#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 6.23 0.19 1.61 0.01 -1.26 -5.03 113.70 115.46 2dgq s SER 32 Ca 0.00 -0.22 -0.23 0.00 1.31 0.00 0.00 55.95 56.81 2dgq s SER 32 Cb 0.00 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 64.05 2dgq s SER 32 CO 0.00 -0.43 0.72 -0.44 0.41 0.00 0.00 173.24 173.50 2dgq s SER 33 N 1.76 -0.38 0.00 2.44 0.01 -1.26 -5.16 113.70 111.11 2dgq s SER 33 Ca 0.14 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dgq s SER 33 Cb -0.16 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dgq s SER 33 CO 0.13 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2dgq n GLY 34 N -0.41 -0.60 2.77 3.44 0.00 -1.26 -5.09 105.19 104.04 2dgq n GLY 34 Ca -0.10 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.00 4.00 0.08 1.61 0.01 -1.26 -4.98 113.70 109.15 2dgq s SER 35 Ca 0.00 -2.17 -0.19 0.00 1.31 0.00 0.00 55.95 54.90 2dgq s SER 35 Cb 0.00 -1.07 -0.09 0.00 0.21 0.00 0.00 66.02 65.06 2dgq s SER 35 CO 0.00 -0.34 1.49 0.28 0.41 0.00 0.00 173.24 175.08 2dgq h SER 36 N 7.41 0.41 0.00 2.44 0.02 -2.05 -3.49 113.55 118.29 2dgq h SER 36 Ca -0.07 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2dgq h SER 36 Cb 0.98 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2dgq h SER 36 CO 0.49 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.43 2dgq n GLY 37 N -0.25 -0.47 3.66 -3.77 0.00 -1.26 -5.13 105.19 97.97 2dgq n GLY 37 Ca -0.04 0.51 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 2dgq n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dgq s VAL 38 N 0.00 4.96 -0.05 1.61 0.11 -1.26 -5.07 120.40 120.70 2dgq s VAL 38 Ca 0.00 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.78 2dgq s VAL 38 Cb 0.00 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 2dgq s VAL 38 CO 0.00 0.46 1.49 -2.16 -3.33 0.00 0.00 175.10 171.56 2dgq s PRO 39 N 0.36 4.23 0.20 1.54 0.04 -1.26 -5.02 135.00 135.08 2dgq s PRO 39 Ca 0.04 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2dgq s PRO 39 Cb -0.12 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2dgq s PRO 39 CO -0.01 -0.72 -0.00 1.41 0.04 0.00 0.00 177.00 177.72 2dgq s MET 40 N 3.29 2.36 0.23 4.56 1.75 -1.26 -5.13 119.30 125.09 2dgq s MET 40 Ca 0.66 -1.19 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 2dgq s MET 40 Cb -0.31 -2.30 -0.01 0.00 2.84 0.00 0.00 34.83 35.06 2dgq s MET 40 CO 0.26 0.43 0.07 0.36 -0.65 0.00 0.00 175.02 175.48 2dgq n LYS 41 N -0.32 0.82 -4.01 4.11 2.85 -1.26 -4.76 118.16 115.59 2dgq n LYS 41 Ca -0.09 -1.89 -0.24 0.00 -1.05 0.00 0.00 58.31 55.03 2dgq n LYS 41 Cb 0.56 0.95 -0.04 0.00 -0.65 0.00 0.00 35.03 35.86 2dgq n LYS 41 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2dgq s ASP 42 N -2.38 6.03 0.31 -5.58 -4.77 -1.07 -5.01 116.67 104.19 2dgq s ASP 42 Ca 0.10 0.01 0.03 0.00 -3.30 0.00 0.00 52.55 49.39 2dgq s ASP 42 Cb 0.00 -1.72 0.52 0.00 -1.09 0.00 0.00 42.92 40.64 2dgq s ASP 42 CO 0.07 0.01 1.83 1.12 0.70 0.00 0.00 175.17 178.90 2dgq h HIS 43 N 1.86 0.59 -0.51 2.11 2.07 -2.02 -1.86 115.15 117.39 2dgq h HIS 43 Ca -0.49 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 56.95 2dgq h HIS 43 Cb 1.21 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 31.02 2dgq h HIS 43 CO 0.53 0.60 0.00 -0.25 -3.07 0.00 0.00 177.93 175.74 2dgq n ASP 44 N -4.24 2.76 -4.12 3.10 9.92 -1.26 -4.98 116.55 117.72 2dgq n ASP 44 Ca 0.01 -2.01 -0.36 0.00 -0.53 0.00 0.00 54.79 51.91 2dgq n ASP 44 Cb 0.28 -0.35 0.08 0.00 -0.64 0.00 0.00 41.12 40.49 2dgq n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dgq n ALA 45 N 1.00 -4.89 -2.86 2.24 0.00 -0.70 -4.87 120.51 110.43 2dgq n ALA 45 Ca 0.17 -1.05 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 2dgq n ALA 45 Cb 0.44 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 2dgq n ALA 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2dgq s ILE 46 N -2.11 0.47 -0.44 0.00 1.01 -1.26 -5.03 121.20 113.85 2dgq s ILE 46 Ca 0.45 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2dgq s ILE 46 Cb -0.07 -0.53 0.09 0.00 0.01 0.00 0.00 42.46 41.96 2dgq s ILE 46 CO 0.71 -0.34 0.29 -0.75 0.00 0.00 0.00 174.94 174.85 2dgq s LYS 47 N -1.40 2.54 0.34 2.79 2.20 -1.26 -3.76 119.74 121.19 2dgq s LYS 47 Ca -0.09 -1.58 -0.26 0.00 -0.36 0.00 0.00 55.97 53.68 2dgq s LYS 47 Cb -0.09 -3.83 -0.10 0.00 -1.51 0.00 0.00 37.83 32.31 2dgq s LYS 47 CO 0.00 -1.05 0.97 -0.51 -0.36 0.00 0.00 175.35 174.40 2dgq s LEU 48 N 1.39 4.29 -0.10 5.43 1.43 0.25 0.24 118.68 131.62 2dgq s LEU 48 Ca 0.04 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 2dgq s LEU 48 Cb -0.24 -4.06 0.01 0.00 0.03 0.00 0.00 46.19 41.94 2dgq s LEU 48 CO 0.01 -0.15 -0.14 0.12 0.23 0.00 0.00 176.35 176.42 2dgq s PHE 49 N -1.64 1.78 -0.12 0.29 2.19 0.12 0.90 117.98 121.51 2dgq s PHE 49 Ca 0.52 -0.79 -0.05 0.00 0.33 0.00 0.00 56.93 56.93 2dgq s PHE 49 Cb -0.19 -1.30 -0.04 0.00 -1.31 0.00 0.00 43.02 40.18 2dgq s PHE 49 CO 0.24 -0.42 0.08 0.08 1.83 0.00 0.00 175.22 177.03 2dgq s VAL 50 N 0.96 4.95 -0.19 3.12 1.01 -0.27 -2.06 120.40 127.92 2dgq s VAL 50 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 61.98 62.06 2dgq s VAL 50 Cb -0.15 -3.15 0.45 0.00 0.00 0.00 0.00 36.38 33.53 2dgq s VAL 50 CO -0.00 0.59 1.18 0.61 0.00 0.00 0.00 175.10 177.47 2dgq n GLY 51 N 2.31 3.85 2.62 4.51 0.00 -0.86 -1.61 105.19 116.01 2dgq n GLY 51 Ca -0.19 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.53 2.13 -3.59 1.61 -0.06 -1.23 -4.80 117.38 110.90 2dgq n GLN 52 Ca 0.20 -3.67 -0.40 0.00 -2.00 0.00 0.00 57.00 51.13 2dgq n GLN 52 Cb 0.89 -1.73 -0.11 0.00 -4.06 0.00 0.00 30.24 25.23 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 -3.97 4.78 1.23 1.69 1.01 -1.05 -4.89 121.20 120.01 2dgq s ILE 53 Ca 0.33 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 2dgq s ILE 53 Cb 0.37 -3.56 0.30 0.00 0.01 0.00 0.00 42.46 39.57 2dgq s ILE 53 CO -0.02 -0.11 1.11 -2.16 0.00 0.00 0.00 174.94 173.76 2dgq s PRO 54 N 1.62 -1.43 -0.32 2.79 0.04 -1.26 -4.14 135.00 132.29 2dgq s PRO 54 Ca 0.04 -0.14 -0.17 0.00 0.04 0.00 0.00 61.00 60.76 2dgq s PRO 54 Cb -0.18 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 2dgq s PRO 54 CO 0.08 -3.84 0.48 1.03 0.04 0.00 0.00 177.00 174.79 2dgq s ARG 55 N -5.46 3.78 0.00 4.56 0.52 -1.26 -4.19 118.95 116.90 2dgq s ARG 55 Ca 0.72 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 2dgq s ARG 55 Cb -0.08 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.64 2dgq s ARG 55 CO 0.56 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.78 2dgq n GLY 56 N 4.69 1.41 3.94 -3.53 0.00 -1.26 -5.13 105.19 105.32 2dgq n GLY 56 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 4.09 0.00 0.99 1.43 -1.26 -5.13 118.68 118.80 2dgq s LEU 57 Ca 0.00 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2dgq s LEU 57 Cb 0.00 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2dgq s LEU 57 CO 0.00 -0.17 0.12 0.47 0.23 0.00 0.00 176.35 177.00 2dgq n ASP 58 N -1.42 0.20 0.30 2.29 9.92 -1.26 -4.96 116.55 121.62 2dgq n ASP 58 Ca -0.06 -2.16 0.16 0.00 -0.53 0.00 0.00 54.79 52.20 2dgq n ASP 58 Cb 0.58 0.75 0.83 0.00 -0.64 0.00 0.00 41.12 42.64 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 0.00 -1.24 3.07 -1.98 0.33 114.58 114.76 2dgq h GLU 59 Ca -0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.67 2dgq h GLU 59 Cb 0.64 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 2dgq h GLU 59 CO 0.21 0.00 -0.24 -0.56 -1.40 0.00 0.00 179.01 177.02 2dgq h GLN 60 N 0.00 0.00 0.00 2.33 3.07 -2.00 0.20 115.11 118.70 2dgq h GLN 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2dgq h GLN 60 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2dgq h GLN 60 CO 0.00 0.24 -1.14 -3.47 0.09 0.00 0.00 178.83 174.55 2dgq n ASP 61 N -3.40 0.81 -0.08 0.06 2.03 0.11 -4.33 116.55 111.76 2dgq n ASP 61 Ca 0.00 -0.78 -0.13 0.00 0.52 0.00 0.00 54.79 54.40 2dgq n ASP 61 Cb 0.45 1.13 -0.14 0.00 -0.72 0.00 0.00 41.12 41.83 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 -1.64 1.16 -0.23 -2.67 4.77 -1.02 -4.36 117.00 113.00 2dgq n LEU 62 Ca 0.03 0.09 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 2dgq n LEU 62 Cb 0.37 -0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.55 2dgq n LEU 62 CO 0.43 0.61 0.96 0.50 -1.33 0.00 0.00 177.39 178.56 2dgq h LYS 63 N 0.01 0.33 -0.37 3.23 3.64 -1.15 -1.95 116.57 120.31 2dgq h LYS 63 Ca -0.48 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 2dgq h LYS 63 Cb 2.09 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 33.75 2dgq h LYS 63 CO 0.02 0.22 -0.39 -1.35 -2.27 0.00 0.00 179.45 175.68 2dgq h PRO 64 N 0.34 -0.31 0.49 1.90 0.11 -1.78 0.76 132.00 133.51 2dgq h PRO 64 Ca 0.38 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.49 2dgq h PRO 64 Cb 0.59 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2dgq h PRO 64 CO -0.43 -0.21 -0.23 -0.07 -0.21 0.00 0.00 178.00 176.85 2dgq h LEU 65 N -0.32 -0.55 -2.00 2.35 3.38 -1.66 -2.44 115.31 114.06 2dgq h LEU 65 Ca 0.14 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.21 2dgq h LEU 65 Cb 0.57 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2dgq h LEU 65 CO -0.54 -0.35 0.27 -0.26 0.09 0.00 0.00 178.44 177.66 2dgq h PHE 66 N -0.72 0.00 0.00 1.13 0.04 -1.01 0.42 116.94 116.80 2dgq h PHE 66 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2dgq h PHE 66 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2dgq h PHE 66 CO -0.03 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.07 2dgq n GLU 67 N -4.42 0.07 0.17 1.51 1.02 0.26 -2.35 120.64 116.90 2dgq n GLU 67 Ca 0.06 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.47 2dgq n GLU 67 Cb 0.46 -1.59 0.33 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.29 -3.36 114.58 119.82 2dgq h GLU 68 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2dgq h GLU 68 Cb 0.46 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 2dgq h GLU 68 CO 0.00 0.00 -2.09 1.19 -0.73 0.00 0.00 179.01 177.38 2dgq n PHE 69 N -2.67 0.00 -3.82 0.92 3.72 -1.11 -5.11 117.46 109.40 2dgq n PHE 69 Ca 0.04 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 2dgq n PHE 69 Cb 0.45 -0.70 -0.01 0.00 -0.94 0.00 0.00 39.48 38.28 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 -5.37 -0.07 -0.13 1.37 0.00 -0.99 -4.87 107.32 97.27 2dgq s GLY 70 Ca -0.27 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 2dgq s GLY 70 CO 0.35 0.07 1.33 -1.60 0.00 0.00 0.00 173.10 173.25 2dgq s ARG 71 N -3.39 4.24 0.41 2.90 3.52 -1.26 -3.96 118.95 121.40 2dgq s ARG 71 Ca 0.13 1.77 -0.26 0.00 -0.13 0.00 0.00 55.73 57.24 2dgq s ARG 71 Cb -0.04 -3.77 -0.08 0.00 -1.56 0.00 0.00 34.95 29.49 2dgq s ARG 71 CO 0.06 -0.70 1.26 0.42 -0.81 0.00 0.00 175.30 175.53 2dgq s ILE 72 N 3.40 2.76 -0.20 4.11 1.01 -1.26 -3.28 121.20 127.74 2dgq s ILE 72 Ca 0.59 0.67 0.17 0.00 0.00 0.00 0.00 60.65 62.07 2dgq s ILE 72 Cb -0.25 -3.39 -0.25 0.00 0.01 0.00 0.00 42.46 38.59 2dgq s ILE 72 CO 0.19 0.08 0.05 0.00 0.00 0.00 0.00 174.94 175.26 2dgq n TYR 73 N 0.08 0.00 -3.49 3.97 4.19 0.11 -4.78 117.16 117.25 2dgq n TYR 73 Ca 0.04 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.26 2dgq n TYR 73 Cb 0.44 -1.00 -0.05 0.00 0.49 0.00 0.00 39.34 39.22 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 -2.49 0.25 -0.09 2.98 2.12 -1.00 -5.00 118.70 115.47 2dgq s GLU 74 Ca -0.12 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.78 2dgq s GLU 74 Cb 0.06 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.67 2dgq s GLU 74 CO 0.82 -0.07 -0.17 -1.17 -0.54 0.00 0.00 175.26 174.12 2dgq s LEU 75 N 1.83 1.83 -0.04 2.70 2.96 -1.26 -1.20 118.68 125.51 2dgq s LEU 75 Ca -0.05 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2dgq s LEU 75 Cb -0.04 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.56 2dgq s LEU 75 CO -0.15 0.08 0.10 -0.89 -1.32 0.00 0.00 176.35 174.16 2dgq s THR 76 N 0.62 -0.01 -0.12 3.68 2.01 -0.85 -5.02 115.64 115.95 2dgq s THR 76 Ca -0.14 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 2dgq s THR 76 Cb -0.16 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2dgq s THR 76 CO 0.04 0.01 0.19 -0.69 -0.69 0.00 0.00 174.62 173.49 2dgq s VAL 77 N 0.21 5.40 0.12 3.82 1.01 -1.26 0.58 120.40 130.28 2dgq s VAL 77 Ca -0.01 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 2dgq s VAL 77 Cb -0.02 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2dgq s VAL 77 CO -0.01 0.56 0.61 -0.76 0.00 0.00 0.00 175.10 175.50 2dgq s LEU 78 N -0.61 4.47 0.21 3.92 1.43 0.03 -4.94 118.68 123.19 2dgq s LEU 78 Ca 0.15 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2dgq s LEU 78 Cb -0.13 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2dgq s LEU 78 CO 0.04 0.20 0.09 -0.54 0.23 0.00 0.00 176.35 176.37 2dgq s LYS 79 N -1.40 1.22 0.81 1.70 1.02 -1.26 -3.71 119.74 118.11 2dgq s LYS 79 Ca 0.33 -1.64 -0.14 0.00 0.02 0.00 0.00 55.97 54.55 2dgq s LYS 79 Cb -0.19 0.00 0.19 0.00 -0.52 0.00 0.00 37.83 37.32 2dgq s LYS 79 CO 0.20 -0.30 0.95 -0.25 -0.92 0.00 0.00 175.35 175.03 2dgq n ASP 80 N -0.31 -0.55 0.05 2.83 8.00 -1.21 -4.87 116.55 120.49 2dgq n ASP 80 Ca -0.01 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2dgq n ASP 80 Cb 0.65 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2dgq n ASP 80 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dgq n ARG 81 N -3.43 0.00 -0.33 -1.24 1.74 -1.26 -3.97 116.66 108.17 2dgq n ARG 81 Ca 0.12 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.17 2dgq n ARG 81 Cb 0.44 -0.50 0.10 0.00 -1.02 0.00 0.00 32.46 31.49 2dgq n ARG 81 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dgq h LEU 82 N 0.00 1.11 0.00 0.55 3.38 -2.02 -3.31 115.31 115.02 2dgq h LEU 82 Ca 0.00 -0.08 -0.41 0.00 0.09 0.00 0.00 57.88 57.48 2dgq h LEU 82 Cb 0.01 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 2dgq h LEU 82 CO 0.00 0.88 -2.43 0.35 0.09 0.00 0.00 178.44 177.33 2dgq n THR 83 N -4.34 1.41 -1.65 0.22 -2.24 -1.26 -5.03 114.28 101.39 2dgq n THR 83 Ca 0.10 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2dgq n THR 83 Cb 0.08 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 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 1.78 0.43 3.78 3.38 0.00 -1.25 -5.00 105.19 108.31 2dgq n GLY 84 Ca -0.48 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 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 4.31 -0.92 0.99 1.43 -1.26 -4.64 118.68 118.59 2dgq s LEU 85 Ca 0.00 0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 53.42 2dgq s LEU 85 Cb 0.00 -2.36 -0.22 0.00 0.03 0.00 0.00 46.19 43.64 2dgq s LEU 85 CO 0.00 0.20 2.55 1.57 0.23 0.00 0.00 176.35 180.90 2dgq n HIS 86 N 2.95 0.60 -0.24 0.29 -0.00 -1.26 -3.35 115.22 114.21 2dgq n HIS 86 Ca -0.14 0.26 0.04 0.00 -0.00 0.00 0.00 57.72 57.88 2dgq n HIS 86 Cb 0.52 -2.08 0.17 0.00 -0.00 0.00 0.00 29.99 28.60 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 12.91 0.34 0.00 1.57 1.57 -1.90 -3.46 116.57 127.60 2dgq h LYS 87 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2dgq h LYS 87 Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2dgq h LYS 87 CO 1.39 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 180.90 2dgq n GLY 88 N -1.33 1.49 3.35 3.86 0.00 -1.26 -5.02 105.19 106.28 2dgq n GLY 88 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.91 -1.74 -0.36 0.00 0.00 -0.64 -0.79 121.76 114.32 2dgq s ALA 90 Ca 0.12 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 2dgq s ALA 90 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2dgq s ALA 90 CO -0.04 -0.36 0.40 -0.06 0.00 0.00 0.00 175.76 175.70 2dgq s PHE 91 N -0.73 3.20 -0.11 0.00 0.08 0.20 -1.11 117.98 119.50 2dgq s PHE 91 Ca -0.08 -0.05 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 2dgq s PHE 91 Cb -0.02 -2.74 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2dgq s PHE 91 CO 0.07 -0.49 0.02 -1.17 -0.10 0.00 0.00 175.22 173.55 2dgq s LEU 92 N 2.09 3.65 -0.08 -0.37 2.96 0.26 -2.00 118.68 125.18 2dgq s LEU 92 Ca 0.13 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2dgq s LEU 92 Cb -0.16 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.69 2dgq s LEU 92 CO 0.12 0.32 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.49 2dgq s THR 93 N -0.55 1.01 0.17 3.68 2.01 -0.34 0.85 115.64 122.47 2dgq s THR 93 Ca 0.10 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 2dgq s THR 93 Cb -0.12 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 2dgq s THR 93 CO 0.02 0.34 0.40 -0.31 -0.69 0.00 0.00 174.62 174.39 2dgq s TYR 94 N 1.16 3.47 0.20 4.92 2.02 -1.25 0.07 117.35 127.95 2dgq s TYR 94 Ca -0.05 0.54 0.08 0.00 -0.37 0.00 0.00 57.07 57.26 2dgq s TYR 94 Cb -0.14 -2.00 0.09 0.00 -0.40 0.00 0.00 41.96 39.52 2dgq s TYR 94 CO -0.02 0.39 1.46 0.00 -1.57 0.00 0.00 175.55 175.81 2dgq s ALA 96 N -3.22 2.87 0.45 0.00 0.00 -1.26 -2.61 121.76 117.99 2dgq s ALA 96 Ca -0.01 -1.10 0.12 0.00 0.00 0.00 0.00 51.96 50.98 2dgq s ALA 96 Cb 0.11 -0.98 1.00 0.00 0.00 0.00 0.00 23.12 23.26 2dgq s ALA 96 CO 0.79 0.60 2.03 0.07 0.00 0.00 0.00 175.76 179.26 2dgq h ARG 97 N 4.45 0.15 0.12 0.00 0.11 -1.89 -2.99 114.38 114.33 2dgq h ARG 97 Ca -0.48 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 2dgq h ARG 97 Cb 1.16 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.22 2dgq h ARG 97 CO 0.52 0.21 -0.06 -0.44 0.10 0.00 0.00 179.97 180.29 2dgq h ASP 98 N 0.14 -0.14 -1.26 0.08 3.32 -1.98 -2.84 116.42 113.74 2dgq h ASP 98 Ca 0.03 -0.42 0.42 0.00 0.02 0.00 0.00 57.03 57.08 2dgq h ASP 98 Cb 0.18 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 39.64 2dgq h ASP 98 CO 0.01 0.45 0.80 0.28 -1.72 0.00 0.00 179.24 179.06 2dgq h SER 99 N -0.85 0.28 0.18 6.45 0.02 -1.86 0.12 113.55 117.88 2dgq h SER 99 Ca -0.02 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2dgq h SER 99 Cb 0.55 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2dgq h SER 99 CO 0.03 -0.18 -0.09 0.00 -1.14 0.00 0.00 176.83 175.46 2dgq h ALA 100 N 1.64 -0.24 -0.52 3.77 0.00 -1.56 -2.71 119.26 119.64 2dgq h ALA 100 Ca 0.80 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.61 2dgq h ALA 100 Cb 2.43 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 20.21 2dgq h ALA 100 CO -0.44 -0.29 -0.11 -0.07 0.00 0.00 0.00 179.25 178.34 2dgq h LEU 101 N -0.93 -0.44 0.09 0.00 3.38 -0.62 0.42 115.31 117.19 2dgq h LEU 101 Ca -0.02 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dgq h LEU 101 Cb 0.48 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dgq h LEU 101 CO 0.04 -0.16 -0.06 0.11 0.09 0.00 0.00 178.44 178.46 2dgq h LYS 102 N 0.02 -0.13 -1.08 1.13 1.57 -1.04 0.04 116.57 117.07 2dgq h LYS 102 Ca 0.25 0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.33 2dgq h LYS 102 Cb 0.39 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 2dgq h LYS 102 CO -0.52 -0.09 0.70 0.00 -0.57 0.00 0.00 179.45 178.97 2dgq h ALA 103 N -1.79 2.35 0.65 3.86 0.00 -1.30 1.59 119.26 124.61 2dgq h ALA 103 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dgq h ALA 103 Cb 0.11 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2dgq h ALA 103 CO 0.01 -0.78 -0.31 0.37 0.00 0.00 0.00 179.25 178.54 2dgq h GLN 104 N 0.33 -0.85 -0.00 0.00 4.15 0.13 0.49 115.11 119.36 2dgq h GLN 104 Ca 0.62 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.10 2dgq h GLN 104 Cb 1.69 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.57 2dgq h GLN 104 CO -0.30 -0.53 -0.01 0.45 -1.93 0.00 0.00 178.83 176.51 2dgq n SER 105 N -5.41 0.03 -0.00 -0.69 2.88 -0.03 -0.19 113.62 110.22 2dgq n SER 105 Ca -0.13 -0.13 0.10 0.00 -1.33 0.00 0.00 58.87 57.38 2dgq n SER 105 Cb 0.37 -0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.28 2.69 -0.05 -1.46 0.00 0.53 -4.62 120.51 116.31 2dgq n ALA 106 Ca 0.14 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 2dgq n ALA 106 Cb 0.25 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.35 1.89 -4.40 0.00 4.77 0.17 -4.53 117.00 112.55 2dgq n LEU 107 Ca -0.05 0.04 -0.51 0.00 -0.03 0.00 0.00 56.01 55.45 2dgq n LEU 107 Cb 0.61 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2dgq n LEU 107 CO 0.45 0.45 1.84 1.57 -1.33 0.00 0.00 177.39 180.37 2dgq n HIS 108 N -3.16 1.35 -3.40 -1.77 -0.00 0.73 0.57 115.22 109.55 2dgq n HIS 108 Ca -0.20 0.42 -0.24 0.00 0.46 0.00 0.00 57.72 58.16 2dgq n HIS 108 Cb 0.68 -2.45 0.06 0.00 -0.12 0.00 0.00 29.99 28.15 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 8.08 -6.65 0.00 1.57 1.02 0.10 -4.84 120.64 119.91 2dgq n GLU 109 Ca 0.48 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.46 2dgq n GLU 109 Cb 0.15 -5.82 0.00 0.00 -0.02 0.00 0.00 31.44 25.75 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 -4.62 0.00 -3.96 3.49 7.27 0.19 -4.99 117.38 114.76 2dgq n GLN 110 Ca -0.03 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.79 2dgq n GLN 110 Cb 0.58 -0.51 -0.03 0.00 2.41 0.00 0.00 30.24 32.69 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 -1.73 3.40 -0.32 3.69 2.47 -1.04 -4.98 119.74 121.24 2dgq s LYS 111 Ca 0.00 -0.67 -0.01 0.00 -1.56 0.00 0.00 55.97 53.73 2dgq s LYS 111 Cb 0.00 -2.92 0.10 0.00 -1.46 0.00 0.00 37.83 33.55 2dgq s LYS 111 CO 0.00 0.49 0.11 0.99 0.16 0.00 0.00 175.35 177.10 2dgq s THR 112 N -1.82 0.76 0.81 3.43 2.01 -1.26 -0.87 115.64 118.70 2dgq s THR 112 Ca 0.34 -1.38 -0.14 0.00 0.31 0.00 0.00 61.69 60.82 2dgq s THR 112 Cb -0.10 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.86 2dgq s THR 112 CO 0.28 -0.70 0.83 0.18 -0.69 0.00 0.00 174.62 174.52 2dgq n LEU 113 N 4.81 2.35 -4.66 4.42 4.77 -1.26 -4.88 117.00 122.55 2dgq n LEU 113 Ca -0.02 0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 56.08 2dgq n LEU 113 Cb 0.41 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2dgq n LEU 113 CO 0.11 -2.54 1.28 -2.16 -1.33 0.00 0.00 177.39 172.76 2dgq s PRO 114 N -3.57 4.17 0.00 3.23 0.04 -1.26 -2.44 135.00 135.17 2dgq s PRO 114 Ca 0.68 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2dgq s PRO 114 Cb -0.29 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2dgq s PRO 114 CO 0.56 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2dgq n GLY 115 N 4.01 0.41 3.29 0.56 0.00 -1.26 -5.00 105.19 107.20 2dgq n GLY 115 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.99 3.21 0.35 1.61 -1.94 -1.02 -4.98 119.30 115.55 2dgq s MET 116 Ca 0.00 -0.74 0.07 0.00 -1.71 0.00 0.00 55.69 53.31 2dgq s MET 116 Cb 0.00 -3.07 0.67 0.00 2.01 0.00 0.00 34.83 34.44 2dgq s MET 116 CO 0.00 -0.28 1.87 -0.91 -0.01 0.00 0.00 175.02 175.68 2dgq h ASN 117 N 8.11 0.34 -2.45 3.03 4.21 -1.97 -3.43 115.58 123.42 2dgq h ASN 117 Ca -0.38 -0.08 -0.52 0.00 1.21 0.00 0.00 56.30 56.54 2dgq h ASN 117 Cb 1.14 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 2dgq h ASN 117 CO 0.60 0.49 -0.46 0.00 -1.29 0.00 0.00 177.43 176.77 2dgq s ARG 118 N -4.74 3.43 1.16 0.81 3.03 -1.26 -5.10 118.95 116.27 2dgq s ARG 118 Ca -0.06 -0.65 -0.18 0.00 2.03 0.00 0.00 55.73 56.87 2dgq s ARG 118 Cb 0.15 -2.94 0.27 0.00 -1.03 0.00 0.00 34.95 31.40 2dgq s ARG 118 CO 0.75 0.49 1.11 -1.25 -1.13 0.00 0.00 175.30 175.27 2dgq s PRO 119 N -3.45 -0.89 -0.06 3.89 0.04 -1.26 -4.61 135.00 128.67 2dgq s PRO 119 Ca 0.34 0.05 -0.23 0.00 0.04 0.00 0.00 61.00 61.20 2dgq s PRO 119 Cb -0.10 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2dgq s PRO 119 CO 0.29 -3.52 0.69 -1.50 0.04 0.00 0.00 177.00 173.00 2dgq s ILE 120 N -3.00 5.02 -0.27 0.56 2.07 -0.05 -4.84 121.20 120.70 2dgq s ILE 120 Ca 0.70 1.43 -0.09 0.00 -1.41 0.00 0.00 60.65 61.28 2dgq s ILE 120 Cb -0.12 -4.03 -0.04 0.00 0.13 0.00 0.00 42.46 38.40 2dgq s ILE 120 CO 0.56 0.27 0.13 -1.10 -1.91 0.00 0.00 174.94 172.89 2dgq s GLN 121 N 0.69 3.75 -0.19 3.50 -1.52 -1.26 -0.72 119.66 123.91 2dgq s GLN 121 Ca 0.37 -0.43 -0.01 0.00 -1.95 0.00 0.00 55.36 53.34 2dgq s GLN 121 Cb -0.18 -3.49 0.05 0.00 -0.22 0.00 0.00 33.01 29.17 2dgq s GLN 121 CO 0.18 -0.21 -0.02 0.08 -0.25 0.00 0.00 175.29 175.07 2dgq s VAL 122 N 1.68 1.01 0.17 1.09 1.01 -1.26 -2.02 120.40 122.08 2dgq s VAL 122 Ca 0.07 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2dgq s VAL 122 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2dgq s VAL 122 CO 0.07 -0.04 -0.18 -1.59 0.00 0.00 0.00 175.10 173.36 2dgq s LYS 123 N 1.65 1.28 -0.97 2.72 -2.85 -0.88 -4.65 119.74 116.06 2dgq s LYS 123 Ca -0.01 -1.42 -0.24 0.00 -1.00 0.00 0.00 55.97 53.29 2dgq s LYS 123 Cb -0.17 -1.33 -0.06 0.00 -2.06 0.00 0.00 37.83 34.22 2dgq s LYS 123 CO -0.07 0.27 1.94 -1.25 0.10 0.00 0.00 175.35 176.34 2dgq s PRO 124 N -2.84 2.54 0.06 1.78 0.04 -1.26 0.14 135.00 135.46 2dgq s PRO 124 Ca 0.16 -0.49 -0.36 0.00 0.04 0.00 0.00 61.00 60.35 2dgq s PRO 124 Cb -0.05 -5.10 -0.19 0.00 0.04 0.00 0.00 34.50 29.19 2dgq s PRO 124 CO 0.07 -3.52 0.89 0.00 0.04 0.00 0.00 177.00 174.47 2dgq n ALA 125 N 14.08 -3.39 -3.32 8.56 0.00 0.14 -1.85 120.51 134.74 2dgq n ALA 125 Ca 0.41 0.55 -0.16 0.00 0.00 0.00 0.00 53.44 54.24 2dgq n ALA 125 Cb 0.47 -1.70 0.08 0.00 0.00 0.00 0.00 19.45 18.29 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 1.01 -2.22 -3.35 0.00 0.00 -1.26 -4.60 120.51 110.09 2dgq n ALA 126 Ca 0.19 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 2dgq n ALA 126 Cb 0.13 -4.06 -0.08 0.00 0.00 0.00 0.00 19.45 15.45 2dgq n ALA 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dgq s SER 127 N -3.86 0.36 0.61 0.00 0.15 -0.77 -5.05 113.70 105.13 2dgq s SER 127 Ca 0.23 0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.86 2dgq s SER 127 Cb -0.03 1.07 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 2dgq s SER 127 CO 0.72 -0.31 0.93 -0.70 1.20 0.00 0.00 173.24 175.07 2dgq s GLU 128 N 2.53 2.91 0.34 5.44 2.12 -1.26 -4.88 118.70 125.89 2dgq s GLU 128 Ca 0.12 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2dgq s GLU 128 Cb -0.15 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.00 2dgq s GLU 128 CO -0.19 -0.74 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 2dgq n GLY 129 N -2.64 -1.96 3.93 -1.50 0.00 -1.26 -4.88 105.19 96.88 2dgq n GLY 129 Ca 0.05 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.73 3.47 -1.32 1.61 3.52 -1.26 -4.99 118.95 118.25 2dgq s ARG 130 Ca 0.00 -0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 2dgq s ARG 130 Cb 0.00 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.39 2dgq s ARG 130 CO 0.00 0.51 2.46 0.41 -0.81 0.00 0.00 175.30 177.87 2dgq n GLY 131 N -0.33 3.82 3.48 8.12 0.00 -1.26 -4.86 105.19 114.17 2dgq n GLY 131 Ca -0.06 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 2dgq n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dgq s GLU 132 N 3.06 3.52 -0.28 1.61 2.56 -1.26 -4.98 118.70 122.94 2dgq s GLU 132 Ca 0.56 -1.44 -0.05 0.00 0.00 0.00 0.00 54.97 54.04 2dgq s GLU 132 Cb 0.15 -4.92 0.01 0.00 2.00 0.00 0.00 34.13 31.37 2dgq s GLU 132 CO -0.04 -1.90 0.03 0.45 -0.56 0.00 0.00 175.26 173.24 2dgq s SER 133 N 3.98 4.83 0.22 -1.70 0.15 -1.26 -5.10 113.70 114.82 2dgq s SER 133 Ca 0.35 -0.75 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 2dgq s SER 133 Cb -0.05 -1.80 -0.08 0.00 -1.71 0.00 0.00 66.02 62.38 2dgq s SER 133 CO -0.06 -0.16 0.60 -0.83 1.20 0.00 0.00 173.24 173.99 2dgq s GLY 134 N 1.44 2.39 0.23 9.45 0.00 -1.26 -5.05 107.32 114.52 2dgq s GLY 134 Ca 0.02 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 2dgq s GLY 134 CO -0.00 0.11 1.29 2.56 0.00 0.00 0.00 173.10 177.05 2dgq s PRO 135 N -2.45 4.41 -0.28 2.90 0.04 -1.26 -5.03 135.00 133.33 2dgq s PRO 135 Ca 0.45 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 2dgq s PRO 135 Cb -0.13 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.35 2dgq s PRO 135 CO 0.20 -0.19 0.89 0.45 0.04 0.00 0.00 177.00 178.39 2dgq s SER 136 N 0.09 -0.63 1.02 6.66 0.15 -1.26 -5.17 113.70 114.55 2dgq s SER 136 Ca 0.54 1.05 -0.15 0.00 0.70 0.00 0.00 55.95 58.09 2dgq s SER 136 Cb -0.36 1.22 0.20 0.00 -1.71 0.00 0.00 66.02 65.36 2dgq s SER 136 CO 0.41 -0.17 1.16 -0.94 1.20 0.00 0.00 173.24 174.89 2dgq s SER 137 N 1.17 2.51 0.00 5.45 1.04 -1.26 -5.32 113.70 117.30 2dgq s SER 137 Ca -0.07 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2dgq s SER 137 Cb -0.04 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.92 2dgq s SER 137 CO -0.14 -3.15 0.00 0.61 0.98 0.00 0.00 173.24 171.54