#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 5.52 -0.07 1.61 0.01 -1.26 -4.92 113.70 114.59 2ds4 s SER 2 Ca 0.00 -1.72 0.02 0.00 1.31 0.00 0.00 55.95 55.56 2ds4 s SER 2 Cb 0.00 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2ds4 s SER 2 CO 0.00 -2.54 -0.12 -0.44 0.41 0.00 0.00 173.24 170.55 2ds4 s SER 3 N 6.09 4.19 0.00 2.44 0.01 -1.26 -5.09 113.70 120.09 2ds4 s SER 3 Ca 0.64 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2ds4 s SER 3 Cb -0.00 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.15 2ds4 s SER 3 CO 0.09 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2ds4 n GLY 4 N 2.52 3.24 3.67 3.44 0.00 -1.26 -5.16 105.19 111.64 2ds4 n GLY 4 Ca -0.17 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2ds4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ds4 s SER 5 N 0.00 5.01 0.26 1.61 1.04 -1.26 -5.00 113.70 115.36 2ds4 s SER 5 Ca 0.00 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.36 2ds4 s SER 5 Cb 0.00 -1.24 0.69 0.00 0.10 0.00 0.00 66.02 65.58 2ds4 s SER 5 CO 0.00 0.23 1.26 -1.54 0.98 0.00 0.00 173.24 174.17 2ds4 n SER 6 N 1.01 -0.03 0.05 7.02 3.41 -1.26 -4.64 113.62 119.16 2ds4 n SER 6 Ca -0.13 1.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 2ds4 n SER 6 Cb 0.52 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ds4 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ds4 n GLY 7 N -1.37 -1.87 3.45 5.00 0.00 -1.26 -5.12 105.19 104.03 2ds4 n GLY 7 Ca 0.21 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 8 N -1.24 1.83 0.23 1.61 -1.05 -1.26 -5.11 118.70 113.71 2ds4 s GLU 8 Ca 0.00 -1.75 -0.28 0.00 -0.15 0.00 0.00 54.97 52.78 2ds4 s GLU 8 Cb 0.00 0.42 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 2ds4 s GLU 8 CO 0.00 -0.74 0.89 0.54 0.95 0.00 0.00 175.26 176.90 2ds4 s VAL 9 N -3.23 4.17 -0.04 1.83 0.11 -1.26 -3.24 120.40 118.73 2ds4 s VAL 9 Ca 0.32 1.96 0.06 0.00 -2.93 0.00 0.00 61.98 61.39 2ds4 s VAL 9 Cb 0.00 -4.25 -0.01 0.00 -1.53 0.00 0.00 36.38 30.60 2ds4 s VAL 9 CO 0.20 0.47 -0.23 -0.62 -3.33 0.00 0.00 175.10 171.59 2ds4 s ASP 10 N -1.22 2.83 0.02 3.54 2.15 -0.18 -4.83 116.67 118.98 2ds4 s ASP 10 Ca 0.40 -0.46 -0.22 0.00 0.43 0.00 0.00 52.55 52.70 2ds4 s ASP 10 Cb -0.24 -0.65 -0.16 0.00 -0.30 0.00 0.00 42.92 41.56 2ds4 s ASP 10 CO 0.30 0.24 1.32 1.55 -0.17 0.00 0.00 175.17 178.41 2ds4 h PRO 11 N 5.95 0.24 -0.31 4.34 0.13 -1.88 -2.34 132.00 138.13 2ds4 h PRO 11 Ca -0.35 -0.13 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 2ds4 h PRO 11 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2ds4 h PRO 11 CO 0.47 0.66 0.46 0.00 -0.23 0.00 0.00 178.00 179.36 2ds4 h ALA 12 N 0.58 1.93 0.00 -0.56 0.00 -1.89 0.52 119.26 119.84 2ds4 h ALA 12 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ds4 h ALA 12 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ds4 h ALA 12 CO 0.02 -0.62 -1.63 1.63 0.00 0.00 0.00 179.25 178.65 2ds4 n LYS 13 N -3.42 0.64 -2.02 0.00 4.76 -1.15 -4.46 118.16 112.51 2ds4 n LYS 13 Ca 0.05 -0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.12 2ds4 n LYS 13 Cb 0.60 -1.67 0.02 0.00 -1.84 0.00 0.00 35.03 32.15 2ds4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ds4 s VAL 15 N -1.50 0.09 0.15 0.00 -7.23 -1.22 -3.58 120.40 107.10 2ds4 s VAL 15 Ca 0.72 -1.89 0.11 0.00 -1.81 0.00 0.00 61.98 59.11 2ds4 s VAL 15 Cb -0.33 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2ds4 s VAL 15 CO 0.37 -0.39 -0.26 -0.76 -0.31 0.00 0.00 175.10 173.75 2ds4 s LEU 16 N -3.06 2.35 0.01 1.32 1.43 -1.26 -0.57 118.68 118.90 2ds4 s LEU 16 Ca 0.26 -0.78 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2ds4 s LEU 16 Cb 0.07 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2ds4 s LEU 16 CO 0.03 0.16 -0.26 -1.10 0.23 0.00 0.00 176.35 175.42 2ds4 s GLN 17 N -2.23 1.98 0.00 1.70 1.11 -0.37 -4.98 119.66 116.87 2ds4 s GLN 17 Ca 0.16 -1.01 0.00 0.00 0.01 0.00 0.00 55.36 54.52 2ds4 s GLN 17 Cb -0.09 -2.03 0.00 0.00 -1.01 0.00 0.00 33.01 29.88 2ds4 s GLN 17 CO 0.07 0.54 0.00 0.41 0.01 0.00 0.00 175.29 176.32 2ds4 n GLY 18 N 2.11 0.71 0.37 3.09 0.00 -1.26 -2.80 105.19 107.41 2ds4 n GLY 18 Ca -0.16 0.39 0.33 0.00 0.00 0.00 0.00 46.02 46.57 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 0.07 -2.48 1.61 5.08 -1.97 -0.96 114.58 115.93 2ds4 h GLU 19 Ca 0.00 -0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 2ds4 h GLU 19 Cb 0.00 -0.02 -0.35 0.00 0.50 0.00 0.00 28.75 28.88 2ds4 h GLU 19 CO 0.00 0.05 0.09 -0.40 -1.00 0.00 0.00 179.01 177.75 2ds4 n ASP 20 N -5.04 5.22 -0.06 1.42 5.68 -1.26 -4.74 116.55 117.76 2ds4 n ASP 20 Ca 0.37 -3.49 -0.17 0.00 -0.50 0.00 0.00 54.79 51.01 2ds4 n ASP 20 Cb 1.30 -0.94 -0.14 0.00 -1.14 0.00 0.00 41.12 40.21 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 0.82 2.13 -1.69 -2.12 4.77 -0.37 -4.21 117.00 116.33 2ds4 n LEU 21 Ca 0.30 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.31 2ds4 n LEU 21 Cb 0.36 -0.62 0.22 0.00 -2.33 0.00 0.00 43.42 41.05 2ds4 n LEU 21 CO 0.54 0.77 0.87 1.41 -1.33 0.00 0.00 177.39 179.64 2ds4 n HIS 22 N -3.23 1.84 -3.58 -1.77 8.25 -1.26 -4.82 115.22 110.65 2ds4 n HIS 22 Ca -0.35 -0.95 -0.15 0.00 -0.26 0.00 0.00 57.72 56.01 2ds4 n HIS 22 Cb 1.04 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 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 -2.33 0.86 0.17 -0.41 3.52 -1.26 -2.82 118.95 116.68 2ds4 s ARG 23 Ca 0.40 0.52 -0.12 0.00 -0.13 0.00 0.00 55.73 56.40 2ds4 s ARG 23 Cb 0.32 0.41 0.01 0.00 -1.56 0.00 0.00 34.95 34.13 2ds4 s ARG 23 CO 0.10 -0.20 0.37 0.00 -0.81 0.00 0.00 175.30 174.75 2ds4 s ALA 24 N -0.51 -0.36 -0.14 6.12 0.00 -0.50 -4.81 121.76 121.55 2ds4 s ALA 24 Ca -0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2ds4 s ALA 24 Cb -0.02 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2ds4 s ALA 24 CO 0.04 -0.70 -0.00 0.50 0.00 0.00 0.00 175.76 175.60 2ds4 s ARG 25 N -3.93 3.58 0.16 0.00 3.52 -1.26 -0.29 118.95 120.73 2ds4 s ARG 25 Ca 0.13 -0.45 -0.32 0.00 -0.13 0.00 0.00 55.73 54.97 2ds4 s ARG 25 Cb 0.02 -2.96 -0.17 0.00 -1.56 0.00 0.00 34.95 30.28 2ds4 s ARG 25 CO -0.02 0.36 0.88 -1.91 -0.81 0.00 0.00 175.30 173.81 2ds4 n GLU 26 N 3.19 0.50 -3.89 5.12 0.00 -0.72 -0.86 120.64 123.98 2ds4 n GLU 26 Ca -0.17 0.18 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 2ds4 n GLU 26 Cb 0.53 -1.47 0.01 0.00 0.00 0.00 0.00 31.44 30.51 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ds4 n LYS 27 N 1.29 -4.60 -4.32 5.31 5.02 -0.83 -4.70 118.16 115.32 2ds4 n LYS 27 Ca 0.17 0.54 -0.24 0.00 -2.02 0.00 0.00 58.31 56.75 2ds4 n LYS 27 Cb 0.22 -5.14 -0.12 0.00 -0.02 0.00 0.00 35.03 29.97 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 -6.43 1.22 -0.54 1.97 2.00 -0.04 -4.98 119.66 112.85 2ds4 s GLN 28 Ca 0.32 -1.27 -0.18 0.00 -2.00 0.00 0.00 55.36 52.23 2ds4 s GLN 28 Cb -0.16 -1.47 0.09 0.00 0.80 0.00 0.00 33.01 32.27 2ds4 s GLN 28 CO 0.85 0.33 0.60 0.99 -0.50 0.00 0.00 175.29 177.56 2ds4 s THR 29 N -1.38 4.96 -0.24 -0.34 2.01 -1.26 -3.90 115.64 115.49 2ds4 s THR 29 Ca 0.10 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 2ds4 s THR 29 Cb -0.09 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 2ds4 s THR 29 CO 0.05 -0.93 0.21 0.00 -0.69 0.00 0.00 174.62 173.27 2ds4 s ALA 30 N 2.33 3.59 -0.06 7.40 0.00 -0.26 -4.94 121.76 129.82 2ds4 s ALA 30 Ca 0.10 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2ds4 s ALA 30 Cb -0.24 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2ds4 s ALA 30 CO 0.07 -0.27 -0.13 -1.54 0.00 0.00 0.00 175.76 173.89 2ds4 s SER 31 N 1.15 1.84 0.35 0.00 1.04 -1.26 -1.47 113.70 115.35 2ds4 s SER 31 Ca 0.10 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.26 2ds4 s SER 31 Cb -0.14 -0.78 -0.06 0.00 0.10 0.00 0.00 66.02 65.13 2ds4 s SER 31 CO 0.06 0.06 0.05 0.72 0.98 0.00 0.00 173.24 175.11 2ds4 s PHE 32 N 0.53 2.04 -0.14 5.02 -0.71 -1.13 -4.98 117.98 118.62 2ds4 s PHE 32 Ca -0.12 -0.93 -0.01 0.00 -1.04 0.00 0.00 56.93 54.82 2ds4 s PHE 32 Cb -0.15 -1.36 -0.02 0.00 -1.21 0.00 0.00 43.02 40.28 2ds4 s PHE 32 CO 0.04 0.07 -0.10 0.99 -1.34 0.00 0.00 175.22 174.88 2ds4 s THR 33 N -3.19 3.35 -0.41 -4.49 2.01 -1.12 -2.99 115.64 108.80 2ds4 s THR 33 Ca 0.35 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 2ds4 s THR 33 Cb 0.09 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.18 2ds4 s THR 33 CO 0.16 0.51 0.29 -0.22 -0.69 0.00 0.00 174.62 174.67 2ds4 s LEU 34 N 0.39 5.08 0.35 4.42 2.96 -1.18 -1.24 118.68 129.47 2ds4 s LEU 34 Ca -0.08 -0.90 -0.25 0.00 -0.22 0.00 0.00 54.13 52.68 2ds4 s LEU 34 Cb -0.15 -2.15 -0.10 0.00 0.50 0.00 0.00 46.19 44.29 2ds4 s LEU 34 CO 0.04 -0.44 0.97 -0.76 -1.32 0.00 0.00 176.35 174.84 2ds4 s LEU 35 N 1.67 4.26 -0.27 -0.68 1.43 0.27 -2.53 118.68 122.82 2ds4 s LEU 35 Ca 0.05 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2ds4 s LEU 35 Cb -0.19 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 41.99 2ds4 s LEU 35 CO 0.10 -0.19 -0.07 0.00 0.23 0.00 0.00 176.35 176.42 2ds4 s LYS 37 N 1.10 2.08 0.86 0.00 3.01 -1.26 -3.83 119.74 121.70 2ds4 s LYS 37 Ca -0.05 -1.47 -0.09 0.00 -1.01 0.00 0.00 55.97 53.36 2ds4 s LYS 37 Cb -0.20 -2.06 0.19 0.00 -1.01 0.00 0.00 37.83 34.75 2ds4 s LYS 37 CO -0.06 0.37 1.17 -0.40 0.51 0.00 0.00 175.35 176.94 2ds4 n ASP 38 N -0.59 0.72 0.34 2.83 5.68 -1.02 -1.01 116.55 123.49 2ds4 n ASP 38 Ca -0.07 -1.81 0.18 0.00 -0.50 0.00 0.00 54.79 52.60 2ds4 n ASP 38 Cb 0.58 -0.84 0.99 0.00 -1.14 0.00 0.00 41.12 40.71 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ds4 h ALA 39 N -1.21 1.20 0.00 2.12 0.00 -1.87 0.41 119.26 119.91 2ds4 h ALA 39 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ds4 h ALA 39 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ds4 h ALA 39 CO 0.33 -0.20 -0.12 0.00 0.00 0.00 0.00 179.25 179.26 2ds4 h ALA 40 N 1.61 0.94 0.00 0.00 0.00 -1.91 -3.48 119.26 116.42 2ds4 h ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ds4 h ALA 40 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ds4 h ALA 40 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2ds4 n GLY 41 N 1.13 0.61 3.56 0.00 0.00 0.14 -5.07 105.19 105.56 2ds4 n GLY 41 Ca 0.04 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.23 2.02 0.21 1.61 -1.05 -1.26 -4.86 118.70 114.14 2ds4 s GLU 42 Ca 0.00 -1.46 -0.31 0.00 -0.15 0.00 0.00 54.97 53.04 2ds4 s GLU 42 Cb 0.00 -2.04 -0.11 0.00 -0.44 0.00 0.00 34.13 31.53 2ds4 s GLU 42 CO 0.00 0.38 1.64 0.42 0.95 0.00 0.00 175.26 178.65 2ds4 s ILE 43 N -2.12 2.26 -0.15 1.83 -1.09 -1.26 -2.42 121.20 118.25 2ds4 s ILE 43 Ca 0.28 0.20 0.13 0.00 -2.23 0.00 0.00 60.65 59.03 2ds4 s ILE 43 Cb -0.07 -3.12 -0.24 0.00 -1.58 0.00 0.00 42.46 37.45 2ds4 s ILE 43 CO 0.16 0.02 0.26 1.15 -1.23 0.00 0.00 174.94 175.30 2ds4 n MET 44 N 3.62 0.67 -1.54 2.79 0.00 -1.25 -4.93 117.12 116.49 2ds4 n MET 44 Ca 0.14 0.13 -0.11 0.00 0.00 0.00 0.00 57.70 57.86 2ds4 n MET 44 Cb 0.37 -1.63 -0.04 0.00 0.00 0.00 0.00 33.22 31.93 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 1.75 0.89 3.16 3.17 0.00 -1.26 -4.72 105.19 108.17 2ds4 n GLY 45 Ca -0.29 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 2ds4 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ds4 s ARG 46 N -3.33 2.05 0.37 1.61 0.52 -1.26 -4.65 118.95 114.26 2ds4 s ARG 46 Ca 0.00 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.61 2ds4 s ARG 46 Cb 0.00 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.74 2ds4 s ARG 46 CO 0.00 0.24 0.48 0.20 0.02 0.00 0.00 175.30 176.23 2ds4 s GLY 47 N 0.10 1.77 0.00 -3.53 0.00 -1.24 -3.94 107.32 100.48 2ds4 s GLY 47 Ca -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.08 2ds4 s GLY 47 CO 0.03 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.29 2ds4 n GLY 48 N -1.67 0.56 3.18 0.20 0.00 -1.26 -4.94 105.19 101.26 2ds4 n GLY 48 Ca 0.03 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 2ds4 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ds4 s ASP 49 N -0.53 1.90 -0.78 1.61 -1.08 -1.26 -5.09 116.67 111.44 2ds4 s ASP 49 Ca 0.00 -0.53 -0.26 0.00 -0.52 0.00 0.00 52.55 51.24 2ds4 s ASP 49 Cb 0.00 -0.11 0.04 0.00 -1.46 0.00 0.00 42.92 41.38 2ds4 s ASP 49 CO 0.00 0.04 1.28 0.20 0.52 0.00 0.00 175.17 177.21 2ds4 s ASN 50 N -1.35 6.21 -0.10 -0.34 0.01 -1.26 -5.00 114.94 113.11 2ds4 s ASN 50 Ca 0.02 -0.63 -0.12 0.00 -0.71 0.00 0.00 52.86 51.42 2ds4 s ASN 50 Cb -0.09 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 2ds4 s ASN 50 CO 0.02 -1.77 0.29 -0.69 -1.51 0.00 0.00 177.10 173.44 2ds4 s VAL 51 N 5.52 5.27 -0.10 1.60 1.01 -1.26 -1.74 120.40 130.70 2ds4 s VAL 51 Ca 0.36 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.92 2ds4 s VAL 51 Cb -0.07 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2ds4 s VAL 51 CO 0.11 0.50 -0.20 -1.58 0.00 0.00 0.00 175.10 173.93 2ds4 s GLN 52 N -0.35 2.61 0.00 2.72 0.74 -0.12 -5.01 119.66 120.25 2ds4 s GLN 52 Ca 0.18 -0.72 0.04 0.00 0.05 0.00 0.00 55.36 54.92 2ds4 s GLN 52 Cb -0.14 -2.05 -0.01 0.00 1.10 0.00 0.00 33.01 31.91 2ds4 s GLN 52 CO 0.07 0.08 -0.14 0.08 -0.55 0.00 0.00 175.29 174.83 2ds4 s VAL 53 N 0.58 1.08 -0.30 1.34 1.01 -1.26 -2.19 120.40 120.67 2ds4 s VAL 53 Ca -0.14 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2ds4 s VAL 53 Cb -0.17 -0.92 0.13 0.00 0.00 0.00 0.00 36.38 35.43 2ds4 s VAL 53 CO 0.05 0.23 0.71 0.00 0.00 0.00 0.00 175.10 176.09 2ds4 s ALA 54 N -0.44 -2.14 -0.12 5.51 0.00 -0.67 -4.99 121.76 118.92 2ds4 s ALA 54 Ca 0.04 2.31 -0.01 0.00 0.00 0.00 0.00 51.96 54.30 2ds4 s ALA 54 Cb -0.06 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2ds4 s ALA 54 CO -0.00 -0.86 -0.08 0.08 0.00 0.00 0.00 175.76 174.90 2ds4 s VAL 55 N 2.66 3.58 -0.07 0.00 1.01 -1.26 -0.52 120.40 125.80 2ds4 s VAL 55 Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2ds4 s VAL 55 Cb -0.10 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2ds4 s VAL 55 CO -0.19 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 174.90 2ds4 s VAL 56 N -0.02 -0.16 0.15 2.92 1.01 -0.97 -3.72 120.40 119.62 2ds4 s VAL 56 Ca -0.01 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 2ds4 s VAL 56 Cb -0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.92 2ds4 s VAL 56 CO 0.03 0.12 1.33 -2.16 0.00 0.00 0.00 175.10 174.42 2ds4 s PRO 57 N 1.78 4.36 0.54 2.72 0.04 -1.26 -1.58 135.00 141.61 2ds4 s PRO 57 Ca -0.02 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.29 2ds4 s PRO 57 Cb -0.12 -3.23 1.50 0.00 0.04 0.00 0.00 34.50 32.69 2ds4 s PRO 57 CO -0.05 -0.33 2.16 -0.22 0.04 0.00 0.00 177.00 178.60 2ds4 h LYS 58 N 6.07 0.00 0.41 4.56 3.64 -1.62 -2.90 116.57 126.73 2ds4 h LYS 58 Ca -0.43 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 2ds4 h LYS 58 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ds4 h LYS 58 CO 0.81 0.05 -0.20 0.22 -2.27 0.00 0.00 179.45 178.06 2ds4 h ASP 59 N 0.00 -0.46 -2.78 4.20 3.58 -1.91 -3.45 116.42 115.59 2ds4 h ASP 59 Ca -0.00 -0.12 -0.46 0.00 0.42 0.00 0.00 57.03 56.87 2ds4 h ASP 59 Cb 0.10 0.12 0.03 0.00 1.72 0.00 0.00 39.33 41.30 2ds4 h ASP 59 CO 0.01 -0.07 -0.09 -0.54 -2.88 0.00 0.00 179.24 175.67 2ds4 s LYS 60 N -4.41 3.08 -0.00 0.28 -0.14 -1.09 -5.02 119.74 112.43 2ds4 s LYS 60 Ca -0.13 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 2ds4 s LYS 60 Cb 0.02 -2.55 -0.00 0.00 -1.68 0.00 0.00 37.83 33.61 2ds4 s LYS 60 CO 0.47 -0.27 0.01 1.63 -0.76 0.00 0.00 175.35 176.43 2ds4 n LYS 61 N -2.09 2.89 0.00 1.68 4.76 -1.26 -4.50 118.16 119.65 2ds4 n LYS 61 Ca 0.01 -0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.43 2ds4 n LYS 61 Cb 0.58 -0.80 -0.01 0.00 -1.84 0.00 0.00 35.03 32.96 2ds4 n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ds4 n ASP 62 N -1.30 1.01 -3.44 4.39 2.03 -1.26 -4.96 116.55 113.02 2ds4 n ASP 62 Ca -0.00 0.15 -0.28 0.00 0.52 0.00 0.00 54.79 55.18 2ds4 n ASP 62 Cb 0.01 -0.40 -0.13 0.00 -0.72 0.00 0.00 41.12 39.88 2ds4 n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ds4 n SER 63 N -3.46 -0.06 -3.59 1.67 7.64 -1.26 -4.85 113.62 109.70 2ds4 n SER 63 Ca -0.04 0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.56 2ds4 n SER 63 Cb 0.13 -0.64 0.25 0.00 -1.01 0.00 0.00 64.21 62.95 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 6.57 -1.62 -0.10 1.43 0.04 -1.26 -4.62 135.00 135.44 2ds4 s PRO 64 Ca 1.03 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2ds4 s PRO 64 Cb -0.90 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 32.10 2ds4 s PRO 64 CO 0.39 -3.94 -0.09 0.08 0.04 0.00 0.00 177.00 173.47 2ds4 s VAL 65 N -3.02 1.08 -0.08 -0.36 1.01 -1.24 -4.99 120.40 112.80 2ds4 s VAL 65 Ca 0.72 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 2ds4 s VAL 65 Cb -0.07 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 2ds4 s VAL 65 CO 0.56 0.37 2.03 -0.13 0.00 0.00 0.00 175.10 177.92 2ds4 s ARG 66 N 1.47 3.73 0.30 2.72 0.52 -1.26 -4.71 118.95 121.72 2ds4 s ARG 66 Ca 0.01 2.30 0.09 0.00 -0.52 0.00 0.00 55.73 57.61 2ds4 s ARG 66 Cb -0.13 -4.23 -0.06 0.00 0.52 0.00 0.00 34.95 31.05 2ds4 s ARG 66 CO -0.06 -1.42 -0.11 0.95 0.02 0.00 0.00 175.30 174.68 2ds4 s THR 67 N 5.97 2.09 0.02 0.02 -4.23 -1.26 -3.11 115.64 115.14 2ds4 s THR 67 Ca 0.91 -2.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 2ds4 s THR 67 Cb -0.37 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 2ds4 s THR 67 CO 0.38 -0.29 -0.05 -0.32 -0.54 0.00 0.00 174.62 173.79 2ds4 s MET 68 N -3.63 0.39 -0.20 3.99 1.75 0.37 -4.97 119.30 117.01 2ds4 s MET 68 Ca 0.30 -0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 54.20 2ds4 s MET 68 Cb 0.01 -0.20 0.07 0.00 2.84 0.00 0.00 34.83 37.55 2ds4 s MET 68 CO 0.14 0.04 0.09 0.54 -0.65 0.00 0.00 175.02 175.18 2ds4 s VAL 69 N -0.93 0.02 -0.38 10.11 0.11 -1.26 -1.30 120.40 126.78 2ds4 s VAL 69 Ca -0.07 -0.36 -0.15 0.00 -2.93 0.00 0.00 61.98 58.46 2ds4 s VAL 69 Cb -0.07 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 2ds4 s VAL 69 CO -0.00 -0.36 0.36 -1.58 -3.33 0.00 0.00 175.10 170.18 2ds4 s GLN 70 N 2.08 3.33 -0.18 1.54 0.74 -0.60 -5.02 119.66 121.54 2ds4 s GLN 70 Ca 0.03 -0.64 -0.29 0.00 0.05 0.00 0.00 55.36 54.51 2ds4 s GLN 70 Cb -0.16 -3.88 -0.01 0.00 1.10 0.00 0.00 33.01 30.06 2ds4 s GLN 70 CO -0.14 -0.64 1.14 0.16 -0.55 0.00 0.00 175.29 175.26 2ds4 s ASP 71 N 1.74 7.04 -0.19 6.67 -4.77 -1.26 -2.87 116.67 123.04 2ds4 s ASP 71 Ca 0.10 1.56 0.05 0.00 -3.30 0.00 0.00 52.55 50.96 2ds4 s ASP 71 Cb -0.17 -2.54 -0.14 0.00 -1.09 0.00 0.00 42.92 38.97 2ds4 s ASP 71 CO 0.12 -0.68 -0.12 0.59 0.70 0.00 0.00 175.17 175.78 2ds4 n ASN 72 N 6.22 2.14 -2.64 2.11 3.02 -1.26 -5.02 115.26 119.83 2ds4 n ASN 72 Ca 0.12 -0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.40 2ds4 n ASN 72 Cb 0.46 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.95 -4.49 -0.39 3.52 4.76 -1.26 -4.90 118.16 112.46 2ds4 n LYS 73 Ca -0.33 0.76 0.07 0.00 -2.87 0.00 0.00 58.31 55.95 2ds4 n LYS 73 Cb 0.91 -5.34 0.13 0.00 -1.84 0.00 0.00 35.03 28.88 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ds4 n ASP 74 N -1.90 1.71 0.00 4.39 8.00 -1.26 -3.61 116.55 123.88 2ds4 n ASP 74 Ca -0.08 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.37 2ds4 n ASP 74 Cb 0.60 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.98 3.45 3.17 0.44 0.00 -1.25 -4.69 105.19 105.33 2ds4 n GLY 75 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.00 0.62 0.39 2.61 -4.23 -1.26 -2.41 115.64 108.37 2ds4 s THR 76 Ca 0.00 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 2ds4 s THR 76 Cb 0.00 -1.76 -0.08 0.00 1.34 0.00 0.00 72.50 72.00 2ds4 s THR 76 CO 0.00 -0.80 -0.00 -0.31 -0.54 0.00 0.00 174.62 172.97 2ds4 s TYR 77 N -3.67 2.46 -0.36 3.99 1.51 -1.05 -4.19 117.35 116.03 2ds4 s TYR 77 Ca 0.14 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2ds4 s TYR 77 Cb 0.06 -1.68 0.11 0.00 -0.11 0.00 0.00 41.96 40.34 2ds4 s TYR 77 CO -0.03 0.44 0.15 -0.47 -1.11 0.00 0.00 175.55 174.52 2ds4 s TYR 78 N -2.74 1.98 0.22 2.71 5.04 -1.14 -3.08 117.35 120.34 2ds4 s TYR 78 Ca 0.35 -2.11 -0.06 0.00 -2.44 0.00 0.00 57.07 52.81 2ds4 s TYR 78 Cb 0.09 -1.88 -0.06 0.00 0.35 0.00 0.00 41.96 40.46 2ds4 s TYR 78 CO 0.18 -0.85 0.48 0.42 -1.34 0.00 0.00 175.55 174.44 2ds4 s ILE 79 N 1.06 5.07 -0.12 3.14 1.01 -1.16 -1.56 121.20 128.63 2ds4 s ILE 79 Ca 0.13 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.82 2ds4 s ILE 79 Cb -0.20 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.65 2ds4 s ILE 79 CO -0.13 -0.13 0.28 -0.44 0.00 0.00 0.00 174.94 174.51 2ds4 s SER 80 N -2.74 -0.30 -0.00 3.58 0.01 -0.42 -2.82 113.70 111.02 2ds4 s SER 80 Ca 0.43 0.60 -0.03 0.00 1.31 0.00 0.00 55.95 58.26 2ds4 s SER 80 Cb -0.11 0.49 -0.00 0.00 0.21 0.00 0.00 66.02 66.60 2ds4 s SER 80 CO 0.26 -0.17 0.05 -0.72 0.41 0.00 0.00 173.24 173.07 2ds4 s TYR 81 N 1.32 0.07 -0.14 2.43 -0.85 -0.54 0.14 117.35 119.78 2ds4 s TYR 81 Ca -0.09 -0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.28 2ds4 s TYR 81 Cb -0.10 -0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.22 2ds4 s TYR 81 CO -0.09 -0.15 0.05 0.99 -1.52 0.00 0.00 175.55 174.82 2ds4 s THR 82 N -0.84 0.25 0.59 -3.49 2.01 -1.18 -1.10 115.64 111.88 2ds4 s THR 82 Ca -0.09 -0.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 2ds4 s THR 82 Cb -0.06 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2ds4 s THR 82 CO 0.00 -0.08 1.12 -2.16 -0.69 0.00 0.00 174.62 172.81 2ds4 s PRO 83 N 2.00 3.15 -0.21 4.92 0.04 -1.25 -4.48 135.00 139.16 2ds4 s PRO 83 Ca 0.02 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 2ds4 s PRO 83 Cb -0.15 -1.99 -0.20 0.00 0.04 0.00 0.00 34.50 32.21 2ds4 s PRO 83 CO -0.07 -1.00 -0.00 1.63 0.04 0.00 0.00 177.00 177.60 2ds4 n LYS 84 N -1.74 0.67 -4.32 4.56 4.76 -1.26 -1.97 118.16 118.86 2ds4 n LYS 84 Ca 0.11 0.24 -0.21 0.00 -2.87 0.00 0.00 58.31 55.58 2ds4 n LYS 84 Cb 0.51 -1.60 -0.11 0.00 -1.84 0.00 0.00 35.03 31.99 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2ds4 s GLU 85 N -2.52 1.25 0.86 1.97 2.02 -1.26 -4.46 118.70 116.56 2ds4 s GLU 85 Ca -0.31 -1.42 -0.11 0.00 0.02 0.00 0.00 54.97 53.15 2ds4 s GLU 85 Cb 0.09 -1.24 0.11 0.00 0.10 0.00 0.00 34.13 33.18 2ds4 s GLU 85 CO 0.64 0.24 1.09 -1.25 0.02 0.00 0.00 175.26 176.01 2ds4 s PRO 86 N -2.93 1.58 0.00 0.39 0.04 -1.26 -4.91 135.00 127.91 2ds4 s PRO 86 Ca 0.16 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2ds4 s PRO 86 Cb -0.05 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2ds4 s PRO 86 CO 0.06 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.46 2ds4 n GLY 87 N -1.15 0.82 3.79 0.56 0.00 -0.50 -4.96 105.19 103.75 2ds4 n GLY 87 Ca 0.08 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.97 4.60 0.34 1.61 0.11 -1.26 -0.03 120.40 124.80 2ds4 s VAL 88 Ca 0.00 1.44 0.04 0.00 -2.93 0.00 0.00 61.98 60.53 2ds4 s VAL 88 Cb 0.00 -4.01 -0.06 0.00 -1.53 0.00 0.00 36.38 30.78 2ds4 s VAL 88 CO 0.00 0.52 0.07 -0.31 -3.33 0.00 0.00 175.10 172.05 2ds4 s TYR 89 N -1.00 1.92 -0.17 1.54 1.51 0.84 -1.58 117.35 120.41 2ds4 s TYR 89 Ca 0.32 -1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 2ds4 s TYR 89 Cb -0.21 -1.26 0.05 0.00 -0.11 0.00 0.00 41.96 40.43 2ds4 s TYR 89 CO 0.22 -0.05 -0.02 0.99 -1.11 0.00 0.00 175.55 175.58 2ds4 s THR 90 N -3.29 0.89 -0.37 -0.71 2.01 -0.61 -0.74 115.64 112.82 2ds4 s THR 90 Ca 0.34 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 2ds4 s THR 90 Cb 0.08 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.42 2ds4 s THR 90 CO 0.15 0.02 0.57 -0.69 -0.69 0.00 0.00 174.62 173.98 2ds4 s VAL 91 N 1.72 4.95 -0.30 3.82 1.01 -0.68 -2.28 120.40 128.64 2ds4 s VAL 91 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2ds4 s VAL 91 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2ds4 s VAL 91 CO -0.07 -0.33 0.29 0.26 0.00 0.00 0.00 175.10 175.25 2ds4 s TRP 92 N 2.54 3.23 -0.13 5.22 0.52 0.32 -2.36 118.94 128.28 2ds4 s TRP 92 Ca 0.21 0.15 -0.01 0.00 0.02 0.00 0.00 56.10 56.47 2ds4 s TRP 92 Cb -0.15 -2.52 0.04 0.00 -1.15 0.00 0.00 33.47 29.69 2ds4 s TRP 92 CO 0.15 -0.26 -0.02 0.08 0.02 0.00 0.00 176.95 176.92 2ds4 s VAL 93 N 1.92 0.71 0.04 4.03 1.01 -1.26 -1.66 120.40 125.19 2ds4 s VAL 93 Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2ds4 s VAL 93 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2ds4 s VAL 93 CO 0.11 0.16 -0.05 0.00 0.00 0.00 0.00 175.10 175.31 2ds4 s ILE 95 N -1.87 1.75 -1.39 0.00 1.01 0.13 -0.94 121.20 119.89 2ds4 s ILE 95 Ca -0.09 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2ds4 s ILE 95 Cb -0.07 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.87 2ds4 s ILE 95 CO -0.02 0.49 0.83 0.29 0.00 0.00 0.00 174.94 176.54 2ds4 n LYS 96 N 4.02 -5.31 -3.45 2.79 5.02 -0.71 -1.49 118.16 119.03 2ds4 n LYS 96 Ca -0.20 0.62 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 2ds4 n LYS 96 Cb 0.52 -5.34 0.07 0.00 -0.02 0.00 0.00 35.03 30.26 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 -4.46 -6.95 -3.73 1.97 -0.58 -1.26 -5.01 120.64 100.62 2ds4 n GLU 97 Ca -0.16 0.74 -0.14 0.00 -0.42 0.00 0.00 57.16 57.18 2ds4 n GLU 97 Cb 0.62 -5.49 -0.14 0.00 -0.57 0.00 0.00 31.44 25.85 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2ds4 s GLN 98 N -6.07 0.11 -0.24 3.49 -0.21 -0.56 -5.12 119.66 111.07 2ds4 s GLN 98 Ca 0.47 0.45 -0.29 0.00 0.02 0.00 0.00 55.36 56.01 2ds4 s GLN 98 Cb -0.21 -0.17 -0.02 0.00 1.00 0.00 0.00 33.01 33.61 2ds4 s GLN 98 CO 0.64 -0.19 1.54 -3.38 -2.12 0.00 0.00 175.29 171.79 2ds4 s HIS 99 N 1.40 2.24 1.30 0.91 -3.43 -1.26 0.22 115.29 116.67 2ds4 s HIS 99 Ca -0.07 0.62 -0.21 0.00 -0.80 0.00 0.00 55.06 54.60 2ds4 s HIS 99 Cb -0.11 -3.96 0.32 0.00 -1.43 0.00 0.00 32.58 27.40 2ds4 s HIS 99 CO -0.07 -2.64 1.04 0.14 -2.00 0.00 0.00 174.74 171.21 2ds4 s VAL 100 N 5.00 1.42 0.25 -5.38 -7.23 -1.19 -4.53 120.40 108.74 2ds4 s VAL 100 Ca 0.68 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.55 2ds4 s VAL 100 Cb -0.23 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 2ds4 s VAL 100 CO 0.28 0.00 1.07 -1.58 -0.31 0.00 0.00 175.10 174.56 2ds4 s GLN 101 N -5.29 4.67 -1.10 4.82 0.74 -1.17 -3.34 119.66 118.99 2ds4 s GLN 101 Ca 0.70 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.84 2ds4 s GLN 101 Cb -0.11 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2ds4 s GLN 101 CO 0.57 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.96 2ds4 n GLY 102 N 1.43 -0.04 3.30 2.59 0.00 -1.26 -4.73 105.19 106.48 2ds4 n GLY 102 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.46 -0.39 1.04 1.61 0.15 -1.21 -4.25 113.70 108.19 2ds4 s SER 103 Ca 0.00 0.65 -0.13 0.00 0.70 0.00 0.00 55.95 57.17 2ds4 s SER 103 Cb 0.00 0.70 0.21 0.00 -1.71 0.00 0.00 66.02 65.22 2ds4 s SER 103 CO 0.00 -0.24 1.10 -2.16 1.20 0.00 0.00 173.24 173.13 2ds4 s PRO 104 N -0.22 0.10 0.02 5.44 0.04 -1.26 -4.48 135.00 134.63 2ds4 s PRO 104 Ca -0.04 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2ds4 s PRO 104 Cb -0.03 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 2ds4 s PRO 104 CO 0.02 -2.93 -0.03 -0.59 0.04 0.00 0.00 177.00 173.51 2ds4 s PHE 105 N -2.97 0.26 0.15 0.56 -0.71 -1.00 -4.99 117.98 109.28 2ds4 s PHE 105 Ca 0.66 -0.51 -0.24 0.00 -1.04 0.00 0.00 56.93 55.80 2ds4 s PHE 105 Cb -0.17 -0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 41.37 2ds4 s PHE 105 CO 0.57 -0.18 0.75 0.99 -1.34 0.00 0.00 175.22 176.01 2ds4 s THR 106 N -1.40 4.42 0.05 -4.49 2.01 -1.26 -1.69 115.64 113.27 2ds4 s THR 106 Ca -0.15 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.56 2ds4 s THR 106 Cb -0.10 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2ds4 s THR 106 CO -0.01 0.53 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.54 2ds4 s VAL 107 N -1.14 1.79 -0.34 3.82 1.01 0.08 -4.61 120.40 121.00 2ds4 s VAL 107 Ca 0.35 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2ds4 s VAL 107 Cb -0.23 -1.56 0.06 0.00 0.00 0.00 0.00 36.38 34.66 2ds4 s VAL 107 CO 0.25 0.20 0.09 -0.89 0.00 0.00 0.00 175.10 174.75 2ds4 s THR 108 N -0.85 3.31 -0.40 3.92 2.01 -1.13 -0.11 115.64 122.39 2ds4 s THR 108 Ca 0.08 -1.49 -0.24 0.00 0.31 0.00 0.00 61.69 60.35 2ds4 s THR 108 Cb -0.09 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2ds4 s THR 108 CO 0.02 -0.29 0.83 -0.69 -0.69 0.00 0.00 174.62 173.81 2ds4 s VAL 109 N 1.27 4.65 1.12 3.82 1.01 0.96 -1.41 120.40 131.82 2ds4 s VAL 109 Ca -0.01 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 2ds4 s VAL 109 Cb -0.21 -4.29 0.26 0.00 0.00 0.00 0.00 36.38 32.14 2ds4 s VAL 109 CO -0.01 -0.57 1.19 -0.13 0.00 0.00 0.00 175.10 175.58 2ds4 s ARG 110 N 3.31 -0.60 -0.08 2.72 0.52 0.60 -1.41 118.95 124.00 2ds4 s ARG 110 Ca 0.33 -0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 2ds4 s ARG 110 Cb -0.12 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 2ds4 s ARG 110 CO 0.20 -3.27 0.04 1.03 0.02 0.00 0.00 175.30 173.31 2ds4 s ARG 111 N -5.60 3.09 0.22 3.54 0.52 -1.26 -1.75 118.95 117.70 2ds4 s ARG 111 Ca 0.72 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.27 2ds4 s ARG 111 Cb -0.07 -2.88 -0.10 0.00 0.52 0.00 0.00 34.95 32.42 2ds4 s ARG 111 CO 0.55 0.71 1.44 0.21 0.02 0.00 0.00 175.30 178.23 2ds4 s LYS 112 N -1.01 4.28 0.00 3.54 2.20 -1.26 -4.83 119.74 122.66 2ds4 s LYS 112 Ca 0.15 2.26 0.31 0.00 -0.36 0.00 0.00 55.97 58.33 2ds4 s LYS 112 Cb -0.12 -3.14 1.69 0.00 -1.51 0.00 0.00 37.83 34.75 2ds4 s LYS 112 CO 0.04 -0.43 2.10 0.72 -0.36 0.00 0.00 175.35 177.42