#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 -0.25 0.34 1.61 0.15 -1.26 -5.19 113.70 109.10 2dgq s SER 32 Ca 0.00 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 56.70 2dgq s SER 32 Cb 0.00 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 2dgq s SER 32 CO 0.00 -0.33 0.57 -0.44 1.20 0.00 0.00 173.24 174.24 2dgq s SER 33 N -1.73 0.44 0.00 5.45 0.01 -1.26 -5.09 113.70 111.52 2dgq s SER 33 Ca 0.05 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2dgq s SER 33 Cb -0.01 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2dgq s SER 33 CO -0.04 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.84 2dgq n GLY 34 N -0.52 0.00 2.97 3.44 0.00 -1.26 -5.16 105.19 104.66 2dgq n GLY 34 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2dgq n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgq s SER 35 N 0.00 0.84 -0.65 1.61 0.01 -1.26 -5.06 113.70 109.19 2dgq s SER 35 Ca 0.00 -0.13 -0.28 0.00 1.31 0.00 0.00 55.95 56.85 2dgq s SER 35 Cb 0.00 -0.17 -0.16 0.00 0.21 0.00 0.00 66.02 65.90 2dgq s SER 35 CO 0.00 0.06 1.97 -0.24 0.41 0.00 0.00 173.24 175.44 2dgq n SER 36 N 3.15 0.36 -4.12 2.44 2.88 -1.26 -4.85 113.62 112.22 2dgq n SER 36 Ca -0.16 0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 2dgq n SER 36 Cb 0.56 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 2dgq n SER 36 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dgq s GLY 37 N 6.26 1.05 0.03 0.46 0.00 -1.26 -5.17 107.32 108.68 2dgq s GLY 37 Ca 1.03 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 44.41 2dgq s GLY 37 CO 0.43 -1.15 -0.14 -1.34 0.00 0.00 0.00 173.10 170.90 2dgq s VAL 38 N -4.09 1.10 -0.08 1.40 -7.23 -1.26 -5.11 120.40 105.12 2dgq s VAL 38 Ca 0.30 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 2dgq s VAL 38 Cb 0.05 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 2dgq s VAL 38 CO 0.08 0.08 1.51 -2.16 -0.31 0.00 0.00 175.10 174.30 2dgq s PRO 39 N -0.94 4.20 -0.05 4.82 0.04 -1.26 -5.01 135.00 136.80 2dgq s PRO 39 Ca 0.02 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2dgq s PRO 39 Cb -0.07 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2dgq s PRO 39 CO 0.01 -0.78 -0.10 -1.64 0.04 0.00 0.00 177.00 174.52 2dgq s MET 40 N 3.75 2.60 0.29 4.56 -1.94 -1.26 -5.10 119.30 122.20 2dgq s MET 40 Ca 0.67 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 54.05 2dgq s MET 40 Cb -0.30 -2.48 0.04 0.00 2.01 0.00 0.00 34.83 34.10 2dgq s MET 40 CO 0.25 0.64 0.31 0.36 -0.01 0.00 0.00 175.02 176.57 2dgq n LYS 41 N 2.19 0.93 -4.19 2.03 0.00 -1.26 -4.62 118.16 113.24 2dgq n LYS 41 Ca -0.17 -1.69 -0.31 0.00 -0.00 0.00 0.00 58.31 56.14 2dgq n LYS 41 Cb 0.53 0.03 -0.08 0.00 -0.00 0.00 0.00 35.03 35.50 2dgq n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dgq s ASP 42 N -2.76 4.99 0.27 -5.58 1.11 0.14 -4.91 116.67 109.93 2dgq s ASP 42 Ca 0.24 -0.14 -0.01 0.00 0.18 0.00 0.00 52.55 52.81 2dgq s ASP 42 Cb -0.02 -1.20 0.47 0.00 1.07 0.00 0.00 42.92 43.23 2dgq s ASP 42 CO 0.15 0.21 1.85 1.12 1.18 0.00 0.00 175.17 179.68 2dgq h HIS 43 N 3.73 1.13 -0.79 4.23 2.07 -2.01 -1.61 115.15 121.91 2dgq h HIS 43 Ca -0.48 0.03 -0.50 0.00 -2.85 0.00 0.00 60.37 56.57 2dgq h HIS 43 Cb 1.17 -0.36 -0.28 0.00 2.57 0.00 0.00 27.41 30.50 2dgq h HIS 43 CO 0.60 0.51 0.22 -3.47 -3.07 0.00 0.00 177.93 172.72 2dgq n ASP 44 N -4.59 5.15 -4.25 3.10 2.03 -1.26 -5.03 116.55 111.71 2dgq n ASP 44 Ca 0.17 -3.76 -0.29 0.00 0.52 0.00 0.00 54.79 51.43 2dgq n ASP 44 Cb 0.27 -0.73 0.23 0.00 -0.72 0.00 0.00 41.12 40.18 2dgq n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dgq s ALA 45 N -3.55 0.08 0.04 -1.67 0.00 -0.61 -4.67 121.76 111.38 2dgq s ALA 45 Ca 0.56 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.04 2dgq s ALA 45 Cb 0.46 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2dgq s ALA 45 CO 0.02 -3.64 -0.08 0.42 0.00 0.00 0.00 175.76 172.48 2dgq s ILE 46 N -2.70 0.56 -0.42 0.00 1.01 -1.26 -4.97 121.20 113.42 2dgq s ILE 46 Ca 0.68 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 2dgq s ILE 46 Cb -0.18 -0.61 0.07 0.00 0.01 0.00 0.00 42.46 41.75 2dgq s ILE 46 CO 0.60 -0.31 0.27 -0.75 0.00 0.00 0.00 174.94 174.75 2dgq s LYS 47 N -1.42 2.70 0.18 2.79 2.20 -1.26 -4.00 119.74 120.93 2dgq s LYS 47 Ca -0.08 -1.38 -0.30 0.00 -0.36 0.00 0.00 55.97 53.85 2dgq s LYS 47 Cb -0.09 -3.83 -0.08 0.00 -1.51 0.00 0.00 37.83 32.32 2dgq s LYS 47 CO 0.00 -0.93 0.95 -0.51 -0.36 0.00 0.00 175.35 174.51 2dgq s LEU 48 N 1.48 4.58 -0.13 5.43 1.43 0.54 0.37 118.68 132.39 2dgq s LEU 48 Ca 0.03 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2dgq s LEU 48 Cb -0.23 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2dgq s LEU 48 CO 0.04 0.06 -0.20 0.12 0.23 0.00 0.00 176.35 176.59 2dgq s PHE 49 N -0.65 2.69 -0.15 0.29 2.19 0.92 0.63 117.98 123.89 2dgq s PHE 49 Ca 0.44 -1.14 -0.05 0.00 0.33 0.00 0.00 56.93 56.51 2dgq s PHE 49 Cb -0.25 -1.81 -0.04 0.00 -1.31 0.00 0.00 43.02 39.61 2dgq s PHE 49 CO 0.31 -0.50 0.03 0.08 1.83 0.00 0.00 175.22 176.97 2dgq s VAL 50 N 0.67 4.49 -0.19 3.12 1.01 0.05 -1.95 120.40 127.60 2dgq s VAL 50 Ca -0.10 -0.15 0.14 0.00 0.00 0.00 0.00 61.98 61.87 2dgq s VAL 50 Cb -0.16 -2.97 0.43 0.00 0.00 0.00 0.00 36.38 33.68 2dgq s VAL 50 CO 0.02 0.52 1.20 0.61 0.00 0.00 0.00 175.10 177.44 2dgq n GLY 51 N 3.07 4.44 2.58 4.51 0.00 -0.87 -0.55 105.19 118.36 2dgq n GLY 51 Ca -0.17 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.72 2.30 -3.69 1.61 -0.06 -1.25 -4.80 117.38 110.77 2dgq n GLN 52 Ca 0.20 -3.72 -0.38 0.00 -2.00 0.00 0.00 57.00 51.10 2dgq n GLN 52 Cb 0.83 -1.80 -0.12 0.00 -4.06 0.00 0.00 30.24 25.09 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 -4.05 4.29 0.00 1.69 1.01 -1.25 -4.88 121.20 118.00 2dgq s ILE 53 Ca 0.35 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2dgq s ILE 53 Cb 0.36 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.56 2dgq s ILE 53 CO -0.02 -0.02 0.00 -0.81 0.00 0.00 0.00 174.94 174.09 2dgq n PRO 54 N 4.93 -0.14 -4.12 2.79 -0.04 -1.26 -4.24 135.00 132.92 2dgq n PRO 54 Ca -0.13 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 2dgq n PRO 54 Cb 0.48 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.68 3.43 0.00 0.54 1.70 -1.26 -4.45 118.95 117.24 2dgq s ARG 55 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 2dgq s ARG 55 Cb 0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 2dgq s ARG 55 CO 0.00 0.58 0.00 0.41 -1.08 0.00 0.00 175.30 175.21 2dgq n GLY 56 N 2.56 1.73 3.91 3.88 0.00 -1.26 -5.09 105.19 110.91 2dgq n GLY 56 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 4.18 0.00 0.99 1.43 -1.26 -5.11 118.68 118.91 2dgq s LEU 57 Ca 0.00 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2dgq s LEU 57 Cb 0.00 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2dgq s LEU 57 CO 0.00 0.01 0.16 0.47 0.23 0.00 0.00 176.35 177.22 2dgq n ASP 58 N -0.82 0.50 -0.01 2.29 9.92 -1.26 -4.99 116.55 122.17 2dgq n ASP 58 Ca -0.08 -2.71 0.23 0.00 -0.53 0.00 0.00 54.79 51.69 2dgq n ASP 58 Cb 0.55 1.01 0.72 0.00 -0.64 0.00 0.00 41.12 42.76 2dgq n ASP 58 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2dgq h GLU 59 N 0.00 0.00 -0.06 -1.24 3.07 -1.97 0.33 114.58 114.71 2dgq h GLU 59 Ca -0.22 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.56 2dgq h GLU 59 Cb 0.95 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2dgq h GLU 59 CO 0.35 0.00 -0.31 0.37 -1.40 0.00 0.00 179.01 178.02 2dgq h GLN 60 N 0.00 0.10 0.00 2.33 5.75 -1.99 0.60 115.11 121.91 2dgq h GLN 60 Ca 0.28 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2dgq h GLN 60 Cb 1.23 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2dgq h GLN 60 CO -0.00 0.41 -0.72 -0.44 -2.65 0.00 0.00 178.83 175.42 2dgq h ASP 61 N 0.09 0.00 0.13 -0.69 3.32 -0.76 -3.35 116.42 115.17 2dgq h ASP 61 Ca 0.01 -0.23 -0.26 0.00 0.02 0.00 0.00 57.03 56.57 2dgq h ASP 61 Cb 0.60 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 2dgq h ASP 61 CO 0.04 0.11 -2.13 0.18 -1.72 0.00 0.00 179.24 175.73 2dgq n LEU 62 N -2.12 0.18 -0.21 1.55 4.77 -0.74 -4.37 117.00 116.06 2dgq n LEU 62 Ca 0.03 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2dgq n LEU 62 Cb 0.45 0.31 0.10 0.00 -2.33 0.00 0.00 43.42 41.95 2dgq n LEU 62 CO 0.37 0.34 1.02 0.50 -1.33 0.00 0.00 177.39 178.29 2dgq h LYS 63 N 0.00 0.48 -0.39 3.23 3.64 0.06 -1.98 116.57 121.61 2dgq h LYS 63 Ca -0.36 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.06 2dgq h LYS 63 Cb 1.88 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 33.50 2dgq h LYS 63 CO 0.03 0.31 -0.36 -1.35 -2.27 0.00 0.00 179.45 175.82 2dgq h PRO 64 N 0.49 -0.27 0.06 1.90 0.11 -1.76 1.06 132.00 133.59 2dgq h PRO 64 Ca 0.30 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 2dgq h PRO 64 Cb 0.31 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2dgq h PRO 64 CO -0.26 -0.18 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.25 2dgq h LEU 65 N -0.28 -0.07 -2.26 2.35 3.38 -1.73 -2.38 115.31 114.33 2dgq h LEU 65 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dgq h LEU 65 Cb 0.56 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dgq h LEU 65 CO -0.55 0.08 -0.05 -0.26 0.09 0.00 0.00 178.44 177.75 2dgq h PHE 66 N -0.21 0.00 -0.00 1.13 0.04 -0.83 0.34 116.94 117.40 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 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 2dgq h PHE 66 CO -0.03 0.05 -0.00 0.39 -0.60 0.00 0.00 178.31 178.12 2dgq n GLU 67 N -3.68 1.21 0.13 1.51 1.02 0.36 -3.29 120.64 117.90 2dgq n GLU 67 Ca -0.02 -0.31 0.12 0.00 -0.02 0.00 0.00 57.16 56.93 2dgq n GLU 67 Cb 0.15 -1.49 0.19 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.76 0.00 0.00 3.49 4.57 -0.66 -3.36 114.58 119.39 2dgq h GLU 68 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 2dgq h GLU 68 Cb 0.16 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 2dgq h GLU 68 CO 0.00 0.00 -2.20 1.19 -1.18 0.00 0.00 179.01 176.82 2dgq n PHE 69 N -2.56 0.00 -3.78 0.92 3.72 -1.21 -5.11 117.46 109.45 2dgq n PHE 69 Ca 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2dgq n PHE 69 Cb 0.49 -0.80 0.01 0.00 -0.94 0.00 0.00 39.48 38.23 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 2.35 0.72 3.71 1.37 0.00 -1.21 -4.95 105.19 107.18 2dgq n GLY 70 Ca -0.38 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.02 4.56 0.66 1.61 3.52 -1.26 -4.11 118.95 121.92 2dgq s ARG 71 Ca 0.13 1.33 -0.11 0.00 -0.13 0.00 0.00 55.73 56.95 2dgq s ARG 71 Cb -0.01 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 2dgq s ARG 71 CO 0.01 0.01 1.05 0.42 -0.81 0.00 0.00 175.30 175.98 2dgq s ILE 72 N 0.82 4.29 -0.05 4.11 1.01 -1.26 -3.33 121.20 126.79 2dgq s ILE 72 Ca 0.49 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.89 2dgq s ILE 72 Cb -0.21 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2dgq s ILE 72 CO 0.27 -0.97 -0.04 0.00 0.00 0.00 0.00 174.94 174.20 2dgq n TYR 73 N -2.97 0.00 -3.47 3.97 4.19 0.10 -4.64 117.16 114.36 2dgq n TYR 73 Ca 0.07 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.29 2dgq n TYR 73 Cb 0.54 -0.21 -0.03 0.00 0.49 0.00 0.00 39.34 40.12 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 -2.11 0.46 -0.20 2.98 2.12 -0.88 -5.00 118.70 116.07 2dgq s GLU 74 Ca -0.06 1.09 -0.01 0.00 0.36 0.00 0.00 54.97 56.35 2dgq s GLU 74 Cb 0.02 0.65 0.01 0.00 0.26 0.00 0.00 34.13 35.07 2dgq s GLU 74 CO 0.14 -0.23 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.33 2dgq s LEU 75 N 2.76 2.55 -0.02 2.70 2.96 -1.26 -0.63 118.68 127.73 2dgq s LEU 75 Ca -0.01 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2dgq s LEU 75 Cb -0.10 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.00 2dgq s LEU 75 CO -0.18 -0.03 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.87 2dgq s THR 76 N 1.35 0.53 -0.10 3.68 2.01 -0.80 -4.98 115.64 117.33 2dgq s THR 76 Ca 0.04 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 2dgq s THR 76 Cb -0.14 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 2dgq s THR 76 CO -0.09 0.18 0.26 -0.69 -0.69 0.00 0.00 174.62 173.59 2dgq s VAL 77 N 0.21 5.31 -0.08 3.82 1.01 -1.26 0.65 120.40 130.06 2dgq s VAL 77 Ca -0.02 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 2dgq s VAL 77 Cb -0.07 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2dgq s VAL 77 CO -0.00 0.54 0.56 -0.76 0.00 0.00 0.00 175.10 175.44 2dgq s LEU 78 N -0.62 4.31 0.05 3.92 1.43 -0.09 -4.91 118.68 122.77 2dgq s LEU 78 Ca 0.18 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2dgq s LEU 78 Cb -0.14 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2dgq s LEU 78 CO 0.06 -0.01 -0.05 -0.54 0.23 0.00 0.00 176.35 176.04 2dgq s LYS 79 N 0.52 0.57 1.16 1.70 1.02 -1.26 -3.57 119.74 119.88 2dgq s LYS 79 Ca 0.30 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 55.12 2dgq s LYS 79 Cb -0.16 -0.01 0.23 0.00 -0.52 0.00 0.00 37.83 37.37 2dgq s LYS 79 CO 0.14 -0.04 0.48 -0.25 -0.92 0.00 0.00 175.35 174.76 2dgq n ASP 80 N 0.72 -3.20 -0.03 2.83 8.00 -1.21 -4.89 116.55 118.78 2dgq n ASP 80 Ca -0.18 -0.48 -0.04 0.00 0.71 0.00 0.00 54.79 54.79 2dgq n ASP 80 Cb 0.58 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2dgq n ASP 80 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2dgq n ARG 81 N -3.12 0.12 -0.10 -1.24 1.85 -1.26 -3.75 116.66 109.16 2dgq n ARG 81 Ca 0.07 0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.84 2dgq n ARG 81 Cb 0.46 -0.96 -0.04 0.00 -1.05 0.00 0.00 32.46 30.87 2dgq n ARG 81 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2dgq h LEU 82 N -0.07 0.65 0.00 2.89 4.07 -2.02 -3.37 115.31 117.46 2dgq h LEU 82 Ca -0.12 -0.42 -0.39 0.00 0.08 0.00 0.00 57.88 57.03 2dgq h LEU 82 Cb 1.16 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.66 2dgq h LEU 82 CO -0.04 0.93 -2.36 0.35 -1.08 0.00 0.00 178.44 176.24 2dgq n THR 83 N -4.39 1.35 -1.34 0.22 -2.24 -1.26 -5.03 114.28 101.59 2dgq n THR 83 Ca -0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2dgq n THR 83 Cb 0.39 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 1.90 0.71 3.80 3.38 0.00 -1.25 -5.01 105.19 108.72 2dgq n GLY 84 Ca -0.45 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 4.35 -0.97 0.99 1.43 -1.26 -4.68 118.68 118.54 2dgq s LEU 85 Ca 0.00 0.62 -0.32 0.00 -1.03 0.00 0.00 54.13 53.40 2dgq s LEU 85 Cb 0.00 -2.34 -0.22 0.00 0.03 0.00 0.00 46.19 43.66 2dgq s LEU 85 CO 0.00 0.25 2.67 1.57 0.23 0.00 0.00 176.35 181.07 2dgq n HIS 86 N 2.64 0.60 -0.21 0.29 -0.00 -1.26 -3.31 115.22 113.96 2dgq n HIS 86 Ca -0.15 0.40 -0.05 0.00 -0.00 0.00 0.00 57.72 57.92 2dgq n HIS 86 Cb 0.53 -2.38 0.05 0.00 -0.00 0.00 0.00 29.99 28.19 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 11.92 0.74 0.00 1.57 1.57 -1.91 -3.47 116.57 126.99 2dgq h LYS 87 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2dgq h LYS 87 Cb 1.32 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2dgq h LYS 87 CO 1.37 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 181.15 2dgq n GLY 88 N -1.27 0.72 3.50 3.86 0.00 -1.26 -5.06 105.19 105.68 2dgq n GLY 88 Ca 0.05 0.00 -0.09 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 -3.02 -1.25 -0.41 0.00 0.00 0.29 -0.92 121.76 116.46 2dgq s ALA 90 Ca 0.04 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 52.81 2dgq s ALA 90 Cb -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2dgq s ALA 90 CO -0.08 -0.29 0.40 -0.06 0.00 0.00 0.00 175.76 175.73 2dgq s PHE 91 N -0.81 3.19 -0.16 0.00 0.08 0.21 -0.77 117.98 119.71 2dgq s PHE 91 Ca -0.09 -0.35 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 2dgq s PHE 91 Cb -0.03 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.56 2dgq s PHE 91 CO 0.05 -0.64 0.13 -1.17 -0.10 0.00 0.00 175.22 173.49 2dgq s LEU 92 N 2.05 4.28 -0.12 -0.37 2.96 0.20 -1.91 118.68 125.78 2dgq s LEU 92 Ca 0.11 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2dgq s LEU 92 Cb -0.17 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.45 2dgq s LEU 92 CO 0.13 0.28 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.38 2dgq s THR 93 N -0.27 1.64 0.17 3.68 2.01 0.20 -0.34 115.64 122.72 2dgq s THR 93 Ca 0.11 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2dgq s THR 93 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2dgq s THR 93 CO 0.01 0.47 0.32 -0.31 -0.69 0.00 0.00 174.62 174.41 2dgq s TYR 94 N 0.95 3.48 0.07 4.92 2.02 -1.26 0.03 117.35 127.56 2dgq s TYR 94 Ca -0.07 0.18 -0.20 0.00 -0.37 0.00 0.00 57.07 56.61 2dgq s TYR 94 Cb -0.15 -1.72 -0.11 0.00 -0.40 0.00 0.00 41.96 39.59 2dgq s TYR 94 CO -0.02 0.47 1.50 0.00 -1.57 0.00 0.00 175.55 175.93 2dgq s ALA 96 N -4.96 4.39 -0.08 0.00 0.00 -1.26 0.24 121.76 120.10 2dgq s ALA 96 Ca -0.14 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 49.97 2dgq s ALA 96 Cb 0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 23.12 21.86 2dgq s ALA 96 CO 0.73 -0.47 0.66 0.07 0.00 0.00 0.00 175.76 176.74 2dgq h ARG 97 N 0.69 0.30 0.56 0.00 0.11 -1.88 -3.36 114.38 110.80 2dgq h ARG 97 Ca -0.37 -0.52 -0.02 0.00 0.10 0.00 0.00 59.98 59.17 2dgq h ARG 97 Cb 1.29 0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.55 2dgq h ARG 97 CO 0.53 1.25 -0.40 0.22 0.10 0.00 0.00 179.97 181.67 2dgq h ASP 98 N -0.19 -1.03 -0.88 0.08 1.82 -1.97 -2.53 116.42 111.72 2dgq h ASP 98 Ca -0.29 0.07 0.27 0.00 -0.39 0.00 0.00 57.03 56.69 2dgq h ASP 98 Cb 1.85 0.32 -0.16 0.00 0.68 0.00 0.00 39.33 42.01 2dgq h ASP 98 CO 0.11 -0.59 0.12 -1.20 -1.61 0.00 0.00 179.24 176.07 2dgq n SER 99 N -5.52 -0.01 -0.11 2.28 7.64 -1.26 0.15 113.62 116.78 2dgq n SER 99 Ca -0.12 1.49 -0.10 0.00 1.01 0.00 0.00 58.87 61.15 2dgq n SER 99 Cb 0.41 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.77 0.43 -0.28 -0.43 0.00 -1.62 -2.15 119.26 116.99 2dgq h ALA 100 Ca 0.58 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.34 2dgq h ALA 100 Cb 1.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2dgq h ALA 100 CO -0.80 0.11 0.08 -0.07 0.00 0.00 0.00 179.25 178.57 2dgq h LEU 101 N 0.37 0.06 0.23 0.00 3.38 0.17 0.46 115.31 119.99 2dgq h LEU 101 Ca 0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dgq h LEU 101 Cb 0.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dgq h LEU 101 CO 0.00 0.07 -0.13 0.11 0.09 0.00 0.00 178.44 178.58 2dgq h LYS 102 N 0.19 -0.32 -0.99 1.13 1.57 -1.03 -0.66 116.57 116.46 2dgq h LYS 102 Ca 0.12 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.11 2dgq h LYS 102 Cb 0.11 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.40 2dgq h LYS 102 CO -0.15 -0.22 0.61 0.00 -0.57 0.00 0.00 179.45 179.13 2dgq h ALA 103 N -1.76 1.75 0.76 3.86 0.00 -1.38 1.00 119.26 123.49 2dgq h ALA 103 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2dgq h ALA 103 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dgq h ALA 103 CO 0.04 -0.09 -0.48 0.37 0.00 0.00 0.00 179.25 179.09 2dgq h GLN 104 N 0.73 -1.12 0.00 0.00 4.15 0.08 0.84 115.11 119.79 2dgq h GLN 104 Ca 0.55 0.08 0.00 0.00 0.77 0.00 0.00 58.65 60.04 2dgq h GLN 104 Cb 0.89 0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2dgq h GLN 104 CO -0.33 -0.75 0.00 0.45 -1.93 0.00 0.00 178.83 176.28 2dgq n SER 105 N -5.47 0.00 0.02 -0.69 2.88 -0.27 0.15 113.62 110.24 2dgq n SER 105 Ca -0.14 0.15 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 2dgq n SER 105 Cb 0.49 -0.37 -0.09 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.37 3.08 -0.04 -1.46 0.00 0.34 -4.53 120.51 116.53 2dgq n ALA 106 Ca 0.10 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2dgq n ALA 106 Cb 0.24 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.20 2.80 -4.46 0.00 4.77 0.29 -4.56 117.00 113.64 2dgq n LEU 107 Ca -0.01 -0.04 -0.47 0.00 -0.03 0.00 0.00 56.01 55.45 2dgq n LEU 107 Cb 0.51 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 2dgq n LEU 107 CO 0.43 0.61 1.89 1.57 -1.33 0.00 0.00 177.39 180.57 2dgq n HIS 108 N -2.71 1.42 -3.51 -1.77 -0.00 0.12 -0.18 115.22 108.58 2dgq n HIS 108 Ca -0.15 0.28 -0.24 0.00 0.46 0.00 0.00 57.72 58.07 2dgq n HIS 108 Cb 0.66 -2.52 0.06 0.00 -0.12 0.00 0.00 29.99 28.08 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 8.34 -7.04 0.00 1.57 1.02 -0.09 -4.85 120.64 119.60 2dgq n GLU 109 Ca 0.44 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.40 2dgq n GLU 109 Cb 0.24 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 25.85 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 -4.76 0.00 -3.94 3.49 7.27 0.74 -4.98 117.38 115.19 2dgq n GLN 110 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.79 2dgq n GLN 110 Cb 0.57 -0.55 -0.03 0.00 2.41 0.00 0.00 30.24 32.64 2dgq n GLN 110 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2dgq s LYS 111 N -1.76 3.44 -0.38 3.69 2.47 -1.12 -4.97 119.74 121.12 2dgq s LYS 111 Ca 0.00 -0.59 0.01 0.00 -1.56 0.00 0.00 55.97 53.83 2dgq s LYS 111 Cb 0.00 -2.97 0.13 0.00 -1.46 0.00 0.00 37.83 33.53 2dgq s LYS 111 CO 0.00 0.53 0.20 0.99 0.16 0.00 0.00 175.35 177.23 2dgq s THR 112 N -1.72 0.73 0.78 3.43 2.01 -1.26 -0.14 115.64 119.46 2dgq s THR 112 Ca 0.35 -1.95 -0.16 0.00 0.31 0.00 0.00 61.69 60.23 2dgq s THR 112 Cb -0.11 -1.53 -0.07 0.00 0.01 0.00 0.00 72.50 70.80 2dgq s THR 112 CO 0.28 -0.90 0.09 0.18 -0.69 0.00 0.00 174.62 173.58 2dgq n LEU 113 N 4.01 -1.72 -4.61 4.42 4.77 -1.26 -4.81 117.00 117.80 2dgq n LEU 113 Ca 0.08 0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 2dgq n LEU 113 Cb 0.37 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 2dgq n LEU 113 CO 0.17 -4.17 1.42 -2.16 -1.33 0.00 0.00 177.39 171.33 2dgq s PRO 114 N -2.40 3.57 0.00 3.23 0.04 -1.26 -2.36 135.00 135.82 2dgq s PRO 114 Ca 0.57 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2dgq s PRO 114 Cb -0.32 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2dgq s PRO 114 CO 0.67 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2dgq n GLY 115 N 5.06 0.75 3.12 0.56 0.00 -1.26 -5.06 105.19 108.35 2dgq n GLY 115 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.59 2.12 0.48 1.61 -1.94 -1.00 -4.97 119.30 115.02 2dgq s MET 116 Ca 0.00 -1.53 0.22 0.00 -1.71 0.00 0.00 55.69 52.67 2dgq s MET 116 Cb 0.00 -3.26 1.25 0.00 2.01 0.00 0.00 34.83 34.83 2dgq s MET 116 CO 0.00 -0.79 1.92 -0.97 -0.01 0.00 0.00 175.02 175.17 2dgq h ASN 117 N 7.92 0.19 -2.60 3.03 -1.24 -1.97 -3.41 115.58 117.50 2dgq h ASN 117 Ca -0.16 0.02 -0.55 0.00 0.71 0.00 0.00 56.30 56.32 2dgq h ASN 117 Cb 1.05 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.05 2dgq h ASN 117 CO 0.57 0.09 -0.47 -0.13 -1.29 0.00 0.00 177.43 176.20 2dgq s ARG 118 N -5.20 3.44 1.20 6.67 0.52 -1.26 -5.11 118.95 119.21 2dgq s ARG 118 Ca -0.06 -0.58 -0.19 0.00 -0.52 0.00 0.00 55.73 54.38 2dgq s ARG 118 Cb 0.21 -2.97 0.28 0.00 0.52 0.00 0.00 34.95 32.99 2dgq s ARG 118 CO 0.76 0.53 1.11 -1.25 0.02 0.00 0.00 175.30 176.47 2dgq s PRO 119 N -3.15 -1.18 -0.12 3.54 0.04 -1.26 -4.62 135.00 128.25 2dgq s PRO 119 Ca 0.35 -0.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.11 2dgq s PRO 119 Cb -0.11 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 2dgq s PRO 119 CO 0.28 -3.68 0.67 -1.50 0.04 0.00 0.00 177.00 172.81 2dgq s ILE 120 N -3.01 5.04 -0.28 0.56 2.07 0.80 -4.86 121.20 121.52 2dgq s ILE 120 Ca 0.71 1.33 -0.11 0.00 -1.41 0.00 0.00 60.65 61.17 2dgq s ILE 120 Cb -0.10 -4.00 -0.05 0.00 0.13 0.00 0.00 42.46 38.45 2dgq s ILE 120 CO 0.56 0.19 0.18 -1.10 -1.91 0.00 0.00 174.94 172.86 2dgq s GLN 121 N 1.26 3.89 -0.10 3.50 -0.21 -1.26 -0.91 119.66 125.82 2dgq s GLN 121 Ca 0.34 -0.36 -0.00 0.00 0.02 0.00 0.00 55.36 55.36 2dgq s GLN 121 Cb -0.17 -3.63 0.02 0.00 1.00 0.00 0.00 33.01 30.24 2dgq s GLN 121 CO 0.14 -0.20 -0.07 0.08 -2.12 0.00 0.00 175.29 173.12 2dgq s VAL 122 N 1.74 0.97 0.09 1.09 1.01 -1.26 -2.05 120.40 121.99 2dgq s VAL 122 Ca 0.07 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2dgq s VAL 122 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2dgq s VAL 122 CO 0.10 0.36 -0.13 -1.59 0.00 0.00 0.00 175.10 173.84 2dgq s LYS 123 N 1.63 0.88 -1.00 2.72 -2.85 -0.83 -4.65 119.74 115.65 2dgq s LYS 123 Ca 0.03 -1.10 -0.24 0.00 -1.00 0.00 0.00 55.97 53.66 2dgq s LYS 123 Cb -0.13 -0.74 -0.06 0.00 -2.06 0.00 0.00 37.83 34.84 2dgq s LYS 123 CO -0.07 0.14 1.94 -1.25 0.10 0.00 0.00 175.35 176.22 2dgq s PRO 124 N -2.37 2.53 0.00 1.78 0.04 -1.26 -0.06 135.00 135.67 2dgq s PRO 124 Ca 0.04 -0.59 -0.29 0.00 0.04 0.00 0.00 61.00 60.19 2dgq s PRO 124 Cb -0.06 -5.13 -0.15 0.00 0.04 0.00 0.00 34.50 29.21 2dgq s PRO 124 CO 0.02 -3.59 0.78 0.00 0.04 0.00 0.00 177.00 174.25 2dgq n ALA 125 N 14.12 -2.82 -3.65 8.56 0.00 0.16 -4.88 120.51 132.00 2dgq n ALA 125 Ca 0.42 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.93 2dgq n ALA 125 Cb 0.47 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.01 3.91 0.05 0.00 0.00 -1.26 -4.61 121.76 119.83 2dgq s ALA 126 Ca 0.67 -3.52 -0.26 0.00 0.00 0.00 0.00 51.96 48.84 2dgq s ALA 126 Cb -0.93 -2.81 -0.17 0.00 0.00 0.00 0.00 23.12 19.21 2dgq s ALA 126 CO 0.42 -2.14 1.50 0.66 0.00 0.00 0.00 175.76 176.19 2dgq h SER 127 N 6.65 -0.29 -1.48 0.00 4.64 -1.97 -3.44 113.55 117.65 2dgq h SER 127 Ca 0.07 -0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.38 2dgq h SER 127 Cb 0.90 0.08 -0.21 0.00 -0.31 0.00 0.00 62.40 62.86 2dgq h SER 127 CO 0.77 -0.07 -0.14 -0.70 -0.87 0.00 0.00 176.83 175.83 2dgq s GLU 128 N -5.45 0.53 0.05 4.77 2.12 -1.26 -5.06 118.70 114.41 2dgq s GLU 128 Ca -0.15 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2dgq s GLU 128 Cb 0.04 0.70 0.00 0.00 0.26 0.00 0.00 34.13 35.12 2dgq s GLU 128 CO 0.62 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 2dgq n GLY 129 N 5.40 -0.04 0.36 -1.50 0.00 -1.26 -4.90 105.19 103.25 2dgq n GLY 129 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2dgq n GLY 129 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dgq h ARG 130 N 0.00 -0.83 -6.36 1.61 9.65 -1.99 -3.42 114.38 113.04 2dgq h ARG 130 Ca 0.00 0.06 -0.55 0.00 -1.10 0.00 0.00 59.98 58.39 2dgq h ARG 130 Cb 0.45 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2dgq h ARG 130 CO 0.00 -0.51 0.75 0.20 2.80 0.00 0.00 179.97 183.21 2dgq s GLY 131 N -2.32 2.00 -0.28 2.80 0.00 -1.26 -5.00 107.32 103.26 2dgq s GLY 131 Ca -0.16 0.78 -0.17 0.00 0.00 0.00 0.00 44.72 45.17 2dgq s GLY 131 CO 0.54 2.35 0.80 1.85 0.00 0.00 0.00 173.10 178.63 2dgq s GLU 132 N 2.17 0.60 0.09 2.90 2.12 -1.26 -4.97 118.70 120.35 2dgq s GLU 132 Ca 0.60 1.01 -0.32 0.00 0.36 0.00 0.00 54.97 56.63 2dgq s GLU 132 Cb -0.29 0.13 -0.17 0.00 0.26 0.00 0.00 34.13 34.06 2dgq s GLU 132 CO 0.25 -0.12 0.75 0.43 -0.54 0.00 0.00 175.26 176.02 2dgq n SER 133 N 3.99 -0.54 -1.30 -1.70 7.64 -1.26 -4.96 113.62 115.50 2dgq n SER 133 Ca -0.19 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2dgq n SER 133 Cb 0.58 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2dgq n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dgq n GLY 134 N 1.59 1.48 3.60 0.23 0.00 -1.26 -4.98 105.19 105.85 2dgq n GLY 134 Ca 0.17 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 2.27 3.37 -0.02 1.61 0.04 -1.26 -4.91 135.00 136.09 2dgq s PRO 135 Ca 0.00 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 2dgq s PRO 135 Cb 0.00 -4.16 -0.12 0.00 0.04 0.00 0.00 34.50 30.26 2dgq s PRO 135 CO 0.00 -1.82 0.83 1.03 0.04 0.00 0.00 177.00 177.08 2dgq h SER 136 N 12.43 -0.47 -7.02 6.66 0.87 -2.03 -3.46 113.55 120.52 2dgq h SER 136 Ca -0.32 -0.07 -0.60 0.00 -1.23 0.00 0.00 61.79 59.58 2dgq h SER 136 Cb 1.15 0.12 -0.30 0.00 -0.44 0.00 0.00 62.40 62.93 2dgq h SER 136 CO 1.05 -0.03 -0.89 -1.54 -0.53 0.00 0.00 176.83 174.89 2dgq n SER 137 N -5.15 -1.98 0.00 6.23 3.41 -1.26 -5.32 113.62 109.54 2dgq n SER 137 Ca -0.08 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2dgq n SER 137 Cb 0.26 -2.03 0.00 0.00 -0.26 0.00 0.00 64.21 62.18 2dgq n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49