#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 h SER 2 N 0.00 0.60 -3.75 1.61 0.02 -2.08 -3.43 113.55 106.51 2ds4 h SER 2 Ca 0.00 -0.35 -0.48 0.00 -0.84 0.00 0.00 61.79 60.12 2ds4 h SER 2 Cb 0.00 -0.16 -0.32 0.00 0.14 0.00 0.00 62.40 62.06 2ds4 h SER 2 CO 0.00 0.81 -0.80 -0.44 -1.14 0.00 0.00 176.83 175.26 2ds4 s SER 3 N -6.18 1.54 0.00 3.07 0.01 -1.26 -5.13 113.70 105.75 2ds4 s SER 3 Ca -0.13 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2ds4 s SER 3 Cb 0.09 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2ds4 s SER 3 CO 0.78 0.08 0.00 0.61 0.41 0.00 0.00 173.24 175.12 2ds4 n GLY 4 N 3.38 2.79 3.57 3.44 0.00 -1.26 -4.93 105.19 112.18 2ds4 n GLY 4 Ca -0.19 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 2ds4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ds4 n SER 5 N 0.00 -5.57 -0.35 1.61 7.64 -1.26 -4.89 113.62 110.80 2ds4 n SER 5 Ca 0.00 -0.56 -0.00 0.00 1.01 0.00 0.00 58.87 59.32 2ds4 n SER 5 Cb 0.00 -5.03 0.13 0.00 -1.01 0.00 0.00 64.21 58.30 2ds4 n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ds4 h SER 6 N -2.56 1.02 0.00 6.43 0.02 -1.95 -3.43 113.55 113.08 2ds4 h SER 6 Ca -0.57 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2ds4 h SER 6 Cb 1.36 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2ds4 h SER 6 CO 0.55 0.69 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 2ds4 n GLY 7 N -1.36 0.96 3.35 -3.77 0.00 -1.26 -5.16 105.19 97.96 2ds4 n GLY 7 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 2.26 1.67 0.35 1.61 -1.05 -1.26 -5.01 118.70 117.27 2ds4 s GLU 8 Ca 0.00 -1.81 -0.27 0.00 -0.15 0.00 0.00 54.97 52.74 2ds4 s GLU 8 Cb 0.00 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 2ds4 s GLU 8 CO 0.00 -0.64 1.12 0.54 0.95 0.00 0.00 175.26 177.24 2ds4 s VAL 9 N -3.52 3.39 -0.01 1.83 0.11 -1.26 -1.27 120.40 119.66 2ds4 s VAL 9 Ca 0.36 1.24 0.02 0.00 -2.93 0.00 0.00 61.98 60.67 2ds4 s VAL 9 Cb 0.02 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 2ds4 s VAL 9 CO 0.21 0.18 -0.05 -0.62 -3.33 0.00 0.00 175.10 171.49 2ds4 s ASP 10 N -1.10 0.74 0.04 3.54 2.15 -1.01 -4.76 116.67 116.27 2ds4 s ASP 10 Ca 0.52 -0.11 -0.20 0.00 0.43 0.00 0.00 52.55 53.19 2ds4 s ASP 10 Cb -0.30 -0.16 -0.14 0.00 -0.30 0.00 0.00 42.92 42.02 2ds4 s ASP 10 CO 0.38 0.04 1.35 1.55 -0.17 0.00 0.00 175.17 178.31 2ds4 h PRO 11 N 6.31 0.37 -0.30 4.34 0.13 -1.88 -2.25 132.00 138.72 2ds4 h PRO 11 Ca -0.31 -0.20 0.09 0.00 -0.87 0.00 0.00 66.00 64.70 2ds4 h PRO 11 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2ds4 h PRO 11 CO 0.49 0.76 0.42 0.00 -0.23 0.00 0.00 178.00 179.44 2ds4 h ALA 12 N 0.61 1.92 0.00 -0.56 0.00 -1.90 0.17 119.26 119.50 2ds4 h ALA 12 Ca 0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 2ds4 h ALA 12 Cb 0.69 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2ds4 h ALA 12 CO 0.04 -0.58 -1.90 1.63 0.00 0.00 0.00 179.25 178.44 2ds4 n LYS 13 N -3.50 0.65 -0.61 0.00 4.76 -1.14 -4.47 118.16 113.84 2ds4 n LYS 13 Ca 0.05 0.21 -0.30 0.00 -2.87 0.00 0.00 58.31 55.39 2ds4 n LYS 13 Cb 0.56 -1.72 0.20 0.00 -1.84 0.00 0.00 35.03 32.24 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 -2.43 0.00 0.05 0.00 -7.23 -1.22 -4.03 120.40 105.53 2ds4 s VAL 15 Ca 0.64 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 2ds4 s VAL 15 Cb -0.22 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2ds4 s VAL 15 CO 0.64 0.00 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.54 2ds4 s LEU 16 N -3.23 2.21 0.30 1.32 1.43 -1.26 -2.64 118.68 116.82 2ds4 s LEU 16 Ca 0.30 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2ds4 s LEU 16 Cb -0.00 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 2ds4 s LEU 16 CO 0.20 -0.05 0.27 -1.10 0.23 0.00 0.00 176.35 175.90 2ds4 s GLN 17 N -1.37 2.84 0.00 1.70 -0.21 0.49 -4.97 119.66 118.14 2ds4 s GLN 17 Ca -0.02 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.19 2ds4 s GLN 17 Cb -0.09 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.38 2ds4 s GLN 17 CO 0.01 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.81 2ds4 n GLY 18 N -1.32 1.89 0.30 3.09 0.00 -1.26 -4.00 105.19 103.89 2ds4 n GLY 18 Ca -0.04 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.30 -2.68 1.61 4.57 -1.98 -2.52 114.58 113.90 2ds4 h GLU 19 Ca 0.00 -0.02 -0.75 0.00 -1.18 0.00 0.00 59.36 57.42 2ds4 h GLU 19 Cb 0.00 -0.07 -0.32 0.00 -0.16 0.00 0.00 28.75 28.20 2ds4 h GLU 19 CO 0.00 0.20 0.37 -0.40 -1.18 0.00 0.00 179.01 178.00 2ds4 n ASP 20 N -5.13 5.65 -0.08 1.04 5.68 -1.26 -4.76 116.55 117.69 2ds4 n ASP 20 Ca 0.20 -3.44 -0.22 0.00 -0.50 0.00 0.00 54.79 50.84 2ds4 n ASP 20 Cb 0.63 -1.08 -0.12 0.00 -1.14 0.00 0.00 41.12 39.41 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2ds4 h LEU 21 N 5.00 0.07 -0.23 -2.12 3.38 -1.80 -3.35 115.31 116.27 2ds4 h LEU 21 Ca 0.21 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2ds4 h LEU 21 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2ds4 h LEU 21 CO 1.18 1.54 0.00 1.41 0.09 0.00 0.00 178.44 182.66 2ds4 n HIS 22 N -4.29 0.22 -4.14 1.13 8.25 -1.26 -4.60 115.22 110.53 2ds4 n HIS 22 Ca -0.31 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 56.90 2ds4 n HIS 22 Cb 0.74 -0.65 -0.10 0.00 1.12 0.00 0.00 29.99 31.09 2ds4 n HIS 22 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2ds4 s ARG 23 N -3.10 3.84 0.19 -0.41 3.00 -1.26 0.11 118.95 121.32 2ds4 s ARG 23 Ca 0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 55.73 55.28 2ds4 s ARG 23 Cb 0.08 -3.10 -0.00 0.00 0.00 0.00 0.00 34.95 31.93 2ds4 s ARG 23 CO 0.26 0.29 0.36 0.00 0.00 0.00 0.00 175.30 176.21 2ds4 s ALA 24 N 0.28 -0.17 -0.00 2.13 0.00 0.72 -4.91 121.76 119.82 2ds4 s ALA 24 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2ds4 s ALA 24 Cb -0.13 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2ds4 s ALA 24 CO 0.01 -0.72 -0.12 0.50 0.00 0.00 0.00 175.76 175.43 2ds4 s ARG 25 N -3.97 0.96 0.14 0.00 6.06 -1.26 -1.44 118.95 119.45 2ds4 s ARG 25 Ca 0.18 -0.46 -0.33 0.00 -2.50 0.00 0.00 55.73 52.61 2ds4 s ARG 25 Cb 0.02 -0.93 -0.17 0.00 0.06 0.00 0.00 34.95 33.93 2ds4 s ARG 25 CO 0.02 0.25 1.04 -1.91 -2.50 0.00 0.00 175.30 172.20 2ds4 n GLU 26 N 2.70 0.74 -3.83 5.12 2.13 -0.31 -0.82 120.64 126.38 2ds4 n GLU 26 Ca -0.14 0.26 -0.27 0.00 0.66 0.00 0.00 57.16 57.67 2ds4 n GLU 26 Cb 0.56 -1.68 0.03 0.00 0.27 0.00 0.00 31.44 30.62 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ds4 n LYS 27 N 1.57 -5.42 -4.85 5.31 5.02 0.05 -4.64 118.16 115.19 2ds4 n LYS 27 Ca 0.16 0.62 -0.31 0.00 -2.02 0.00 0.00 58.31 56.76 2ds4 n LYS 27 Cb 0.21 -5.39 -0.13 0.00 -0.02 0.00 0.00 35.03 29.70 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 -6.38 2.16 -0.57 1.97 2.00 0.00 -4.95 119.66 113.88 2ds4 s GLN 28 Ca 0.42 -0.91 -0.22 0.00 -2.00 0.00 0.00 55.36 52.65 2ds4 s GLN 28 Cb -0.21 -2.19 0.06 0.00 0.80 0.00 0.00 33.01 31.47 2ds4 s GLN 28 CO 0.82 0.56 0.84 0.99 -0.50 0.00 0.00 175.29 178.00 2ds4 s THR 29 N -0.81 4.54 -0.26 -0.34 2.01 -1.26 -4.00 115.64 115.52 2ds4 s THR 29 Ca 0.13 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 2ds4 s THR 29 Cb -0.10 -4.51 -0.02 0.00 0.01 0.00 0.00 72.50 67.88 2ds4 s THR 29 CO 0.03 -1.12 0.08 0.00 -0.69 0.00 0.00 174.62 172.92 2ds4 s ALA 30 N 3.50 3.17 0.01 7.40 0.00 -0.87 -4.98 121.76 130.00 2ds4 s ALA 30 Ca 0.22 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2ds4 s ALA 30 Cb -0.17 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 2ds4 s ALA 30 CO 0.14 -0.58 -0.23 -1.54 0.00 0.00 0.00 175.76 173.55 2ds4 s SER 31 N 1.61 2.68 0.19 0.00 1.04 -1.26 -2.18 113.70 115.78 2ds4 s SER 31 Ca 0.06 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 2ds4 s SER 31 Cb -0.16 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2ds4 s SER 31 CO 0.04 0.24 0.12 0.72 0.98 0.00 0.00 173.24 175.34 2ds4 s PHE 32 N -0.65 1.14 -0.11 5.02 -0.71 -1.01 -4.90 117.98 116.77 2ds4 s PHE 32 Ca 0.09 -1.35 -0.00 0.00 -1.04 0.00 0.00 56.93 54.62 2ds4 s PHE 32 Cb -0.09 -0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 41.13 2ds4 s PHE 32 CO 0.00 -0.61 -0.10 0.99 -1.34 0.00 0.00 175.22 174.16 2ds4 s THR 33 N -4.13 3.40 -0.37 -4.49 2.01 -1.26 -3.01 115.64 107.79 2ds4 s THR 33 Ca 0.37 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 2ds4 s THR 33 Cb 0.07 -2.41 0.06 0.00 0.01 0.00 0.00 72.50 70.22 2ds4 s THR 33 CO 0.11 0.55 0.17 -0.22 -0.69 0.00 0.00 174.62 174.53 2ds4 s LEU 34 N -0.13 4.69 0.43 4.42 2.96 -1.16 -0.38 118.68 129.51 2ds4 s LEU 34 Ca 0.00 -1.33 -0.21 0.00 -0.22 0.00 0.00 54.13 52.37 2ds4 s LEU 34 Cb -0.13 -1.91 -0.11 0.00 0.50 0.00 0.00 46.19 44.54 2ds4 s LEU 34 CO 0.03 -0.42 0.95 -0.76 -1.32 0.00 0.00 176.35 174.83 2ds4 s LEU 35 N 1.39 3.95 -0.24 -0.68 1.43 -1.08 -2.77 118.68 120.69 2ds4 s LEU 35 Ca 0.01 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2ds4 s LEU 35 Cb -0.21 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.54 2ds4 s LEU 35 CO 0.02 -0.35 -0.10 0.00 0.23 0.00 0.00 176.35 176.15 2ds4 s LYS 37 N 1.24 2.41 0.88 0.00 3.01 -1.26 -3.85 119.74 122.17 2ds4 s LYS 37 Ca -0.06 -1.58 -0.13 0.00 -1.01 0.00 0.00 55.97 53.20 2ds4 s LYS 37 Cb -0.18 -2.21 0.15 0.00 -1.01 0.00 0.00 37.83 34.58 2ds4 s LYS 37 CO -0.07 0.01 1.23 -0.51 0.51 0.00 0.00 175.35 176.52 2ds4 s ASP 38 N -3.92 3.74 0.64 2.83 1.01 0.63 -2.42 116.67 119.17 2ds4 s ASP 38 Ca 0.41 0.36 0.36 0.00 0.71 0.00 0.00 52.55 54.39 2ds4 s ASP 38 Cb -0.02 -0.60 2.04 0.00 1.01 0.00 0.00 42.92 45.36 2ds4 s ASP 38 CO 0.24 -2.34 2.23 0.00 0.21 0.00 0.00 175.17 175.51 2ds4 h ALA 39 N -1.30 1.32 0.00 5.23 0.00 -1.48 0.17 119.26 123.20 2ds4 h ALA 39 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ds4 h ALA 39 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ds4 h ALA 39 CO 0.47 -0.11 -0.43 0.00 0.00 0.00 0.00 179.25 179.19 2ds4 h ALA 40 N 1.86 0.77 0.00 0.00 0.00 -1.91 -3.48 119.26 116.50 2ds4 h ALA 40 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ds4 h ALA 40 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 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 1.16 1.36 3.50 0.00 0.00 0.61 -5.10 105.19 106.72 2ds4 n GLY 41 Ca 0.03 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.83 1.79 0.44 1.61 -1.05 -1.26 -4.81 118.70 114.59 2ds4 s GLU 42 Ca 0.00 -1.61 -0.25 0.00 -0.15 0.00 0.00 54.97 52.97 2ds4 s GLU 42 Cb 0.00 -1.89 -0.09 0.00 -0.44 0.00 0.00 34.13 31.71 2ds4 s GLU 42 CO 0.00 0.36 1.24 -0.89 0.95 0.00 0.00 175.26 176.92 2ds4 n ILE 43 N -0.41 2.71 -0.04 1.83 2.08 -1.26 -0.27 119.36 124.00 2ds4 n ILE 43 Ca -0.07 -0.50 -0.05 0.00 0.56 0.00 0.00 62.75 62.69 2ds4 n ILE 43 Cb 0.58 -1.52 -0.06 0.00 -0.75 0.00 0.00 39.64 37.89 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 -0.09 2.08 -3.01 0.38 0.00 -1.25 -4.32 117.12 110.90 2ds4 n MET 44 Ca 0.07 0.01 -0.14 0.00 0.00 0.00 0.00 57.70 57.65 2ds4 n MET 44 Cb 0.40 -1.21 0.04 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 2.61 0.03 3.65 3.17 0.00 -1.26 -4.71 105.19 108.67 2ds4 n GLY 45 Ca -0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.61 1.56 0.00 1.61 1.70 -1.26 -4.79 118.95 112.16 2ds4 s ARG 46 Ca 0.30 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 2ds4 s ARG 46 Cb -0.13 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2ds4 s ARG 46 CO 0.37 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 2ds4 n GLY 47 N -0.39 1.82 3.22 3.88 0.00 -1.22 -3.85 105.19 108.65 2ds4 n GLY 47 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 2.95 -0.02 0.00 -1.26 -5.02 105.19 106.54 2ds4 n GLY 48 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.72 1.84 -0.71 1.61 1.01 -1.26 -5.09 116.67 110.35 2ds4 s ASP 49 Ca 0.26 -0.27 -0.26 0.00 0.71 0.00 0.00 52.55 52.99 2ds4 s ASP 49 Cb -0.12 -0.78 0.00 0.00 1.01 0.00 0.00 42.92 43.04 2ds4 s ASP 49 CO 0.63 -0.05 1.60 0.54 0.21 0.00 0.00 175.17 178.11 2ds4 s ASN 50 N 1.16 5.71 0.03 0.27 2.20 -1.26 -4.98 114.94 118.07 2ds4 s ASN 50 Ca -0.06 -0.19 -0.17 0.00 -0.94 0.00 0.00 52.86 51.51 2ds4 s ASN 50 Cb -0.14 -2.55 -0.06 0.00 -2.00 0.00 0.00 41.25 36.50 2ds4 s ASN 50 CO -0.02 -2.13 0.49 -0.69 -2.94 0.00 0.00 177.10 171.82 2ds4 s VAL 51 N 7.52 4.89 -0.13 3.54 1.01 -1.26 -2.57 120.40 133.39 2ds4 s VAL 51 Ca 0.53 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2ds4 s VAL 51 Cb -0.09 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2ds4 s VAL 51 CO 0.15 0.55 -0.19 -1.58 0.00 0.00 0.00 175.10 174.03 2ds4 s GLN 52 N -0.99 3.15 -0.12 2.72 0.74 -0.25 -5.01 119.66 119.90 2ds4 s GLN 52 Ca 0.27 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 2ds4 s GLN 52 Cb -0.18 -2.49 0.03 0.00 1.10 0.00 0.00 33.01 31.47 2ds4 s GLN 52 CO 0.16 0.09 -0.04 0.08 -0.55 0.00 0.00 175.29 175.02 2ds4 s VAL 53 N 0.60 0.85 -0.15 1.34 1.01 -1.25 -2.55 120.40 120.25 2ds4 s VAL 53 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2ds4 s VAL 53 Cb -0.16 -0.97 0.06 0.00 0.00 0.00 0.00 36.38 35.31 2ds4 s VAL 53 CO 0.03 0.25 0.12 0.00 0.00 0.00 0.00 175.10 175.51 2ds4 s ALA 54 N 1.77 0.17 -0.23 5.51 0.00 -0.85 -4.99 121.76 123.13 2ds4 s ALA 54 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 2ds4 s ALA 54 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2ds4 s ALA 54 CO -0.07 -1.00 0.36 0.08 0.00 0.00 0.00 175.76 175.13 2ds4 s VAL 55 N 2.20 5.21 -0.05 0.00 1.01 -1.26 -1.83 120.40 125.69 2ds4 s VAL 55 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2ds4 s VAL 55 Cb -0.15 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.56 2ds4 s VAL 55 CO -0.08 0.23 -0.01 -0.69 0.00 0.00 0.00 175.10 174.54 2ds4 s VAL 56 N 1.55 0.34 0.02 2.92 1.01 -1.15 -3.48 120.40 121.61 2ds4 s VAL 56 Ca 0.16 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2ds4 s VAL 56 Cb -0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.74 2ds4 s VAL 56 CO 0.08 0.20 1.43 -2.16 0.00 0.00 0.00 175.10 174.66 2ds4 s PRO 57 N 1.26 4.27 0.67 2.72 0.04 -1.26 -1.11 135.00 141.59 2ds4 s PRO 57 Ca -0.06 2.02 0.36 0.00 0.04 0.00 0.00 61.00 63.35 2ds4 s PRO 57 Cb -0.13 -3.56 1.94 0.00 0.04 0.00 0.00 34.50 32.78 2ds4 s PRO 57 CO -0.02 -0.59 2.10 -0.22 0.04 0.00 0.00 177.00 178.31 2ds4 h LYS 58 N 7.84 0.00 0.16 4.56 3.64 -1.61 -2.70 116.57 128.46 2ds4 h LYS 58 Ca -0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2ds4 h LYS 58 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2ds4 h LYS 58 CO 0.90 0.00 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.57 2ds4 h ASP 59 N 0.00 -0.18 -3.02 4.20 5.19 -1.90 -3.45 116.42 117.25 2ds4 h ASP 59 Ca 0.00 0.01 -0.64 0.00 -0.62 0.00 0.00 57.03 55.78 2ds4 h ASP 59 Cb 0.42 0.05 -0.11 0.00 0.18 0.00 0.00 39.33 39.86 2ds4 h ASP 59 CO -0.00 0.08 -0.52 -0.54 -3.12 0.00 0.00 179.24 175.15 2ds4 s LYS 60 N -2.24 3.70 -0.00 3.56 -0.14 -1.02 -5.00 119.74 118.60 2ds4 s LYS 60 Ca -0.03 -0.23 0.02 0.00 -1.36 0.00 0.00 55.97 54.37 2ds4 s LYS 60 Cb 0.00 -3.21 -0.25 0.00 -1.68 0.00 0.00 37.83 32.69 2ds4 s LYS 60 CO 0.09 0.54 0.82 1.57 -0.76 0.00 0.00 175.35 177.61 2ds4 h LYS 61 N 5.81 0.15 0.00 1.68 2.10 -1.88 -3.36 116.57 121.07 2ds4 h LYS 61 Ca -0.47 -0.26 -0.00 0.00 -2.00 0.00 0.00 60.65 57.92 2ds4 h LYS 61 Cb 1.19 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2ds4 h LYS 61 CO 0.65 0.95 -0.00 -0.44 -2.00 0.00 0.00 179.45 178.61 2ds4 h ASP 62 N 0.04 -0.00 0.00 7.07 3.32 -1.94 -3.44 116.42 121.47 2ds4 h ASP 62 Ca -0.24 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.55 2ds4 h ASP 62 Cb 1.98 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.47 2ds4 h ASP 62 CO 0.13 0.04 1.12 -1.20 -1.72 0.00 0.00 179.24 177.61 2ds4 n SER 63 N -2.22 -0.31 -3.44 6.45 7.64 -1.26 -4.84 113.62 115.64 2ds4 n SER 63 Ca -0.00 -0.09 -0.27 0.00 1.01 0.00 0.00 58.87 59.52 2ds4 n SER 63 Cb 0.00 -0.44 0.23 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.94 -3.68 1.43 -0.04 -1.26 -4.54 135.00 128.22 2ds4 n PRO 64 Ca 0.40 -1.57 -0.23 0.00 -0.04 0.00 0.00 63.50 62.06 2ds4 n PRO 64 Cb 0.05 -1.47 -0.18 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.78 0.03 0.13 0.52 1.01 -1.23 -4.95 120.40 113.14 2ds4 s VAL 65 Ca 0.64 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 2ds4 s VAL 65 Cb -0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 36.38 35.82 2ds4 s VAL 65 CO 0.49 0.05 1.83 -2.11 0.00 0.00 0.00 175.10 175.37 2ds4 n ARG 66 N 5.25 2.82 -4.23 2.72 1.85 -1.26 -4.58 116.66 119.22 2ds4 n ARG 66 Ca -0.05 1.02 -0.14 0.00 -1.00 0.00 0.00 57.85 57.68 2ds4 n ARG 66 Cb 0.50 -2.92 -0.10 0.00 -1.05 0.00 0.00 32.46 28.89 2ds4 n ARG 66 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2ds4 s THR 67 N 2.60 1.09 -0.01 8.89 -4.23 -1.26 -3.47 115.64 119.25 2ds4 s THR 67 Ca 0.81 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2ds4 s THR 67 Cb -0.48 -1.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 2ds4 s THR 67 CO 0.37 -0.71 -0.06 -0.32 -0.54 0.00 0.00 174.62 173.35 2ds4 s MET 68 N -3.52 0.55 -0.23 3.99 1.75 0.12 -5.00 119.30 116.95 2ds4 s MET 68 Ca 0.14 -0.22 -0.03 0.00 -1.25 0.00 0.00 55.69 54.33 2ds4 s MET 68 Cb 0.01 -0.54 0.07 0.00 2.84 0.00 0.00 34.83 37.22 2ds4 s MET 68 CO 0.00 0.12 0.07 0.54 -0.65 0.00 0.00 175.02 175.10 2ds4 s VAL 69 N -0.05 0.36 -0.70 10.11 0.11 -1.26 -0.95 120.40 128.01 2ds4 s VAL 69 Ca 0.01 -0.66 -0.21 0.00 -2.93 0.00 0.00 61.98 58.20 2ds4 s VAL 69 Cb -0.04 -1.04 0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2ds4 s VAL 69 CO -0.00 -0.39 0.95 -1.58 -3.33 0.00 0.00 175.10 170.74 2ds4 s GLN 70 N 1.91 3.20 -0.15 1.54 0.74 -0.53 -5.00 119.66 121.37 2ds4 s GLN 70 Ca 0.03 -1.13 -0.29 0.00 0.05 0.00 0.00 55.36 54.02 2ds4 s GLN 70 Cb -0.17 -4.38 -0.05 0.00 1.10 0.00 0.00 33.01 29.52 2ds4 s GLN 70 CO -0.16 -1.75 1.80 -0.51 -0.55 0.00 0.00 175.29 174.12 2ds4 s ASP 71 N 3.66 6.25 -0.01 6.67 1.01 -1.26 -3.53 116.67 129.45 2ds4 s ASP 71 Ca 0.22 1.94 0.09 0.00 0.71 0.00 0.00 52.55 55.50 2ds4 s ASP 71 Cb -0.16 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.12 2ds4 s ASP 71 CO 0.05 -1.31 0.20 0.59 0.21 0.00 0.00 175.17 174.91 2ds4 n ASN 72 N 8.73 2.78 -2.80 0.27 3.02 -1.26 -4.98 115.26 121.01 2ds4 n ASN 72 Ca 0.21 -0.07 -0.06 0.00 -0.03 0.00 0.00 54.58 54.62 2ds4 n ASN 72 Cb 0.44 1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 40.95 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 -1.73 -2.66 -1.16 3.52 4.01 -1.26 -4.74 118.16 114.14 2ds4 n LYS 73 Ca -0.01 0.03 -0.14 0.00 -0.51 0.00 0.00 58.31 57.67 2ds4 n LYS 73 Cb 0.21 -4.54 0.15 0.00 -0.51 0.00 0.00 35.03 30.34 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ds4 n ASP 74 N -1.65 3.79 0.00 4.39 2.03 -1.26 -3.41 116.55 120.44 2ds4 n ASP 74 Ca 0.02 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.55 2ds4 n ASP 74 Cb 0.49 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.02 2.95 3.10 0.27 0.00 -1.25 -4.84 105.19 104.40 2ds4 n GLY 75 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.61 0.49 0.27 2.61 -4.23 -1.26 -3.31 115.64 107.60 2ds4 s THR 76 Ca 0.00 -1.52 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 2ds4 s THR 76 Cb 0.00 -1.14 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 2ds4 s THR 76 CO 0.00 -0.70 -0.17 -0.31 -0.54 0.00 0.00 174.62 172.90 2ds4 s TYR 77 N -2.71 2.36 -0.28 3.99 1.51 -1.11 -4.29 117.35 116.82 2ds4 s TYR 77 Ca 0.01 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2ds4 s TYR 77 Cb -0.01 -1.03 0.07 0.00 -0.11 0.00 0.00 41.96 40.88 2ds4 s TYR 77 CO -0.04 0.69 -0.06 -0.47 -1.11 0.00 0.00 175.55 174.56 2ds4 s TYR 78 N -2.42 3.37 -0.09 2.71 5.04 -1.23 -3.00 117.35 121.73 2ds4 s TYR 78 Ca 0.30 -2.43 -0.01 0.00 -2.44 0.00 0.00 57.07 52.48 2ds4 s TYR 78 Cb -0.05 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.06 2ds4 s TYR 78 CO 0.15 -0.89 -0.03 0.42 -1.34 0.00 0.00 175.55 173.87 2ds4 s ILE 79 N 1.07 4.07 -0.01 3.14 1.01 -1.16 -1.45 121.20 127.86 2ds4 s ILE 79 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2ds4 s ILE 79 Cb -0.20 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.58 2ds4 s ILE 79 CO -0.05 0.59 -0.00 -0.44 0.00 0.00 0.00 174.94 175.03 2ds4 s SER 80 N -0.68 0.21 -0.07 3.58 0.01 -0.13 -2.39 113.70 114.23 2ds4 s SER 80 Ca 0.11 -0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.27 2ds4 s SER 80 Cb -0.12 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.06 2ds4 s SER 80 CO 0.02 -0.03 0.23 -0.72 0.41 0.00 0.00 173.24 173.14 2ds4 s TYR 81 N 0.39 -0.21 -0.19 2.43 -0.85 -0.93 0.13 117.35 118.12 2ds4 s TYR 81 Ca -0.03 0.50 -0.01 0.00 -0.52 0.00 0.00 57.07 57.00 2ds4 s TYR 81 Cb -0.06 0.07 0.06 0.00 0.38 0.00 0.00 41.96 42.41 2ds4 s TYR 81 CO -0.01 -0.16 -0.01 0.99 -1.52 0.00 0.00 175.55 174.84 2ds4 s THR 82 N -0.17 0.89 0.73 -3.49 2.01 -1.23 -2.04 115.64 112.33 2ds4 s THR 82 Ca -0.03 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 2ds4 s THR 82 Cb -0.03 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 71.26 2ds4 s THR 82 CO 0.01 -0.10 1.10 -2.16 -0.69 0.00 0.00 174.62 172.78 2ds4 s PRO 83 N 1.70 2.47 -0.16 4.92 0.04 -1.26 -4.57 135.00 138.15 2ds4 s PRO 83 Ca -0.02 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 2ds4 s PRO 83 Cb -0.17 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2ds4 s PRO 83 CO -0.07 -1.49 -0.15 1.63 0.04 0.00 0.00 177.00 176.95 2ds4 n LYS 84 N -3.07 0.38 -4.41 4.56 4.01 -1.26 -0.77 118.16 117.59 2ds4 n LYS 84 Ca 0.10 0.10 -0.30 0.00 -0.51 0.00 0.00 58.31 57.70 2ds4 n LYS 84 Cb 0.53 -1.26 -0.12 0.00 -0.51 0.00 0.00 35.03 33.66 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2ds4 s GLU 85 N -2.31 1.89 0.68 1.97 0.41 -1.26 -4.43 118.70 115.65 2ds4 s GLU 85 Ca -0.21 -1.11 -0.14 0.00 -0.41 0.00 0.00 54.97 53.09 2ds4 s GLU 85 Cb 0.06 -2.15 0.01 0.00 -1.78 0.00 0.00 34.13 30.27 2ds4 s GLU 85 CO 0.34 0.50 1.11 -1.25 -0.49 0.00 0.00 175.26 175.47 2ds4 s PRO 86 N -1.92 2.71 0.00 0.39 0.04 -1.26 -4.88 135.00 130.08 2ds4 s PRO 86 Ca 0.17 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2ds4 s PRO 86 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2ds4 s PRO 86 CO 0.09 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2ds4 n GLY 87 N -0.64 0.97 3.70 0.56 0.00 0.11 -4.95 105.19 104.94 2ds4 n GLY 87 Ca 0.10 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.06 4.99 0.32 1.61 0.11 -1.26 -0.44 120.40 124.67 2ds4 s VAL 88 Ca 0.00 1.54 0.09 0.00 -2.93 0.00 0.00 61.98 60.68 2ds4 s VAL 88 Cb 0.00 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 2ds4 s VAL 88 CO 0.00 0.18 0.09 -0.31 -3.33 0.00 0.00 175.10 171.73 2ds4 s TYR 89 N 1.21 2.68 -0.32 1.54 1.51 0.67 -1.58 117.35 123.07 2ds4 s TYR 89 Ca 0.39 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 2ds4 s TYR 89 Cb -0.18 -1.51 0.09 0.00 -0.11 0.00 0.00 41.96 40.26 2ds4 s TYR 89 CO 0.17 0.43 0.04 0.99 -1.11 0.00 0.00 175.55 176.08 2ds4 s THR 90 N -2.41 1.87 -0.52 -0.71 2.01 -0.27 -0.82 115.64 114.79 2ds4 s THR 90 Ca 0.36 -1.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.08 2ds4 s THR 90 Cb -0.03 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.16 2ds4 s THR 90 CO 0.21 -0.55 1.22 -0.69 -0.69 0.00 0.00 174.62 174.13 2ds4 s VAL 91 N 1.12 4.05 -0.33 3.82 1.01 -0.73 -2.92 120.40 126.43 2ds4 s VAL 91 Ca 0.08 1.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 2ds4 s VAL 91 Cb -0.19 -4.60 -0.00 0.00 0.00 0.00 0.00 36.38 31.60 2ds4 s VAL 91 CO -0.12 -1.14 0.67 0.26 0.00 0.00 0.00 175.10 174.77 2ds4 s TRP 92 N 4.94 3.18 -0.26 5.22 0.52 -0.76 -2.94 118.94 128.85 2ds4 s TRP 92 Ca 0.48 0.54 -0.01 0.00 0.02 0.00 0.00 56.10 57.13 2ds4 s TRP 92 Cb -0.08 -3.11 0.08 0.00 -1.15 0.00 0.00 33.47 29.21 2ds4 s TRP 92 CO 0.29 -0.56 0.04 0.08 0.02 0.00 0.00 176.95 176.82 2ds4 s VAL 93 N 2.74 0.95 0.02 4.03 1.01 -1.26 -2.00 120.40 125.90 2ds4 s VAL 93 Ca 0.27 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2ds4 s VAL 93 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2ds4 s VAL 93 CO 0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 175.10 174.72 2ds4 s ILE 95 N -0.72 2.26 -1.29 0.00 1.01 0.19 -1.09 121.20 121.57 2ds4 s ILE 95 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 2ds4 s ILE 95 Cb -0.07 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.48 2ds4 s ILE 95 CO 0.01 0.53 1.06 0.29 0.00 0.00 0.00 174.94 176.83 2ds4 n LYS 96 N 4.21 -7.06 -3.47 2.79 5.02 -1.06 -2.22 118.16 116.37 2ds4 n LYS 96 Ca -0.20 0.82 -0.21 0.00 -2.02 0.00 0.00 58.31 56.70 2ds4 n LYS 96 Cb 0.51 -5.82 0.07 0.00 -0.02 0.00 0.00 35.03 29.77 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 -4.54 -7.07 -3.71 1.97 1.02 -1.26 -5.01 120.64 102.04 2ds4 n GLU 97 Ca -0.15 0.74 -0.12 0.00 -0.02 0.00 0.00 57.16 57.61 2ds4 n GLU 97 Cb 0.62 -5.52 -0.12 0.00 -0.02 0.00 0.00 31.44 26.39 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 -6.12 0.25 -0.06 3.49 -0.21 -0.94 -5.13 119.66 110.94 2ds4 s GLN 98 Ca 0.50 0.62 -0.30 0.00 0.02 0.00 0.00 55.36 56.20 2ds4 s GLN 98 Cb -0.22 -0.08 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 2ds4 s GLN 98 CO 0.65 -0.17 1.15 -3.38 -2.12 0.00 0.00 175.29 171.42 2ds4 s HIS 99 N 1.41 3.29 0.95 0.91 -3.43 -1.26 0.56 115.29 117.72 2ds4 s HIS 99 Ca -0.09 1.32 -0.14 0.00 -0.80 0.00 0.00 55.06 55.35 2ds4 s HIS 99 Cb -0.10 -3.36 0.21 0.00 -1.43 0.00 0.00 32.58 27.90 2ds4 s HIS 99 CO -0.10 -1.04 1.30 0.14 -2.00 0.00 0.00 174.74 173.04 2ds4 s VAL 100 N 2.05 2.00 0.89 -5.38 -7.23 -1.17 -4.44 120.40 107.12 2ds4 s VAL 100 Ca 0.54 -0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.50 2ds4 s VAL 100 Cb -0.24 -2.90 0.11 0.00 0.56 0.00 0.00 36.38 33.91 2ds4 s VAL 100 CO 0.22 0.00 1.03 1.67 -0.31 0.00 0.00 175.10 177.71 2ds4 n GLN 101 N -3.71 -0.27 -4.02 4.82 7.27 -1.18 -3.02 117.38 117.26 2ds4 n GLN 101 Ca 0.17 -0.01 -0.27 0.00 0.07 0.00 0.00 57.00 56.96 2ds4 n GLN 101 Cb 0.59 -2.29 -0.08 0.00 2.41 0.00 0.00 30.24 30.87 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 0.57 -0.12 3.64 1.69 0.00 -1.26 -4.84 105.19 104.87 2ds4 n GLY 102 Ca 0.11 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.07 -0.67 1.05 1.61 0.15 -1.17 -4.39 113.70 106.22 2ds4 s SER 103 Ca 0.05 1.13 -0.14 0.00 0.70 0.00 0.00 55.95 57.69 2ds4 s SER 103 Cb -0.03 1.23 0.21 0.00 -1.71 0.00 0.00 66.02 65.73 2ds4 s SER 103 CO 0.84 -0.18 1.10 -2.16 1.20 0.00 0.00 173.24 174.03 2ds4 s PRO 104 N 1.06 0.00 0.02 5.44 0.04 -1.26 -4.37 135.00 135.93 2ds4 s PRO 104 Ca -0.05 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.27 2ds4 s PRO 104 Cb -0.05 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2ds4 s PRO 104 CO -0.12 -2.99 0.17 -0.59 0.04 0.00 0.00 177.00 173.51 2ds4 s PHE 105 N -2.97 0.04 0.48 0.56 -0.71 -1.15 -4.98 117.98 109.25 2ds4 s PHE 105 Ca 0.67 -0.18 -0.15 0.00 -1.04 0.00 0.00 56.93 56.23 2ds4 s PHE 105 Cb -0.17 -0.04 -0.08 0.00 -1.21 0.00 0.00 43.02 41.53 2ds4 s PHE 105 CO 0.57 -0.35 0.92 0.95 -1.34 0.00 0.00 175.22 175.97 2ds4 s THR 106 N -1.87 4.61 -0.11 -4.49 -4.23 -1.26 -1.77 115.64 106.51 2ds4 s THR 106 Ca -0.11 1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 2ds4 s THR 106 Cb -0.05 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.13 2ds4 s THR 106 CO -0.00 -0.62 0.19 -0.69 -0.54 0.00 0.00 174.62 172.96 2ds4 s VAL 107 N -2.52 -0.30 -0.31 2.29 1.01 0.00 -4.49 120.40 116.08 2ds4 s VAL 107 Ca 0.57 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 2ds4 s VAL 107 Cb -0.10 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2ds4 s VAL 107 CO 0.30 0.08 0.96 -0.89 0.00 0.00 0.00 175.10 175.56 2ds4 s THR 108 N 2.32 4.62 -0.35 3.92 2.01 0.12 -0.23 115.64 128.04 2ds4 s THR 108 Ca 0.03 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 63.48 2ds4 s THR 108 Cb -0.13 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.11 2ds4 s THR 108 CO -0.07 -0.38 0.14 -0.69 -0.69 0.00 0.00 174.62 172.92 2ds4 s VAL 109 N 3.37 4.00 1.27 3.82 1.01 0.42 -0.20 120.40 134.10 2ds4 s VAL 109 Ca 0.40 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2ds4 s VAL 109 Cb -0.13 -3.27 0.32 0.00 0.00 0.00 0.00 36.38 33.30 2ds4 s VAL 109 CO 0.14 -0.21 1.00 -0.13 0.00 0.00 0.00 175.10 175.90 2ds4 s ARG 110 N 1.44 -1.77 -0.18 2.72 0.52 -0.52 0.09 118.95 121.24 2ds4 s ARG 110 Ca -0.01 0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 55.49 2ds4 s ARG 110 Cb -0.20 -1.49 -0.05 0.00 0.52 0.00 0.00 34.95 33.74 2ds4 s ARG 110 CO 0.04 -4.17 0.10 -0.98 0.02 0.00 0.00 175.30 170.31 2ds4 s ARG 111 N -4.89 4.03 0.31 3.54 1.70 -1.26 -1.16 118.95 121.22 2ds4 s ARG 111 Ca 0.69 -0.27 -0.29 0.00 -0.47 0.00 0.00 55.73 55.38 2ds4 s ARG 111 Cb -0.17 -3.31 -0.11 0.00 -0.57 0.00 0.00 34.95 30.79 2ds4 s ARG 111 CO 0.60 0.33 1.49 0.21 -1.08 0.00 0.00 175.30 176.86 2ds4 s LYS 112 N 0.24 4.18 0.00 3.89 2.20 -1.26 -4.85 119.74 124.13 2ds4 s LYS 112 Ca 0.07 2.47 0.26 0.00 -0.36 0.00 0.00 55.97 58.41 2ds4 s LYS 112 Cb -0.12 -3.03 1.58 0.00 -1.51 0.00 0.00 37.83 34.75 2ds4 s LYS 112 CO -0.01 -0.50 1.93 -2.39 -0.36 0.00 0.00 175.35 174.02