#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 -0.16 -0.08 1.61 0.15 -1.26 -5.16 113.70 108.80 2ds4 s SER 2 Ca 0.00 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.16 2ds4 s SER 2 Cb 0.00 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2ds4 s SER 2 CO 0.00 -0.19 0.29 -0.55 1.20 0.00 0.00 173.24 173.99 2ds4 s SER 3 N 1.60 -0.26 -0.29 5.45 0.15 -1.26 -5.16 113.70 113.94 2ds4 s SER 3 Ca -0.07 0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.86 2ds4 s SER 3 Cb -0.10 0.51 0.12 0.00 -1.71 0.00 0.00 66.02 64.83 2ds4 s SER 3 CO -0.09 -0.21 0.74 -0.83 1.20 0.00 0.00 173.24 174.04 2ds4 s GLY 4 N -0.35 -0.56 -0.07 9.45 0.00 -1.26 -5.16 107.32 109.38 2ds4 s GLY 4 Ca -0.05 2.55 -0.10 0.00 0.00 0.00 0.00 44.72 47.12 2ds4 s GLY 4 CO 0.02 2.81 0.25 -1.35 0.00 0.00 0.00 173.10 174.83 2ds4 s SER 5 N 2.25 6.56 0.28 1.64 1.04 -1.26 -4.98 113.70 119.23 2ds4 s SER 5 Ca -0.07 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2ds4 s SER 5 Cb -0.08 -2.14 0.66 0.00 0.10 0.00 0.00 66.02 64.56 2ds4 s SER 5 CO -0.19 0.38 1.44 -0.24 0.98 0.00 0.00 173.24 175.61 2ds4 n SER 6 N 1.91 -0.14 0.00 7.02 2.88 -1.26 -4.71 113.62 119.32 2ds4 n SER 6 Ca -0.18 1.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 2ds4 n SER 6 Cb 0.54 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.48 -0.15 2.57 0.46 0.00 -1.26 -5.09 105.19 100.24 2ds4 n GLY 7 Ca 0.21 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 2ds4 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ds4 n GLU 8 N -2.10 0.53 -3.38 1.61 1.02 -1.26 -5.13 120.64 111.92 2ds4 n GLU 8 Ca 0.00 -2.17 -0.33 0.00 -0.02 0.00 0.00 57.16 54.64 2ds4 n GLU 8 Cb 0.00 2.07 -0.06 0.00 -0.02 0.00 0.00 31.44 33.43 2ds4 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ds4 s VAL 9 N -2.74 4.89 -0.05 2.62 0.11 -1.26 -3.75 120.40 120.22 2ds4 s VAL 9 Ca 0.23 0.62 0.03 0.00 -2.93 0.00 0.00 61.98 59.93 2ds4 s VAL 9 Cb -0.01 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2ds4 s VAL 9 CO 0.16 0.02 -0.14 -0.62 -3.33 0.00 0.00 175.10 171.18 2ds4 s ASP 10 N -2.16 1.90 -0.02 3.54 2.15 -0.57 -4.84 116.67 116.68 2ds4 s ASP 10 Ca 0.45 -0.31 -0.26 0.00 0.43 0.00 0.00 52.55 52.86 2ds4 s ASP 10 Cb -0.12 -0.64 -0.20 0.00 -0.30 0.00 0.00 42.92 41.66 2ds4 s ASP 10 CO 0.20 0.10 1.24 1.55 -0.17 0.00 0.00 175.17 178.10 2ds4 h PRO 11 N 6.50 -0.03 -0.25 4.34 0.13 -1.89 -2.06 132.00 138.74 2ds4 h PRO 11 Ca -0.32 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.89 2ds4 h PRO 11 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ds4 h PRO 11 CO 0.48 0.45 0.48 0.00 -0.23 0.00 0.00 178.00 179.18 2ds4 h ALA 12 N 0.43 1.83 0.01 -0.56 0.00 -1.90 0.32 119.26 119.40 2ds4 h ALA 12 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 2ds4 h ALA 12 Cb 0.49 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2ds4 h ALA 12 CO 0.01 -0.61 -1.94 1.63 0.00 0.00 0.00 179.25 178.34 2ds4 n LYS 13 N -3.25 0.66 -1.61 0.00 4.76 -1.16 -4.27 118.16 113.29 2ds4 n LYS 13 Ca 0.04 0.21 -0.40 0.00 -2.87 0.00 0.00 58.31 55.29 2ds4 n LYS 13 Cb 0.60 -1.71 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.38 0.84 0.04 0.00 -7.23 -1.17 -3.74 120.40 107.76 2ds4 s VAL 15 Ca 0.67 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2ds4 s VAL 15 Cb -0.50 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2ds4 s VAL 15 CO 0.54 0.00 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.40 2ds4 s LEU 16 N -3.54 2.16 -0.06 1.32 1.43 -1.26 -2.45 118.68 116.28 2ds4 s LEU 16 Ca 0.29 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2ds4 s LEU 16 Cb 0.05 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 2ds4 s LEU 16 CO 0.15 0.09 -0.14 -1.10 0.23 0.00 0.00 176.35 175.57 2ds4 s GLN 17 N -1.12 2.66 0.00 1.70 -1.52 -0.10 -4.99 119.66 116.29 2ds4 s GLN 17 Ca 0.04 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 2ds4 s GLN 17 Cb -0.08 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.30 2ds4 s GLN 17 CO 0.01 0.54 0.00 0.41 -0.25 0.00 0.00 175.29 176.01 2ds4 n GLY 18 N 2.54 4.29 0.10 3.09 0.00 -1.26 -2.83 105.19 111.12 2ds4 n GLY 18 Ca -0.17 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 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 0.18 -1.66 1.61 5.08 -1.97 -3.33 114.58 114.49 2ds4 h GLU 19 Ca 0.00 -0.31 -0.39 0.00 -1.00 0.00 0.00 59.36 57.66 2ds4 h GLU 19 Cb 0.00 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 29.21 2ds4 h GLU 19 CO 0.00 1.15 0.41 -0.40 -1.00 0.00 0.00 179.01 179.17 2ds4 n ASP 20 N -4.28 6.50 0.02 1.42 5.75 -1.26 -4.42 116.55 120.28 2ds4 n ASP 20 Ca -0.14 -3.13 -0.19 0.00 -0.01 0.00 0.00 54.79 51.33 2ds4 n ASP 20 Cb 0.71 -1.11 -0.12 0.00 -1.03 0.00 0.00 41.12 39.56 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ds4 h LEU 21 N 2.97 0.54 -2.37 -2.12 3.38 -1.94 -3.23 115.31 112.54 2ds4 h LEU 21 Ca 0.33 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2ds4 h LEU 21 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2ds4 h LEU 21 CO 0.82 1.30 0.04 1.41 0.09 0.00 0.00 178.44 182.10 2ds4 n HIS 22 N -4.16 1.10 -3.65 1.13 8.25 -1.26 -4.77 115.22 111.86 2ds4 n HIS 22 Ca -0.12 -0.46 -0.15 0.00 -0.26 0.00 0.00 57.72 56.74 2ds4 n HIS 22 Cb 0.74 -0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.85 0.77 0.20 -0.41 3.52 -1.22 -3.44 118.95 116.52 2ds4 s ARG 23 Ca 0.27 0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 56.32 2ds4 s ARG 23 Cb 0.21 0.37 -0.00 0.00 -1.56 0.00 0.00 34.95 33.97 2ds4 s ARG 23 CO 0.08 -0.15 0.38 0.00 -0.81 0.00 0.00 175.30 174.80 2ds4 s ALA 24 N -0.25 -0.19 0.09 6.12 0.00 0.94 -4.75 121.76 123.72 2ds4 s ALA 24 Ca -0.04 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2ds4 s ALA 24 Cb -0.03 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 2ds4 s ALA 24 CO 0.03 -0.74 -0.12 0.50 0.00 0.00 0.00 175.76 175.43 2ds4 s ARG 25 N -3.98 2.08 0.26 0.00 3.52 -1.26 -1.37 118.95 118.21 2ds4 s ARG 25 Ca 0.18 -1.03 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 2ds4 s ARG 25 Cb 0.01 -2.26 -0.14 0.00 -1.56 0.00 0.00 34.95 31.00 2ds4 s ARG 25 CO 0.03 0.51 1.19 -1.91 -0.81 0.00 0.00 175.30 174.31 2ds4 n GLU 26 N 0.89 1.62 -4.29 5.12 4.07 0.30 -1.58 120.64 126.77 2ds4 n GLU 26 Ca -0.14 0.57 -0.34 0.00 -0.06 0.00 0.00 57.16 57.19 2ds4 n GLU 26 Cb 0.52 -2.08 -0.07 0.00 -0.06 0.00 0.00 31.44 29.76 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 1.23 -1.72 -4.73 5.31 5.02 0.11 -4.52 118.16 118.86 2ds4 n LYS 27 Ca 0.10 0.21 -0.30 0.00 -2.02 0.00 0.00 58.31 56.30 2ds4 n LYS 27 Cb 0.31 -4.32 -0.13 0.00 -0.02 0.00 0.00 35.03 30.87 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 -7.11 1.95 -0.61 1.97 2.00 -0.62 -4.94 119.66 112.30 2ds4 s GLN 28 Ca 0.34 -1.04 -0.22 0.00 -2.00 0.00 0.00 55.36 52.44 2ds4 s GLN 28 Cb -0.19 -2.11 0.07 0.00 0.80 0.00 0.00 33.01 31.58 2ds4 s GLN 28 CO 0.97 0.53 0.89 0.99 -0.50 0.00 0.00 175.29 178.17 2ds4 s THR 29 N -0.89 4.45 -0.23 -0.34 2.01 -1.26 -4.01 115.64 115.38 2ds4 s THR 29 Ca 0.14 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2ds4 s THR 29 Cb -0.10 -4.59 -0.04 0.00 0.01 0.00 0.00 72.50 67.78 2ds4 s THR 29 CO 0.04 -1.29 0.08 0.00 -0.69 0.00 0.00 174.62 172.76 2ds4 s ALA 30 N 3.72 3.28 0.05 7.40 0.00 -0.07 -4.93 121.76 131.21 2ds4 s ALA 30 Ca 0.22 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2ds4 s ALA 30 Cb -0.17 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 2ds4 s ALA 30 CO 0.11 -0.23 -0.16 -1.54 0.00 0.00 0.00 175.76 173.94 2ds4 s SER 31 N 1.14 1.88 0.18 0.00 1.04 -1.26 -0.84 113.70 115.84 2ds4 s SER 31 Ca 0.05 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 2ds4 s SER 31 Cb -0.14 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 2ds4 s SER 31 CO 0.04 0.04 0.12 0.72 0.98 0.00 0.00 173.24 175.13 2ds4 s PHE 32 N -0.95 1.00 -0.14 5.02 -0.71 -0.98 -4.99 117.98 116.23 2ds4 s PHE 32 Ca 0.02 -1.29 -0.05 0.00 -1.04 0.00 0.00 56.93 54.58 2ds4 s PHE 32 Cb -0.09 -0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 2ds4 s PHE 32 CO 0.02 -0.61 0.02 0.99 -1.34 0.00 0.00 175.22 174.30 2ds4 s THR 33 N -4.11 4.45 -0.36 -4.49 2.01 -1.13 -2.92 115.64 109.09 2ds4 s THR 33 Ca 0.32 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 2ds4 s THR 33 Cb 0.07 -2.94 0.06 0.00 0.01 0.00 0.00 72.50 69.69 2ds4 s THR 33 CO 0.08 0.53 0.15 -0.22 -0.69 0.00 0.00 174.62 174.47 2ds4 s LEU 34 N -0.15 4.61 0.26 4.42 2.96 -1.07 -0.92 118.68 128.78 2ds4 s LEU 34 Ca 0.05 -1.31 -0.17 0.00 -0.22 0.00 0.00 54.13 52.48 2ds4 s LEU 34 Cb -0.12 -1.89 -0.08 0.00 0.50 0.00 0.00 46.19 44.59 2ds4 s LEU 34 CO 0.02 -0.40 0.72 -0.76 -1.32 0.00 0.00 176.35 174.61 2ds4 s LEU 35 N 1.38 4.22 -0.13 -0.68 1.43 -1.02 -2.44 118.68 121.43 2ds4 s LEU 35 Ca 0.00 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 2ds4 s LEU 35 Cb -0.21 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.23 2ds4 s LEU 35 CO 0.02 -0.07 -0.20 0.00 0.23 0.00 0.00 176.35 176.34 2ds4 s LYS 37 N 0.64 1.61 0.69 0.00 3.01 -1.26 -3.76 119.74 120.68 2ds4 s LYS 37 Ca -0.10 -1.79 -0.08 0.00 -1.01 0.00 0.00 55.97 52.99 2ds4 s LYS 37 Cb -0.16 -1.41 0.15 0.00 -1.01 0.00 0.00 37.83 35.40 2ds4 s LYS 37 CO 0.02 0.14 0.95 -0.40 0.51 0.00 0.00 175.35 176.57 2ds4 n ASP 38 N -0.62 0.49 0.00 2.83 5.68 -0.75 -1.51 116.55 122.68 2ds4 n ASP 38 Ca -0.06 -1.60 0.02 0.00 -0.50 0.00 0.00 54.79 52.66 2ds4 n ASP 38 Cb 0.62 -0.69 0.11 0.00 -1.14 0.00 0.00 41.12 40.03 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ds4 n ALA 39 N -3.37 1.35 0.58 2.12 0.00 -1.25 -0.69 120.51 119.25 2ds4 n ALA 39 Ca -0.15 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2ds4 n ALA 39 Cb 0.46 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 2ds4 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ds4 n ALA 40 N -1.35 3.67 -0.82 0.00 0.00 -1.26 -4.97 120.51 115.77 2ds4 n ALA 40 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2ds4 n ALA 40 Cb 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2ds4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ds4 n GLY 41 N 1.38 0.67 3.50 0.00 0.00 0.13 -5.07 105.19 105.80 2ds4 n GLY 41 Ca 0.01 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.72 1.80 0.32 1.61 -1.05 -1.26 -4.86 118.70 113.54 2ds4 s GLU 42 Ca 0.00 -1.47 -0.29 0.00 -0.15 0.00 0.00 54.97 53.05 2ds4 s GLU 42 Cb 0.00 -1.96 -0.12 0.00 -0.44 0.00 0.00 34.13 31.61 2ds4 s GLU 42 CO 0.00 0.40 1.49 -0.89 0.95 0.00 0.00 175.26 177.20 2ds4 n ILE 43 N -0.07 1.50 -0.08 1.83 2.08 -1.26 -1.80 119.36 121.55 2ds4 n ILE 43 Ca -0.10 -0.37 -0.09 0.00 0.56 0.00 0.00 62.75 62.75 2ds4 n ILE 43 Cb 0.57 -1.85 -0.13 0.00 -0.75 0.00 0.00 39.64 37.49 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 1.31 1.24 -1.32 0.38 0.00 -1.25 -4.85 117.12 112.64 2ds4 n MET 44 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 57.70 57.65 2ds4 n MET 44 Cb 0.37 -1.42 -0.05 0.00 0.00 0.00 0.00 33.22 32.12 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 2.05 1.21 3.16 3.17 0.00 -1.26 -4.86 105.19 108.67 2ds4 n GLY 45 Ca -0.28 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.85 3.03 -0.70 1.61 0.52 -1.26 -4.58 118.95 114.71 2ds4 s ARG 46 Ca 0.00 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 2ds4 s ARG 46 Cb 0.00 -2.53 0.15 0.00 0.52 0.00 0.00 34.95 33.10 2ds4 s ARG 46 CO 0.00 -0.11 0.73 0.20 0.02 0.00 0.00 175.30 176.14 2ds4 s GLY 47 N 1.05 2.19 -0.44 -3.53 0.00 -1.24 -4.29 107.32 101.05 2ds4 s GLY 47 Ca -0.01 -2.76 0.05 0.00 0.00 0.00 0.00 44.72 42.00 2ds4 s GLY 47 CO -0.07 1.43 1.10 0.61 0.00 0.00 0.00 173.10 176.17 2ds4 n GLY 48 N 4.84 0.05 3.26 0.20 0.00 -1.26 -4.70 105.19 107.57 2ds4 n GLY 48 Ca 0.02 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.20 0.77 -0.52 1.61 1.01 -1.26 -5.02 116.67 112.07 2ds4 s ASP 49 Ca 0.25 -1.37 -0.12 0.00 0.71 0.00 0.00 52.55 52.02 2ds4 s ASP 49 Cb 0.27 0.25 0.13 0.00 1.01 0.00 0.00 42.92 44.57 2ds4 s ASP 49 CO -0.12 -0.76 0.42 0.21 0.21 0.00 0.00 175.17 175.12 2ds4 s ASN 50 N -3.24 5.91 -0.29 0.27 2.47 -1.26 -5.04 114.94 113.77 2ds4 s ASN 50 Ca 0.37 -1.93 -0.23 0.00 0.42 0.00 0.00 52.86 51.49 2ds4 s ASN 50 Cb 0.07 -2.09 -0.00 0.00 -1.45 0.00 0.00 41.25 37.78 2ds4 s ASN 50 CO 0.12 -0.74 0.77 -0.69 -3.72 0.00 0.00 177.10 172.84 2ds4 s VAL 51 N 1.35 4.83 -0.23 -5.21 1.01 -1.26 -2.36 120.40 118.53 2ds4 s VAL 51 Ca 0.06 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 2ds4 s VAL 51 Cb -0.27 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2ds4 s VAL 51 CO 0.00 -0.19 0.10 -1.58 0.00 0.00 0.00 175.10 173.43 2ds4 s GLN 52 N 2.87 3.86 0.01 2.72 2.00 0.01 -5.02 119.66 126.12 2ds4 s GLN 52 Ca 0.32 -0.38 0.06 0.00 -2.00 0.00 0.00 55.36 53.35 2ds4 s GLN 52 Cb -0.14 -3.36 -0.02 0.00 0.80 0.00 0.00 33.01 30.29 2ds4 s GLN 52 CO 0.11 0.01 -0.18 0.08 -0.50 0.00 0.00 175.29 174.81 2ds4 s VAL 53 N 1.12 1.41 -0.30 1.34 1.01 -1.26 -2.69 120.40 121.03 2ds4 s VAL 53 Ca 0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2ds4 s VAL 53 Cb -0.14 -1.20 0.18 0.00 0.00 0.00 0.00 36.38 35.21 2ds4 s VAL 53 CO 0.04 0.26 0.98 0.00 0.00 0.00 0.00 175.10 176.38 2ds4 s ALA 54 N -0.61 -3.24 -0.16 5.51 0.00 -1.10 -4.99 121.76 117.17 2ds4 s ALA 54 Ca 0.06 1.52 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 2ds4 s ALA 54 Cb -0.08 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2ds4 s ALA 54 CO 0.00 -1.42 0.11 0.08 0.00 0.00 0.00 175.76 174.53 2ds4 s VAL 55 N 2.92 5.22 -0.03 0.00 1.01 -1.26 -1.39 120.40 126.87 2ds4 s VAL 55 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2ds4 s VAL 55 Cb -0.11 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2ds4 s VAL 55 CO -0.13 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 174.85 2ds4 s VAL 56 N -0.20 -0.06 0.03 2.92 1.01 -1.07 -3.42 120.40 119.61 2ds4 s VAL 56 Ca 0.10 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2ds4 s VAL 56 Cb -0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 2ds4 s VAL 56 CO 0.01 0.09 1.43 -2.16 0.00 0.00 0.00 175.10 174.47 2ds4 s PRO 57 N 1.15 4.28 0.47 2.72 0.04 -1.25 -1.46 135.00 140.94 2ds4 s PRO 57 Ca -0.08 2.03 0.19 0.00 0.04 0.00 0.00 61.00 63.18 2ds4 s PRO 57 Cb -0.13 -3.53 1.19 0.00 0.04 0.00 0.00 34.50 32.08 2ds4 s PRO 57 CO -0.04 -0.57 1.96 -0.22 0.04 0.00 0.00 177.00 178.18 2ds4 h LYS 58 N 7.73 0.23 0.27 4.56 1.63 -1.63 -2.08 116.57 127.28 2ds4 h LYS 58 Ca -0.39 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 2ds4 h LYS 58 Cb 1.19 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2ds4 h LYS 58 CO 0.90 0.15 -0.13 -0.44 -3.45 0.00 0.00 179.45 176.48 2ds4 h ASP 59 N 0.24 -0.30 -3.41 4.20 5.19 -1.91 -3.42 116.42 117.01 2ds4 h ASP 59 Ca 0.31 -0.16 -0.64 0.00 -0.62 0.00 0.00 57.03 55.91 2ds4 h ASP 59 Cb 0.87 0.08 -0.23 0.00 0.18 0.00 0.00 39.33 40.23 2ds4 h ASP 59 CO -0.06 0.01 -0.67 -0.54 -3.12 0.00 0.00 179.24 174.85 2ds4 s LYS 60 N -4.99 3.60 0.10 3.56 -0.14 -0.78 -4.99 119.74 116.09 2ds4 s LYS 60 Ca -0.15 -0.53 -0.06 0.00 -1.36 0.00 0.00 55.97 53.87 2ds4 s LYS 60 Cb 0.03 -3.04 -0.19 0.00 -1.68 0.00 0.00 37.83 32.95 2ds4 s LYS 60 CO 0.59 0.03 1.21 0.87 -0.76 0.00 0.00 175.35 177.29 2ds4 h LYS 61 N 7.42 0.38 0.00 1.68 1.57 -1.83 -3.33 116.57 122.46 2ds4 h LYS 61 Ca -0.35 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 57.92 2ds4 h LYS 61 Cb 1.18 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2ds4 h LYS 61 CO 0.61 1.19 -0.04 0.22 -0.57 0.00 0.00 179.45 180.85 2ds4 h ASP 62 N 0.17 0.00 0.00 0.86 1.82 -1.94 -3.45 116.42 113.88 2ds4 h ASP 62 Ca -0.12 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.25 2ds4 h ASP 62 Cb 1.78 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.73 2ds4 h ASP 62 CO 0.19 0.26 1.15 -1.20 -1.61 0.00 0.00 179.24 178.03 2ds4 n SER 63 N -3.33 -0.29 -3.56 2.28 7.64 -1.26 -4.84 113.62 110.27 2ds4 n SER 63 Ca -0.01 -0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.49 2ds4 n SER 63 Cb 0.02 -0.46 0.25 0.00 -1.01 0.00 0.00 64.21 63.01 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 4.43 -3.17 -4.39 1.43 -0.04 -1.26 -4.35 135.00 127.65 2ds4 n PRO 64 Ca 0.41 -1.77 -0.24 0.00 -0.04 0.00 0.00 63.50 61.87 2ds4 n PRO 64 Cb 0.05 -1.66 -0.17 0.00 -0.04 0.00 0.00 33.50 31.69 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 -3.00 0.96 -0.59 0.52 1.01 -1.22 -4.92 120.40 113.16 2ds4 s VAL 65 Ca 0.72 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.08 2ds4 s VAL 65 Cb -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2ds4 s VAL 65 CO 0.55 0.32 1.99 -0.13 0.00 0.00 0.00 175.10 177.83 2ds4 s ARG 66 N 0.87 2.50 0.44 2.72 3.00 -1.26 -4.73 118.95 122.48 2ds4 s ARG 66 Ca -0.11 0.77 0.08 0.00 0.00 0.00 0.00 55.73 56.46 2ds4 s ARG 66 Cb -0.15 -4.45 -0.00 0.00 0.00 0.00 0.00 34.95 30.35 2ds4 s ARG 66 CO 0.01 -2.88 0.43 0.95 0.00 0.00 0.00 175.30 173.81 2ds4 s THR 67 N 9.84 2.53 -0.01 0.02 -4.23 -1.26 -3.05 115.64 119.48 2ds4 s THR 67 Ca 0.74 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 2ds4 s THR 67 Cb -0.13 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.88 2ds4 s THR 67 CO 0.21 0.00 0.17 -0.32 -0.54 0.00 0.00 174.62 174.14 2ds4 s MET 68 N -4.21 0.47 -0.17 3.99 1.75 0.93 -4.97 119.30 117.09 2ds4 s MET 68 Ca 0.48 -0.27 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 2ds4 s MET 68 Cb -0.04 0.20 0.06 0.00 2.84 0.00 0.00 34.83 37.89 2ds4 s MET 68 CO 0.28 -0.11 0.09 0.08 -0.65 0.00 0.00 175.02 174.71 2ds4 s VAL 69 N -1.15 -0.09 -0.93 10.11 1.01 -1.26 -2.11 120.40 125.99 2ds4 s VAL 69 Ca -0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 2ds4 s VAL 69 Cb -0.06 -0.57 0.23 0.00 0.00 0.00 0.00 36.38 35.97 2ds4 s VAL 69 CO 0.02 -0.28 0.90 -1.58 0.00 0.00 0.00 175.10 174.16 2ds4 s GLN 70 N 2.14 3.79 0.20 2.72 2.00 -0.34 -5.03 119.66 125.14 2ds4 s GLN 70 Ca 0.02 -2.66 -0.32 0.00 -2.00 0.00 0.00 55.36 50.40 2ds4 s GLN 70 Cb -0.16 -4.51 -0.12 0.00 0.80 0.00 0.00 33.01 29.02 2ds4 s GLN 70 CO -0.09 -1.31 1.70 -3.47 -0.50 0.00 0.00 175.29 171.62 2ds4 n ASP 71 N 3.76 3.82 -0.00 6.67 -0.08 -1.26 -3.58 116.55 125.87 2ds4 n ASP 71 Ca 0.18 1.06 -0.01 0.00 -1.51 0.00 0.00 54.79 54.52 2ds4 n ASP 71 Cb 0.45 -1.55 -0.00 0.00 2.34 0.00 0.00 41.12 42.36 2ds4 n ASP 71 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ds4 n ASN 72 N 3.88 4.11 -2.56 1.67 3.02 -1.26 -5.03 115.26 119.10 2ds4 n ASN 72 Ca 0.16 -0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 2ds4 n ASN 72 Cb 0.34 0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.43 -4.59 -1.17 3.52 4.76 -1.26 -4.92 118.16 112.08 2ds4 n LYS 73 Ca -0.01 0.69 -0.05 0.00 -2.87 0.00 0.00 58.31 56.07 2ds4 n LYS 73 Cb 0.52 -5.15 0.13 0.00 -1.84 0.00 0.00 35.03 28.70 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 -1.70 2.85 0.00 4.39 2.03 -1.26 -3.63 116.55 119.22 2ds4 n ASP 74 Ca -0.06 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.48 2ds4 n ASP 74 Cb 0.58 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -0.92 3.06 3.51 0.27 0.00 -1.26 -4.81 105.19 105.04 2ds4 n GLY 75 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.17 0.61 0.03 2.61 -4.23 -1.26 -3.08 115.64 108.15 2ds4 s THR 76 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2ds4 s THR 76 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 2ds4 s THR 76 CO 0.00 0.00 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.76 2ds4 s TYR 77 N -3.21 0.36 -0.31 3.99 1.51 -1.02 -4.11 117.35 114.57 2ds4 s TYR 77 Ca 0.24 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 2ds4 s TYR 77 Cb 0.03 -0.27 0.07 0.00 -0.11 0.00 0.00 41.96 41.68 2ds4 s TYR 77 CO 0.15 -0.29 -0.00 -0.47 -1.11 0.00 0.00 175.55 173.82 2ds4 s TYR 78 N -2.64 3.38 0.09 2.71 5.04 -1.24 -2.60 117.35 122.09 2ds4 s TYR 78 Ca -0.05 -2.24 0.05 0.00 -2.44 0.00 0.00 57.07 52.38 2ds4 s TYR 78 Cb -0.01 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 2ds4 s TYR 78 CO -0.05 -0.87 0.01 0.42 -1.34 0.00 0.00 175.55 173.72 2ds4 s ILE 79 N 1.14 4.06 -0.08 3.14 1.01 -1.15 -1.20 121.20 128.12 2ds4 s ILE 79 Ca -0.02 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 2ds4 s ILE 79 Cb -0.20 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.35 2ds4 s ILE 79 CO -0.04 0.11 0.27 -0.55 0.00 0.00 0.00 174.94 174.73 2ds4 s SER 80 N -2.34 -0.24 0.03 3.58 0.15 -0.90 -2.31 113.70 111.67 2ds4 s SER 80 Ca 0.26 0.42 -0.06 0.00 0.70 0.00 0.00 55.95 57.27 2ds4 s SER 80 Cb -0.12 0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2ds4 s SER 80 CO 0.19 -0.17 0.11 -0.72 1.20 0.00 0.00 173.24 173.85 2ds4 s TYR 81 N -0.19 0.15 -0.20 3.44 -0.85 -0.02 -0.05 117.35 119.64 2ds4 s TYR 81 Ca -0.03 -0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.07 2ds4 s TYR 81 Cb -0.03 -0.11 0.09 0.00 0.38 0.00 0.00 41.96 42.29 2ds4 s TYR 81 CO 0.01 -0.35 0.20 0.99 -1.52 0.00 0.00 175.55 174.88 2ds4 s THR 82 N -2.32 -0.29 0.47 -3.49 2.01 -1.17 -0.90 115.64 109.96 2ds4 s THR 82 Ca -0.07 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 2ds4 s THR 82 Cb -0.03 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.74 2ds4 s THR 82 CO -0.03 -0.23 1.16 -2.16 -0.69 0.00 0.00 174.62 172.67 2ds4 s PRO 83 N 2.30 3.69 -0.06 4.92 0.04 -1.26 -4.29 135.00 140.33 2ds4 s PRO 83 Ca 0.06 1.74 0.16 0.00 0.04 0.00 0.00 61.00 63.00 2ds4 s PRO 83 Cb -0.16 -2.34 -0.22 0.00 0.04 0.00 0.00 34.50 31.83 2ds4 s PRO 83 CO -0.12 -0.60 0.52 1.63 0.04 0.00 0.00 177.00 178.47 2ds4 n LYS 84 N -0.63 0.65 -4.03 4.56 5.02 -1.26 -0.71 118.16 121.76 2ds4 n LYS 84 Ca 0.08 0.17 -0.08 0.00 -2.02 0.00 0.00 58.31 56.46 2ds4 n LYS 84 Cb 0.49 -1.70 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ds4 s GLU 85 N -2.69 0.52 0.79 1.97 -1.05 -1.26 -4.62 118.70 112.36 2ds4 s GLU 85 Ca -0.06 -0.96 -0.11 0.00 -0.15 0.00 0.00 54.97 53.69 2ds4 s GLU 85 Cb 0.08 0.19 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 2ds4 s GLU 85 CO 0.83 -0.10 1.09 -1.25 0.95 0.00 0.00 175.26 176.78 2ds4 s PRO 86 N -2.99 2.16 0.00 -4.83 0.04 -1.26 -4.89 135.00 123.22 2ds4 s PRO 86 Ca -0.02 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2ds4 s PRO 86 Cb 0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2ds4 s PRO 86 CO -0.07 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2ds4 n GLY 87 N -1.20 1.07 3.74 0.56 0.00 -0.85 -4.92 105.19 103.60 2ds4 n GLY 87 Ca 0.09 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 4.44 0.37 1.61 0.11 -1.26 0.06 120.40 124.68 2ds4 s VAL 88 Ca 0.00 1.99 0.06 0.00 -2.93 0.00 0.00 61.98 61.10 2ds4 s VAL 88 Cb 0.00 -4.28 -0.07 0.00 -1.53 0.00 0.00 36.38 30.49 2ds4 s VAL 88 CO 0.00 0.37 0.02 -0.31 -3.33 0.00 0.00 175.10 171.85 2ds4 s TYR 89 N -0.31 2.30 -0.27 1.54 1.51 0.14 -1.66 117.35 120.60 2ds4 s TYR 89 Ca 0.44 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 2ds4 s TYR 89 Cb -0.23 -1.57 0.08 0.00 -0.11 0.00 0.00 41.96 40.13 2ds4 s TYR 89 CO 0.29 0.30 0.07 0.99 -1.11 0.00 0.00 175.55 176.08 2ds4 s THR 90 N -2.92 0.80 -0.17 -0.71 2.01 -0.54 -0.95 115.64 113.16 2ds4 s THR 90 Ca 0.35 -1.12 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 2ds4 s THR 90 Cb 0.09 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 2ds4 s THR 90 CO 0.17 -0.49 0.87 -0.69 -0.69 0.00 0.00 174.62 173.78 2ds4 s VAL 91 N 1.69 4.85 -0.32 3.82 1.01 -0.51 -2.59 120.40 128.35 2ds4 s VAL 91 Ca 0.05 1.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 2ds4 s VAL 91 Cb -0.17 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 2ds4 s VAL 91 CO -0.19 0.00 0.34 0.26 0.00 0.00 0.00 175.10 175.52 2ds4 s TRP 92 N 2.24 3.22 -0.24 5.22 0.52 -0.49 -2.60 118.94 126.82 2ds4 s TRP 92 Ca 0.40 0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.60 2ds4 s TRP 92 Cb -0.17 -2.61 0.07 0.00 -1.15 0.00 0.00 33.47 29.61 2ds4 s TRP 92 CO 0.12 -0.35 0.00 0.08 0.02 0.00 0.00 176.95 176.82 2ds4 s VAL 93 N 2.00 1.13 0.03 4.03 1.01 -1.26 -2.72 120.40 124.62 2ds4 s VAL 93 Ca 0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2ds4 s VAL 93 Cb -0.16 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2ds4 s VAL 93 CO 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.97 2ds4 s ILE 95 N -2.58 1.52 -1.49 0.00 1.01 0.60 -0.81 121.20 119.46 2ds4 s ILE 95 Ca -0.05 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 2ds4 s ILE 95 Cb -0.02 -1.35 0.07 0.00 0.01 0.00 0.00 42.46 41.17 2ds4 s ILE 95 CO -0.05 0.44 0.85 0.29 0.00 0.00 0.00 174.94 176.48 2ds4 n LYS 96 N 3.67 -5.00 -3.40 2.79 5.02 -0.99 -1.17 118.16 119.08 2ds4 n LYS 96 Ca -0.21 0.57 -0.19 0.00 -2.02 0.00 0.00 58.31 56.45 2ds4 n LYS 96 Cb 0.52 -5.30 0.07 0.00 -0.02 0.00 0.00 35.03 30.30 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 -6.64 -3.68 1.97 -0.58 -1.26 -5.01 120.64 100.89 2ds4 n GLU 97 Ca -0.07 0.72 -0.13 0.00 -0.42 0.00 0.00 57.16 57.26 2ds4 n GLU 97 Cb 0.57 -5.41 -0.13 0.00 -0.57 0.00 0.00 31.44 25.90 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 -5.94 0.17 0.17 3.49 -0.21 -0.31 -5.13 119.66 111.90 2ds4 s GLN 98 Ca 0.40 0.69 -0.31 0.00 0.02 0.00 0.00 55.36 56.16 2ds4 s GLN 98 Cb -0.18 -0.05 -0.10 0.00 1.00 0.00 0.00 33.01 33.68 2ds4 s GLN 98 CO 0.63 -0.25 1.54 -1.01 -2.12 0.00 0.00 175.29 174.08 2ds4 s HIS 99 N 2.08 3.07 0.93 0.91 3.76 -1.26 -0.29 115.29 124.49 2ds4 s HIS 99 Ca -0.02 0.69 -0.13 0.00 -0.15 0.00 0.00 55.06 55.45 2ds4 s HIS 99 Cb -0.11 -3.90 0.21 0.00 1.11 0.00 0.00 32.58 29.88 2ds4 s HIS 99 CO -0.09 -3.27 1.27 0.14 -0.85 0.00 0.00 174.74 171.94 2ds4 s VAL 100 N 1.04 2.00 0.47 -0.90 -7.23 -1.20 -4.33 120.40 110.25 2ds4 s VAL 100 Ca 0.69 -0.16 -0.23 0.00 -1.81 0.00 0.00 61.98 60.46 2ds4 s VAL 100 Cb -0.43 -2.84 -0.07 0.00 0.56 0.00 0.00 36.38 33.60 2ds4 s VAL 100 CO 0.32 0.00 1.27 -1.58 -0.31 0.00 0.00 175.10 174.80 2ds4 s GLN 101 N -5.76 3.62 -1.48 4.82 0.74 -1.20 -3.15 119.66 117.24 2ds4 s GLN 101 Ca 0.75 2.04 -0.06 0.00 0.05 0.00 0.00 55.36 58.13 2ds4 s GLN 101 Cb -0.03 -2.46 0.05 0.00 1.10 0.00 0.00 33.01 31.68 2ds4 s GLN 101 CO 0.52 -0.74 0.62 0.41 -0.55 0.00 0.00 175.29 175.54 2ds4 n GLY 102 N 0.60 -0.32 3.51 2.59 0.00 -1.26 -4.86 105.19 105.44 2ds4 n GLY 102 Ca 0.07 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.96 -0.62 1.02 1.61 0.15 -1.19 -4.41 113.70 106.30 2ds4 s SER 103 Ca 0.27 0.82 -0.13 0.00 0.70 0.00 0.00 55.95 57.62 2ds4 s SER 103 Cb -0.14 0.73 0.20 0.00 -1.71 0.00 0.00 66.02 65.10 2ds4 s SER 103 CO 0.88 -0.49 1.09 -2.16 1.20 0.00 0.00 173.24 173.76 2ds4 s PRO 104 N -0.80 0.27 0.02 5.44 0.04 -1.26 -4.52 135.00 134.19 2ds4 s PRO 104 Ca -0.08 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.45 2ds4 s PRO 104 Cb -0.02 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 2ds4 s PRO 104 CO 0.07 -2.83 -0.07 -0.59 0.04 0.00 0.00 177.00 173.62 2ds4 s PHE 105 N -2.97 0.61 0.37 0.56 -0.12 -1.07 -5.00 117.98 110.37 2ds4 s PHE 105 Ca 0.66 -0.34 -0.16 0.00 -0.05 0.00 0.00 56.93 57.04 2ds4 s PHE 105 Cb -0.19 -0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 41.74 2ds4 s PHE 105 CO 0.58 -0.05 0.81 0.95 -0.05 0.00 0.00 175.22 177.45 2ds4 s THR 106 N -0.87 4.62 -0.05 -4.49 -4.23 -1.26 -1.43 115.64 107.93 2ds4 s THR 106 Ca -0.05 1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 2ds4 s THR 106 Cb -0.07 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.17 2ds4 s THR 106 CO 0.00 -0.30 0.02 -0.69 -0.54 0.00 0.00 174.62 173.11 2ds4 s VAL 107 N -2.13 0.18 -0.03 2.29 1.01 -0.13 -4.55 120.40 117.04 2ds4 s VAL 107 Ca 0.56 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.48 2ds4 s VAL 107 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2ds4 s VAL 107 CO 0.19 0.20 0.76 0.28 0.00 0.00 0.00 175.10 176.54 2ds4 s THR 108 N 1.68 4.95 -0.19 3.92 -1.32 -1.22 0.26 115.64 123.71 2ds4 s THR 108 Ca -0.00 1.60 -0.08 0.00 -1.21 0.00 0.00 61.69 61.99 2ds4 s THR 108 Cb -0.13 -4.11 -0.04 0.00 -1.51 0.00 0.00 72.50 66.72 2ds4 s THR 108 CO -0.03 0.26 0.07 -0.69 -2.21 0.00 0.00 174.62 172.02 2ds4 s VAL 109 N 0.64 4.84 0.56 5.08 1.01 0.11 -0.04 120.40 132.60 2ds4 s VAL 109 Ca 0.40 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.45 2ds4 s VAL 109 Cb -0.19 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.07 2ds4 s VAL 109 CO 0.21 0.44 0.77 -0.13 0.00 0.00 0.00 175.10 176.39 2ds4 s ARG 110 N 0.52 2.34 0.10 2.72 1.81 -0.47 -2.01 118.95 123.96 2ds4 s ARG 110 Ca 0.04 -1.45 -0.18 0.00 -1.72 0.00 0.00 55.73 52.42 2ds4 s ARG 110 Cb -0.13 -2.62 -0.07 0.00 -0.45 0.00 0.00 34.95 31.68 2ds4 s ARG 110 CO 0.01 -0.81 0.56 -0.98 -0.68 0.00 0.00 175.30 173.40 2ds4 s ARG 111 N -4.67 4.13 0.32 3.54 1.70 -1.26 0.11 118.95 122.83 2ds4 s ARG 111 Ca 0.61 0.67 -0.28 0.00 -0.47 0.00 0.00 55.73 56.25 2ds4 s ARG 111 Cb -0.07 -3.14 -0.10 0.00 -0.57 0.00 0.00 34.95 31.08 2ds4 s ARG 111 CO 0.38 0.59 1.18 0.21 -1.08 0.00 0.00 175.30 176.58 2ds4 s LYS 112 N -1.38 4.42 0.00 3.89 2.20 -1.26 -4.69 119.74 122.91 2ds4 s LYS 112 Ca 0.32 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 2ds4 s LYS 112 Cb -0.18 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 2ds4 s LYS 112 CO 0.19 -0.03 0.20 1.58 -0.36 0.00 0.00 175.35 176.93