#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgq n SER 32 N 0.00 0.57 -4.73 1.61 3.41 -1.26 -5.03 113.62 108.19 2dgq n SER 32 Ca 0.00 0.08 -0.41 0.00 -0.26 0.00 0.00 58.87 58.28 2dgq n SER 32 Cb 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2dgq n SER 32 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dgq s SER 33 N -5.52 7.05 0.10 4.04 0.01 -1.26 -4.93 113.70 113.18 2dgq s SER 33 Ca -0.03 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.46 2dgq s SER 33 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dgq s SER 33 CO 0.05 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dgq n GLY 34 N 2.39 -0.06 3.62 3.44 0.00 -1.26 -5.03 105.19 108.29 2dgq n GLY 34 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2dgq n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dgq s SER 35 N -5.49 6.45 0.60 1.61 0.15 -1.26 -5.07 113.70 110.69 2dgq s SER 35 Ca 0.00 0.55 0.06 0.00 0.70 0.00 0.00 55.95 57.25 2dgq s SER 35 Cb 0.00 -2.28 0.08 0.00 -1.71 0.00 0.00 66.02 62.11 2dgq s SER 35 CO 0.00 -0.27 0.82 -0.94 1.20 0.00 0.00 173.24 174.05 2dgq s SER 36 N 1.48 4.97 0.70 5.45 1.04 -1.26 -5.11 113.70 120.97 2dgq s SER 36 Ca 0.22 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2dgq s SER 36 Cb -0.16 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2dgq s SER 36 CO 0.09 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.52 2dgq n GLY 37 N -2.37 -3.05 3.75 7.32 0.00 -1.26 -4.92 105.19 104.66 2dgq n GLY 37 Ca 0.14 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2dgq n GLY 37 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dgq n VAL 38 N -2.18 2.74 -2.07 1.61 0.24 -1.26 -4.89 118.33 112.53 2dgq n VAL 38 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 2dgq n VAL 38 Cb 0.00 -1.79 -0.03 0.00 -1.47 0.00 0.00 33.84 30.55 2dgq n VAL 38 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dgq s PRO 39 N -2.39 3.11 -0.16 7.34 0.04 -1.26 -4.98 135.00 136.69 2dgq s PRO 39 Ca 0.61 1.05 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 2dgq s PRO 39 Cb -0.46 -4.24 -0.02 0.00 0.04 0.00 0.00 34.50 29.82 2dgq s PRO 39 CO 0.58 -2.13 -0.07 0.00 0.04 0.00 0.00 177.00 175.41 2dgq s MET 40 N 6.05 3.48 0.43 4.56 0.23 -1.26 -5.12 119.30 127.67 2dgq s MET 40 Ca 0.72 -0.61 0.06 0.00 -1.03 0.00 0.00 55.69 54.82 2dgq s MET 40 Cb -0.17 -2.83 0.06 0.00 -1.53 0.00 0.00 34.83 30.35 2dgq s MET 40 CO 0.29 0.10 0.47 0.36 -2.03 0.00 0.00 175.02 174.21 2dgq n LYS 41 N 3.90 0.78 -3.65 3.16 2.85 -1.26 -4.83 118.16 119.11 2dgq n LYS 41 Ca -0.18 -2.45 -0.37 0.00 -1.05 0.00 0.00 58.31 54.26 2dgq n LYS 41 Cb 0.52 0.03 -0.06 0.00 -0.65 0.00 0.00 35.03 34.86 2dgq n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2dgq s ASP 42 N -3.58 6.56 0.41 -5.58 1.11 -1.07 -4.97 116.67 109.55 2dgq s ASP 42 Ca 0.36 0.66 0.19 0.00 0.18 0.00 0.00 52.55 53.94 2dgq s ASP 42 Cb -0.03 -2.17 1.12 0.00 1.07 0.00 0.00 42.92 42.92 2dgq s ASP 42 CO 0.23 0.30 1.79 1.12 1.18 0.00 0.00 175.17 179.78 2dgq h HIS 43 N 5.32 0.60 -0.50 4.23 2.07 -1.99 0.31 115.15 125.18 2dgq h HIS 43 Ca -0.50 0.02 -0.28 0.00 -2.85 0.00 0.00 60.37 56.75 2dgq h HIS 43 Cb 1.21 -0.18 -0.17 0.00 2.57 0.00 0.00 27.41 30.84 2dgq h HIS 43 CO 0.70 0.07 0.00 -0.40 -3.07 0.00 0.00 177.93 175.23 2dgq n ASP 44 N -4.58 3.13 -3.74 3.10 5.75 -1.26 -5.03 116.55 113.91 2dgq n ASP 44 Ca 0.24 -3.78 -0.30 0.00 -0.01 0.00 0.00 54.79 50.95 2dgq n ASP 44 Cb 0.87 -0.66 0.25 0.00 -1.03 0.00 0.00 41.12 40.55 2dgq n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dgq s ALA 45 N -3.33 0.25 0.13 2.12 0.00 0.11 -4.85 121.76 116.20 2dgq s ALA 45 Ca 0.48 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2dgq s ALA 45 Cb 0.42 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2dgq s ALA 45 CO 0.01 -3.84 -0.05 0.42 0.00 0.00 0.00 175.76 172.30 2dgq s ILE 46 N -2.82 0.80 -0.31 0.00 1.01 -1.26 -5.02 121.20 113.61 2dgq s ILE 46 Ca 0.70 -1.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.36 2dgq s ILE 46 Cb -0.11 -1.87 0.06 0.00 0.01 0.00 0.00 42.46 40.55 2dgq s ILE 46 CO 0.57 -0.71 0.01 -0.75 0.00 0.00 0.00 174.94 174.06 2dgq s LYS 47 N -3.84 2.32 0.20 2.79 2.20 -1.26 -4.14 119.74 118.01 2dgq s LYS 47 Ca 0.17 -1.36 -0.27 0.00 -0.36 0.00 0.00 55.97 54.14 2dgq s LYS 47 Cb 0.05 -3.19 -0.08 0.00 -1.51 0.00 0.00 37.83 33.09 2dgq s LYS 47 CO -0.01 -0.68 0.85 -0.51 -0.36 0.00 0.00 175.35 174.65 2dgq s LEU 48 N 1.21 4.62 -0.11 5.43 1.43 0.11 0.17 118.68 131.54 2dgq s LEU 48 Ca -0.03 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 2dgq s LEU 48 Cb -0.20 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2dgq s LEU 48 CO -0.02 0.18 -0.16 0.12 0.23 0.00 0.00 176.35 176.70 2dgq s PHE 49 N -1.17 2.03 -0.11 0.29 2.19 0.91 0.38 117.98 122.50 2dgq s PHE 49 Ca 0.38 -0.93 -0.05 0.00 0.33 0.00 0.00 56.93 56.66 2dgq s PHE 49 Cb -0.24 -1.44 -0.04 0.00 -1.31 0.00 0.00 43.02 39.98 2dgq s PHE 49 CO 0.29 -0.46 0.07 0.08 1.83 0.00 0.00 175.22 177.03 2dgq s VAL 50 N 0.89 4.93 -0.12 3.12 1.01 -0.15 -2.10 120.40 127.98 2dgq s VAL 50 Ca -0.08 -0.01 0.18 0.00 0.00 0.00 0.00 61.98 62.06 2dgq s VAL 50 Cb -0.15 -3.13 0.42 0.00 0.00 0.00 0.00 36.38 33.52 2dgq s VAL 50 CO -0.00 0.60 1.20 0.61 0.00 0.00 0.00 175.10 177.50 2dgq n GLY 51 N 2.18 3.31 2.55 4.51 0.00 -0.84 -1.83 105.19 115.07 2dgq n GLY 51 Ca -0.19 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2dgq n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dgq n GLN 52 N -0.41 2.39 -3.57 1.61 -0.06 -1.26 -4.82 117.38 111.27 2dgq n GLN 52 Ca 0.13 -3.75 -0.40 0.00 -2.00 0.00 0.00 57.00 50.98 2dgq n GLN 52 Cb 0.89 -1.84 -0.11 0.00 -4.06 0.00 0.00 30.24 25.12 2dgq n GLN 52 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2dgq s ILE 53 N -4.09 4.96 0.00 1.69 1.01 -1.26 -4.87 121.20 118.65 2dgq s ILE 53 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2dgq s ILE 53 Cb 0.36 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2dgq s ILE 53 CO -0.01 -0.07 0.00 -0.81 0.00 0.00 0.00 174.94 174.04 2dgq n PRO 54 N 5.06 0.16 -4.44 2.79 -0.04 -1.26 -4.34 135.00 132.93 2dgq n PRO 54 Ca -0.13 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.99 2dgq n PRO 54 Cb 0.48 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 2dgq n PRO 54 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2dgq s ARG 55 N -1.25 3.16 0.00 0.54 1.70 -1.26 -4.51 118.95 117.34 2dgq s ARG 55 Ca 0.00 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 2dgq s ARG 55 Cb 0.00 -2.79 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 2dgq s ARG 55 CO 0.00 0.54 0.00 0.41 -1.08 0.00 0.00 175.30 175.17 2dgq n GLY 56 N 2.63 2.18 3.99 3.88 0.00 -1.26 -5.10 105.19 111.50 2dgq n GLY 56 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2dgq n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dgq s LEU 57 N 0.00 3.67 0.34 0.99 1.43 -1.26 -5.12 118.68 118.73 2dgq s LEU 57 Ca 0.00 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2dgq s LEU 57 Cb 0.00 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 2dgq s LEU 57 CO 0.00 -0.69 0.38 -1.81 0.23 0.00 0.00 176.35 174.46 2dgq s ASP 58 N -4.29 1.37 0.66 2.29 1.01 -1.26 -5.00 116.67 111.45 2dgq s ASP 58 Ca 0.52 -1.65 0.37 0.00 0.71 0.00 0.00 52.55 52.50 2dgq s ASP 58 Cb -0.09 0.61 2.00 0.00 1.01 0.00 0.00 42.92 46.45 2dgq s ASP 58 CO 0.32 -1.19 2.15 -0.33 0.21 0.00 0.00 175.17 176.33 2dgq h GLU 59 N 2.11 0.00 0.00 8.23 5.08 -1.98 0.29 114.58 128.31 2dgq h GLU 59 Ca -0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2dgq h GLU 59 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2dgq h GLU 59 CO 0.37 0.00 -0.24 -0.56 -1.00 0.00 0.00 179.01 177.58 2dgq h GLN 60 N 0.00 0.00 0.00 2.33 3.07 -1.99 -1.13 115.11 117.39 2dgq h GLN 60 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2dgq h GLN 60 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2dgq h GLN 60 CO -0.00 0.24 -1.04 -3.47 0.09 0.00 0.00 178.83 174.65 2dgq n ASP 61 N -3.23 0.65 -0.06 0.06 2.03 1.00 -4.12 116.55 112.87 2dgq n ASP 61 Ca 0.02 0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.29 2dgq n ASP 61 Cb 0.55 0.68 -0.15 0.00 -0.72 0.00 0.00 41.12 41.48 2dgq n ASP 61 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dgq n LEU 62 N -2.26 0.43 -0.19 -2.67 4.77 -0.98 -4.31 117.00 111.78 2dgq n LEU 62 Ca 0.01 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2dgq n LEU 62 Cb 0.49 0.34 0.08 0.00 -2.33 0.00 0.00 43.42 42.00 2dgq n LEU 62 CO 0.40 0.45 1.01 0.11 -1.33 0.00 0.00 177.39 178.03 2dgq h LYS 63 N 0.00 0.46 -0.68 3.23 1.57 -1.36 -1.83 116.57 117.96 2dgq h LYS 63 Ca -0.42 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.48 2dgq h LYS 63 Cb 2.14 -0.10 -0.12 0.00 0.08 0.00 0.00 32.23 34.22 2dgq h LYS 63 CO 0.05 0.31 -0.00 -1.35 -0.57 0.00 0.00 179.45 177.89 2dgq h PRO 64 N 0.48 0.11 0.21 3.15 0.11 -1.75 0.85 132.00 135.14 2dgq h PRO 64 Ca 0.27 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 2dgq h PRO 64 Cb 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2dgq h PRO 64 CO -0.22 0.07 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.47 2dgq h LEU 65 N 0.11 -0.23 -2.41 2.35 3.38 -1.68 -3.07 115.31 113.75 2dgq h LEU 65 Ca 0.36 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2dgq h LEU 65 Cb 0.61 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dgq h LEU 65 CO -0.59 0.22 0.08 -0.26 0.09 0.00 0.00 178.44 177.98 2dgq h PHE 66 N -0.76 0.00 0.00 1.13 0.04 -0.86 0.25 116.94 116.74 2dgq h PHE 66 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2dgq h PHE 66 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2dgq h PHE 66 CO 0.06 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.16 2dgq n GLU 67 N -3.74 0.82 0.12 1.51 1.02 0.29 -2.91 120.64 117.75 2dgq n GLU 67 Ca -0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2dgq n GLU 67 Cb 0.18 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.19 2dgq n GLU 67 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2dgq h GLU 68 N 0.00 0.00 0.00 3.49 4.81 -0.49 -3.38 114.58 119.01 2dgq h GLU 68 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 2dgq h GLU 68 Cb 0.06 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 2dgq h GLU 68 CO 0.00 0.00 -2.50 1.19 -0.73 0.00 0.00 179.01 176.97 2dgq n PHE 69 N -2.61 0.00 -3.42 0.92 3.72 -1.14 -5.11 117.46 109.82 2dgq n PHE 69 Ca 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2dgq n PHE 69 Cb 0.51 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 38.08 2dgq n PHE 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dgq n GLY 70 N 1.58 1.32 3.66 1.37 0.00 -1.17 -4.94 105.19 107.01 2dgq n GLY 70 Ca -0.51 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2dgq n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dgq s ARG 71 N -2.00 4.26 0.37 1.61 3.52 -1.26 -4.17 118.95 121.29 2dgq s ARG 71 Ca 0.01 1.07 -0.26 0.00 -0.13 0.00 0.00 55.73 56.42 2dgq s ARG 71 Cb -0.00 -3.60 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 2dgq s ARG 71 CO 0.00 -0.43 1.18 0.42 -0.81 0.00 0.00 175.30 175.66 2dgq s ILE 72 N 2.51 3.14 -0.21 4.11 1.01 -1.26 -2.95 121.20 127.54 2dgq s ILE 72 Ca 0.39 1.01 0.11 0.00 0.00 0.00 0.00 60.65 62.15 2dgq s ILE 72 Cb -0.16 -3.59 -0.21 0.00 0.01 0.00 0.00 42.46 38.52 2dgq s ILE 72 CO 0.10 0.14 -0.05 0.00 0.00 0.00 0.00 174.94 175.13 2dgq n TYR 73 N 0.33 0.00 -3.64 3.97 4.19 0.06 -4.73 117.16 117.35 2dgq n TYR 73 Ca 0.03 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.16 2dgq n TYR 73 Cb 0.46 -0.95 -0.07 0.00 0.49 0.00 0.00 39.34 39.27 2dgq n TYR 73 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2dgq s GLU 74 N -2.48 0.67 -0.05 2.98 2.12 -1.14 -4.97 118.70 115.83 2dgq s GLU 74 Ca -0.19 1.02 -0.02 0.00 0.36 0.00 0.00 54.97 56.14 2dgq s GLU 74 Cb 0.07 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.69 2dgq s GLU 74 CO 0.70 -0.12 0.04 -1.17 -0.54 0.00 0.00 175.26 174.17 2dgq s LEU 75 N 1.15 0.29 -0.00 2.70 2.96 -1.26 0.24 118.68 124.76 2dgq s LEU 75 Ca -0.06 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2dgq s LEU 75 Cb -0.05 -0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.41 2dgq s LEU 75 CO -0.13 -0.23 0.01 -0.89 -1.32 0.00 0.00 176.35 173.79 2dgq s THR 76 N 2.10 -0.00 -0.12 3.68 2.01 -0.82 -5.00 115.64 117.48 2dgq s THR 76 Ca 0.05 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 2dgq s THR 76 Cb -0.12 -0.02 -0.05 0.00 0.01 0.00 0.00 72.50 72.32 2dgq s THR 76 CO -0.04 0.01 0.35 -0.69 -0.69 0.00 0.00 174.62 173.56 2dgq s VAL 77 N 0.09 5.24 -0.16 3.82 1.01 -1.26 0.18 120.40 129.32 2dgq s VAL 77 Ca -0.01 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 2dgq s VAL 77 Cb -0.01 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2dgq s VAL 77 CO -0.00 0.42 1.05 -0.76 0.00 0.00 0.00 175.10 175.81 2dgq s LEU 78 N 0.15 4.19 0.28 3.92 1.43 0.03 -4.94 118.68 123.73 2dgq s LEU 78 Ca 0.20 1.50 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 2dgq s LEU 78 Cb -0.14 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 2dgq s LEU 78 CO 0.07 -0.57 -0.04 -0.75 0.23 0.00 0.00 176.35 175.30 2dgq s LYS 79 N 2.60 1.54 1.11 1.70 2.20 -1.26 -3.05 119.74 124.58 2dgq s LYS 79 Ca 0.47 -1.79 -0.18 0.00 -0.36 0.00 0.00 55.97 54.11 2dgq s LYS 79 Cb -0.18 -1.07 0.25 0.00 -1.51 0.00 0.00 37.83 35.33 2dgq s LYS 79 CO 0.13 -0.00 1.19 -0.51 -0.36 0.00 0.00 175.35 175.80 2dgq s ASP 80 N -3.44 1.75 -0.07 1.43 1.01 -1.22 -4.84 116.67 111.31 2dgq s ASP 80 Ca 0.30 0.48 -0.04 0.00 0.71 0.00 0.00 52.55 54.00 2dgq s ASP 80 Cb 0.05 -0.64 -0.03 0.00 1.01 0.00 0.00 42.92 43.31 2dgq s ASP 80 CO 0.12 -3.60 -0.10 0.54 0.21 0.00 0.00 175.17 172.34 2dgq n ARG 81 N -4.38 0.17 -0.01 8.23 5.12 -1.26 -3.64 116.66 120.88 2dgq n ARG 81 Ca 0.14 0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.99 2dgq n ARG 81 Cb 0.59 -0.78 -0.02 0.00 -1.16 0.00 0.00 32.46 31.09 2dgq n ARG 81 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2dgq h LEU 82 N -0.28 0.78 0.00 0.55 4.07 -2.01 -3.34 115.31 115.07 2dgq h LEU 82 Ca -0.17 -0.49 -0.32 0.00 0.08 0.00 0.00 57.88 56.98 2dgq h LEU 82 Cb 1.05 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.50 2dgq h LEU 82 CO -0.10 1.26 -2.22 0.35 -1.08 0.00 0.00 178.44 176.64 2dgq n THR 83 N -3.92 1.22 -1.87 0.22 -2.24 -1.26 -5.00 114.28 101.43 2dgq n THR 83 Ca -0.06 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.87 2dgq n THR 83 Cb 0.70 -0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 2dgq n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dgq n GLY 84 N 2.00 0.65 3.71 3.38 0.00 -1.24 -4.96 105.19 108.73 2dgq n GLY 84 Ca -0.31 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2dgq n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dgq s LEU 85 N -3.99 4.20 -0.55 0.99 1.43 -1.26 -4.55 118.68 114.95 2dgq s LEU 85 Ca 0.00 0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 2dgq s LEU 85 Cb 0.00 -2.32 -0.16 0.00 0.03 0.00 0.00 46.19 43.75 2dgq s LEU 85 CO 0.00 0.08 1.82 1.57 0.23 0.00 0.00 176.35 180.05 2dgq n HIS 86 N 3.82 0.69 -0.11 0.29 -0.00 -1.26 -3.37 115.22 115.28 2dgq n HIS 86 Ca -0.12 0.46 -0.08 0.00 -0.00 0.00 0.00 57.72 57.98 2dgq n HIS 86 Cb 0.52 -1.78 0.00 0.00 -0.00 0.00 0.00 29.99 28.73 2dgq n HIS 86 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2dgq h LYS 87 N 7.87 0.41 0.00 1.57 1.57 -1.86 -3.47 116.57 122.66 2dgq h LYS 87 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2dgq h LYS 87 Cb 1.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dgq h LYS 87 CO 0.93 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 180.50 2dgq n GLY 88 N -1.20 0.65 3.69 3.86 0.00 -1.26 -5.09 105.19 105.83 2dgq n GLY 88 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2dgq n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgq s ALA 90 N -3.23 -1.65 -0.35 0.00 0.00 -0.76 -0.79 121.76 114.98 2dgq s ALA 90 Ca 0.10 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 2dgq s ALA 90 Cb -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2dgq s ALA 90 CO -0.01 -0.40 0.24 -0.06 0.00 0.00 0.00 175.76 175.53 2dgq s PHE 91 N -1.49 3.22 -0.13 0.00 0.08 0.13 -0.98 117.98 118.81 2dgq s PHE 91 Ca -0.10 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.48 2dgq s PHE 91 Cb -0.01 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 2dgq s PHE 91 CO 0.07 -0.45 0.01 -1.17 -0.10 0.00 0.00 175.22 173.58 2dgq s LEU 92 N 1.68 3.59 -0.01 -0.37 2.96 0.16 -1.95 118.68 124.74 2dgq s LEU 92 Ca 0.05 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 2dgq s LEU 92 Cb -0.18 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2dgq s LEU 92 CO 0.09 0.27 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.30 2dgq s THR 93 N -0.24 1.61 -0.05 3.68 2.01 0.14 0.09 115.64 122.88 2dgq s THR 93 Ca 0.06 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2dgq s THR 93 Cb -0.12 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2dgq s THR 93 CO 0.02 0.43 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.97 2dgq s TYR 94 N -0.52 2.86 0.22 4.92 2.02 -1.26 -0.76 117.35 124.83 2dgq s TYR 94 Ca 0.08 -0.04 -0.09 0.00 -0.37 0.00 0.00 57.07 56.65 2dgq s TYR 94 Cb -0.08 -1.67 0.22 0.00 -0.40 0.00 0.00 41.96 40.03 2dgq s TYR 94 CO -0.00 0.30 1.87 0.00 -1.57 0.00 0.00 175.55 176.14 2dgq s ALA 96 N -6.11 2.92 0.07 0.00 0.00 -1.26 -2.59 121.76 114.79 2dgq s ALA 96 Ca -0.13 -1.24 -0.37 0.00 0.00 0.00 0.00 51.96 50.22 2dgq s ALA 96 Cb 0.16 -0.88 -0.19 0.00 0.00 0.00 0.00 23.12 22.21 2dgq s ALA 96 CO 0.78 0.63 1.57 -0.09 0.00 0.00 0.00 175.76 178.65 2dgq h ARG 97 N 3.71 -1.13 -0.72 0.00 2.43 -1.89 -3.06 114.38 113.72 2dgq h ARG 97 Ca -0.49 0.08 0.07 0.00 -0.81 0.00 0.00 59.98 58.83 2dgq h ARG 97 Cb 1.17 0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 30.88 2dgq h ARG 97 CO 0.52 -0.76 -0.49 0.22 -1.51 0.00 0.00 179.97 177.95 2dgq h ASP 98 N -1.18 -1.76 -0.96 -3.80 3.58 -1.98 0.47 116.42 110.80 2dgq h ASP 98 Ca -0.10 0.26 0.39 0.00 0.42 0.00 0.00 57.03 58.00 2dgq h ASP 98 Cb 0.96 0.77 -0.17 0.00 1.72 0.00 0.00 39.33 42.60 2dgq h ASP 98 CO 0.08 -0.23 0.47 -1.20 -2.88 0.00 0.00 179.24 175.47 2dgq n SER 99 N -4.90 0.29 -0.05 2.28 7.64 -1.19 0.11 113.62 117.80 2dgq n SER 99 Ca 0.01 1.59 -0.12 0.00 1.01 0.00 0.00 58.87 61.36 2dgq n SER 99 Cb 0.23 -0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 62.61 2dgq n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dgq h ALA 100 N 1.92 0.21 -0.39 -0.43 0.00 0.01 -2.31 119.26 118.26 2dgq h ALA 100 Ca 0.79 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.49 2dgq h ALA 100 Cb 2.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 2dgq h ALA 100 CO -0.75 -0.02 0.17 -0.07 0.00 0.00 0.00 179.25 178.58 2dgq h LEU 101 N -0.02 0.23 0.14 0.00 3.38 0.16 0.25 115.31 119.46 2dgq h LEU 101 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dgq h LEU 101 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dgq h LEU 101 CO 0.02 0.17 -0.07 0.11 0.09 0.00 0.00 178.44 178.76 2dgq h LYS 102 N 0.36 -0.19 -0.89 1.13 1.57 -1.07 0.18 116.57 117.66 2dgq h LYS 102 Ca 0.17 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.21 2dgq h LYS 102 Cb 0.11 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 2dgq h LYS 102 CO -0.14 -0.13 0.63 0.00 -0.57 0.00 0.00 179.45 179.24 2dgq h ALA 103 N -1.87 2.71 0.50 3.86 0.00 -1.42 1.64 119.26 124.68 2dgq h ALA 103 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2dgq h ALA 103 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dgq h ALA 103 CO 0.03 -0.97 -0.24 0.37 0.00 0.00 0.00 179.25 178.43 2dgq h GLN 104 N 0.08 -0.65 0.00 0.00 4.15 -0.23 -0.53 115.11 117.93 2dgq h GLN 104 Ca 0.43 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.90 2dgq h GLN 104 Cb 1.59 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.43 2dgq h GLN 104 CO -0.04 -0.43 0.00 0.45 -1.93 0.00 0.00 178.83 176.87 2dgq n SER 105 N -4.99 0.00 0.01 -0.69 2.88 0.59 -0.33 113.62 111.08 2dgq n SER 105 Ca -0.08 -0.21 0.11 0.00 -1.33 0.00 0.00 58.87 57.36 2dgq n SER 105 Cb 0.27 -0.25 -0.12 0.00 -0.75 0.00 0.00 64.21 63.35 2dgq n SER 105 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dgq n ALA 106 N -1.25 3.12 -0.05 -1.46 0.00 0.55 -4.60 120.51 116.83 2dgq n ALA 106 Ca 0.14 -0.49 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 2dgq n ALA 106 Cb 0.21 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 2dgq n ALA 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dgq n LEU 107 N -2.17 1.92 -4.35 0.00 4.77 -0.21 -4.60 117.00 112.36 2dgq n LEU 107 Ca -0.02 0.03 -0.54 0.00 -0.03 0.00 0.00 56.01 55.45 2dgq n LEU 107 Cb 0.52 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2dgq n LEU 107 CO 0.44 0.44 1.81 1.57 -1.33 0.00 0.00 177.39 180.33 2dgq n HIS 108 N -3.07 1.27 -3.75 -1.77 -0.00 0.55 0.79 115.22 109.24 2dgq n HIS 108 Ca -0.17 0.53 -0.27 0.00 0.46 0.00 0.00 57.72 58.27 2dgq n HIS 108 Cb 0.65 -2.40 0.05 0.00 -0.12 0.00 0.00 29.99 28.18 2dgq n HIS 108 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2dgq n GLU 109 N 7.90 -6.68 0.00 1.57 1.02 0.70 -4.85 120.64 120.31 2dgq n GLU 109 Ca 0.50 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.36 2dgq n GLU 109 Cb 0.08 -5.67 0.00 0.00 -0.02 0.00 0.00 31.44 25.83 2dgq n GLU 109 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2dgq n GLN 110 N -4.80 0.00 -3.04 3.49 3.00 0.24 -4.98 117.38 111.29 2dgq n GLN 110 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 2dgq n GLN 110 Cb 0.55 -0.51 0.07 0.00 0.00 0.00 0.00 30.24 30.35 2dgq n GLN 110 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2dgq s LYS 111 N -1.78 2.25 -0.26 -1.09 -0.14 -1.11 -4.97 119.74 112.64 2dgq s LYS 111 Ca 0.00 -1.68 -0.02 0.00 -1.36 0.00 0.00 55.97 52.91 2dgq s LYS 111 Cb 0.00 -2.64 0.15 0.00 -1.68 0.00 0.00 37.83 33.67 2dgq s LYS 111 CO 0.00 -0.92 0.45 0.99 -0.76 0.00 0.00 175.35 175.11 2dgq s THR 112 N -2.70 -0.73 0.73 2.17 2.01 -1.26 -1.82 115.64 114.04 2dgq s THR 112 Ca 0.63 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.43 2dgq s THR 112 Cb -0.05 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.61 2dgq s THR 112 CO 0.40 -0.10 1.12 -0.76 -0.69 0.00 0.00 174.62 174.59 2dgq s LEU 113 N 2.64 3.21 -0.14 4.42 1.43 -1.26 -4.94 118.68 124.04 2dgq s LEU 113 Ca 0.15 2.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.98 2dgq s LEU 113 Cb -0.15 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 2dgq s LEU 113 CO -0.19 -2.03 1.56 -2.16 0.23 0.00 0.00 176.35 173.76 2dgq s PRO 114 N -4.37 4.05 0.00 1.29 0.04 -1.26 -2.56 135.00 132.19 2dgq s PRO 114 Ca 0.66 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2dgq s PRO 114 Cb -0.21 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2dgq s PRO 114 CO 0.48 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2dgq n GLY 115 N 4.21 1.80 3.55 0.56 0.00 -1.26 -4.96 105.19 109.08 2dgq n GLY 115 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2dgq n GLY 115 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dgq s MET 116 N -0.52 3.83 0.28 1.61 -1.94 -1.06 -4.98 119.30 116.51 2dgq s MET 116 Ca 0.00 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.61 2dgq s MET 116 Cb 0.00 -3.26 0.39 0.00 2.01 0.00 0.00 34.83 33.97 2dgq s MET 116 CO 0.00 0.06 1.67 -0.91 -0.01 0.00 0.00 175.02 175.84 2dgq h ASN 117 N 7.40 0.35 -2.36 3.03 2.35 -1.98 -3.43 115.58 120.95 2dgq h ASN 117 Ca -0.37 -0.15 -0.46 0.00 -0.55 0.00 0.00 56.30 54.78 2dgq h ASN 117 Cb 1.17 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2dgq h ASN 117 CO 0.64 0.72 -0.31 -0.13 -1.65 0.00 0.00 177.43 176.70 2dgq s ARG 118 N -4.20 3.36 1.22 0.81 3.00 -1.26 -5.10 118.95 116.79 2dgq s ARG 118 Ca -0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 55.73 54.83 2dgq s ARG 118 Cb 0.13 -2.78 0.30 0.00 0.00 0.00 0.00 34.95 32.60 2dgq s ARG 118 CO 0.79 0.22 1.11 -1.25 0.00 0.00 0.00 175.30 176.16 2dgq s PRO 119 N -4.17 -1.40 0.00 3.54 0.04 -1.26 -4.59 135.00 127.17 2dgq s PRO 119 Ca 0.39 -0.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.08 2dgq s PRO 119 Cb -0.09 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 2dgq s PRO 119 CO 0.32 -3.81 0.67 -1.50 0.04 0.00 0.00 177.00 172.72 2dgq s ILE 120 N -3.01 4.86 -0.24 0.56 2.07 -0.76 -4.84 121.20 119.84 2dgq s ILE 120 Ca 0.71 1.40 -0.07 0.00 -1.41 0.00 0.00 60.65 61.29 2dgq s ILE 120 Cb -0.09 -4.01 -0.03 0.00 0.13 0.00 0.00 42.46 38.46 2dgq s ILE 120 CO 0.56 0.38 0.07 -1.10 -1.91 0.00 0.00 174.94 172.94 2dgq s GLN 121 N -0.02 3.68 -0.13 3.50 -0.21 -1.26 -0.21 119.66 125.02 2dgq s GLN 121 Ca 0.34 -0.47 -0.02 0.00 0.02 0.00 0.00 55.36 55.24 2dgq s GLN 121 Cb -0.19 -3.31 0.04 0.00 1.00 0.00 0.00 33.01 30.55 2dgq s GLN 121 CO 0.19 -0.15 0.01 0.08 -2.12 0.00 0.00 175.29 173.31 2dgq s VAL 122 N 1.50 0.49 0.12 1.09 1.01 -1.26 -1.98 120.40 121.37 2dgq s VAL 122 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2dgq s VAL 122 Cb -0.15 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2dgq s VAL 122 CO 0.04 0.07 -0.13 -1.59 0.00 0.00 0.00 175.10 173.49 2dgq s LYS 123 N 1.90 0.98 -0.71 2.72 -2.85 -0.89 -4.58 119.74 116.31 2dgq s LYS 123 Ca 0.03 -1.23 -0.26 0.00 -1.00 0.00 0.00 55.97 53.51 2dgq s LYS 123 Cb -0.14 -0.80 -0.03 0.00 -2.06 0.00 0.00 37.83 34.80 2dgq s LYS 123 CO -0.07 0.15 1.89 -1.25 0.10 0.00 0.00 175.35 176.17 2dgq s PRO 124 N -2.75 2.61 -0.03 1.78 0.04 -1.26 -0.06 135.00 135.33 2dgq s PRO 124 Ca 0.08 0.30 -0.38 0.00 0.04 0.00 0.00 61.00 61.04 2dgq s PRO 124 Cb -0.04 -4.61 -0.17 0.00 0.04 0.00 0.00 34.50 29.71 2dgq s PRO 124 CO 0.02 -2.95 1.41 0.00 0.04 0.00 0.00 177.00 175.52 2dgq n ALA 125 N 13.15 -1.15 -3.57 8.56 0.00 0.44 -4.92 120.51 133.01 2dgq n ALA 125 Ca 0.27 0.50 -0.27 0.00 0.00 0.00 0.00 53.44 53.94 2dgq n ALA 125 Cb 0.50 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 2dgq n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dgq n ALA 126 N 3.09 3.21 -3.62 0.00 0.00 -1.26 -4.51 120.51 117.43 2dgq n ALA 126 Ca 0.21 -3.96 -0.27 0.00 0.00 0.00 0.00 53.44 49.43 2dgq n ALA 126 Cb 0.15 -0.89 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 2dgq n ALA 126 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dgq s SER 127 N -1.09 2.12 -0.07 0.00 0.01 -1.26 -5.00 113.70 108.41 2dgq s SER 127 Ca 0.31 -0.35 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 2dgq s SER 127 Cb 0.04 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 2dgq s SER 127 CO -0.15 -0.00 -0.07 -1.84 0.41 0.00 0.00 173.24 171.59 2dgq n GLU 128 N 4.18 0.16 0.00 12.44 0.28 -1.26 -5.08 120.64 131.36 2dgq n GLU 128 Ca -0.19 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2dgq n GLU 128 Cb 0.51 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.35 2dgq n GLU 128 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dgq n GLY 129 N 3.04 0.37 3.09 -1.84 0.00 -1.26 -5.16 105.19 103.42 2dgq n GLY 129 Ca -0.12 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.24 2dgq n GLY 129 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dgq s ARG 130 N 0.00 0.52 0.00 1.61 6.06 -1.26 -5.11 118.95 120.77 2dgq s ARG 130 Ca 0.00 0.71 0.00 0.00 -2.50 0.00 0.00 55.73 53.94 2dgq s ARG 130 Cb 0.00 0.22 0.00 0.00 0.06 0.00 0.00 34.95 35.23 2dgq s ARG 130 CO 0.00 -0.79 0.00 0.41 -2.50 0.00 0.00 175.30 172.42 2dgq n GLY 131 N 5.41 -0.48 3.78 8.12 0.00 -1.26 -4.59 105.19 116.17 2dgq n GLY 131 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2dgq n GLY 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dgq s GLU 132 N 0.00 4.55 -0.12 1.61 -1.05 -1.26 -5.07 118.70 117.36 2dgq s GLU 132 Ca 0.00 1.15 -0.10 0.00 -0.15 0.00 0.00 54.97 55.86 2dgq s GLU 132 Cb 0.00 -3.20 0.03 0.00 -0.44 0.00 0.00 34.13 30.52 2dgq s GLU 132 CO 0.00 0.54 0.32 0.45 0.95 0.00 0.00 175.26 177.52 2dgq s SER 133 N -1.23 -0.34 -0.36 0.83 0.15 -1.26 -5.02 113.70 106.48 2dgq s SER 133 Ca 0.37 0.65 -0.08 0.00 0.70 0.00 0.00 55.95 57.59 2dgq s SER 133 Cb -0.22 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2dgq s SER 133 CO 0.26 -0.12 0.29 0.61 1.20 0.00 0.00 173.24 175.48 2dgq n GLY 134 N 3.09 -2.80 3.74 9.45 0.00 -1.26 -4.99 105.19 112.43 2dgq n GLY 134 Ca -0.14 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.41 2dgq n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dgq s PRO 135 N -2.08 1.72 0.65 1.61 0.04 -1.26 -5.01 135.00 130.67 2dgq s PRO 135 Ca 0.12 0.98 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 2dgq s PRO 135 Cb -0.03 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2dgq s PRO 135 CO 0.76 -1.96 1.12 -1.12 0.04 0.00 0.00 177.00 175.84 2dgq s SER 136 N -3.41 5.11 -1.12 6.66 0.01 -1.26 -3.55 113.70 116.14 2dgq s SER 136 Ca 0.62 2.07 -0.07 0.00 1.31 0.00 0.00 55.95 59.88 2dgq s SER 136 Cb -0.18 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.50 2dgq s SER 136 CO 0.56 -1.63 0.94 -0.24 0.41 0.00 0.00 173.24 173.29 2dgq n SER 137 N -2.26 -5.58 0.00 2.44 2.88 -1.26 -5.30 113.62 104.55 2dgq n SER 137 Ca 0.11 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 2dgq n SER 137 Cb 0.52 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 2dgq n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42