05 0.00 -0.05 0.00 0.00 56.93 56.13 2ds4 s PHE 105 Cb -0.18 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 2ds4 s PHE 105 CO 0.58 -0.90 0.25 0.95 -0.05 0.00 0.00 175.22 176.05 2ds4 s THR 106 N -3.53 4.92 -0.15 -4.49 -4.23 -1.26 -2.64 115.64 104.25 2ds4 s THR 106 Ca 0.37 -1.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2ds4 s THR 106 Cb 0.03 -3.59 0.07 0.00 1.34 0.00 0.00 72.50 70.34 2ds4 s THR 106 CO 0.21 -0.22 0.31 -0.69 -0.54 0.00 0.00 174.62 173.69 2ds4 s VAL 107 N -1.89 -0.48 -0.26 2.29 1.01 -0.65 -4.51 120.40 115.90 2ds4 s VAL 107 Ca 0.33 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 2ds4 s VAL 107 Cb -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2ds4 s VAL 107 CO 0.27 0.09 0.90 -0.89 0.00 0.00 0.00 175.10 175.47 2ds4 s THR 108 N 2.47 4.76 -0.43 3.92 2.01 -1.18 -0.68 115.64 126.50 2ds4 s THR 108 Ca 0.01 1.62 -0.15 0.00 0.31 0.00 0.00 61.69 63.48 2ds4 s THR 108 Cb -0.12 -4.20 0.04 0.00 0.01 0.00 0.00 72.50 68.23 2ds4 s THR 108 CO -0.10 -0.17 0.35 -0.69 -0.69 0.00 0.00 174.62 173.32 2ds4 s VAL 109 N 3.03 5.23 1.21 3.82 1.01 0.85 -0.17 120.40 135.38 2ds4 s VAL 109 Ca 0.38 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 2ds4 s VAL 109 Cb -0.15 -4.01 0.31 0.00 0.00 0.00 0.00 36.38 32.54 2ds4 s VAL 109 CO 0.09 -0.41 0.77 0.54 0.00 0.00 0.00 175.10 176.08 2ds4 n ARG 110 N 5.23 -4.17 -4.16 2.72 1.74 0.79 -0.96 116.66 117.85 2ds4 n ARG 110 Ca -0.11 -1.27 -0.32 0.00 -0.77 0.00 0.00 57.85 55.38 2ds4 n ARG 110 Cb 0.46 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 2ds4 n ARG 110 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ds4 s ARG 111 N -4.81 2.87 0.21 5.56 0.52 -1.26 -1.76 118.95 120.28 2ds4 s ARG 111 Ca 0.57 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.86 2ds4 s ARG 111 Cb -0.09 -2.73 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 2ds4 s ARG 111 CO 0.47 0.61 1.50 0.21 0.02 0.00 0.00 175.30 178.11 2ds4 s LYS 112 N -1.87 4.24 0.00 3.54 2.47 -1.26 -4.69 119.74 122.16 2ds4 s LYS 112 Ca 0.23 2.33 0.29 0.00 -1.56 0.00 0.00 55.97 57.27 2ds4 s LYS 112 Cb -0.12 -3.13 1.74 0.00 -1.46 0.00 0.00 37.83 34.87 2ds4 s LYS 112 CO 0.15 -0.51 2.08 0.72 0.16 0.00 0.00 175.35 177.95