#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 6.00 1.08 1.61 1.04 -1.26 -5.08 113.70 117.09 2ds4 s SER 2 Ca 0.00 0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.33 2ds4 s SER 2 Cb 0.00 -2.08 0.09 0.00 0.10 0.00 0.00 66.02 64.13 2ds4 s SER 2 CO 0.00 0.07 -0.12 -0.24 0.98 0.00 0.00 173.24 173.93 2ds4 n SER 3 N 4.27 -2.63 -3.20 7.02 2.88 -1.26 -5.01 113.62 115.68 2ds4 n SER 3 Ca -0.15 -0.19 -0.19 0.00 -1.33 0.00 0.00 58.87 57.01 2ds4 n SER 3 Cb 0.52 -0.84 -0.07 0.00 -0.75 0.00 0.00 64.21 63.08 2ds4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ds4 s GLY 4 N -1.77 0.31 1.23 0.46 0.00 -1.26 -5.14 107.32 101.15 2ds4 s GLY 4 Ca 0.48 -1.66 -0.20 0.00 0.00 0.00 0.00 44.72 43.34 2ds4 s GLY 4 CO 0.57 2.65 1.11 -1.35 0.00 0.00 0.00 173.10 176.08 2ds4 s SER 5 N 0.49 0.68 -0.03 1.64 1.04 -1.26 -5.00 113.70 111.27 2ds4 s SER 5 Ca 0.30 0.58 -0.18 0.00 0.48 0.00 0.00 55.95 57.12 2ds4 s SER 5 Cb -0.00 -0.78 -0.11 0.00 0.10 0.00 0.00 66.02 65.23 2ds4 s SER 5 CO -0.13 -4.26 0.78 0.28 0.98 0.00 0.00 173.24 170.89 2ds4 h SER 6 N -2.68 -0.47 0.00 7.02 0.02 -1.96 -3.49 113.55 111.99 2ds4 h SER 6 Ca -0.44 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2ds4 h SER 6 Cb 1.29 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2ds4 h SER 6 CO 0.31 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 2ds4 n GLY 7 N 0.21 -1.60 2.94 -3.77 0.00 -1.26 -5.06 105.19 96.65 2ds4 n GLY 7 Ca -0.08 0.64 -0.21 0.00 0.00 0.00 0.00 46.02 46.37 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ds4 n GLU 8 N -2.69 0.53 -3.18 1.61 0.28 -1.26 -5.10 120.64 110.83 2ds4 n GLU 8 Ca 0.00 -3.04 -0.38 0.00 -0.16 0.00 0.00 57.16 53.58 2ds4 n GLU 8 Cb 0.00 1.92 -0.06 0.00 1.43 0.00 0.00 31.44 34.73 2ds4 n GLU 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ds4 s VAL 9 N -3.01 4.62 -0.14 3.84 0.11 -1.26 -3.68 120.40 120.87 2ds4 s VAL 9 Ca 0.24 1.33 0.02 0.00 -2.93 0.00 0.00 61.98 60.65 2ds4 s VAL 9 Cb 0.01 -3.95 0.01 0.00 -1.53 0.00 0.00 36.38 30.93 2ds4 s VAL 9 CO 0.17 0.47 -0.22 -0.62 -3.33 0.00 0.00 175.10 171.58 2ds4 s ASP 10 N -1.24 3.08 0.08 3.54 -1.08 -0.87 -4.86 116.67 115.32 2ds4 s ASP 10 Ca 0.33 -0.60 -0.16 0.00 -0.52 0.00 0.00 52.55 51.60 2ds4 s ASP 10 Cb -0.20 -1.43 -0.10 0.00 -1.46 0.00 0.00 42.92 39.73 2ds4 s ASP 10 CO 0.21 0.07 1.40 1.55 0.52 0.00 0.00 175.17 178.93 2ds4 h PRO 11 N 7.38 0.61 -0.16 4.34 0.13 -1.88 -1.82 132.00 140.60 2ds4 h PRO 11 Ca -0.33 -0.32 0.05 0.00 -0.87 0.00 0.00 66.00 64.52 2ds4 h PRO 11 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ds4 h PRO 11 CO 0.56 0.92 0.19 0.00 -0.23 0.00 0.00 178.00 179.44 2ds4 h ALA 12 N 0.68 1.72 0.05 -0.56 0.00 -1.90 -1.23 119.26 118.02 2ds4 h ALA 12 Ca 0.04 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.61 2ds4 h ALA 12 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2ds4 h ALA 12 CO 0.06 -0.27 -1.92 1.63 0.00 0.00 0.00 179.25 178.75 2ds4 n LYS 13 N -3.71 0.69 -1.02 0.00 4.76 -1.14 -4.08 118.16 113.68 2ds4 n LYS 13 Ca 0.01 0.25 -0.36 0.00 -2.87 0.00 0.00 58.31 55.34 2ds4 n LYS 13 Cb 0.31 -1.73 0.04 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.02 0.00 0.06 0.00 -7.23 -1.13 -4.01 120.40 106.08 2ds4 s VAL 15 Ca 0.43 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2ds4 s VAL 15 Cb -0.21 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2ds4 s VAL 15 CO 0.80 0.00 -0.12 -0.76 -0.31 0.00 0.00 175.10 174.71 2ds4 s LEU 16 N -3.36 2.26 -0.00 1.32 1.43 -1.26 -2.50 118.68 116.57 2ds4 s LEU 16 Ca 0.40 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2ds4 s LEU 16 Cb 0.02 -0.43 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 2ds4 s LEU 16 CO 0.27 -0.10 -0.20 -1.10 0.23 0.00 0.00 176.35 175.45 2ds4 s GLN 17 N -1.62 2.18 0.00 1.70 -0.21 -0.08 -4.96 119.66 116.67 2ds4 s GLN 17 Ca -0.04 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.45 2ds4 s GLN 17 Cb -0.10 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.72 2ds4 s GLN 17 CO 0.02 0.57 0.00 0.41 -2.12 0.00 0.00 175.29 174.16 2ds4 n GLY 18 N 2.01 2.11 0.40 3.09 0.00 -1.26 -3.21 105.19 108.34 2ds4 n GLY 18 Ca -0.16 -0.07 0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 0.39 -2.86 1.61 4.81 -1.98 -2.79 114.58 113.77 2ds4 h GLU 19 Ca 0.00 -0.02 -0.70 0.00 -0.13 0.00 0.00 59.36 58.51 2ds4 h GLU 19 Cb 0.00 -0.09 -0.36 0.00 0.63 0.00 0.00 28.75 28.93 2ds4 h GLU 19 CO 0.00 0.26 -0.04 -0.25 -0.73 0.00 0.00 179.01 178.25 2ds4 n ASP 20 N -4.64 4.60 -0.12 1.04 8.00 -1.26 -4.79 116.55 119.38 2ds4 n ASP 20 Ca 0.25 -3.30 -0.23 0.00 0.71 0.00 0.00 54.79 52.22 2ds4 n ASP 20 Cb 0.87 -0.98 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.59 2.46 -0.85 0.64 4.77 -1.05 -4.32 117.00 120.24 2ds4 n LEU 21 Ca 0.25 0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.37 2ds4 n LEU 21 Cb 0.37 -0.89 0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2ds4 n LEU 21 CO 0.47 0.74 0.42 1.41 -1.33 0.00 0.00 177.39 179.10 2ds4 n HIS 22 N -3.76 0.55 -3.73 -1.77 8.25 -1.26 -4.74 115.22 108.76 2ds4 n HIS 22 Ca -0.48 -0.19 -0.17 0.00 -0.26 0.00 0.00 57.72 56.62 2ds4 n HIS 22 Cb 0.93 -0.20 -0.17 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.48 -0.05 0.16 -0.41 6.06 -1.26 -3.33 118.95 118.63 2ds4 s ARG 23 Ca 0.15 0.28 -0.04 0.00 -2.50 0.00 0.00 55.73 53.61 2ds4 s ARG 23 Cb 0.11 -0.35 -0.03 0.00 0.06 0.00 0.00 34.95 34.74 2ds4 s ARG 23 CO 0.04 -0.24 0.16 0.00 -2.50 0.00 0.00 175.30 172.77 2ds4 s ALA 24 N 1.54 0.61 0.12 6.12 0.00 -0.48 -4.91 121.76 124.77 2ds4 s ALA 24 Ca -0.03 -1.32 0.10 0.00 0.00 0.00 0.00 51.96 50.71 2ds4 s ALA 24 Cb -0.13 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2ds4 s ALA 24 CO -0.03 -0.57 -0.25 1.03 0.00 0.00 0.00 175.76 175.93 2ds4 s ARG 25 N -4.05 1.35 0.19 0.00 0.52 -1.26 -1.87 118.95 113.83 2ds4 s ARG 25 Ca 0.25 -1.29 -0.33 0.00 -0.52 0.00 0.00 55.73 53.85 2ds4 s ARG 25 Cb 0.06 -1.77 -0.13 0.00 0.52 0.00 0.00 34.95 33.62 2ds4 s ARG 25 CO 0.04 0.42 1.65 -1.91 0.02 0.00 0.00 175.30 175.52 2ds4 n GLU 26 N 1.01 2.50 -3.66 3.54 2.13 0.34 -2.02 120.64 124.47 2ds4 n GLU 26 Ca -0.18 0.90 -0.23 0.00 0.66 0.00 0.00 57.16 58.31 2ds4 n GLU 26 Cb 0.53 -2.71 0.06 0.00 0.27 0.00 0.00 31.44 29.59 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 3.61 -6.15 -4.34 5.31 5.02 0.95 -4.26 118.16 118.30 2ds4 n LYS 27 Ca 0.16 0.72 -0.25 0.00 -2.02 0.00 0.00 58.31 56.92 2ds4 n LYS 27 Cb 0.32 -5.57 -0.12 0.00 -0.02 0.00 0.00 35.03 29.64 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 -6.04 1.28 -0.44 1.97 0.74 -0.86 -4.96 119.66 111.35 2ds4 s GLN 28 Ca 0.28 -1.32 -0.20 0.00 0.05 0.00 0.00 55.36 54.16 2ds4 s GLN 28 Cb -0.13 -1.53 0.02 0.00 1.10 0.00 0.00 33.01 32.48 2ds4 s GLN 28 CO 0.78 0.34 0.61 0.99 -0.55 0.00 0.00 175.29 177.46 2ds4 s THR 29 N -1.48 4.87 -0.20 -0.34 2.01 -1.26 -3.90 115.64 115.33 2ds4 s THR 29 Ca 0.13 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2ds4 s THR 29 Cb -0.08 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2ds4 s THR 29 CO 0.06 -0.57 -0.08 0.00 -0.69 0.00 0.00 174.62 173.34 2ds4 s ALA 30 N 2.71 2.72 0.09 7.40 0.00 -0.06 -4.97 121.76 129.65 2ds4 s ALA 30 Ca 0.21 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.11 2ds4 s ALA 30 Cb -0.15 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2ds4 s ALA 30 CO 0.18 -0.27 -0.14 -1.54 0.00 0.00 0.00 175.76 173.99 2ds4 s SER 31 N 1.20 1.77 0.25 0.00 1.04 -1.26 -1.10 113.70 115.61 2ds4 s SER 31 Ca 0.02 -0.69 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 2ds4 s SER 31 Cb -0.14 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 2ds4 s SER 31 CO -0.03 -0.11 0.38 0.72 0.98 0.00 0.00 173.24 175.18 2ds4 s PHE 32 N -1.61 0.72 -0.13 5.02 -0.71 -0.89 -4.98 117.98 115.40 2ds4 s PHE 32 Ca 0.02 -1.02 -0.01 0.00 -1.04 0.00 0.00 56.93 54.89 2ds4 s PHE 32 Cb -0.08 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.63 2ds4 s PHE 32 CO 0.02 -0.92 -0.10 0.99 -1.34 0.00 0.00 175.22 173.87 2ds4 s THR 33 N -3.89 3.30 -0.40 -4.49 2.01 -1.20 -2.97 115.64 107.99 2ds4 s THR 33 Ca 0.29 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 2ds4 s THR 33 Cb 0.02 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.16 2ds4 s THR 33 CO 0.12 0.52 0.28 -0.22 -0.69 0.00 0.00 174.62 174.63 2ds4 s LEU 34 N 0.24 5.04 0.22 4.42 2.96 -1.21 -0.90 118.68 129.44 2ds4 s LEU 34 Ca -0.07 -0.98 -0.24 0.00 -0.22 0.00 0.00 54.13 52.63 2ds4 s LEU 34 Cb -0.15 -2.12 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 2ds4 s LEU 34 CO 0.05 -0.45 0.80 -0.76 -1.32 0.00 0.00 176.35 174.66 2ds4 s LEU 35 N 1.63 4.45 -0.16 -0.68 1.43 -1.04 -2.98 118.68 121.34 2ds4 s LEU 35 Ca 0.04 1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2ds4 s LEU 35 Cb -0.20 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2ds4 s LEU 35 CO 0.09 0.09 -0.07 0.00 0.23 0.00 0.00 176.35 176.68 2ds4 s LYS 37 N 0.59 2.19 0.30 0.00 3.01 -1.26 -3.74 119.74 120.83 2ds4 s LYS 37 Ca -0.05 -2.37 0.05 0.00 -1.01 0.00 0.00 55.97 52.59 2ds4 s LYS 37 Cb -0.15 -1.56 0.05 0.00 -1.01 0.00 0.00 37.83 35.15 2ds4 s LYS 37 CO 0.03 -0.36 0.39 -0.25 0.51 0.00 0.00 175.35 175.66 2ds4 n ASP 38 N -1.28 1.23 0.17 2.83 8.00 -0.34 -2.05 116.55 125.11 2ds4 n ASP 38 Ca -0.18 -1.83 0.06 0.00 0.71 0.00 0.00 54.79 53.55 2ds4 n ASP 38 Cb 0.67 -0.19 0.55 0.00 -0.02 0.00 0.00 41.12 42.13 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ds4 h ALA 39 N 0.36 1.87 -0.27 2.24 0.00 -1.89 0.32 119.26 121.90 2ds4 h ALA 39 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ds4 h ALA 39 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ds4 h ALA 39 CO 0.22 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2ds4 n ALA 40 N -2.52 2.49 -3.22 0.00 0.00 -1.26 -4.89 120.51 111.11 2ds4 n ALA 40 Ca -0.01 -0.48 -0.20 0.00 0.00 0.00 0.00 53.44 52.75 2ds4 n ALA 40 Cb 0.10 -0.98 0.05 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 0.89 -0.37 3.53 0.00 0.00 0.10 -5.01 105.19 104.33 2ds4 n GLY 41 Ca 0.09 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.88 1.91 0.14 1.61 -1.05 -1.26 -4.81 118.70 109.36 2ds4 s GLU 42 Ca 0.40 -1.36 -0.31 0.00 -0.15 0.00 0.00 54.97 53.54 2ds4 s GLU 42 Cb -0.18 -2.06 -0.10 0.00 -0.44 0.00 0.00 34.13 31.35 2ds4 s GLU 42 CO 0.50 0.42 1.63 0.42 0.95 0.00 0.00 175.26 179.17 2ds4 s ILE 43 N -1.76 2.64 -0.17 1.83 -1.09 -1.26 -1.20 121.20 120.19 2ds4 s ILE 43 Ca 0.24 0.37 0.15 0.00 -2.23 0.00 0.00 60.65 59.19 2ds4 s ILE 43 Cb -0.08 -3.24 -0.21 0.00 -1.58 0.00 0.00 42.46 37.35 2ds4 s ILE 43 CO 0.14 0.02 0.06 1.15 -1.23 0.00 0.00 174.94 175.08 2ds4 n MET 44 N 4.49 1.19 -3.55 2.79 0.00 -1.25 -4.90 117.12 115.89 2ds4 n MET 44 Ca 0.15 -0.01 -0.21 0.00 0.00 0.00 0.00 57.70 57.63 2ds4 n MET 44 Cb 0.39 -1.44 0.08 0.00 0.00 0.00 0.00 33.22 32.24 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 1.94 -0.46 3.19 3.17 0.00 -1.26 -5.00 105.19 106.77 2ds4 n GLY 45 Ca -0.28 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.95 1.02 0.00 1.61 0.52 -1.26 -4.68 118.95 110.20 2ds4 s ARG 46 Ca 0.34 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 2ds4 s ARG 46 Cb -0.15 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.59 2ds4 s ARG 46 CO 0.74 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.15 2ds4 n GLY 47 N -0.15 5.02 2.83 -3.53 0.00 -1.25 -2.80 105.19 105.31 2ds4 n GLY 47 Ca -0.04 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.98 3.10 -0.02 0.00 -1.26 -4.95 105.19 106.09 2ds4 n GLY 48 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ds4 s ASP 49 N -2.99 0.09 -0.65 1.61 1.01 -1.26 -5.09 116.67 109.40 2ds4 s ASP 49 Ca 0.13 -0.34 -0.19 0.00 0.71 0.00 0.00 52.55 52.85 2ds4 s ASP 49 Cb -0.02 0.21 0.11 0.00 1.01 0.00 0.00 42.92 44.23 2ds4 s ASP 49 CO 0.61 -0.42 0.79 0.21 0.21 0.00 0.00 175.17 176.57 2ds4 s ASN 50 N -1.66 6.25 -0.19 0.27 2.47 -1.26 -5.02 114.94 115.80 2ds4 s ASN 50 Ca -0.11 -1.50 -0.09 0.00 0.42 0.00 0.00 52.86 51.58 2ds4 s ASN 50 Cb -0.05 -2.32 -0.05 0.00 -1.45 0.00 0.00 41.25 37.37 2ds4 s ASN 50 CO -0.01 -1.13 0.11 -0.69 -3.72 0.00 0.00 177.10 171.66 2ds4 s VAL 51 N 2.75 5.25 -0.21 -5.21 1.01 -1.26 -0.36 120.40 122.37 2ds4 s VAL 51 Ca 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 2ds4 s VAL 51 Cb -0.21 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2ds4 s VAL 51 CO 0.04 0.45 -0.05 -1.10 0.00 0.00 0.00 175.10 174.44 2ds4 s GLN 52 N 0.35 3.39 -0.05 2.72 -1.52 0.85 -5.01 119.66 120.40 2ds4 s GLN 52 Ca 0.07 -0.63 0.05 0.00 -1.95 0.00 0.00 55.36 52.90 2ds4 s GLN 52 Cb -0.11 -2.96 -0.01 0.00 -0.22 0.00 0.00 33.01 29.71 2ds4 s GLN 52 CO -0.01 -0.13 -0.20 0.08 -0.25 0.00 0.00 175.29 174.78 2ds4 s VAL 53 N 1.29 1.68 -0.28 1.09 1.01 -1.26 -2.22 120.40 121.70 2ds4 s VAL 53 Ca 0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 2ds4 s VAL 53 Cb -0.14 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 34.91 2ds4 s VAL 53 CO -0.02 0.48 0.85 0.00 0.00 0.00 0.00 175.10 176.41 2ds4 s ALA 54 N -0.05 -2.04 -0.06 5.51 0.00 -0.94 -5.00 121.76 119.18 2ds4 s ALA 54 Ca -0.04 2.23 0.02 0.00 0.00 0.00 0.00 51.96 54.18 2ds4 s ALA 54 Cb -0.12 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2ds4 s ALA 54 CO 0.03 -0.34 -0.11 0.08 0.00 0.00 0.00 175.76 175.42 2ds4 s VAL 55 N 1.23 3.39 -0.08 0.00 1.01 -1.26 0.08 120.40 124.77 2ds4 s VAL 55 Ca -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2ds4 s VAL 55 Cb -0.04 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 34.02 2ds4 s VAL 55 CO -0.14 0.59 0.16 -0.69 0.00 0.00 0.00 175.10 175.01 2ds4 s VAL 56 N -0.78 -0.14 0.05 2.92 1.01 -0.98 -3.67 120.40 118.81 2ds4 s VAL 56 Ca 0.12 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 2ds4 s VAL 56 Cb -0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.93 2ds4 s VAL 56 CO 0.01 0.10 1.41 -2.16 0.00 0.00 0.00 175.10 174.47 2ds4 s PRO 57 N 1.64 4.29 0.38 2.72 0.04 -1.26 -1.73 135.00 141.09 2ds4 s PRO 57 Ca -0.04 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.16 2ds4 s PRO 57 Cb -0.12 -3.46 0.95 0.00 0.04 0.00 0.00 34.50 31.91 2ds4 s PRO 57 CO -0.06 -0.53 1.84 0.87 0.04 0.00 0.00 177.00 179.15 2ds4 h LYS 58 N 7.50 0.53 0.00 4.56 1.79 -1.77 -2.97 116.57 126.21 2ds4 h LYS 58 Ca -0.40 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2ds4 h LYS 58 Cb 1.19 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2ds4 h LYS 58 CO 0.89 0.35 0.00 -3.47 -1.08 0.00 0.00 179.45 176.14 2ds4 n ASP 59 N -4.58 0.00 -4.73 0.86 2.03 -1.26 -4.71 116.55 104.16 2ds4 n ASP 59 Ca 0.20 0.82 -0.40 0.00 0.52 0.00 0.00 54.79 55.92 2ds4 n ASP 59 Cb 0.63 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 2ds4 n ASP 59 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ds4 s LYS 60 N -2.29 4.49 0.00 -0.67 -0.14 -1.12 -4.95 119.74 115.05 2ds4 s LYS 60 Ca 0.00 1.06 0.16 0.00 -1.36 0.00 0.00 55.97 55.82 2ds4 s LYS 60 Cb 0.00 -3.41 -0.18 0.00 -1.68 0.00 0.00 37.83 32.56 2ds4 s LYS 60 CO 0.00 0.14 0.69 1.17 -0.76 0.00 0.00 175.35 176.60 2ds4 n LYS 61 N 3.36 0.63 -0.08 1.68 4.81 -1.26 -3.99 118.16 123.31 2ds4 n LYS 61 Ca -0.01 0.21 -0.11 0.00 -0.87 0.00 0.00 58.31 57.54 2ds4 n LYS 61 Cb 0.51 -1.77 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 2ds4 n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2ds4 n ASP 62 N -2.90 1.83 -4.23 3.14 9.92 -1.26 -4.85 116.55 118.20 2ds4 n ASP 62 Ca -0.14 0.56 -0.39 0.00 -0.53 0.00 0.00 54.79 54.28 2ds4 n ASP 62 Cb 0.92 -0.89 -0.14 0.00 -0.64 0.00 0.00 41.12 40.37 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2ds4 n SER 63 N -4.55 0.29 -4.33 -2.24 2.88 -1.26 -4.86 113.62 99.55 2ds4 n SER 63 Ca -0.16 0.19 -0.29 0.00 -1.33 0.00 0.00 58.87 57.28 2ds4 n SER 63 Cb 0.41 -0.87 0.20 0.00 -0.75 0.00 0.00 64.21 63.21 2ds4 n SER 63 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ds4 s PRO 64 N 8.37 -0.31 -0.10 -1.46 0.04 -1.26 -4.50 135.00 135.78 2ds4 s PRO 64 Ca 1.27 0.26 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2ds4 s PRO 64 Cb -1.20 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 31.69 2ds4 s PRO 64 CO 0.47 -3.17 -0.09 0.08 0.04 0.00 0.00 177.00 174.33 2ds4 s VAL 65 N -2.98 1.06 -0.21 -0.36 1.01 -1.24 -4.97 120.40 112.71 2ds4 s VAL 65 Ca 0.68 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2ds4 s VAL 65 Cb -0.15 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 2ds4 s VAL 65 CO 0.57 0.36 2.14 0.54 0.00 0.00 0.00 175.10 178.71 2ds4 n ARG 66 N 4.59 1.85 -4.72 2.72 5.12 -1.26 -4.62 116.66 120.34 2ds4 n ARG 66 Ca -0.16 0.56 -0.23 0.00 -1.93 0.00 0.00 57.85 56.09 2ds4 n ARG 66 Cb 0.50 -2.92 -0.15 0.00 -1.16 0.00 0.00 32.46 28.74 2ds4 n ARG 66 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ds4 s THR 67 N 7.01 1.21 -0.02 0.55 -4.23 -1.26 -3.27 115.64 115.64 2ds4 s THR 67 Ca 1.01 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 2ds4 s THR 67 Cb -0.54 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2ds4 s THR 67 CO 0.42 0.34 -0.08 -0.32 -0.54 0.00 0.00 174.62 174.45 2ds4 s MET 68 N -0.34 0.80 -0.11 3.99 1.75 -0.36 -5.04 119.30 119.99 2ds4 s MET 68 Ca 0.05 -0.25 -0.01 0.00 -1.25 0.00 0.00 55.69 54.23 2ds4 s MET 68 Cb -0.06 -0.77 0.03 0.00 2.84 0.00 0.00 34.83 36.87 2ds4 s MET 68 CO -0.00 0.10 -0.04 0.54 -0.65 0.00 0.00 175.02 174.96 2ds4 s VAL 69 N 0.19 0.81 -0.47 10.11 0.11 -1.26 -1.03 120.40 128.86 2ds4 s VAL 69 Ca -0.03 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 2ds4 s VAL 69 Cb -0.08 -0.93 0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2ds4 s VAL 69 CO 0.00 0.26 0.50 -1.58 -3.33 0.00 0.00 175.10 170.96 2ds4 s GLN 70 N 1.78 3.08 -0.26 1.54 0.74 -0.53 -5.02 119.66 121.00 2ds4 s GLN 70 Ca 0.04 -0.94 -0.29 0.00 0.05 0.00 0.00 55.36 54.22 2ds4 s GLN 70 Cb -0.13 -4.06 -0.02 0.00 1.10 0.00 0.00 33.01 29.90 2ds4 s GLN 70 CO -0.07 -1.04 1.59 0.16 -0.55 0.00 0.00 175.29 175.38 2ds4 s ASP 71 N 2.34 6.34 -0.01 6.67 -4.77 -1.26 -3.28 116.67 122.69 2ds4 s ASP 71 Ca 0.12 1.46 0.15 0.00 -3.30 0.00 0.00 52.55 50.97 2ds4 s ASP 71 Cb -0.20 -2.53 -0.20 0.00 -1.09 0.00 0.00 42.92 38.90 2ds4 s ASP 71 CO 0.11 -1.32 0.49 0.59 0.70 0.00 0.00 175.17 175.74 2ds4 n ASN 72 N 8.66 1.09 -3.38 2.11 3.02 -1.26 -4.98 115.26 120.52 2ds4 n ASN 72 Ca 0.19 -0.44 -0.21 0.00 -0.03 0.00 0.00 54.58 54.09 2ds4 n ASN 72 Cb 0.46 1.34 -0.05 0.00 -0.61 0.00 0.00 39.78 40.92 2ds4 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2ds4 n LYS 73 N -1.68 -0.89 -0.30 3.52 0.00 -1.26 -4.70 118.16 112.84 2ds4 n LYS 73 Ca 0.00 0.07 0.06 0.00 -0.00 0.00 0.00 58.31 58.43 2ds4 n LYS 73 Cb 0.31 -2.40 0.08 0.00 -0.00 0.00 0.00 35.03 33.03 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2ds4 n ASP 74 N -1.27 1.33 0.00 -5.58 2.03 -1.26 -3.83 116.55 107.96 2ds4 n ASP 74 Ca -0.05 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.62 2ds4 n ASP 74 Cb 0.32 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.79 3.10 3.12 0.27 0.00 -1.12 -4.64 105.19 105.13 2ds4 n GLY 75 Ca 0.09 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.26 0.97 0.39 2.61 -4.23 -1.26 -3.45 115.64 110.40 2ds4 s THR 76 Ca 0.00 -0.96 0.08 0.00 -1.18 0.00 0.00 61.69 59.62 2ds4 s THR 76 Cb 0.00 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 2ds4 s THR 76 CO 0.00 -0.06 0.37 -0.31 -0.54 0.00 0.00 174.62 174.08 2ds4 s TYR 77 N -0.89 2.79 -0.31 3.99 1.51 -1.16 -4.49 117.35 118.79 2ds4 s TYR 77 Ca -0.00 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 2ds4 s TYR 77 Cb -0.08 -2.06 0.10 0.00 -0.11 0.00 0.00 41.96 39.81 2ds4 s TYR 77 CO 0.01 -0.04 0.06 -0.47 -1.11 0.00 0.00 175.55 174.00 2ds4 s TYR 78 N -2.40 2.58 -0.13 2.71 5.04 -1.21 -3.31 117.35 120.64 2ds4 s TYR 78 Ca 0.46 -2.23 -0.05 0.00 -2.44 0.00 0.00 57.07 52.81 2ds4 s TYR 78 Cb -0.05 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 40.05 2ds4 s TYR 78 CO 0.28 -0.89 0.05 0.42 -1.34 0.00 0.00 175.55 174.07 2ds4 s ILE 79 N 1.32 4.71 -0.01 3.14 1.01 -1.16 -1.45 121.20 128.76 2ds4 s ILE 79 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2ds4 s ILE 79 Cb -0.18 -3.05 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 2ds4 s ILE 79 CO -0.16 0.55 -0.06 -0.44 0.00 0.00 0.00 174.94 174.83 2ds4 s SER 80 N -0.43 0.71 0.02 3.58 0.01 -0.20 -2.10 113.70 115.30 2ds4 s SER 80 Ca 0.09 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 2ds4 s SER 80 Cb -0.12 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.01 2ds4 s SER 80 CO 0.02 0.06 0.20 -0.72 0.41 0.00 0.00 173.24 173.21 2ds4 s TYR 81 N -0.05 -0.00 -0.15 2.43 -0.85 -0.26 -1.23 117.35 117.24 2ds4 s TYR 81 Ca 0.01 -0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 56.40 2ds4 s TYR 81 Cb -0.03 -0.01 0.06 0.00 0.38 0.00 0.00 41.96 42.36 2ds4 s TYR 81 CO -0.00 -0.38 0.11 0.99 -1.52 0.00 0.00 175.55 174.75 2ds4 s THR 82 N -1.93 -0.14 0.44 -3.49 2.01 -1.20 -0.88 115.64 110.45 2ds4 s THR 82 Ca -0.10 -0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.63 2ds4 s THR 82 Cb -0.04 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.89 2ds4 s THR 82 CO -0.00 -0.18 1.17 -2.16 -0.69 0.00 0.00 174.62 172.76 2ds4 s PRO 83 N 2.18 3.84 -0.22 4.92 0.04 -1.25 -4.44 135.00 140.06 2ds4 s PRO 83 Ca 0.03 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 2ds4 s PRO 83 Cb -0.15 -2.49 -0.18 0.00 0.04 0.00 0.00 34.50 31.72 2ds4 s PRO 83 CO -0.08 -0.49 0.03 1.63 0.04 0.00 0.00 177.00 178.13 2ds4 n LYS 84 N -0.32 0.61 -4.30 4.56 5.02 -1.26 -0.03 118.16 122.44 2ds4 n LYS 84 Ca 0.06 0.40 -0.28 0.00 -2.02 0.00 0.00 58.31 56.47 2ds4 n LYS 84 Cb 0.47 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ds4 s GLU 85 N -2.45 1.91 0.68 1.97 0.41 -1.26 -4.31 118.70 115.65 2ds4 s GLU 85 Ca -0.31 -1.22 -0.14 0.00 -0.41 0.00 0.00 54.97 52.89 2ds4 s GLU 85 Cb 0.09 -2.14 0.01 0.00 -1.78 0.00 0.00 34.13 30.31 2ds4 s GLU 85 CO 0.59 0.46 1.11 -1.25 -0.49 0.00 0.00 175.26 175.68 2ds4 s PRO 86 N -2.45 2.69 0.00 0.39 0.04 -1.26 -4.91 135.00 129.50 2ds4 s PRO 86 Ca 0.21 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2ds4 s PRO 86 Cb -0.10 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2ds4 s PRO 86 CO 0.12 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2ds4 n GLY 87 N -0.65 1.47 3.70 0.56 0.00 0.85 -4.97 105.19 106.15 2ds4 n GLY 87 Ca 0.10 -2.05 -0.42 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 -1.25 4.84 0.48 1.61 0.11 -1.26 -1.26 120.40 123.67 2ds4 s VAL 88 Ca 0.00 2.05 0.05 0.00 -2.93 0.00 0.00 61.98 61.15 2ds4 s VAL 88 Cb 0.00 -4.32 -0.01 0.00 -1.53 0.00 0.00 36.38 30.52 2ds4 s VAL 88 CO 0.00 0.10 0.21 -0.31 -3.33 0.00 0.00 175.10 171.77 2ds4 s TYR 89 N 1.40 2.07 -0.24 1.54 1.51 0.88 -2.19 117.35 122.32 2ds4 s TYR 89 Ca 0.50 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2ds4 s TYR 89 Cb -0.20 -1.86 0.07 0.00 -0.11 0.00 0.00 41.96 39.87 2ds4 s TYR 89 CO 0.24 -0.04 0.03 0.99 -1.11 0.00 0.00 175.55 175.66 2ds4 s THR 90 N -2.73 0.90 -0.64 -0.71 2.01 -0.70 -1.04 115.64 112.73 2ds4 s THR 90 Ca 0.29 -0.98 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 2ds4 s THR 90 Cb 0.01 -1.42 0.06 0.00 0.01 0.00 0.00 72.50 71.16 2ds4 s THR 90 CO 0.17 -0.31 0.98 -0.69 -0.69 0.00 0.00 174.62 174.07 2ds4 s VAL 91 N 1.66 4.30 -0.17 3.82 1.01 0.02 -2.32 120.40 128.72 2ds4 s VAL 91 Ca 0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2ds4 s VAL 91 Cb -0.18 -4.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.54 2ds4 s VAL 91 CO -0.12 -1.39 1.12 0.26 0.00 0.00 0.00 175.10 174.97 2ds4 s TRP 92 N 4.15 3.19 -0.25 5.22 0.52 0.11 -3.11 118.94 128.78 2ds4 s TRP 92 Ca 0.25 1.31 -0.02 0.00 0.02 0.00 0.00 56.10 57.66 2ds4 s TRP 92 Cb -0.15 -3.35 0.08 0.00 -1.15 0.00 0.00 33.47 28.90 2ds4 s TRP 92 CO 0.13 -0.93 0.07 0.08 0.02 0.00 0.00 176.95 176.32 2ds4 s VAL 93 N 3.01 0.56 0.01 4.03 1.01 -1.26 -2.22 120.40 125.54 2ds4 s VAL 93 Ca 0.49 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2ds4 s VAL 93 Cb -0.19 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2ds4 s VAL 93 CO 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 175.10 174.69 2ds4 s ILE 95 N -0.51 2.46 -1.19 0.00 1.01 0.25 -0.10 121.20 123.13 2ds4 s ILE 95 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2ds4 s ILE 95 Cb -0.05 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2ds4 s ILE 95 CO 0.00 0.51 1.02 0.29 0.00 0.00 0.00 174.94 176.76 2ds4 n LYS 96 N 4.49 -6.81 -3.38 2.79 5.02 0.51 -2.51 118.16 118.28 2ds4 n LYS 96 Ca -0.20 0.77 -0.19 0.00 -2.02 0.00 0.00 58.31 56.67 2ds4 n LYS 96 Cb 0.51 -5.62 0.07 0.00 -0.02 0.00 0.00 35.03 29.96 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 -4.31 -6.44 -3.75 1.97 -0.58 -1.26 -5.01 120.64 101.25 2ds4 n GLU 97 Ca -0.12 0.68 -0.13 0.00 -0.42 0.00 0.00 57.16 57.18 2ds4 n GLU 97 Cb 0.60 -5.28 -0.11 0.00 -0.57 0.00 0.00 31.44 26.08 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 -5.98 0.35 -0.27 3.49 -0.21 -1.04 -5.13 119.66 110.88 2ds4 s GLN 98 Ca 0.43 0.49 -0.29 0.00 0.02 0.00 0.00 55.36 56.01 2ds4 s GLN 98 Cb -0.19 0.13 0.01 0.00 1.00 0.00 0.00 33.01 33.95 2ds4 s GLN 98 CO 0.60 -0.07 1.13 -3.38 -2.12 0.00 0.00 175.29 171.45 2ds4 s HIS 99 N 0.42 3.07 1.14 0.91 -3.43 -1.26 0.87 115.29 117.01 2ds4 s HIS 99 Ca -0.02 1.18 -0.16 0.00 -0.80 0.00 0.00 55.06 55.27 2ds4 s HIS 99 Cb -0.04 -3.59 0.26 0.00 -1.43 0.00 0.00 32.58 27.79 2ds4 s HIS 99 CO -0.02 -1.00 1.07 0.14 -2.00 0.00 0.00 174.74 172.93 2ds4 s VAL 100 N 3.63 1.79 0.50 -5.38 -7.23 -1.14 -4.51 120.40 108.05 2ds4 s VAL 100 Ca 0.48 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.42 2ds4 s VAL 100 Cb -0.15 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 2ds4 s VAL 100 CO 0.14 0.00 1.32 1.67 -0.31 0.00 0.00 175.10 177.92 2ds4 n GLN 101 N -4.66 1.81 -3.86 4.82 7.27 -1.09 -2.80 117.38 118.88 2ds4 n GLN 101 Ca 0.08 0.66 -0.25 0.00 0.07 0.00 0.00 57.00 57.56 2ds4 n GLN 101 Cb 0.58 -2.50 0.01 0.00 2.41 0.00 0.00 30.24 30.73 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 0.78 -0.29 3.54 1.69 0.00 -1.26 -4.88 105.19 104.76 2ds4 n GLY 102 Ca 0.08 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ds4 s SER 103 N -4.19 -0.61 0.82 1.61 0.01 -1.12 -4.36 113.70 105.86 2ds4 s SER 103 Ca 0.12 0.73 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 2ds4 s SER 103 Cb -0.06 0.59 0.08 0.00 0.21 0.00 0.00 66.02 66.84 2ds4 s SER 103 CO 0.85 -0.52 1.09 -2.16 0.41 0.00 0.00 173.24 172.92 2ds4 s PRO 104 N -0.99 1.89 0.15 12.44 0.04 -1.26 -4.55 135.00 142.71 2ds4 s PRO 104 Ca -0.08 1.05 0.06 0.00 0.04 0.00 0.00 61.00 62.07 2ds4 s PRO 104 Cb -0.01 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2ds4 s PRO 104 CO 0.07 -1.86 -0.13 -0.59 0.04 0.00 0.00 177.00 174.53 2ds4 s PHE 105 N -2.91 1.44 0.33 0.56 -0.12 -1.18 -4.99 117.98 111.10 2ds4 s PHE 105 Ca 0.62 -0.61 -0.01 0.00 -0.05 0.00 0.00 56.93 56.89 2ds4 s PHE 105 Cb -0.17 -0.73 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 2ds4 s PHE 105 CO 0.56 0.18 0.54 0.95 -0.05 0.00 0.00 175.22 177.41 2ds4 s THR 106 N -2.59 5.10 -0.03 -4.49 -4.23 -1.26 -0.80 115.64 107.34 2ds4 s THR 106 Ca 0.14 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 2ds4 s THR 106 Cb -0.02 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.99 2ds4 s THR 106 CO 0.03 -0.50 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.87 2ds4 s VAL 107 N -2.26 0.51 -0.55 2.29 1.01 -0.21 -4.66 120.40 116.53 2ds4 s VAL 107 Ca 0.41 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 2ds4 s VAL 107 Cb -0.10 -0.49 0.07 0.00 0.00 0.00 0.00 36.38 35.87 2ds4 s VAL 107 CO 0.35 0.19 0.69 -0.89 0.00 0.00 0.00 175.10 175.43 2ds4 s THR 108 N 0.43 4.80 -0.41 3.92 2.01 -1.21 -0.08 115.64 125.09 2ds4 s THR 108 Ca -0.05 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.12 2ds4 s THR 108 Cb -0.09 -4.40 0.02 0.00 0.01 0.00 0.00 72.50 68.03 2ds4 s THR 108 CO -0.00 -0.98 0.55 -0.69 -0.69 0.00 0.00 174.62 172.82 2ds4 s VAL 109 N 2.79 4.95 0.60 3.82 1.01 -0.39 -1.38 120.40 131.80 2ds4 s VAL 109 Ca 0.15 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2ds4 s VAL 109 Cb -0.21 -4.10 0.13 0.00 0.00 0.00 0.00 36.38 32.20 2ds4 s VAL 109 CO 0.10 -0.46 0.82 0.54 0.00 0.00 0.00 175.10 176.10 2ds4 n ARG 110 N 5.95 -0.31 -3.58 2.72 1.74 -0.78 -0.10 116.66 122.30 2ds4 n ARG 110 Ca -0.04 -1.81 -0.38 0.00 -0.77 0.00 0.00 57.85 54.85 2ds4 n ARG 110 Cb 0.48 -0.68 -0.11 0.00 -1.02 0.00 0.00 32.46 31.13 2ds4 n ARG 110 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ds4 s ARG 111 N -4.66 3.91 0.91 5.56 0.52 -1.26 0.13 118.95 124.05 2ds4 s ARG 111 Ca 0.51 -0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.26 2ds4 s ARG 111 Cb -0.02 -3.67 0.09 0.00 0.52 0.00 0.00 34.95 31.86 2ds4 s ARG 111 CO 0.35 -0.21 0.85 1.17 0.02 0.00 0.00 175.30 177.48 2ds4 n LYS 112 N 5.07 -0.29 0.00 3.54 4.81 -1.26 -4.86 118.16 125.17 2ds4 n LYS 112 Ca -0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2ds4 n LYS 112 Cb 0.52 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.40 2ds4 n LYS 112 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15