#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgq s SER 32 N 0.00 4.42 -0.23 1.61 1.04 -1.26 -5.07 113.70 114.21 2dgq s SER 32 Ca 0.00 1.82 -0.17 0.00 0.48 0.00 0.00 55.95 58.08 2dgq s SER 32 Cb 0.00 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.68 2dgq s SER 32 CO 0.00 -2.09 0.59 -0.44 0.98 0.00 0.00 173.24 172.28 2dgq s SER 33 N -3.38 -0.70 0.00 7.02 0.01 -1.26 -5.11 113.70 110.28 2dgq s SER 33 Ca 0.61 1.24 0.00 0.00 1.31 0.00 0.00 55.95 59.11 2dgq s SER 33 Cb -0.17 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.23 2dgq s SER 33 CO 0.56 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2dgq n GLY 34 N 3.59 0.35 3.48 3.44 0.00 -1.26 -5.03 105.19 109.76 2dgq n GLY 34 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2dgq n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgq n SER 35 N -0.42 -5.25 -4.45 1.61 2.88 -1.26 -4.94 113.62 101.78 2dgq n SER 35 Ca 0.00 -0.54 -0.44 0.00 -1.33 0.00 0.00 58.87 56.56 2dgq n SER 35 Cb 0.00 -4.91 -0.05 0.00 -0.75 0.00 0.00 64.21 58.51 2dgq n SER 35 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dgq s SER 36 N -3.55 6.23 0.05 -3.46 0.01 -1.26 -4.98 113.70 106.75 2dgq s SER 36 Ca 0.43 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2dgq s SER 36 Cb -0.19 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2dgq s SER 36 CO 0.70 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dgq n GLY 37 N 5.21 0.55 3.62 3.44 0.00 -1.26 -4.71 105.19 112.05 2dgq n GLY 37 Ca -0.04 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2dgq n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dgq s VAL 38 N 0.00 3.68 0.22 1.61 -7.23 -1.26 -5.10 120.40 112.32 2dgq s VAL 38 Ca 0.00 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2dgq s VAL 38 Cb 0.00 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 2dgq s VAL 38 CO 0.00 0.21 1.29 -2.16 -0.31 0.00 0.00 175.10 174.13 2dgq s PRO 39 N -1.97 4.41 -0.10 4.82 0.04 -1.26 -5.03 135.00 135.89 2dgq s PRO 39 Ca 0.21 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.33 2dgq s PRO 39 Cb -0.11 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2dgq s PRO 39 CO 0.13 -0.21 -0.22 -1.64 0.04 0.00 0.00 177.00 175.10 2dgq s MET 40 N -0.38 2.89 0.35 4.56 -1.94 -1.26 -5.13 119.30 118.39 2dgq s MET 40 Ca 0.55 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2dgq s MET 40 Cb -0.36 -2.23 0.01 0.00 2.01 0.00 0.00 34.83 34.26 2dgq s MET 40 CO 0.40 0.12 0.05 0.36 -0.01 0.00 0.00 175.02 175.94 2dgq n LYS 41 N 3.67 1.12 -4.01 2.03 2.85 -1.26 -4.64 118.16 117.93 2dgq n LYS 41 Ca -0.20 -2.49 -0.24 0.00 -1.05 0.00 0.00 58.31 54.34 2dgq n LYS 41 Cb 0.53 0.59 -0.03 0.00 -0.65 0.00 0.00 35.03 35.47 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 -2.96 6.05 0.24 -5.58 1.01 -0.79 -4.99 116.67 109.65 2dgq s ASP 42 Ca 0.04 0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.27 2dgq s ASP 42 Cb -0.00 -1.72 0.26 0.00 1.01 0.00 0.00 42.92 42.47 2dgq s ASP 42 CO 0.02 0.00 1.76 1.12 0.21 0.00 0.00 175.17 178.28 2dgq h HIS 43 N 1.77 0.99 -0.83 4.23 2.07 -2.01 -2.87 115.15 118.49 2dgq h HIS 43 Ca -0.49 -0.12 -0.56 0.00 -2.85 0.00 0.00 60.37 56.35 2dgq h HIS 43 Cb 1.21 -0.28 -0.31 0.00 2.57 0.00 0.00 27.41 30.61 2dgq h HIS 43 CO 0.52 0.84 0.22 -0.25 -3.07 0.00 0.00 177.93 176.19 2dgq n ASP 44 N -4.23 5.76 -3.48 3.10 9.92 -1.26 -5.03 116.55 121.33 2dgq n ASP 44 Ca 0.04 -3.76 -0.31 0.00 -0.53 0.00 0.00 54.79 50.23 2dgq n ASP 44 Cb 0.27 -0.73 0.27 0.00 -0.64 0.00 0.00 41.12 40.29 2dgq n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dgq s ALA 45 N -3.63 -0.20 -0.01 2.24 0.00 -1.09 -4.86 121.76 114.21 2dgq s ALA 45 Ca 0.57 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2dgq s ALA 45 Cb 0.46 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2dgq s ALA 45 CO 0.02 -4.26 0.01 0.42 0.00 0.00 0.00 175.76 171.94 2dgq s ILE 46 N -2.58 0.01 -0.44 0.00 1.01 -1.26 -5.03 121.20 112.91 2dgq s ILE 46 Ca 0.70 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 2dgq s ILE 46 Cb -0.10 -0.06 0.04 0.00 0.01 0.00 0.00 42.46 42.35 2dgq s ILE 46 CO 0.57 0.04 0.34 -0.75 0.00 0.00 0.00 174.94 175.14 2dgq s LYS 47 N 0.37 2.98 0.24 2.79 2.20 -1.26 -4.04 119.74 123.02 2dgq s LYS 47 Ca -0.03 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.13 2dgq s LYS 47 Cb -0.05 -4.04 -0.09 0.00 -1.51 0.00 0.00 37.83 32.14 2dgq s LYS 47 CO -0.01 -0.87 1.00 -0.51 -0.36 0.00 0.00 175.35 174.61 2dgq s LEU 48 N 1.67 4.60 -0.18 5.43 1.43 0.62 -1.58 118.68 130.67 2dgq s LEU 48 Ca 0.05 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 2dgq s LEU 48 Cb -0.21 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.40 2dgq s LEU 48 CO 0.09 0.02 -0.16 0.12 0.23 0.00 0.00 176.35 176.64 2dgq s PHE 49 N -1.04 2.80 -0.13 0.29 5.36 0.74 -0.28 117.98 125.72 2dgq s PHE 49 Ca 0.43 -1.36 -0.06 0.00 -0.96 0.00 0.00 56.93 54.97 2dgq s PHE 49 Cb -0.28 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.42 2dgq s PHE 49 CO 0.35 -0.67 0.09 0.08 -1.46 0.00 0.00 175.22 173.61 2dgq s VAL 50 N 1.18 5.08 -0.16 3.12 1.01 -0.80 -2.04 120.40 127.79 2dgq s VAL 50 Ca 0.02 0.05 0.18 0.00 0.00 0.00 0.00 61.98 62.23 2dgq s VAL 50 Cb -0.14 -3.22 0.45 0.00 0.00 0.00 0.00 36.38 33.46 2dgq s VAL 50 CO -0.07 0.57 1.18 0.61 0.00 0.00 0.00 175.10 177.38 2dgq n GLY 51 N 2.49 3.20 2.58 4.51 0.00 -0.88 -1.83 105.19 115.25 2dgq n GLY 51 Ca -0.19 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 2dgq n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dgq n GLN 52 N -0.37 2.27 -3.81 1.61 1.13 -1.26 -4.83 117.38 112.12 2dgq n GLN 52 Ca 0.16 -3.71 -0.36 0.00 -1.94 0.00 0.00 57.00 51.14 2dgq n GLN 52 Cb 0.92 -1.78 -0.13 0.00 0.11 0.00 0.00 30.24 29.36 2dgq n GLN 52 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dgq s ILE 53 N -4.04 3.68 0.42 5.09 1.01 -1.26 -4.81 121.20 121.29 2dgq s ILE 53 Ca 0.35 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 2dgq s ILE 53 Cb 0.36 -2.89 0.11 0.00 0.01 0.00 0.00 42.46 40.05 2dgq s ILE 53 CO -0.02 0.11 0.37 -0.81 0.00 0.00 0.00 174.94 174.60 2dgq n PRO 54 N 4.81 -1.76 -3.55 2.79 -0.04 -1.26 -4.35 135.00 131.63 2dgq n PRO 54 Ca -0.15 -0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 62.32 2dgq n PRO 54 Cb 0.48 -0.56 -0.11 0.00 -0.04 0.00 0.00 33.50 33.27 2dgq n PRO 54 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dgq s ARG 55 N -3.85 3.69 0.00 0.54 3.00 -1.26 -4.41 118.95 116.65 2dgq s ARG 55 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 55.73 55.47 2dgq s ARG 55 Cb -0.02 -3.75 0.00 0.00 0.00 0.00 0.00 34.95 31.18 2dgq s ARG 55 CO 0.19 -0.33 0.00 0.41 0.00 0.00 0.00 175.30 175.56 2dgq n GLY 56 N 5.09 1.49 4.01 -3.53 0.00 -1.26 -5.14 105.19 105.84 2dgq n GLY 56 Ca -0.13 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 3.38 0.00 0.99 1.43 -1.26 -5.14 118.68 118.08 2dgq s LEU 57 Ca 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2dgq s LEU 57 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2dgq s LEU 57 CO 0.00 -1.01 0.23 0.47 0.23 0.00 0.00 176.35 176.27 2dgq n ASP 58 N -2.00 -0.64 0.33 2.29 8.00 -1.26 -5.01 116.55 118.25 2dgq n ASP 58 Ca 0.11 -2.03 0.21 0.00 0.71 0.00 0.00 54.79 53.79 2dgq n ASP 58 Cb 0.60 1.23 1.11 0.00 -0.02 0.00 0.00 41.12 44.04 2dgq n ASP 58 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dgq h GLU 59 N 0.00 0.00 0.00 -1.24 3.07 -1.98 0.21 114.58 114.63 2dgq h GLU 59 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2dgq h GLU 59 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2dgq h GLU 59 CO 0.19 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.84 2dgq n GLN 60 N -3.16 0.14 -0.00 2.33 6.02 -1.26 -1.42 117.38 120.03 2dgq n GLN 60 Ca -0.03 0.25 0.05 0.00 -0.01 0.00 0.00 57.00 57.27 2dgq n GLN 60 Cb 0.14 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 29.61 2dgq n GLN 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dgq n ASP 61 N -1.97 1.71 -0.03 1.08 -0.08 0.68 -4.58 116.55 113.37 2dgq n ASP 61 Ca 0.04 -0.30 -0.15 0.00 -1.51 0.00 0.00 54.79 52.87 2dgq n ASP 61 Cb 0.30 1.29 -0.14 0.00 2.34 0.00 0.00 41.12 44.91 2dgq n ASP 61 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dgq n LEU 62 N -1.62 1.77 -0.23 -2.67 4.77 -0.89 -4.26 117.00 113.86 2dgq n LEU 62 Ca -0.00 0.22 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 2dgq n LEU 62 Cb 0.23 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 41.02 2dgq n LEU 62 CO 0.22 0.66 0.94 0.11 -1.33 0.00 0.00 177.39 177.99 2dgq h LYS 63 N 0.03 0.29 -0.38 3.23 1.57 -1.48 -1.94 116.57 117.88 2dgq h LYS 63 Ca -0.41 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.43 2dgq h LYS 63 Cb 2.04 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 34.19 2dgq h LYS 63 CO 0.06 0.19 -0.37 -1.35 -0.57 0.00 0.00 179.45 177.41 2dgq h PRO 64 N 0.30 -0.29 0.09 3.15 0.11 -1.82 0.78 132.00 134.33 2dgq h PRO 64 Ca 0.38 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 2dgq h PRO 64 Cb 0.62 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2dgq h PRO 64 CO -0.46 -0.19 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.02 2dgq h LEU 65 N -0.30 -0.11 -2.34 2.35 3.38 -1.62 -2.09 115.31 114.58 2dgq h LEU 65 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dgq h LEU 65 Cb 0.56 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dgq h LEU 65 CO -0.54 -0.03 -0.04 -0.26 0.09 0.00 0.00 178.44 177.66 2dgq h PHE 66 N -0.17 0.00 -0.00 1.13 0.04 -0.81 0.74 116.94 117.87 2dgq h PHE 66 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2dgq h PHE 66 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2dgq h PHE 66 CO -0.06 0.04 -0.02 0.39 -0.60 0.00 0.00 178.31 178.06 2dgq n GLU 67 N -3.71 0.79 0.17 1.51 1.02 0.27 -3.15 120.64 117.53 2dgq n GLU 67 Ca -0.03 -0.10 0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2dgq n GLU 67 Cb 0.13 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.14 2dgq n GLU 67 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dgq h GLU 68 N 0.23 0.00 0.00 3.49 5.08 -0.58 -3.35 114.58 119.45 2dgq h GLU 68 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 2dgq h GLU 68 Cb 0.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 2dgq h GLU 68 CO 0.00 0.32 -2.50 1.19 -1.00 0.00 0.00 179.01 177.02 2dgq n PHE 69 N -3.19 0.00 -3.58 4.33 3.72 -1.20 -5.08 117.46 112.46 2dgq n PHE 69 Ca 0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.38 2dgq n PHE 69 Cb 0.65 -0.99 -0.02 0.00 -0.94 0.00 0.00 39.48 38.18 2dgq n PHE 69 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2dgq s GLY 70 N -6.10 -0.35 0.37 1.37 0.00 -1.19 -4.92 107.32 96.49 2dgq s GLY 70 Ca -0.36 1.25 -0.27 0.00 0.00 0.00 0.00 44.72 45.34 2dgq s GLY 70 CO 0.55 0.40 1.21 -2.13 0.00 0.00 0.00 173.10 173.14 2dgq n ARG 71 N -0.20 1.88 -3.34 2.90 3.00 -1.26 -4.17 116.66 115.48 2dgq n ARG 71 Ca -0.04 0.66 -0.30 0.00 -0.00 0.00 0.00 57.85 58.18 2dgq n ARG 71 Cb 0.60 -2.25 -0.04 0.00 0.00 0.00 0.00 32.46 30.78 2dgq n ARG 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2dgq s ILE 72 N -1.14 4.99 -0.23 5.15 1.01 -1.26 -3.72 121.20 126.01 2dgq s ILE 72 Ca 0.58 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.47 2dgq s ILE 72 Cb -0.57 -3.70 -0.18 0.00 0.01 0.00 0.00 42.46 38.02 2dgq s ILE 72 CO 0.60 -0.26 -0.14 0.00 0.00 0.00 0.00 174.94 175.14 2dgq n TYR 73 N -0.73 0.00 -3.64 3.97 4.19 0.54 -4.76 117.16 116.73 2dgq n TYR 73 Ca -0.01 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.16 2dgq n TYR 73 Cb 0.53 -0.93 -0.07 0.00 0.49 0.00 0.00 39.34 39.36 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 0.24 -0.07 2.98 2.56 -1.01 -4.91 118.70 116.01 2dgq s GLU 74 Ca -0.27 0.33 0.01 0.00 0.00 0.00 0.00 54.97 55.04 2dgq s GLU 74 Cb 0.08 0.10 0.02 0.00 2.00 0.00 0.00 34.13 36.33 2dgq s GLU 74 CO 0.61 -0.04 -0.07 -1.17 -0.56 0.00 0.00 175.26 174.04 2dgq s LEU 75 N 0.47 1.29 -0.01 2.70 2.96 -1.26 -1.22 118.68 123.61 2dgq s LEU 75 Ca 0.01 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2dgq s LEU 75 Cb -0.04 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.97 2dgq s LEU 75 CO -0.12 -0.06 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.90 2dgq s THR 76 N 1.21 0.47 -0.21 3.68 2.01 -0.90 -4.98 115.64 116.93 2dgq s THR 76 Ca -0.05 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 2dgq s THR 76 Cb -0.14 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2dgq s THR 76 CO -0.02 0.14 0.11 -0.69 -0.69 0.00 0.00 174.62 173.47 2dgq s VAL 77 N -0.04 5.04 0.08 3.82 1.01 -1.26 0.74 120.40 129.79 2dgq s VAL 77 Ca 0.01 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2dgq s VAL 77 Cb -0.03 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 2dgq s VAL 77 CO -0.00 0.40 1.14 -0.76 0.00 0.00 0.00 175.10 175.88 2dgq s LEU 78 N 0.75 4.40 0.15 3.92 1.43 -0.58 -4.97 118.68 123.78 2dgq s LEU 78 Ca 0.06 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 2dgq s LEU 78 Cb -0.13 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2dgq s LEU 78 CO 0.02 -0.37 -0.05 -0.54 0.23 0.00 0.00 176.35 175.64 2dgq s LYS 79 N 0.65 1.02 1.29 1.70 1.02 -1.26 -2.90 119.74 121.26 2dgq s LYS 79 Ca 0.55 -1.46 -0.21 0.00 0.02 0.00 0.00 55.97 54.87 2dgq s LYS 79 Cb -0.28 -0.36 0.32 0.00 -0.52 0.00 0.00 37.83 36.99 2dgq s LYS 79 CO 0.31 -0.04 1.05 0.34 -0.92 0.00 0.00 175.35 176.08 2dgq s ASP 80 N -3.14 0.15 -0.06 2.83 2.15 -0.93 -4.89 116.67 112.78 2dgq s ASP 80 Ca 0.19 0.69 0.01 0.00 0.43 0.00 0.00 52.55 53.86 2dgq s ASP 80 Cb 0.05 -0.95 -0.04 0.00 -0.30 0.00 0.00 42.92 41.68 2dgq s ASP 80 CO 0.01 -4.60 -0.04 0.54 -0.17 0.00 0.00 175.17 170.90 2dgq n ARG 81 N -5.09 0.57 0.08 4.34 5.12 -1.26 -3.50 116.66 116.91 2dgq n ARG 81 Ca 0.13 0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 55.97 2dgq n ARG 81 Cb 0.60 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 30.76 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 0.00 0.39 0.00 0.55 3.38 -2.01 -3.36 115.31 114.26 2dgq h LEU 82 Ca -0.13 -0.31 -0.23 0.00 0.09 0.00 0.00 57.88 57.29 2dgq h LEU 82 Cb 1.22 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2dgq h LEU 82 CO -0.02 1.11 -1.88 0.35 0.09 0.00 0.00 178.44 178.09 2dgq n THR 83 N -3.71 0.89 -1.91 0.22 -2.24 -1.26 -5.02 114.28 101.24 2dgq n THR 83 Ca -0.05 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 2dgq n THR 83 Cb 0.81 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 2.55 0.28 4.00 3.38 0.00 -1.23 -4.99 105.19 109.19 2dgq n GLY 84 Ca -0.25 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.96 3.36 -0.37 0.99 1.43 -1.26 -4.72 118.68 116.15 2dgq s LEU 85 Ca 0.00 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 2dgq s LEU 85 Cb 0.00 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2dgq s LEU 85 CO 0.00 -1.12 1.62 -2.28 0.23 0.00 0.00 176.35 174.80 2dgq s HIS 86 N -2.62 2.08 0.06 0.29 5.65 -1.26 -2.20 115.29 117.29 2dgq s HIS 86 Ca 0.58 0.64 -0.24 0.00 0.25 0.00 0.00 55.06 56.29 2dgq s HIS 86 Cb -0.09 -4.22 -0.17 0.00 -1.18 0.00 0.00 32.58 26.93 2dgq s HIS 86 CO 0.37 -2.49 1.59 0.87 -0.65 0.00 0.00 174.74 174.43 2dgq h LYS 87 N 11.88 -0.04 0.00 2.88 1.57 -1.87 -3.48 116.57 127.51 2dgq h LYS 87 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2dgq h LYS 87 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2dgq h LYS 87 CO 1.06 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 180.46 2dgq n GLY 88 N -0.72 0.46 3.59 3.86 0.00 -1.26 -5.07 105.19 106.05 2dgq n GLY 88 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.62 -1.12 -0.40 0.00 0.00 -0.76 -1.52 121.76 115.32 2dgq s ALA 90 Ca 0.10 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 2dgq s ALA 90 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2dgq s ALA 90 CO -0.05 -0.25 0.58 -0.06 0.00 0.00 0.00 175.76 175.99 2dgq s PHE 91 N -0.36 3.12 -0.14 0.00 0.08 0.23 -1.90 117.98 119.00 2dgq s PHE 91 Ca -0.05 0.01 -0.07 0.00 0.12 0.00 0.00 56.93 56.94 2dgq s PHE 91 Cb -0.03 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2dgq s PHE 91 CO 0.03 -0.74 0.10 -1.17 -0.10 0.00 0.00 175.22 173.34 2dgq s LEU 92 N 2.61 4.13 -0.17 -0.37 2.96 0.61 -2.11 118.68 126.34 2dgq s LEU 92 Ca 0.20 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2dgq s LEU 92 Cb -0.15 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.57 2dgq s LEU 92 CO 0.16 0.32 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.56 2dgq s THR 93 N -0.51 1.26 0.33 3.68 2.01 -0.36 -0.28 115.64 121.77 2dgq s THR 93 Ca 0.11 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 2dgq s THR 93 Cb -0.12 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.92 2dgq s THR 93 CO 0.02 0.15 0.68 -0.31 -0.69 0.00 0.00 174.62 174.47 2dgq s TYR 94 N 1.57 3.43 0.14 4.92 2.02 -1.26 -0.34 117.35 127.83 2dgq s TYR 94 Ca 0.00 1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 57.58 2dgq s TYR 94 Cb -0.15 -2.38 -0.01 0.00 -0.40 0.00 0.00 41.96 39.02 2dgq s TYR 94 CO -0.08 0.08 1.55 0.00 -1.57 0.00 0.00 175.55 175.53 2dgq s ALA 96 N -4.82 3.23 0.02 0.00 0.00 -1.26 -1.89 121.76 117.04 2dgq s ALA 96 Ca -0.12 -1.78 -0.22 0.00 0.00 0.00 0.00 51.96 49.84 2dgq s ALA 96 Cb 0.11 -0.64 -0.16 0.00 0.00 0.00 0.00 23.12 22.42 2dgq s ALA 96 CO 0.83 0.16 1.30 0.07 0.00 0.00 0.00 175.76 178.12 2dgq h ARG 97 N 1.80 0.26 0.15 0.00 0.11 -1.89 -3.21 114.38 111.61 2dgq h ARG 97 Ca -0.44 -0.15 0.01 0.00 0.10 0.00 0.00 59.98 59.51 2dgq h ARG 97 Cb 1.25 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.30 2dgq h ARG 97 CO 0.63 0.70 -0.52 -0.44 0.10 0.00 0.00 179.97 180.43 2dgq h ASP 98 N -0.16 -1.57 -0.99 0.08 5.19 -1.98 -0.41 116.42 116.58 2dgq h ASP 98 Ca 0.01 0.16 0.35 0.00 -0.62 0.00 0.00 57.03 56.94 2dgq h ASP 98 Cb 0.67 0.57 -0.16 0.00 0.18 0.00 0.00 39.33 40.59 2dgq h ASP 98 CO 0.03 -0.56 0.49 0.28 -3.12 0.00 0.00 179.24 176.36 2dgq h SER 99 N -0.77 0.32 0.12 6.45 0.02 -1.92 0.23 113.55 118.01 2dgq h SER 99 Ca -0.01 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2dgq h SER 99 Cb 0.76 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2dgq h SER 99 CO -0.27 -0.28 -0.06 0.00 -1.14 0.00 0.00 176.83 175.08 2dgq h ALA 100 N 1.92 -0.17 -0.44 3.77 0.00 -1.24 -2.01 119.26 121.09 2dgq h ALA 100 Ca 0.76 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.55 2dgq h ALA 100 Cb 1.84 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 2dgq h ALA 100 CO -0.70 -0.38 -0.04 -0.07 0.00 0.00 0.00 179.25 178.06 2dgq h LEU 101 N -0.59 -0.26 0.25 0.00 3.38 0.93 0.17 115.31 119.19 2dgq h LEU 101 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dgq h LEU 101 Cb 0.46 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2dgq h LEU 101 CO 0.03 -0.09 -0.12 0.11 0.09 0.00 0.00 178.44 178.46 2dgq h LYS 102 N 0.07 -0.33 -0.99 1.13 1.57 -1.02 -1.05 116.57 115.96 2dgq h LYS 102 Ca 0.22 0.02 0.31 0.00 -1.87 0.00 0.00 60.65 59.33 2dgq h LYS 102 Cb 0.32 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.56 2dgq h LYS 102 CO -0.39 -0.22 0.53 0.00 -0.57 0.00 0.00 179.45 178.80 2dgq h ALA 103 N -1.84 1.87 0.57 3.86 0.00 -1.26 1.67 119.26 124.13 2dgq h ALA 103 Ca -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dgq h ALA 103 Cb 0.26 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2dgq h ALA 103 CO 0.06 -0.56 -0.27 0.37 0.00 0.00 0.00 179.25 178.84 2dgq h GLN 104 N 0.31 -0.74 0.00 0.00 4.15 -0.50 0.48 115.11 118.80 2dgq h GLN 104 Ca 0.71 0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.18 2dgq h GLN 104 Cb 1.61 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.47 2dgq h GLN 104 CO -0.61 -0.49 0.00 0.45 -1.93 0.00 0.00 178.83 176.24 2dgq n SER 105 N -4.15 0.00 -0.07 -0.69 2.88 -0.41 0.12 113.62 111.31 2dgq n SER 105 Ca -0.10 -0.27 -0.08 0.00 -1.33 0.00 0.00 58.87 57.09 2dgq n SER 105 Cb 0.30 -0.18 -0.15 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.18 1.61 -0.10 -1.46 0.00 0.56 -4.59 120.51 115.35 2dgq n ALA 106 Ca 0.13 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.32 2dgq n ALA 106 Cb 0.13 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.80 2.94 -4.42 0.00 4.77 0.16 -4.59 117.00 113.07 2dgq n LEU 107 Ca -0.26 -0.10 -0.55 0.00 -0.03 0.00 0.00 56.01 55.08 2dgq n LEU 107 Cb 1.08 -0.72 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 2dgq n LEU 107 CO 0.44 0.84 1.71 1.57 -1.33 0.00 0.00 177.39 180.61 2dgq n HIS 108 N -3.12 1.52 -3.83 -1.77 -0.00 0.12 0.25 115.22 108.38 2dgq n HIS 108 Ca -0.36 0.48 -0.28 0.00 0.46 0.00 0.00 57.72 58.01 2dgq n HIS 108 Cb 0.88 -2.44 0.04 0.00 -0.12 0.00 0.00 29.99 28.35 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 7.58 -5.97 0.00 1.57 1.02 0.85 -4.83 120.64 120.86 2dgq n GLU 109 Ca 0.44 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 58.22 2dgq n GLU 109 Cb 0.13 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.00 2dgq n GLU 109 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2dgq n GLN 110 N -4.71 0.00 -2.92 3.49 7.27 0.14 -4.98 117.38 115.66 2dgq n GLN 110 Ca 0.01 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 2dgq n GLN 110 Cb 0.55 -0.49 0.05 0.00 2.41 0.00 0.00 30.24 32.75 2dgq n GLN 110 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2dgq s LYS 111 N -1.74 2.41 -0.28 3.69 -0.14 -1.09 -4.98 119.74 117.61 2dgq s LYS 111 Ca 0.00 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.26 2dgq s LYS 111 Cb 0.00 -2.62 0.17 0.00 -1.68 0.00 0.00 37.83 33.70 2dgq s LYS 111 CO 0.00 -0.74 0.49 0.99 -0.76 0.00 0.00 175.35 175.33 2dgq s THR 112 N -2.64 -0.81 0.79 2.17 2.01 -1.26 -1.95 115.64 113.94 2dgq s THR 112 Ca 0.60 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.38 2dgq s THR 112 Cb -0.07 -0.94 0.07 0.00 0.01 0.00 0.00 72.50 71.57 2dgq s THR 112 CO 0.38 -0.09 1.21 -0.76 -0.69 0.00 0.00 174.62 174.67 2dgq s LEU 113 N 2.70 3.19 -0.46 4.42 1.43 -1.26 -4.88 118.68 123.81 2dgq s LEU 113 Ca 0.14 2.39 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 2dgq s LEU 113 Cb -0.14 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.48 2dgq s LEU 113 CO -0.22 -2.57 1.78 -2.16 0.23 0.00 0.00 176.35 173.40 2dgq s PRO 114 N -4.05 3.05 0.00 1.29 0.04 -1.26 -2.57 135.00 131.50 2dgq s PRO 114 Ca 0.74 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2dgq s PRO 114 Cb -0.29 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2dgq s PRO 114 CO 0.49 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.74 2dgq n GLY 115 N 5.50 1.50 2.90 0.56 0.00 -1.26 -5.07 105.19 109.31 2dgq n GLY 115 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.05 1.49 0.36 1.61 -1.94 -1.06 -5.00 119.30 114.70 2dgq s MET 116 Ca 0.00 -0.63 0.04 0.00 -1.71 0.00 0.00 55.69 53.39 2dgq s MET 116 Cb 0.00 -2.16 0.69 0.00 2.01 0.00 0.00 34.83 35.38 2dgq s MET 116 CO 0.00 -0.47 2.00 -0.91 -0.01 0.00 0.00 175.02 175.62 2dgq h ASN 117 N 8.08 0.68 -2.74 3.03 2.35 -1.99 -3.43 115.58 121.57 2dgq h ASN 117 Ca -0.23 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 54.94 2dgq h ASN 117 Cb 1.10 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 2dgq h ASN 117 CO 0.41 0.48 -0.45 -0.13 -1.65 0.00 0.00 177.43 176.09 2dgq s ARG 118 N -5.69 3.46 0.97 0.81 1.81 -1.26 -5.11 118.95 113.94 2dgq s ARG 118 Ca -0.10 -0.48 -0.16 0.00 -1.72 0.00 0.00 55.73 53.27 2dgq s ARG 118 Cb 0.18 -2.96 0.24 0.00 -0.45 0.00 0.00 34.95 31.96 2dgq s ARG 118 CO 0.76 0.53 0.86 -0.35 -0.68 0.00 0.00 175.30 176.42 2dgq n PRO 119 N -0.28 -2.70 -3.13 3.54 -0.04 -1.26 -4.70 135.00 126.42 2dgq n PRO 119 Ca -0.06 -1.38 -0.39 0.00 -0.04 0.00 0.00 63.50 61.63 2dgq n PRO 119 Cb 0.53 -1.29 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 2dgq n PRO 119 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2dgq s ILE 120 N -2.56 5.02 -0.24 0.52 2.07 -0.82 -4.86 121.20 120.32 2dgq s ILE 120 Ca 0.56 1.31 -0.06 0.00 -1.41 0.00 0.00 60.65 61.06 2dgq s ILE 120 Cb -0.05 -3.98 -0.02 0.00 0.13 0.00 0.00 42.46 38.54 2dgq s ILE 120 CO 0.43 0.32 0.02 -1.10 -1.91 0.00 0.00 174.94 172.70 2dgq s GLN 121 N 0.46 3.51 -0.11 3.50 -0.21 -1.26 -0.10 119.66 125.44 2dgq s GLN 121 Ca 0.34 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 2dgq s GLN 121 Cb -0.18 -3.19 0.03 0.00 1.00 0.00 0.00 33.01 30.67 2dgq s GLN 121 CO 0.17 -0.21 -0.04 0.08 -2.12 0.00 0.00 175.29 173.18 2dgq s VAL 122 N 1.55 0.76 0.09 1.09 1.01 -1.26 -2.08 120.40 121.56 2dgq s VAL 122 Ca 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2dgq s VAL 122 Cb -0.15 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2dgq s VAL 122 CO 0.01 0.26 -0.18 -1.59 0.00 0.00 0.00 175.10 173.59 2dgq s LYS 123 N 1.81 0.99 -1.06 2.72 -2.85 -0.87 -4.65 119.74 115.84 2dgq s LYS 123 Ca 0.04 -1.08 -0.23 0.00 -1.00 0.00 0.00 55.97 53.70 2dgq s LYS 123 Cb -0.13 -1.13 -0.07 0.00 -2.06 0.00 0.00 37.83 34.44 2dgq s LYS 123 CO -0.07 0.26 1.94 -1.25 0.10 0.00 0.00 175.35 176.33 2dgq s PRO 124 N -1.86 2.52 0.05 1.78 0.04 -1.26 -0.18 135.00 136.08 2dgq s PRO 124 Ca 0.03 -0.77 -0.31 0.00 0.04 0.00 0.00 61.00 59.98 2dgq s PRO 124 Cb -0.10 -5.16 -0.16 0.00 0.04 0.00 0.00 34.50 29.11 2dgq s PRO 124 CO 0.03 -3.71 0.79 0.00 0.04 0.00 0.00 177.00 174.15 2dgq n ALA 125 N 14.20 -3.04 -2.50 8.56 0.00 -0.61 -4.94 120.51 132.18 2dgq n ALA 125 Ca 0.43 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 54.08 2dgq n ALA 125 Cb 0.47 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 2dgq n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dgq s ALA 126 N -0.23 2.75 -0.27 0.00 0.00 -1.26 -4.64 121.76 118.11 2dgq s ALA 126 Ca 0.72 -1.61 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 2dgq s ALA 126 Cb -1.01 -0.50 -0.11 0.00 0.00 0.00 0.00 23.12 21.50 2dgq s ALA 126 CO 0.49 0.42 -0.36 -1.13 0.00 0.00 0.00 175.76 175.18 2dgq n SER 127 N 0.02 1.95 -0.24 0.00 3.41 -1.26 -4.54 113.62 112.96 2dgq n SER 127 Ca -0.11 0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 58.83 2dgq n SER 127 Cb 0.56 -0.81 0.10 0.00 -0.26 0.00 0.00 64.21 63.81 2dgq n SER 127 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2dgq h GLU 128 N -1.00 0.67 0.00 4.33 5.08 -2.03 -3.47 114.58 118.17 2dgq h GLU 128 Ca -0.62 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 2dgq h GLU 128 Cb 1.54 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2dgq h GLU 128 CO -0.37 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 2dgq n GLY 129 N -1.29 0.71 3.79 -3.84 0.00 -1.26 -5.14 105.19 98.15 2dgq n GLY 129 Ca 0.09 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 2dgq n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dgq s ARG 130 N -1.08 2.64 0.00 1.61 0.52 -1.26 -5.14 118.95 116.24 2dgq s ARG 130 Ca 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 2dgq s ARG 130 Cb 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2dgq s ARG 130 CO 0.00 0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.96 2dgq n GLY 131 N -1.19 1.74 3.59 -3.53 0.00 -1.26 -4.97 105.19 99.56 2dgq n GLY 131 Ca -0.05 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 3.58 0.61 -0.30 1.61 -1.05 -1.26 -5.16 118.70 116.73 2dgq s GLU 132 Ca 0.00 0.24 -0.08 0.00 -0.15 0.00 0.00 54.97 54.98 2dgq s GLU 132 Cb 0.00 0.29 0.18 0.00 -0.44 0.00 0.00 34.13 34.16 2dgq s GLU 132 CO 0.00 -0.17 0.88 0.45 0.95 0.00 0.00 175.26 177.37 2dgq s SER 133 N -0.85 -0.82 -0.42 0.83 0.15 -1.26 -5.12 113.70 106.21 2dgq s SER 133 Ca -0.01 0.52 0.05 0.00 0.70 0.00 0.00 55.95 57.21 2dgq s SER 133 Cb -0.01 1.69 0.17 0.00 -1.71 0.00 0.00 66.02 66.16 2dgq s SER 133 CO 0.01 -0.15 0.52 -0.83 1.20 0.00 0.00 173.24 173.99 2dgq s GLY 134 N 2.91 -0.46 0.26 9.45 0.00 -1.26 -5.14 107.32 113.08 2dgq s GLY 134 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.73 2dgq s GLY 134 CO -0.15 3.11 1.26 2.56 0.00 0.00 0.00 173.10 179.88 2dgq s PRO 135 N 1.18 4.43 -0.05 2.90 0.04 -1.26 -5.04 135.00 137.20 2dgq s PRO 135 Ca 0.22 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.37 2dgq s PRO 135 Cb -0.06 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 2dgq s PRO 135 CO -0.07 -0.13 -0.22 0.45 0.04 0.00 0.00 177.00 177.08 2dgq s SER 136 N -0.19 2.68 -0.43 6.66 0.15 -1.26 -5.09 113.70 116.23 2dgq s SER 136 Ca 0.51 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 56.43 2dgq s SER 136 Cb -0.37 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 2dgq s SER 136 CO 0.44 0.20 1.52 -0.44 1.20 0.00 0.00 173.24 176.15 2dgq s SER 137 N -0.04 6.16 0.00 5.45 0.01 -1.26 -5.37 113.70 118.65 2dgq s SER 137 Ca -0.05 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2dgq s SER 137 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2dgq s SER 137 CO 0.03 -1.58 0.00 0.61 0.41 0.00 0.00 173.24 172.72