#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 -0.01 -0.23 1.61 0.01 -1.26 -5.14 113.70 108.69 2ds4 s SER 2 Ca 0.00 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 2ds4 s SER 2 Cb 0.00 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2ds4 s SER 2 CO 0.00 -0.05 0.08 -0.94 0.41 0.00 0.00 173.24 172.74 2ds4 s SER 3 N 0.34 5.42 0.00 2.44 1.04 -1.26 -5.03 113.70 116.65 2ds4 s SER 3 Ca -0.03 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2ds4 s SER 3 Cb -0.04 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2ds4 s SER 3 CO -0.01 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2ds4 n GLY 4 N 4.39 0.06 3.24 7.32 0.00 -1.26 -5.19 105.19 113.75 2ds4 n GLY 4 Ca -0.16 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 2ds4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ds4 s SER 5 N 0.00 0.87 0.16 1.61 0.01 -1.26 -5.05 113.70 110.04 2ds4 s SER 5 Ca 0.00 -1.55 -0.24 0.00 1.31 0.00 0.00 55.95 55.47 2ds4 s SER 5 Cb 0.00 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.71 2ds4 s SER 5 CO 0.00 -0.93 1.39 -1.20 0.41 0.00 0.00 173.24 172.91 2ds4 n SER 6 N -0.84 -0.84 0.00 2.44 7.64 -1.26 -4.84 113.62 115.92 2ds4 n SER 6 Ca 0.04 1.59 0.00 0.00 1.01 0.00 0.00 58.87 61.52 2ds4 n SER 6 Cb 0.64 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2ds4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ds4 n GLY 7 N -1.29 1.42 3.45 0.23 0.00 -1.26 -5.09 105.19 102.65 2ds4 n GLY 7 Ca 0.04 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.70 -0.11 1.61 -1.05 -1.26 -5.15 118.70 114.44 2ds4 s GLU 8 Ca 0.00 -1.97 -0.04 0.00 -0.15 0.00 0.00 54.97 52.81 2ds4 s GLU 8 Cb 0.00 -0.74 -0.03 0.00 -0.44 0.00 0.00 34.13 32.92 2ds4 s GLU 8 CO 0.00 -0.28 0.03 0.54 0.95 0.00 0.00 175.26 176.51 2ds4 s VAL 9 N -3.33 4.57 -0.09 1.83 0.11 -1.26 -3.99 120.40 118.25 2ds4 s VAL 9 Ca 0.33 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2ds4 s VAL 9 Cb 0.07 -2.96 -0.02 0.00 -1.53 0.00 0.00 36.38 31.95 2ds4 s VAL 9 CO 0.15 0.59 -0.17 -0.62 -3.33 0.00 0.00 175.10 171.72 2ds4 s ASP 10 N -0.71 3.77 0.02 3.54 -1.08 -1.06 -4.89 116.67 116.25 2ds4 s ASP 10 Ca 0.12 -0.34 -0.22 0.00 -0.52 0.00 0.00 52.55 51.59 2ds4 s ASP 10 Cb -0.12 -1.24 -0.16 0.00 -1.46 0.00 0.00 42.92 39.95 2ds4 s ASP 10 CO 0.02 0.23 1.32 1.55 0.52 0.00 0.00 175.17 178.82 2ds4 h PRO 11 N 6.20 0.27 -0.61 4.34 0.13 -1.88 -2.46 132.00 137.99 2ds4 h PRO 11 Ca -0.32 -0.14 0.18 0.00 -0.87 0.00 0.00 66.00 64.85 2ds4 h PRO 11 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2ds4 h PRO 11 CO 0.52 0.68 0.62 0.00 -0.23 0.00 0.00 178.00 179.59 2ds4 h ALA 12 N 0.59 2.39 0.02 -0.56 0.00 -1.89 0.33 119.26 120.15 2ds4 h ALA 12 Ca 0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 2ds4 h ALA 12 Cb 0.63 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2ds4 h ALA 12 CO 0.03 -0.93 -1.78 1.63 0.00 0.00 0.00 179.25 178.19 2ds4 n LYS 13 N -3.71 0.66 -1.61 0.00 4.76 -1.16 -4.15 118.16 112.95 2ds4 n LYS 13 Ca 0.12 0.29 -0.38 0.00 -2.87 0.00 0.00 58.31 55.47 2ds4 n LYS 13 Cb 0.85 -1.77 0.05 0.00 -1.84 0.00 0.00 35.03 32.32 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 -1.76 0.00 -4.20 0.00 0.24 -1.14 -3.52 118.33 107.95 2ds4 n VAL 15 Ca 0.14 -2.17 -0.19 0.00 -2.04 0.00 0.00 64.34 60.08 2ds4 n VAL 15 Cb 0.47 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.74 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 2.31 -0.15 1.34 1.43 -1.26 -2.60 118.68 119.75 2ds4 s LEU 16 Ca 0.32 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2ds4 s LEU 16 Cb 0.02 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 2ds4 s LEU 16 CO 0.22 -0.07 -0.09 -1.10 0.23 0.00 0.00 176.35 175.54 2ds4 s GLN 17 N -1.95 3.47 0.00 1.70 -0.21 -0.12 -4.96 119.66 117.60 2ds4 s GLN 17 Ca 0.01 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.77 2ds4 s GLN 17 Cb -0.09 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.17 2ds4 s GLN 17 CO 0.03 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 2ds4 n GLY 18 N 3.63 0.30 0.47 3.09 0.00 -1.26 -3.09 105.19 108.33 2ds4 n GLY 18 Ca -0.18 0.35 0.29 0.00 0.00 0.00 0.00 46.02 46.48 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 0.07 -2.36 1.61 4.81 -1.99 -2.29 114.58 114.43 2ds4 h GLU 19 Ca 0.00 -0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 2ds4 h GLU 19 Cb 0.00 -0.02 -0.37 0.00 0.63 0.00 0.00 28.75 28.99 2ds4 h GLU 19 CO 0.00 0.05 -0.12 -0.40 -0.73 0.00 0.00 179.01 177.81 2ds4 n ASP 20 N -4.30 4.97 -0.09 1.04 5.68 -1.26 -4.77 116.55 117.82 2ds4 n ASP 20 Ca 0.21 -3.54 -0.23 0.00 -0.50 0.00 0.00 54.79 50.73 2ds4 n ASP 20 Cb 1.00 -0.82 -0.12 0.00 -1.14 0.00 0.00 41.12 40.04 2ds4 n ASP 20 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2ds4 n LEU 21 N 0.51 2.34 0.26 -2.12 4.77 -0.86 -4.24 117.00 117.66 2ds4 n LEU 21 Ca 0.32 0.23 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 2ds4 n LEU 21 Cb 0.37 -0.97 0.64 0.00 -2.33 0.00 0.00 43.42 41.13 2ds4 n LEU 21 CO 0.47 0.65 0.94 0.45 -1.33 0.00 0.00 177.39 178.57 2ds4 h HIS 22 N -0.48 0.00 -3.19 -1.77 3.86 -1.86 -3.43 115.15 108.28 2ds4 h HIS 22 Ca -0.50 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.10 2ds4 h HIS 22 Cb 1.71 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.07 2ds4 h HIS 22 CO 0.04 0.07 -0.45 1.03 0.86 0.00 0.00 177.93 179.48 2ds4 s ARG 23 N -3.72 4.10 0.15 2.45 3.00 -1.26 -0.15 118.95 123.52 2ds4 s ARG 23 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 55.73 55.58 2ds4 s ARG 23 Cb 0.10 -3.39 -0.03 0.00 0.00 0.00 0.00 34.95 31.63 2ds4 s ARG 23 CO 0.57 0.36 0.12 0.00 0.00 0.00 0.00 175.30 176.35 2ds4 s ALA 24 N 0.17 0.71 0.10 2.13 0.00 -0.14 -4.91 121.76 119.82 2ds4 s ALA 24 Ca 0.11 -1.38 0.07 0.00 0.00 0.00 0.00 51.96 50.77 2ds4 s ALA 24 Cb -0.12 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2ds4 s ALA 24 CO 0.00 -0.54 -0.18 1.03 0.00 0.00 0.00 175.76 176.07 2ds4 s ARG 25 N -4.05 1.04 0.30 0.00 0.52 -1.26 -0.93 118.95 114.57 2ds4 s ARG 25 Ca 0.25 -1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 2ds4 s ARG 25 Cb 0.06 -1.19 -0.12 0.00 0.52 0.00 0.00 34.95 34.23 2ds4 s ARG 25 CO 0.03 0.27 1.47 -1.91 0.02 0.00 0.00 175.30 175.18 2ds4 n GLU 26 N 1.02 2.39 -4.08 3.54 4.07 0.22 -1.99 120.64 125.81 2ds4 n GLU 26 Ca -0.19 0.85 -0.32 0.00 -0.06 0.00 0.00 57.16 57.44 2ds4 n GLU 26 Cb 0.54 -2.55 -0.01 0.00 -0.06 0.00 0.00 31.44 29.36 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 1.62 -3.71 -4.78 5.31 5.02 0.04 -4.40 118.16 117.25 2ds4 n LYS 27 Ca 0.08 0.43 -0.31 0.00 -2.02 0.00 0.00 58.31 56.49 2ds4 n LYS 27 Cb 0.35 -5.03 -0.13 0.00 -0.02 0.00 0.00 35.03 30.20 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 -6.75 2.15 -0.66 1.97 -0.44 -0.84 -4.96 119.66 110.12 2ds4 s GLN 28 Ca 0.52 -0.93 -0.21 0.00 -2.50 0.00 0.00 55.36 52.25 2ds4 s GLN 28 Cb -0.28 -2.20 0.09 0.00 -1.64 0.00 0.00 33.01 28.98 2ds4 s GLN 28 CO 0.90 0.56 0.88 0.99 0.50 0.00 0.00 175.29 179.11 2ds4 s THR 29 N -0.85 4.57 -0.33 -0.34 2.01 -1.26 -3.93 115.64 115.51 2ds4 s THR 29 Ca 0.13 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 2ds4 s THR 29 Cb -0.10 -4.62 -0.02 0.00 0.01 0.00 0.00 72.50 67.77 2ds4 s THR 29 CO 0.04 -1.34 0.22 0.00 -0.69 0.00 0.00 174.62 172.85 2ds4 s ALA 30 N 3.36 3.46 0.11 7.40 0.00 -0.19 -4.93 121.76 130.98 2ds4 s ALA 30 Ca 0.19 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.88 2ds4 s ALA 30 Cb -0.18 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2ds4 s ALA 30 CO 0.06 -0.93 -0.23 -1.54 0.00 0.00 0.00 175.76 173.12 2ds4 s SER 31 N 1.70 2.86 0.20 0.00 1.04 -1.26 -1.56 113.70 116.69 2ds4 s SER 31 Ca 0.06 -0.71 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 2ds4 s SER 31 Cb -0.17 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 2ds4 s SER 31 CO 0.10 0.11 0.24 0.72 0.98 0.00 0.00 173.24 175.38 2ds4 s PHE 32 N -1.12 0.79 -0.19 5.02 -0.71 -0.83 -4.97 117.98 115.96 2ds4 s PHE 32 Ca 0.10 -1.09 -0.05 0.00 -1.04 0.00 0.00 56.93 54.85 2ds4 s PHE 32 Cb -0.10 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 2ds4 s PHE 32 CO 0.05 -0.73 0.00 0.99 -1.34 0.00 0.00 175.22 174.19 2ds4 s THR 33 N -4.08 4.05 -0.51 -4.49 2.01 -1.18 -3.13 115.64 108.31 2ds4 s THR 33 Ca 0.29 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 2ds4 s THR 33 Cb 0.04 -2.82 0.07 0.00 0.01 0.00 0.00 72.50 69.81 2ds4 s THR 33 CO 0.08 0.44 0.56 -0.22 -0.69 0.00 0.00 174.62 174.80 2ds4 s LEU 34 N 0.79 5.25 0.10 4.42 2.96 -1.24 -0.94 118.68 130.01 2ds4 s LEU 34 Ca 0.00 -1.12 -0.28 0.00 -0.22 0.00 0.00 54.13 52.51 2ds4 s LEU 34 Cb -0.14 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 2ds4 s LEU 34 CO 0.02 -0.84 0.90 -0.76 -1.32 0.00 0.00 176.35 174.35 2ds4 s LEU 35 N 2.31 4.50 -0.20 -0.68 1.43 -1.07 -3.25 118.68 121.72 2ds4 s LEU 35 Ca 0.11 1.70 -0.05 0.00 -1.03 0.00 0.00 54.13 54.86 2ds4 s LEU 35 Cb -0.22 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2ds4 s LEU 35 CO 0.09 -0.03 0.01 0.00 0.23 0.00 0.00 176.35 176.66 2ds4 s LYS 37 N 0.89 2.13 0.44 0.00 3.01 -1.26 -3.78 119.74 121.18 2ds4 s LYS 37 Ca 0.01 -2.28 0.06 0.00 -1.01 0.00 0.00 55.97 52.75 2ds4 s LYS 37 Cb -0.14 -1.60 0.06 0.00 -1.01 0.00 0.00 37.83 35.14 2ds4 s LYS 37 CO 0.02 -0.27 0.53 -0.40 0.51 0.00 0.00 175.35 175.74 2ds4 n ASP 38 N -1.20 1.85 -0.01 2.83 5.75 -0.43 -2.57 116.55 122.77 2ds4 n ASP 38 Ca -0.14 -2.28 0.14 0.00 -0.01 0.00 0.00 54.79 52.50 2ds4 n ASP 38 Cb 0.67 -0.24 0.57 0.00 -1.03 0.00 0.00 41.12 41.09 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 0.34 2.15 -0.04 2.12 0.00 -1.90 0.36 119.26 122.29 2ds4 h ALA 39 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ds4 h ALA 39 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ds4 h ALA 39 CO 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2ds4 n ALA 40 N -2.56 2.57 -2.36 0.00 0.00 -1.26 -4.87 120.51 112.03 2ds4 n ALA 40 Ca 0.08 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 2ds4 n ALA 40 Cb 0.39 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.81 -0.28 3.55 0.00 0.00 0.13 -5.01 105.19 104.38 2ds4 n GLY 41 Ca 0.12 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.86 1.97 0.21 1.61 -1.05 -1.26 -4.81 118.70 110.52 2ds4 s GLU 42 Ca 0.02 -1.41 -0.32 0.00 -0.15 0.00 0.00 54.97 53.12 2ds4 s GLU 42 Cb -0.01 -2.06 -0.11 0.00 -0.44 0.00 0.00 34.13 31.51 2ds4 s GLU 42 CO 0.03 0.40 1.67 0.42 0.95 0.00 0.00 175.26 178.73 2ds4 s ILE 43 N -1.93 2.17 -0.09 1.83 -1.09 -1.26 -1.31 121.20 119.51 2ds4 s ILE 43 Ca 0.26 0.12 0.10 0.00 -2.23 0.00 0.00 60.65 58.91 2ds4 s ILE 43 Cb -0.08 -3.08 -0.14 0.00 -1.58 0.00 0.00 42.46 37.58 2ds4 s ILE 43 CO 0.15 0.01 0.08 1.15 -1.23 0.00 0.00 174.94 175.11 2ds4 n MET 44 N 3.70 1.83 -3.45 2.79 0.00 -1.25 -4.88 117.12 115.87 2ds4 n MET 44 Ca 0.14 -0.03 -0.21 0.00 0.00 0.00 0.00 57.70 57.61 2ds4 n MET 44 Cb 0.36 -1.28 0.06 0.00 0.00 0.00 0.00 33.22 32.36 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 2.22 -0.91 3.24 3.17 0.00 -1.26 -5.02 105.19 106.63 2ds4 n GLY 45 Ca -0.15 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 -5.15 0.99 0.00 1.61 0.52 -1.26 -4.58 118.95 111.08 2ds4 s ARG 46 Ca 0.35 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2ds4 s ARG 46 Cb -0.07 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.71 2ds4 s ARG 46 CO 0.78 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.19 2ds4 n GLY 47 N -0.13 5.31 3.48 -3.53 0.00 -1.26 -3.31 105.19 105.76 2ds4 n GLY 47 Ca -0.09 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 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 3.46 -0.44 3.78 -0.02 0.00 -1.26 -5.01 105.19 105.70 2ds4 n GLY 48 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.81 4.24 -0.44 1.61 1.11 -1.26 -5.11 116.67 113.01 2ds4 s ASP 49 Ca 0.30 -1.49 -0.04 0.00 0.18 0.00 0.00 52.55 51.50 2ds4 s ASP 49 Cb -0.13 0.33 0.12 0.00 1.07 0.00 0.00 42.92 44.30 2ds4 s ASP 49 CO 0.72 -0.84 0.25 0.21 1.18 0.00 0.00 175.17 176.69 2ds4 s ASN 50 N -3.95 5.37 -0.12 0.27 2.47 -1.26 -5.07 114.94 112.65 2ds4 s ASN 50 Ca 0.17 -2.06 -0.05 0.00 0.42 0.00 0.00 52.86 51.35 2ds4 s ASN 50 Cb 0.02 -1.88 -0.04 0.00 -1.45 0.00 0.00 41.25 37.91 2ds4 s ASN 50 CO 0.10 -0.57 0.06 -0.69 -3.72 0.00 0.00 177.10 172.28 2ds4 s VAL 51 N 1.11 4.82 -0.10 -5.21 1.01 -1.26 -1.59 120.40 119.18 2ds4 s VAL 51 Ca 0.08 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2ds4 s VAL 51 Cb -0.23 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2ds4 s VAL 51 CO -0.03 0.58 -0.20 -1.10 0.00 0.00 0.00 175.10 174.35 2ds4 s GLN 52 N -0.68 2.59 -0.20 2.72 -1.52 -0.47 -5.03 119.66 117.08 2ds4 s GLN 52 Ca 0.12 -0.71 -0.01 0.00 -1.95 0.00 0.00 55.36 52.80 2ds4 s GLN 52 Cb -0.12 -2.04 0.06 0.00 -0.22 0.00 0.00 33.01 30.69 2ds4 s GLN 52 CO 0.02 0.08 -0.01 0.08 -0.25 0.00 0.00 175.29 175.22 2ds4 s VAL 53 N 0.58 0.95 -0.07 1.09 1.01 -1.26 -2.86 120.40 119.84 2ds4 s VAL 53 Ca -0.14 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 2ds4 s VAL 53 Cb -0.17 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2ds4 s VAL 53 CO 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 175.10 175.00 2ds4 s ALA 54 N 1.67 0.86 -0.28 5.51 0.00 -0.87 -4.97 121.76 123.68 2ds4 s ALA 54 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 2ds4 s ALA 54 Cb -0.17 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2ds4 s ALA 54 CO -0.07 -0.25 0.02 0.08 0.00 0.00 0.00 175.76 175.54 2ds4 s VAL 55 N 1.45 3.45 -0.12 0.00 1.01 -1.26 -0.11 120.40 124.81 2ds4 s VAL 55 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2ds4 s VAL 55 Cb -0.13 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2ds4 s VAL 55 CO -0.03 0.10 -0.16 -0.69 0.00 0.00 0.00 175.10 174.32 2ds4 s VAL 56 N 1.41 1.59 0.11 2.92 1.01 -1.14 -3.40 120.40 122.90 2ds4 s VAL 56 Ca 0.01 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 2ds4 s VAL 56 Cb -0.17 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 2ds4 s VAL 56 CO -0.01 0.46 1.37 -2.16 0.00 0.00 0.00 175.10 174.76 2ds4 s PRO 57 N 1.09 4.33 0.57 2.72 0.04 -1.25 -1.70 135.00 140.80 2ds4 s PRO 57 Ca -0.04 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.30 2ds4 s PRO 57 Cb -0.14 -3.26 1.67 0.00 0.04 0.00 0.00 34.50 32.80 2ds4 s PRO 57 CO -0.04 -0.41 2.22 -0.22 0.04 0.00 0.00 177.00 178.59 2ds4 h LYS 58 N 6.78 0.00 0.08 4.56 3.64 -1.71 -2.55 116.57 127.38 2ds4 h LYS 58 Ca -0.42 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2ds4 h LYS 58 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2ds4 h LYS 58 CO 0.86 0.00 -0.04 0.22 -2.27 0.00 0.00 179.45 178.22 2ds4 h ASP 59 N 0.00 -0.10 -3.36 4.20 3.58 -1.91 -3.43 116.42 115.41 2ds4 h ASP 59 Ca 0.01 -0.41 -0.66 0.00 0.42 0.00 0.00 57.03 56.39 2ds4 h ASP 59 Cb 0.03 0.02 -0.28 0.00 1.72 0.00 0.00 39.33 40.82 2ds4 h ASP 59 CO -0.00 0.38 -0.74 -0.54 -2.88 0.00 0.00 179.24 175.47 2ds4 s LYS 60 N -4.17 3.36 0.22 0.28 -0.14 -0.96 -4.99 119.74 113.34 2ds4 s LYS 60 Ca -0.15 -0.64 0.07 0.00 -1.36 0.00 0.00 55.97 53.89 2ds4 s LYS 60 Cb 0.01 -2.93 0.17 0.00 -1.68 0.00 0.00 37.83 33.40 2ds4 s LYS 60 CO 0.61 -0.13 1.50 0.87 -0.76 0.00 0.00 175.35 177.44 2ds4 h LYS 61 N 7.86 0.09 0.00 1.68 1.57 -1.84 -3.35 116.57 122.59 2ds4 h LYS 61 Ca -0.39 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2ds4 h LYS 61 Cb 1.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2ds4 h LYS 61 CO 0.60 0.78 -0.23 0.22 -0.57 0.00 0.00 179.45 180.26 2ds4 h ASP 62 N 0.06 0.00 0.00 0.86 3.58 -1.94 -3.46 116.42 115.53 2ds4 h ASP 62 Ca -0.02 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.14 2ds4 h ASP 62 Cb 1.29 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.28 2ds4 h ASP 62 CO 0.10 0.43 1.23 -0.24 -2.88 0.00 0.00 179.24 177.88 2ds4 n SER 63 N -3.74 -0.22 -2.71 2.28 2.88 -1.26 -4.85 113.62 106.00 2ds4 n SER 63 Ca -0.03 -0.05 -0.06 0.00 -1.33 0.00 0.00 58.87 57.40 2ds4 n SER 63 Cb 0.12 -0.52 0.05 0.00 -0.75 0.00 0.00 64.21 63.11 2ds4 n SER 63 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ds4 n PRO 64 N 4.92 -1.43 -3.67 -1.46 -0.04 -1.26 -4.36 135.00 127.70 2ds4 n PRO 64 Ca 0.44 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2ds4 n PRO 64 Cb 0.05 -0.31 -0.13 0.00 -0.04 0.00 0.00 33.50 33.06 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 -1.38 -0.37 0.30 0.52 1.01 -1.22 -4.89 120.40 114.38 2ds4 s VAL 65 Ca 0.14 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2ds4 s VAL 65 Cb -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 36.38 35.81 2ds4 s VAL 65 CO 0.10 0.11 1.41 -2.11 0.00 0.00 0.00 175.10 174.62 2ds4 n ARG 66 N 5.22 2.28 -3.98 2.72 1.85 -1.26 -4.61 116.66 118.88 2ds4 n ARG 66 Ca -0.08 0.81 -0.09 0.00 -1.00 0.00 0.00 57.85 57.49 2ds4 n ARG 66 Cb 0.50 -2.47 -0.11 0.00 -1.05 0.00 0.00 32.46 29.33 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 -0.55 0.13 -0.04 8.89 -4.23 -1.26 -3.78 115.64 114.79 2ds4 s THR 67 Ca 0.61 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 2ds4 s THR 67 Cb -0.57 -0.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2ds4 s THR 67 CO 0.56 -0.57 -0.20 -0.32 -0.54 0.00 0.00 174.62 173.54 2ds4 s MET 68 N -1.87 1.97 -0.45 3.99 1.75 0.36 -4.99 119.30 120.06 2ds4 s MET 68 Ca -0.12 -0.73 0.02 0.00 -1.25 0.00 0.00 55.69 53.61 2ds4 s MET 68 Cb -0.07 -1.75 0.15 0.00 2.84 0.00 0.00 34.83 36.01 2ds4 s MET 68 CO -0.02 0.34 0.29 0.08 -0.65 0.00 0.00 175.02 175.06 2ds4 s VAL 69 N -0.17 1.06 -1.02 10.11 1.01 -1.26 -2.14 120.40 127.99 2ds4 s VAL 69 Ca -0.00 -2.62 -0.22 0.00 0.00 0.00 0.00 61.98 59.14 2ds4 s VAL 69 Cb -0.11 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.60 2ds4 s VAL 69 CO 0.02 -1.02 1.40 -1.58 0.00 0.00 0.00 175.10 173.92 2ds4 s GLN 70 N 0.20 3.62 -0.05 2.72 0.74 -0.60 -4.97 119.66 121.32 2ds4 s GLN 70 Ca 0.22 -1.31 -0.30 0.00 0.05 0.00 0.00 55.36 54.03 2ds4 s GLN 70 Cb -0.14 -5.28 -0.07 0.00 1.10 0.00 0.00 33.01 28.62 2ds4 s GLN 70 CO -0.07 -2.12 1.82 0.34 -0.55 0.00 0.00 175.29 174.72 2ds4 s ASP 71 N 4.65 6.46 -0.17 6.67 -1.08 -1.26 -3.41 116.67 128.53 2ds4 s ASP 71 Ca 0.44 2.33 0.15 0.00 -0.52 0.00 0.00 52.55 54.95 2ds4 s ASP 71 Cb -0.01 -2.53 -0.21 0.00 -1.46 0.00 0.00 42.92 38.71 2ds4 s ASP 71 CO -0.09 -1.09 0.06 0.59 0.52 0.00 0.00 175.17 175.16 2ds4 n ASN 72 N 7.78 0.85 -2.61 -0.34 3.02 -1.26 -5.00 115.26 117.69 2ds4 n ASN 72 Ca 0.19 -0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.54 2ds4 n ASN 72 Cb 0.42 0.91 0.01 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.63 -3.29 -0.93 3.52 4.01 -1.26 -4.89 118.16 112.70 2ds4 n LYS 73 Ca -0.27 0.92 -0.02 0.00 -0.51 0.00 0.00 58.31 58.43 2ds4 n LYS 73 Cb 1.05 -5.62 0.17 0.00 -0.51 0.00 0.00 35.03 30.11 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 -2.10 2.53 0.00 4.39 2.03 -1.26 -4.23 116.55 117.91 2ds4 n ASP 74 Ca -0.17 -3.86 0.00 0.00 0.52 0.00 0.00 54.79 51.28 2ds4 n ASP 74 Cb 0.65 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -1.03 2.88 3.42 0.27 0.00 -1.21 -4.74 105.19 104.78 2ds4 n GLY 75 Ca 0.26 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.24 1.26 0.35 2.61 -4.23 -1.26 -3.46 115.64 108.67 2ds4 s THR 76 Ca 0.00 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 2ds4 s THR 76 Cb 0.00 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.13 2ds4 s THR 76 CO 0.00 -0.12 0.05 -0.31 -0.54 0.00 0.00 174.62 173.71 2ds4 s TYR 77 N -3.26 2.03 -0.31 3.99 1.51 -1.20 -4.15 117.35 115.97 2ds4 s TYR 77 Ca 0.34 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2ds4 s TYR 77 Cb 0.07 -1.36 0.10 0.00 -0.11 0.00 0.00 41.96 40.66 2ds4 s TYR 77 CO 0.14 0.06 0.08 -0.47 -1.11 0.00 0.00 175.55 174.25 2ds4 s TYR 78 N -3.19 2.05 -0.09 2.71 5.04 -1.22 -3.68 117.35 118.98 2ds4 s TYR 78 Ca 0.34 -1.93 -0.02 0.00 -2.44 0.00 0.00 57.07 53.03 2ds4 s TYR 78 Cb 0.08 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.46 2ds4 s TYR 78 CO 0.15 -0.88 -0.01 0.42 -1.34 0.00 0.00 175.55 173.89 2ds4 s ILE 79 N 1.50 4.18 -0.07 3.14 1.01 -1.18 -1.56 121.20 128.21 2ds4 s ILE 79 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 2ds4 s ILE 79 Cb -0.18 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.58 2ds4 s ILE 79 CO -0.22 0.59 0.16 -0.94 0.00 0.00 0.00 174.94 174.54 2ds4 s SER 80 N -0.74 -0.14 0.04 3.58 1.04 -0.91 -1.97 113.70 114.61 2ds4 s SER 80 Ca 0.11 0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.90 2ds4 s SER 80 Cb -0.11 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2ds4 s SER 80 CO 0.02 -0.15 -0.07 -0.72 0.98 0.00 0.00 173.24 173.30 2ds4 s TYR 81 N 1.19 0.61 -0.11 5.02 -0.85 -0.60 -0.49 117.35 122.13 2ds4 s TYR 81 Ca -0.09 -0.53 -0.02 0.00 -0.52 0.00 0.00 57.07 55.90 2ds4 s TYR 81 Cb -0.11 -0.37 0.04 0.00 0.38 0.00 0.00 41.96 41.89 2ds4 s TYR 81 CO -0.06 -0.11 0.03 0.99 -1.52 0.00 0.00 175.55 174.88 2ds4 s THR 82 N -1.53 0.26 0.32 -3.49 2.01 -1.25 -1.02 115.64 110.95 2ds4 s THR 82 Ca -0.10 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 2ds4 s THR 82 Cb -0.09 -0.59 -0.10 0.00 0.01 0.00 0.00 72.50 71.73 2ds4 s THR 82 CO -0.00 0.05 1.22 -2.16 -0.69 0.00 0.00 174.62 173.05 2ds4 s PRO 83 N 2.01 4.44 -0.05 4.92 0.04 -1.25 -4.58 135.00 140.52 2ds4 s PRO 83 Ca 0.03 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2ds4 s PRO 83 Cb -0.14 -3.09 -0.26 0.00 0.04 0.00 0.00 34.50 31.06 2ds4 s PRO 83 CO -0.06 -0.05 0.66 0.87 0.04 0.00 0.00 177.00 178.45 2ds4 h LYS 84 N 3.48 0.18 -5.35 4.56 1.79 -1.94 0.16 116.57 119.45 2ds4 h LYS 84 Ca -0.48 -0.31 -0.41 0.00 -2.18 0.00 0.00 60.65 57.27 2ds4 h LYS 84 Cb 1.22 0.12 -0.21 0.00 -1.58 0.00 0.00 32.23 31.78 2ds4 h LYS 84 CO 0.66 0.97 -0.77 -1.21 -1.08 0.00 0.00 179.45 178.02 2ds4 s GLU 85 N -2.59 0.86 0.68 3.15 2.02 -1.26 -4.57 118.70 116.98 2ds4 s GLU 85 Ca -0.12 -1.02 -0.14 0.00 0.02 0.00 0.00 54.97 53.71 2ds4 s GLU 85 Cb 0.07 -0.84 0.01 0.00 0.10 0.00 0.00 34.13 33.47 2ds4 s GLU 85 CO 0.82 0.18 1.11 -1.25 0.02 0.00 0.00 175.26 176.14 2ds4 s PRO 86 N -1.97 2.72 0.00 0.39 0.04 -1.26 -4.93 135.00 129.98 2ds4 s PRO 86 Ca 0.01 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2ds4 s PRO 86 Cb -0.09 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ds4 s PRO 86 CO 0.02 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2ds4 n GLY 87 N -0.62 0.89 3.81 0.56 0.00 -1.01 -4.97 105.19 103.86 2ds4 n GLY 87 Ca 0.10 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.46 4.63 0.17 1.61 0.11 -1.26 -0.18 120.40 124.01 2ds4 s VAL 88 Ca 0.00 1.28 0.03 0.00 -2.93 0.00 0.00 61.98 60.36 2ds4 s VAL 88 Cb 0.00 -3.91 -0.05 0.00 -1.53 0.00 0.00 36.38 30.89 2ds4 s VAL 88 CO 0.00 0.40 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.82 2ds4 s TYR 89 N -1.29 1.27 -0.29 1.54 1.51 0.15 -1.89 117.35 118.35 2ds4 s TYR 89 Ca 0.36 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2ds4 s TYR 89 Cb -0.19 -0.70 0.08 0.00 -0.11 0.00 0.00 41.96 41.04 2ds4 s TYR 89 CO 0.21 -0.06 0.01 0.99 -1.11 0.00 0.00 175.55 175.59 2ds4 s THR 90 N -3.48 1.75 -0.58 -0.71 2.01 -0.69 -0.31 115.64 113.63 2ds4 s THR 90 Ca 0.21 -1.72 -0.28 0.00 0.31 0.00 0.00 61.69 60.22 2ds4 s THR 90 Cb 0.05 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.43 2ds4 s THR 90 CO 0.03 -0.39 1.18 -0.69 -0.69 0.00 0.00 174.62 174.06 2ds4 s VAL 91 N 1.22 4.03 -0.55 3.82 1.01 -0.70 -2.87 120.40 126.36 2ds4 s VAL 91 Ca 0.03 0.85 -0.25 0.00 0.00 0.00 0.00 61.98 62.61 2ds4 s VAL 91 Cb -0.19 -4.72 0.04 0.00 0.00 0.00 0.00 36.38 31.51 2ds4 s VAL 91 CO -0.10 -1.34 0.97 0.26 0.00 0.00 0.00 175.10 174.89 2ds4 s TRP 92 N 4.91 2.77 -0.30 5.22 0.52 0.84 -3.14 118.94 129.76 2ds4 s TRP 92 Ca 0.42 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.63 2ds4 s TRP 92 Cb -0.08 -4.13 0.08 0.00 -1.15 0.00 0.00 33.47 28.19 2ds4 s TRP 92 CO 0.25 -1.37 -0.03 0.08 0.02 0.00 0.00 176.95 175.89 2ds4 s VAL 93 N 4.07 2.29 0.03 4.03 1.01 -1.26 -2.05 120.40 128.53 2ds4 s VAL 93 Ca 0.32 -1.93 0.02 0.00 0.00 0.00 0.00 61.98 60.40 2ds4 s VAL 93 Cb -0.12 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2ds4 s VAL 93 CO 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 175.10 174.94 2ds4 s ILE 95 N -1.03 1.68 -1.35 0.00 1.01 0.88 -1.36 121.20 121.04 2ds4 s ILE 95 Ca -0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 2ds4 s ILE 95 Cb -0.08 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.92 2ds4 s ILE 95 CO 0.00 0.48 1.06 0.29 0.00 0.00 0.00 174.94 176.77 2ds4 n LYS 96 N 3.81 -6.94 -3.48 2.79 5.02 -0.62 -2.14 118.16 116.60 2ds4 n LYS 96 Ca -0.20 0.77 -0.20 0.00 -2.02 0.00 0.00 58.31 56.66 2ds4 n LYS 96 Cb 0.52 -5.75 0.08 0.00 -0.02 0.00 0.00 35.03 29.86 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 -4.67 -7.12 -3.68 1.97 1.02 -1.26 -5.01 120.64 101.90 2ds4 n GLU 97 Ca -0.09 0.80 -0.09 0.00 -0.02 0.00 0.00 57.16 57.76 2ds4 n GLU 97 Cb 0.59 -5.72 -0.10 0.00 -0.02 0.00 0.00 31.44 26.19 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 -5.88 0.44 -0.15 3.49 -0.21 -0.91 -5.12 119.66 111.32 2ds4 s GLN 98 Ca 0.34 0.94 -0.29 0.00 0.02 0.00 0.00 55.36 56.37 2ds4 s GLN 98 Cb -0.15 0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 2ds4 s GLN 98 CO 0.70 -0.18 1.61 -3.38 -2.12 0.00 0.00 175.29 171.92 2ds4 s HIS 99 N 1.75 2.10 1.16 0.91 -3.43 -1.26 -0.08 115.29 116.44 2ds4 s HIS 99 Ca -0.08 0.44 -0.19 0.00 -0.80 0.00 0.00 55.06 54.43 2ds4 s HIS 99 Cb -0.09 -3.91 0.29 0.00 -1.43 0.00 0.00 32.58 27.45 2ds4 s HIS 99 CO -0.14 -3.23 0.89 1.33 -2.00 0.00 0.00 174.74 171.58 2ds4 n VAL 100 N 5.95 0.00 -2.23 -5.38 0.24 -1.18 -4.57 118.33 111.16 2ds4 n VAL 100 Ca 0.18 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 2ds4 n VAL 100 Cb 0.44 -1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -5.05 3.55 -1.45 7.34 0.74 -1.16 -3.37 119.66 120.26 2ds4 s GLN 101 Ca 0.61 1.74 -0.09 0.00 0.05 0.00 0.00 55.36 57.66 2ds4 s GLN 101 Cb -0.08 -2.23 0.05 0.00 1.10 0.00 0.00 33.01 31.86 2ds4 s GLN 101 CO 0.48 -0.72 0.93 0.41 -0.55 0.00 0.00 175.29 175.84 2ds4 n GLY 102 N 0.36 -0.44 3.54 2.59 0.00 -1.26 -4.83 105.19 105.14 2ds4 n GLY 102 Ca 0.09 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.62 -0.56 0.85 1.61 0.01 -1.22 -4.41 113.70 106.36 2ds4 s SER 103 Ca 0.46 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 58.19 2ds4 s SER 103 Cb -0.23 0.46 0.10 0.00 0.21 0.00 0.00 66.02 66.57 2ds4 s SER 103 CO 0.81 -0.53 1.09 -2.16 0.41 0.00 0.00 173.24 172.86 2ds4 s PRO 104 N -1.27 1.59 0.06 12.44 0.04 -1.26 -4.57 135.00 142.03 2ds4 s PRO 104 Ca -0.07 0.94 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2ds4 s PRO 104 Cb -0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2ds4 s PRO 104 CO 0.06 -2.04 -0.13 -0.59 0.04 0.00 0.00 177.00 174.34 2ds4 s PHE 105 N -2.92 1.15 0.26 0.56 -0.12 -1.19 -5.00 117.98 110.71 2ds4 s PHE 105 Ca 0.63 -0.42 -0.16 0.00 -0.05 0.00 0.00 56.93 56.93 2ds4 s PHE 105 Cb -0.18 -0.66 -0.08 0.00 -0.63 0.00 0.00 43.02 41.47 2ds4 s PHE 105 CO 0.57 0.04 0.69 0.99 -0.05 0.00 0.00 175.22 177.45 2ds4 s THR 106 N -1.13 4.69 -0.04 -4.49 2.01 -1.26 -1.73 115.64 113.69 2ds4 s THR 106 Ca -0.02 0.99 0.02 0.00 0.31 0.00 0.00 61.69 63.00 2ds4 s THR 106 Cb -0.09 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2ds4 s THR 106 CO 0.02 0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.16 2ds4 s VAL 107 N -1.76 0.90 -0.32 3.82 1.01 0.58 -4.57 120.40 120.06 2ds4 s VAL 107 Ca 0.48 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2ds4 s VAL 107 Cb -0.13 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2ds4 s VAL 107 CO 0.19 0.29 0.20 -0.89 0.00 0.00 0.00 175.10 174.90 2ds4 s THR 108 N 0.50 5.09 -0.10 3.92 2.01 0.79 0.29 115.64 128.14 2ds4 s THR 108 Ca -0.09 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 2ds4 s THR 108 Cb -0.13 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2ds4 s THR 108 CO 0.02 0.07 0.38 -0.69 -0.69 0.00 0.00 174.62 173.71 2ds4 s VAL 109 N 1.70 5.19 0.28 3.82 1.01 0.75 -0.97 120.40 132.18 2ds4 s VAL 109 Ca 0.06 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.82 2ds4 s VAL 109 Cb -0.17 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ds4 s VAL 109 CO 0.09 0.44 0.29 0.54 0.00 0.00 0.00 175.10 176.46 2ds4 n ARG 110 N 3.01 0.96 -3.63 2.72 5.12 -0.11 -2.42 116.66 122.32 2ds4 n ARG 110 Ca -0.11 -1.65 -0.39 0.00 -1.93 0.00 0.00 57.85 53.76 2ds4 n ARG 110 Cb 0.52 0.05 -0.11 0.00 -1.16 0.00 0.00 32.46 31.75 2ds4 n ARG 110 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2ds4 s ARG 111 N -3.22 3.27 0.64 5.56 1.70 -1.26 0.71 118.95 126.36 2ds4 s ARG 111 Ca 0.22 -0.77 -0.17 0.00 -0.47 0.00 0.00 55.73 54.54 2ds4 s ARG 111 Cb -0.02 -3.62 -0.10 0.00 -0.57 0.00 0.00 34.95 30.64 2ds4 s ARG 111 CO 0.14 -0.47 0.19 1.17 -1.08 0.00 0.00 175.30 175.25 2ds4 n LYS 112 N 5.00 0.23 0.00 3.89 3.00 -1.26 -4.87 118.16 124.15 2ds4 n LYS 112 Ca -0.13 0.10 0.14 0.00 -0.00 0.00 0.00 58.31 58.42 2ds4 n LYS 112 Cb 0.49 -1.45 0.60 0.00 0.00 0.00 0.00 35.03 34.67 2ds4 n LYS 112 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98