#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 0.22 0.06 1.61 0.01 -1.26 -5.17 113.70 109.17 2ds4 s SER 2 Ca 0.00 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2ds4 s SER 2 Cb 0.00 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 2ds4 s SER 2 CO 0.00 -0.45 -0.05 -0.44 0.41 0.00 0.00 173.24 172.71 2ds4 s SER 3 N -1.99 0.76 0.00 2.44 0.01 -1.26 -5.14 113.70 108.51 2ds4 s SER 3 Ca -0.07 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2ds4 s SER 3 Cb -0.03 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2ds4 s SER 3 CO -0.04 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2ds4 n GLY 4 N 0.41 0.82 3.76 3.44 0.00 -1.26 -5.15 105.19 107.21 2ds4 n GLY 4 Ca -0.16 0.59 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 7.40 0.11 1.61 0.15 -1.26 -4.96 113.70 116.74 2ds4 s SER 5 Ca 0.00 2.16 -0.14 0.00 0.70 0.00 0.00 55.95 58.67 2ds4 s SER 5 Cb 0.00 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.60 2ds4 s SER 5 CO 0.00 -0.04 1.40 0.28 1.20 0.00 0.00 173.24 176.08 2ds4 h SER 6 N 3.96 0.83 0.00 5.45 0.02 -1.95 -3.47 113.55 118.39 2ds4 h SER 6 Ca -0.46 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 59.98 2ds4 h SER 6 Cb 1.21 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2ds4 h SER 6 CO 0.67 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 178.15 2ds4 n GLY 7 N 0.27 4.06 3.78 -3.77 0.00 -1.26 -5.14 105.19 103.13 2ds4 n GLY 7 Ca -0.04 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 2ds4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ds4 s GLU 8 N 3.60 2.20 0.06 1.61 0.41 -1.26 -4.99 118.70 120.32 2ds4 s GLU 8 Ca 0.00 -2.07 -0.25 0.00 -0.41 0.00 0.00 54.97 52.24 2ds4 s GLU 8 Cb 0.00 -1.85 -0.06 0.00 -1.78 0.00 0.00 34.13 30.44 2ds4 s GLU 8 CO 0.00 -0.31 0.77 0.54 -0.49 0.00 0.00 175.26 175.77 2ds4 s VAL 9 N -2.73 4.69 -0.05 2.63 0.11 -1.26 -2.17 120.40 121.62 2ds4 s VAL 9 Ca 0.29 1.63 0.06 0.00 -2.93 0.00 0.00 61.98 61.03 2ds4 s VAL 9 Cb 0.02 -4.12 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2ds4 s VAL 9 CO 0.16 0.38 -0.24 -0.62 -3.33 0.00 0.00 175.10 171.46 2ds4 s ASP 10 N -0.19 2.93 -0.02 3.54 -1.08 -0.85 -4.85 116.67 116.15 2ds4 s ASP 10 Ca 0.38 -0.48 -0.26 0.00 -0.52 0.00 0.00 52.55 51.67 2ds4 s ASP 10 Cb -0.21 -0.71 -0.20 0.00 -1.46 0.00 0.00 42.92 40.34 2ds4 s ASP 10 CO 0.23 0.25 1.26 1.55 0.52 0.00 0.00 175.17 178.98 2ds4 h PRO 11 N 5.97 -0.01 -0.18 4.34 0.13 -1.87 -2.42 132.00 137.97 2ds4 h PRO 11 Ca -0.34 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.84 2ds4 h PRO 11 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2ds4 h PRO 11 CO 0.47 0.47 0.37 0.00 -0.23 0.00 0.00 178.00 179.08 2ds4 h ALA 12 N 0.48 1.68 0.00 -0.56 0.00 -1.89 0.28 119.26 119.25 2ds4 h ALA 12 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2ds4 h ALA 12 Cb 0.49 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2ds4 h ALA 12 CO 0.00 -0.46 -1.65 1.63 0.00 0.00 0.00 179.25 178.78 2ds4 n LYS 13 N -3.28 0.63 -0.64 0.00 4.76 -1.15 -4.25 118.16 114.22 2ds4 n LYS 13 Ca 0.02 0.29 -0.31 0.00 -2.87 0.00 0.00 58.31 55.44 2ds4 n LYS 13 Cb 0.47 -1.80 0.18 0.00 -1.84 0.00 0.00 35.03 32.05 2ds4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ds4 n VAL 15 N -4.35 0.00 -4.35 0.00 0.24 -1.15 -4.03 118.33 104.69 2ds4 n VAL 15 Ca 0.06 -1.97 -0.18 0.00 -2.04 0.00 0.00 64.34 60.21 2ds4 n VAL 15 Cb 0.55 1.04 -0.14 0.00 -1.47 0.00 0.00 33.84 33.82 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 2.05 0.27 1.34 1.43 -1.26 -3.27 118.68 119.24 2ds4 s LEU 16 Ca 0.32 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 2ds4 s LEU 16 Cb 0.01 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 2ds4 s LEU 16 CO 0.23 0.08 0.09 -1.10 0.23 0.00 0.00 176.35 175.88 2ds4 s GLN 17 N -0.38 2.54 0.00 1.70 -1.52 -0.18 -4.99 119.66 116.83 2ds4 s GLN 17 Ca 0.02 -1.30 0.00 0.00 -1.95 0.00 0.00 55.36 52.14 2ds4 s GLN 17 Cb -0.04 -2.31 0.00 0.00 -0.22 0.00 0.00 33.01 30.43 2ds4 s GLN 17 CO -0.00 0.34 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 2ds4 n GLY 18 N -1.04 3.79 0.22 3.09 0.00 -1.26 -3.82 105.19 106.17 2ds4 n GLY 18 Ca -0.06 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2ds4 n GLY 18 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ds4 h GLU 19 N 0.00 0.70 -2.60 1.61 4.81 -1.98 -3.32 114.58 113.81 2ds4 h GLU 19 Ca 0.00 -0.28 -0.73 0.00 -0.13 0.00 0.00 59.36 58.22 2ds4 h GLU 19 Cb 0.00 -0.03 -0.34 0.00 0.63 0.00 0.00 28.75 29.01 2ds4 h GLU 19 CO 0.00 0.87 0.25 -0.25 -0.73 0.00 0.00 179.01 179.15 2ds4 n ASP 20 N -4.37 5.43 -0.03 1.04 8.00 -1.26 -4.76 116.55 120.60 2ds4 n ASP 20 Ca -0.02 -3.45 -0.22 0.00 0.71 0.00 0.00 54.79 51.82 2ds4 n ASP 20 Cb 0.36 -1.03 -0.13 0.00 -0.02 0.00 0.00 41.12 40.30 2ds4 n ASP 20 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ds4 n LEU 21 N 1.05 2.42 -0.97 0.64 4.77 -1.25 -4.06 117.00 119.60 2ds4 n LEU 21 Ca 0.28 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.53 2ds4 n LEU 21 Cb 0.36 -1.07 0.11 0.00 -2.33 0.00 0.00 43.42 40.49 2ds4 n LEU 21 CO 0.59 0.69 0.48 1.41 -1.33 0.00 0.00 177.39 179.24 2ds4 n HIS 22 N -3.75 0.65 -3.80 -1.77 8.25 -1.26 -4.80 115.22 108.73 2ds4 n HIS 22 Ca -0.33 -0.32 -0.13 0.00 -0.26 0.00 0.00 57.72 56.69 2ds4 n HIS 22 Cb 0.94 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.41 0.44 0.19 -0.41 3.52 -1.26 -2.74 118.95 117.28 2ds4 s ARG 23 Ca 0.16 0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.70 2ds4 s ARG 23 Cb 0.12 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.71 2ds4 s ARG 23 CO 0.04 -0.09 0.35 0.00 -0.81 0.00 0.00 175.30 174.79 2ds4 s ALA 24 N -0.59 -0.09 -0.05 6.12 0.00 -0.85 -4.87 121.76 121.43 2ds4 s ALA 24 Ca -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.09 2ds4 s ALA 24 Cb -0.04 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2ds4 s ALA 24 CO 0.02 -0.71 -0.23 0.50 0.00 0.00 0.00 175.76 175.34 2ds4 s ARG 25 N -3.98 2.30 0.06 0.00 3.52 -1.26 -1.24 118.95 118.35 2ds4 s ARG 25 Ca 0.19 -0.83 -0.37 0.00 -0.13 0.00 0.00 55.73 54.58 2ds4 s ARG 25 Cb 0.02 -1.99 -0.17 0.00 -1.56 0.00 0.00 34.95 31.25 2ds4 s ARG 25 CO 0.02 0.37 1.32 -1.91 -0.81 0.00 0.00 175.30 174.29 2ds4 n GLU 26 N 2.93 1.00 -3.74 5.12 4.07 -0.75 -0.61 120.64 128.66 2ds4 n GLU 26 Ca -0.17 0.36 -0.26 0.00 -0.06 0.00 0.00 57.16 57.03 2ds4 n GLU 26 Cb 0.52 -1.99 0.05 0.00 -0.06 0.00 0.00 31.44 29.96 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 2.47 -6.32 -4.77 5.31 5.02 0.53 -4.57 118.16 115.84 2ds4 n LYS 27 Ca 0.19 0.70 -0.28 0.00 -2.02 0.00 0.00 58.31 56.90 2ds4 n LYS 27 Cb 0.17 -5.60 -0.14 0.00 -0.02 0.00 0.00 35.03 29.44 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 -6.32 1.57 -0.69 1.97 2.00 0.21 -4.97 119.66 113.44 2ds4 s GLN 28 Ca 0.48 -1.01 -0.21 0.00 -2.00 0.00 0.00 55.36 52.63 2ds4 s GLN 28 Cb -0.23 -1.71 0.09 0.00 0.80 0.00 0.00 33.01 31.96 2ds4 s GLN 28 CO 0.79 0.44 0.91 0.99 -0.50 0.00 0.00 175.29 177.92 2ds4 s THR 29 N -0.79 4.57 -0.34 -0.34 2.01 -1.26 -4.00 115.64 115.49 2ds4 s THR 29 Ca 0.09 -0.81 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 2ds4 s THR 29 Cb -0.09 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.76 2ds4 s THR 29 CO 0.02 -1.36 0.31 0.00 -0.69 0.00 0.00 174.62 172.90 2ds4 s ALA 30 N 3.33 3.50 0.11 7.40 0.00 -0.85 -4.92 121.76 130.33 2ds4 s ALA 30 Ca 0.21 -1.26 0.09 0.00 0.00 0.00 0.00 51.96 51.00 2ds4 s ALA 30 Cb -0.17 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2ds4 s ALA 30 CO 0.05 -1.00 -0.24 -1.54 0.00 0.00 0.00 175.76 173.04 2ds4 s SER 31 N 1.73 2.88 0.22 0.00 1.04 -1.26 -1.47 113.70 116.83 2ds4 s SER 31 Ca 0.09 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.77 2ds4 s SER 31 Cb -0.17 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 2ds4 s SER 31 CO 0.11 0.12 0.26 0.72 0.98 0.00 0.00 173.24 175.43 2ds4 s PHE 32 N -1.09 0.85 -0.14 5.02 -0.71 -0.75 -4.98 117.98 116.17 2ds4 s PHE 32 Ca 0.10 -1.13 -0.05 0.00 -1.04 0.00 0.00 56.93 54.81 2ds4 s PHE 32 Cb -0.10 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 2ds4 s PHE 32 CO 0.05 -0.77 0.05 0.99 -1.34 0.00 0.00 175.22 174.19 2ds4 s THR 33 N -4.10 4.66 -0.39 -4.49 2.01 -1.25 -3.20 115.64 108.88 2ds4 s THR 33 Ca 0.32 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.16 2ds4 s THR 33 Cb 0.04 -3.05 0.07 0.00 0.01 0.00 0.00 72.50 69.58 2ds4 s THR 33 CO 0.11 0.53 0.20 -0.22 -0.69 0.00 0.00 174.62 174.54 2ds4 s LEU 34 N -0.18 4.89 0.28 4.42 2.96 -1.20 -1.01 118.68 128.84 2ds4 s LEU 34 Ca 0.07 -1.49 -0.23 0.00 -0.22 0.00 0.00 54.13 52.26 2ds4 s LEU 34 Cb -0.12 -1.91 -0.09 0.00 0.50 0.00 0.00 46.19 44.56 2ds4 s LEU 34 CO 0.02 -0.47 0.84 -0.76 -1.32 0.00 0.00 176.35 174.66 2ds4 s LEU 35 N 1.36 4.32 -0.09 -0.68 1.43 -1.20 -2.63 118.68 121.19 2ds4 s LEU 35 Ca 0.02 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 2ds4 s LEU 35 Cb -0.22 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 2ds4 s LEU 35 CO 0.01 -0.04 -0.22 0.00 0.23 0.00 0.00 176.35 176.33 2ds4 s LYS 37 N 0.15 1.69 0.73 0.00 3.01 -1.26 -4.01 119.74 120.05 2ds4 s LYS 37 Ca -0.12 -1.89 -0.08 0.00 -1.01 0.00 0.00 55.97 52.87 2ds4 s LYS 37 Cb -0.16 -1.31 0.16 0.00 -1.01 0.00 0.00 37.83 35.51 2ds4 s LYS 37 CO 0.07 0.01 1.00 -0.40 0.51 0.00 0.00 175.35 176.54 2ds4 n ASP 38 N -0.71 0.59 -0.10 2.83 5.75 -0.11 -2.00 116.55 122.80 2ds4 n ASP 38 Ca -0.05 -1.68 0.15 0.00 -0.01 0.00 0.00 54.79 53.20 2ds4 n ASP 38 Cb 0.64 -0.72 0.54 0.00 -1.03 0.00 0.00 41.12 40.55 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ds4 h ALA 39 N -1.24 2.14 0.00 2.12 0.00 -1.76 0.34 119.26 120.86 2ds4 h ALA 39 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ds4 h ALA 39 Cb 1.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ds4 h ALA 39 CO 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2ds4 h ALA 40 N 1.68 1.00 0.00 0.00 0.00 -1.92 -3.47 119.26 116.55 2ds4 h ALA 40 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ds4 h ALA 40 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ds4 h ALA 40 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2ds4 n GLY 41 N 0.81 0.85 3.69 0.00 0.00 0.12 -5.08 105.19 105.57 2ds4 n GLY 41 Ca 0.04 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.35 2.44 0.34 1.61 -1.05 -1.26 -4.77 118.70 114.66 2ds4 s GLU 42 Ca 0.00 -1.34 -0.29 0.00 -0.15 0.00 0.00 54.97 53.19 2ds4 s GLU 42 Cb 0.00 -2.25 -0.11 0.00 -0.44 0.00 0.00 34.13 31.32 2ds4 s GLU 42 CO 0.00 0.36 1.50 -0.89 0.95 0.00 0.00 175.26 177.19 2ds4 n ILE 43 N -0.97 1.61 -0.03 1.83 2.08 -1.26 -0.93 119.36 121.68 2ds4 n ILE 43 Ca -0.07 -0.40 -0.01 0.00 0.56 0.00 0.00 62.75 62.83 2ds4 n ILE 43 Cb 0.59 -1.91 -0.07 0.00 -0.75 0.00 0.00 39.64 37.50 2ds4 n ILE 43 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 2ds4 n MET 44 N 1.13 1.88 -3.69 0.38 0.00 -1.26 -4.81 117.12 110.75 2ds4 n MET 44 Ca 0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 57.70 57.47 2ds4 n MET 44 Cb 0.37 -1.21 0.06 0.00 0.00 0.00 0.00 33.22 32.45 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 2.33 -0.49 3.16 3.17 0.00 -1.26 -4.22 105.19 107.87 2ds4 n GLY 45 Ca -0.09 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.29 0.69 0.10 1.61 0.52 -1.26 -4.69 118.95 109.63 2ds4 s ARG 46 Ca 0.50 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 2ds4 s ARG 46 Cb -0.23 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.52 2ds4 s ARG 46 CO 0.77 -0.19 0.06 0.41 0.02 0.00 0.00 175.30 176.37 2ds4 n GLY 47 N 0.46 3.15 0.00 -3.53 0.00 -1.26 -3.89 105.19 100.12 2ds4 n GLY 47 Ca -0.17 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 3.80 0.57 2.82 -0.02 0.00 -1.26 -5.04 105.19 106.05 2ds4 n GLY 48 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ds4 s ASP 49 N -1.01 2.46 -0.59 1.61 -4.77 -1.26 -5.07 116.67 108.05 2ds4 s ASP 49 Ca 0.00 -0.52 -0.26 0.00 -3.30 0.00 0.00 52.55 48.47 2ds4 s ASP 49 Cb 0.00 -0.70 -0.10 0.00 -1.09 0.00 0.00 42.92 41.04 2ds4 s ASP 49 CO 0.00 -0.21 2.44 0.59 0.70 0.00 0.00 175.17 178.68 2ds4 n ASN 50 N 5.00 2.02 -4.76 2.11 4.13 -1.26 -4.92 115.26 117.58 2ds4 n ASN 50 Ca -0.10 -0.64 -0.36 0.00 1.68 0.00 0.00 54.58 55.17 2ds4 n ASN 50 Cb 0.48 -1.54 -0.08 0.00 -1.54 0.00 0.00 39.78 37.11 2ds4 n ASN 50 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2ds4 s VAL 51 N 12.30 5.31 -0.05 2.41 1.01 -1.26 -1.68 120.40 138.43 2ds4 s VAL 51 Ca 1.01 0.15 0.03 0.00 0.00 0.00 0.00 61.98 63.16 2ds4 s VAL 51 Cb -0.25 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2ds4 s VAL 51 CO 0.25 0.51 -0.14 -1.10 0.00 0.00 0.00 175.10 174.62 2ds4 s GLN 52 N -0.15 1.66 -0.17 2.72 -0.21 -1.00 -5.05 119.66 117.47 2ds4 s GLN 52 Ca 0.10 -0.47 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 2ds4 s GLN 52 Cb -0.12 -1.40 0.04 0.00 1.00 0.00 0.00 33.01 32.54 2ds4 s GLN 52 CO 0.00 0.11 -0.03 0.08 -2.12 0.00 0.00 175.29 173.33 2ds4 s VAL 53 N 0.39 0.97 -0.07 1.09 1.01 -1.25 -2.83 120.40 119.71 2ds4 s VAL 53 Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2ds4 s VAL 53 Cb -0.13 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2ds4 s VAL 53 CO 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 175.10 175.11 2ds4 s ALA 54 N 1.69 1.12 -0.20 5.51 0.00 -0.68 -4.93 121.76 124.26 2ds4 s ALA 54 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 2ds4 s ALA 54 Cb -0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2ds4 s ALA 54 CO -0.07 -0.10 0.07 0.08 0.00 0.00 0.00 175.76 175.74 2ds4 s VAL 55 N 1.09 4.67 -0.08 0.00 1.01 -1.26 -0.30 120.40 125.53 2ds4 s VAL 55 Ca -0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2ds4 s VAL 55 Cb -0.14 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.13 2ds4 s VAL 55 CO -0.01 0.42 -0.05 -0.69 0.00 0.00 0.00 175.10 174.77 2ds4 s VAL 56 N 0.78 0.71 0.06 2.92 1.01 -0.89 -3.62 120.40 121.36 2ds4 s VAL 56 Ca 0.04 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 2ds4 s VAL 56 Cb -0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2ds4 s VAL 56 CO 0.02 0.30 1.41 -2.16 0.00 0.00 0.00 175.10 174.67 2ds4 s PRO 57 N 1.57 4.30 0.39 2.72 0.04 -1.25 -0.74 135.00 142.03 2ds4 s PRO 57 Ca 0.00 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.19 2ds4 s PRO 57 Cb -0.13 -3.43 0.92 0.00 0.04 0.00 0.00 34.50 31.90 2ds4 s PRO 57 CO -0.05 -0.51 1.92 -0.22 0.04 0.00 0.00 177.00 178.18 2ds4 h LYS 58 N 7.39 0.55 0.89 4.56 3.64 -1.69 -2.59 116.57 129.31 2ds4 h LYS 58 Ca -0.40 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 2ds4 h LYS 58 Cb 1.19 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2ds4 h LYS 58 CO 0.88 0.36 -0.46 -0.44 -2.27 0.00 0.00 179.45 177.52 2ds4 h ASP 59 N 0.56 -1.11 -3.31 4.20 3.32 -1.91 -3.42 116.42 114.75 2ds4 h ASP 59 Ca 0.37 0.05 -0.64 0.00 0.02 0.00 0.00 57.03 56.82 2ds4 h ASP 59 Cb 0.64 0.30 -0.22 0.00 0.22 0.00 0.00 39.33 40.27 2ds4 h ASP 59 CO -0.13 -0.76 -0.68 -0.54 -1.72 0.00 0.00 179.24 175.41 2ds4 s LYS 60 N -5.99 3.61 0.28 3.56 -0.14 -0.98 -4.99 119.74 115.09 2ds4 s LYS 60 Ca -0.19 -0.55 0.18 0.00 -1.36 0.00 0.00 55.97 54.05 2ds4 s LYS 60 Cb 0.03 -2.86 0.09 0.00 -1.68 0.00 0.00 37.83 33.41 2ds4 s LYS 60 CO 0.60 0.25 1.34 0.87 -0.76 0.00 0.00 175.35 177.65 2ds4 h LYS 61 N 6.67 0.00 0.00 1.68 6.56 -1.82 -3.34 116.57 126.32 2ds4 h LYS 61 Ca -0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 2ds4 h LYS 61 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2ds4 h LYS 61 CO 0.61 0.28 -0.11 -0.44 -2.06 0.00 0.00 179.45 177.74 2ds4 h ASP 62 N 0.00 0.00 0.00 0.86 5.19 -1.94 -3.46 116.42 117.08 2ds4 h ASP 62 Ca -0.03 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.12 2ds4 h ASP 62 Cb 1.27 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.72 2ds4 h ASP 62 CO 0.04 0.17 1.13 -1.20 -3.12 0.00 0.00 179.24 176.26 2ds4 n SER 63 N -2.81 -0.31 -3.42 6.45 7.64 -1.26 -4.84 113.62 115.08 2ds4 n SER 63 Ca -0.02 -0.09 -0.26 0.00 1.01 0.00 0.00 58.87 59.51 2ds4 n SER 63 Cb 0.06 -0.44 0.22 0.00 -1.01 0.00 0.00 64.21 63.03 2ds4 n SER 63 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ds4 n PRO 64 N 4.25 -2.88 -4.04 1.43 -0.04 -1.26 -4.45 135.00 128.00 2ds4 n PRO 64 Ca 0.40 -1.52 -0.13 0.00 -0.04 0.00 0.00 63.50 62.21 2ds4 n PRO 64 Cb 0.05 -1.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 2ds4 n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ds4 s VAL 65 N -2.72 0.36 -0.16 0.52 1.01 -1.24 -4.96 120.40 113.22 2ds4 s VAL 65 Ca 0.62 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 2ds4 s VAL 65 Cb -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2ds4 s VAL 65 CO 0.47 -0.27 0.75 -0.13 0.00 0.00 0.00 175.10 175.93 2ds4 s ARG 66 N -1.10 4.30 0.36 2.72 0.52 -1.26 -4.75 118.95 119.74 2ds4 s ARG 66 Ca -0.08 0.89 0.04 0.00 -0.52 0.00 0.00 55.73 56.06 2ds4 s ARG 66 Cb -0.07 -3.55 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 2ds4 s ARG 66 CO -0.00 -0.23 0.05 0.95 0.02 0.00 0.00 175.30 176.09 2ds4 s THR 67 N 1.83 1.33 -0.01 0.02 -4.23 -1.26 -3.14 115.64 110.17 2ds4 s THR 67 Ca 0.36 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 2ds4 s THR 67 Cb -0.17 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 70.91 2ds4 s THR 67 CO 0.13 0.00 -0.02 -0.32 -0.54 0.00 0.00 174.62 173.87 2ds4 s MET 68 N -3.83 0.28 -0.28 3.99 1.75 0.95 -4.98 119.30 117.18 2ds4 s MET 68 Ca 0.33 -0.04 -0.01 0.00 -1.25 0.00 0.00 55.69 54.73 2ds4 s MET 68 Cb 0.08 -0.35 0.09 0.00 2.84 0.00 0.00 34.83 37.49 2ds4 s MET 68 CO 0.15 -0.01 0.07 0.54 -0.65 0.00 0.00 175.02 175.12 2ds4 s VAL 69 N 0.37 0.89 -0.60 10.11 0.11 -1.26 -2.18 120.40 127.84 2ds4 s VAL 69 Ca -0.04 -1.22 -0.15 0.00 -2.93 0.00 0.00 61.98 57.65 2ds4 s VAL 69 Cb -0.06 -1.56 0.15 0.00 -1.53 0.00 0.00 36.38 33.38 2ds4 s VAL 69 CO -0.01 -0.52 0.55 -1.58 -3.33 0.00 0.00 175.10 170.21 2ds4 s GLN 70 N 1.64 3.08 0.11 1.54 0.74 -0.73 -5.04 119.66 120.99 2ds4 s GLN 70 Ca 0.06 -1.88 -0.31 0.00 0.05 0.00 0.00 55.36 53.28 2ds4 s GLN 70 Cb -0.17 -4.30 -0.09 0.00 1.10 0.00 0.00 33.01 29.55 2ds4 s GLN 70 CO -0.19 -1.31 1.63 0.16 -0.55 0.00 0.00 175.29 175.02 2ds4 s ASP 71 N 3.20 6.59 -0.09 6.67 -4.77 -1.26 -3.41 116.67 123.60 2ds4 s ASP 71 Ca 0.07 2.54 0.03 0.00 -3.30 0.00 0.00 52.55 51.89 2ds4 s ASP 71 Cb -0.25 -2.57 -0.07 0.00 -1.09 0.00 0.00 42.92 38.93 2ds4 s ASP 71 CO 0.00 -0.87 -0.04 0.59 0.70 0.00 0.00 175.17 175.56 2ds4 n ASN 72 N 5.00 3.21 -3.52 2.11 3.02 -1.26 -5.03 115.26 118.79 2ds4 n ASN 72 Ca 0.15 -0.03 -0.22 0.00 -0.03 0.00 0.00 54.58 54.45 2ds4 n ASN 72 Cb 0.40 0.20 0.08 0.00 -0.61 0.00 0.00 39.78 39.84 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 -2.57 -7.60 -1.60 3.52 4.76 -1.26 -4.91 118.16 108.49 2ds4 n LYS 73 Ca -0.15 0.82 -0.02 0.00 -2.87 0.00 0.00 58.31 56.09 2ds4 n LYS 73 Cb 0.71 -5.83 0.08 0.00 -1.84 0.00 0.00 35.03 28.15 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2ds4 n ASP 74 N -2.98 2.11 0.00 4.39 2.03 -1.26 -4.34 116.55 116.50 2ds4 n ASP 74 Ca -0.05 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.33 2ds4 n ASP 74 Cb 0.58 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ds4 n GLY 75 N -0.45 2.85 3.45 0.27 0.00 -1.25 -4.80 105.19 105.26 2ds4 n GLY 75 Ca 0.18 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.13 1.08 0.29 2.61 -4.23 -1.26 -3.00 115.64 108.99 2ds4 s THR 76 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2ds4 s THR 76 Cb 0.00 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 71.05 2ds4 s THR 76 CO 0.00 0.00 0.04 -0.31 -0.54 0.00 0.00 174.62 173.81 2ds4 s TYR 77 N -3.32 1.78 -0.29 3.99 1.51 -1.08 -4.14 117.35 115.81 2ds4 s TYR 77 Ca 0.35 -0.97 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 2ds4 s TYR 77 Cb 0.08 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 40.90 2ds4 s TYR 77 CO 0.15 -0.05 0.00 -0.47 -1.11 0.00 0.00 175.55 174.08 2ds4 s TYR 78 N -3.39 2.80 -0.01 2.71 5.04 -1.22 -3.23 117.35 120.05 2ds4 s TYR 78 Ca 0.34 -2.22 0.04 0.00 -2.44 0.00 0.00 57.07 52.80 2ds4 s TYR 78 Cb 0.07 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.28 2ds4 s TYR 78 CO 0.13 -0.86 -0.11 0.42 -1.34 0.00 0.00 175.55 173.78 2ds4 s ILE 79 N 1.25 3.29 -0.10 3.14 1.01 -1.19 -1.78 121.20 126.82 2ds4 s ILE 79 Ca 0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 2ds4 s ILE 79 Cb -0.19 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 39.93 2ds4 s ILE 79 CO -0.10 0.44 0.33 -0.94 0.00 0.00 0.00 174.94 174.67 2ds4 s SER 80 N -1.21 -0.31 -0.04 3.58 1.04 -0.92 -1.81 113.70 114.03 2ds4 s SER 80 Ca 0.15 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 57.07 2ds4 s SER 80 Cb -0.11 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2ds4 s SER 80 CO 0.05 -0.20 0.11 -0.72 0.98 0.00 0.00 173.24 173.46 2ds4 s TYR 81 N -0.19 -0.12 -0.23 5.02 -0.85 -0.55 -0.04 117.35 120.41 2ds4 s TYR 81 Ca -0.03 0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.81 2ds4 s TYR 81 Cb -0.03 0.04 0.06 0.00 0.38 0.00 0.00 41.96 42.40 2ds4 s TYR 81 CO 0.01 -0.06 -0.07 0.99 -1.52 0.00 0.00 175.55 174.90 2ds4 s THR 82 N 0.04 1.66 0.38 -3.49 2.01 -1.19 -2.00 115.64 113.05 2ds4 s THR 82 Ca -0.00 -1.24 -0.26 0.00 0.31 0.00 0.00 61.69 60.50 2ds4 s THR 82 Cb -0.01 -1.85 -0.09 0.00 0.01 0.00 0.00 72.50 70.56 2ds4 s THR 82 CO 0.00 -0.03 1.20 -2.16 -0.69 0.00 0.00 174.62 172.94 2ds4 s PRO 83 N 1.35 4.14 -0.08 4.92 0.04 -1.26 -4.50 135.00 139.61 2ds4 s PRO 83 Ca -0.05 1.92 0.17 0.00 0.04 0.00 0.00 61.00 63.08 2ds4 s PRO 83 Cb -0.18 -2.78 -0.23 0.00 0.04 0.00 0.00 34.50 31.35 2ds4 s PRO 83 CO -0.06 -0.27 0.44 0.36 0.04 0.00 0.00 177.00 177.50 2ds4 n LYS 84 N 0.28 0.66 -4.12 4.56 2.85 -1.26 -0.34 118.16 120.78 2ds4 n LYS 84 Ca 0.03 0.09 -0.15 0.00 -1.05 0.00 0.00 58.31 57.23 2ds4 n LYS 84 Cb 0.45 -1.65 -0.12 0.00 -0.65 0.00 0.00 35.03 33.06 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ds4 s GLU 85 N -2.77 0.60 0.74 -1.58 0.41 -1.26 -4.69 118.70 110.16 2ds4 s GLU 85 Ca -0.07 -0.72 -0.12 0.00 -0.41 0.00 0.00 54.97 53.65 2ds4 s GLU 85 Cb 0.08 -0.46 0.04 0.00 -1.78 0.00 0.00 34.13 32.01 2ds4 s GLU 85 CO 0.83 0.10 1.10 -1.25 -0.49 0.00 0.00 175.26 175.55 2ds4 s PRO 86 N -1.39 2.41 0.00 0.39 0.04 -1.26 -4.92 135.00 130.26 2ds4 s PRO 86 Ca -0.06 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2ds4 s PRO 86 Cb -0.09 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ds4 s PRO 86 CO 0.01 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.92 2ds4 n GLY 87 N -1.01 0.78 3.79 0.56 0.00 -0.73 -4.98 105.19 103.60 2ds4 n GLY 87 Ca 0.09 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.11 4.75 0.32 1.61 0.11 -1.26 -0.09 120.40 124.73 2ds4 s VAL 88 Ca 0.00 1.31 0.04 0.00 -2.93 0.00 0.00 61.98 60.41 2ds4 s VAL 88 Cb 0.00 -3.95 -0.06 0.00 -1.53 0.00 0.00 36.38 30.83 2ds4 s VAL 88 CO 0.00 0.49 0.04 -0.31 -3.33 0.00 0.00 175.10 171.99 2ds4 s TYR 89 N -0.72 1.96 -0.24 1.54 1.51 0.77 -1.92 117.35 120.26 2ds4 s TYR 89 Ca 0.31 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 2ds4 s TYR 89 Cb -0.20 -1.26 0.07 0.00 -0.11 0.00 0.00 41.96 40.46 2ds4 s TYR 89 CO 0.19 0.07 0.00 0.99 -1.11 0.00 0.00 175.55 175.69 2ds4 s THR 90 N -3.24 1.13 -0.24 -0.71 2.01 0.08 -0.45 115.64 114.23 2ds4 s THR 90 Ca 0.35 -1.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.01 2ds4 s THR 90 Cb 0.08 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 71.03 2ds4 s THR 90 CO 0.15 -0.24 0.94 -0.69 -0.69 0.00 0.00 174.62 174.09 2ds4 s VAL 91 N 1.56 4.74 -0.41 3.82 1.01 -0.97 -2.09 120.40 128.06 2ds4 s VAL 91 Ca -0.01 1.79 -0.15 0.00 0.00 0.00 0.00 61.98 63.61 2ds4 s VAL 91 Cb -0.18 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.99 2ds4 s VAL 91 CO -0.09 -0.15 0.32 0.26 0.00 0.00 0.00 175.10 175.43 2ds4 s TRP 92 N 3.06 3.23 -0.28 5.22 0.52 0.59 -3.07 118.94 128.21 2ds4 s TRP 92 Ca 0.40 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 56.00 2ds4 s TRP 92 Cb -0.15 -2.63 0.08 0.00 -1.15 0.00 0.00 33.47 29.62 2ds4 s TRP 92 CO 0.07 -0.59 -0.00 0.08 0.02 0.00 0.00 176.95 176.53 2ds4 s VAL 93 N 1.75 1.71 -0.01 4.03 1.01 -1.26 -1.68 120.40 125.95 2ds4 s VAL 93 Ca 0.06 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.44 2ds4 s VAL 93 Cb -0.19 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2ds4 s VAL 93 CO 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 175.10 174.74 2ds4 s ILE 95 N -0.15 2.74 -1.06 0.00 1.01 0.22 -2.38 121.20 121.58 2ds4 s ILE 95 Ca 0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2ds4 s ILE 95 Cb -0.06 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2ds4 s ILE 95 CO -0.00 0.49 0.90 0.29 0.00 0.00 0.00 174.94 176.61 2ds4 n LYS 96 N 4.58 -5.99 -3.48 2.79 5.02 -0.68 -2.77 118.16 117.64 2ds4 n LYS 96 Ca -0.19 0.71 -0.21 0.00 -2.02 0.00 0.00 58.31 56.60 2ds4 n LYS 96 Cb 0.51 -5.34 0.08 0.00 -0.02 0.00 0.00 35.03 30.25 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 -3.87 -7.16 -3.73 1.97 1.02 -1.26 -5.01 120.64 102.60 2ds4 n GLU 97 Ca -0.15 0.78 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2ds4 n GLU 97 Cb 0.61 -5.65 -0.11 0.00 -0.02 0.00 0.00 31.44 26.27 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 -6.01 0.41 -0.53 3.49 -0.21 -1.12 -5.12 119.66 110.58 2ds4 s GLN 98 Ca 0.42 0.57 -0.26 0.00 0.02 0.00 0.00 55.36 56.11 2ds4 s GLN 98 Cb -0.19 0.14 0.03 0.00 1.00 0.00 0.00 33.01 34.00 2ds4 s GLN 98 CO 0.68 -0.08 1.05 -3.38 -2.12 0.00 0.00 175.29 171.44 2ds4 s HIS 99 N 0.52 2.76 1.11 0.91 -3.43 -1.26 0.71 115.29 116.61 2ds4 s HIS 99 Ca -0.03 0.32 -0.16 0.00 -0.80 0.00 0.00 55.06 54.39 2ds4 s HIS 99 Cb -0.04 -4.25 0.19 0.00 -1.43 0.00 0.00 32.58 27.05 2ds4 s HIS 99 CO -0.03 -1.36 0.34 1.33 -2.00 0.00 0.00 174.74 173.02 2ds4 n VAL 100 N 6.50 0.00 -1.32 -5.38 0.24 -1.16 -4.65 118.33 112.56 2ds4 n VAL 100 Ca 0.06 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 2ds4 n VAL 100 Cb 0.48 -0.60 0.10 0.00 -1.47 0.00 0.00 33.84 32.36 2ds4 n VAL 100 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2ds4 s GLN 101 N -3.71 1.97 -1.61 7.34 0.74 -1.22 -3.13 119.66 120.04 2ds4 s GLN 101 Ca 0.46 1.73 -0.05 0.00 0.05 0.00 0.00 55.36 57.55 2ds4 s GLN 101 Cb -0.08 -1.82 0.05 0.00 1.10 0.00 0.00 33.01 32.26 2ds4 s GLN 101 CO 0.45 -1.96 0.14 0.41 -0.55 0.00 0.00 175.29 173.78 2ds4 n GLY 102 N 0.36 -0.18 3.57 2.59 0.00 -1.26 -4.88 105.19 105.39 2ds4 n GLY 102 Ca 0.13 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.17 -0.70 1.24 1.61 0.15 -1.18 -4.51 113.70 106.13 2ds4 s SER 103 Ca 0.16 1.07 -0.20 0.00 0.70 0.00 0.00 55.95 57.69 2ds4 s SER 103 Cb -0.09 0.99 0.29 0.00 -1.71 0.00 0.00 66.02 65.50 2ds4 s SER 103 CO 1.00 -0.43 1.03 -0.81 1.20 0.00 0.00 173.24 175.23 2ds4 n PRO 104 N 1.78 -3.05 -4.04 5.44 -0.04 -1.26 -4.55 135.00 129.28 2ds4 n PRO 104 Ca -0.17 -1.65 -0.09 0.00 -0.04 0.00 0.00 63.50 61.55 2ds4 n PRO 104 Cb 0.56 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2ds4 n PRO 104 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ds4 s PHE 105 N -2.87 0.56 -0.07 0.54 -0.12 -1.17 -5.01 117.98 109.83 2ds4 s PHE 105 Ca 0.67 -0.96 -0.13 0.00 -0.05 0.00 0.00 56.93 56.46 2ds4 s PHE 105 Cb -0.07 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.01 2ds4 s PHE 105 CO 0.52 -0.57 0.31 0.99 -0.05 0.00 0.00 175.22 176.42 2ds4 s THR 106 N -3.98 5.22 0.06 -4.49 2.01 -1.26 -2.30 115.64 110.89 2ds4 s THR 106 Ca 0.17 0.61 0.09 0.00 0.31 0.00 0.00 61.69 62.87 2ds4 s THR 106 Cb 0.06 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2ds4 s THR 106 CO -0.02 0.54 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.51 2ds4 s VAL 107 N -0.67 2.03 -0.35 3.82 1.01 0.40 -4.69 120.40 121.95 2ds4 s VAL 107 Ca 0.20 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 2ds4 s VAL 107 Cb -0.15 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.56 2ds4 s VAL 107 CO 0.09 0.28 0.10 -0.89 0.00 0.00 0.00 175.10 174.68 2ds4 s THR 108 N -0.84 3.30 -0.09 3.92 2.01 -1.11 -0.16 115.64 122.66 2ds4 s THR 108 Ca 0.11 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.32 2ds4 s THR 108 Cb -0.10 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2ds4 s THR 108 CO 0.03 -0.35 0.61 -0.69 -0.69 0.00 0.00 174.62 173.53 2ds4 s VAL 109 N 1.25 5.10 0.82 3.82 1.01 0.88 -2.00 120.40 131.27 2ds4 s VAL 109 Ca 0.01 1.25 -0.08 0.00 0.00 0.00 0.00 61.98 63.15 2ds4 s VAL 109 Cb -0.21 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.37 2ds4 s VAL 109 CO -0.01 0.27 1.14 -0.13 0.00 0.00 0.00 175.10 176.36 2ds4 s ARG 110 N 0.80 1.28 -0.22 2.72 0.52 -0.37 -1.76 118.95 121.91 2ds4 s ARG 110 Ca 0.33 -0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 2ds4 s ARG 110 Cb -0.17 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 2ds4 s ARG 110 CO 0.15 -1.85 0.10 -0.98 0.02 0.00 0.00 175.30 172.74 2ds4 s ARG 111 N -5.47 3.95 0.26 3.54 1.70 -1.26 -1.82 118.95 119.85 2ds4 s ARG 111 Ca 0.69 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 55.31 2ds4 s ARG 111 Cb -0.05 -3.36 -0.10 0.00 -0.57 0.00 0.00 34.95 30.86 2ds4 s ARG 111 CO 0.48 0.10 1.49 0.21 -1.08 0.00 0.00 175.30 176.50 2ds4 s LYS 112 N 0.87 4.23 0.00 3.89 2.36 -1.26 -4.87 119.74 124.95 2ds4 s LYS 112 Ca 0.05 2.38 0.00 0.00 -2.55 0.00 0.00 55.97 55.85 2ds4 s LYS 112 Cb -0.13 -3.09 0.00 0.00 -1.05 0.00 0.00 37.83 33.56 2ds4 s LYS 112 CO 0.03 -0.48 0.22 1.58 1.55 0.00 0.00 175.35 178.24