#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnm n SER 2 N 0.00 -0.92 -0.06 1.61 2.88 -1.26 -4.92 113.62 110.95 2dnm n SER 2 Ca 0.00 1.12 -0.03 0.00 -1.33 0.00 0.00 58.87 58.62 2dnm n SER 2 Cb 0.00 -0.93 -0.01 0.00 -0.75 0.00 0.00 64.21 62.52 2dnm n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dnm h SER 3 N 1.48 0.00 -2.25 -3.46 0.02 -2.04 -3.52 113.55 103.78 2dnm h SER 3 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2dnm h SER 3 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2dnm h SER 3 CO 0.58 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 2dnm n GLY 4 N 1.66 -1.14 3.77 -3.77 0.00 -1.26 -4.93 105.19 99.52 2dnm n GLY 4 Ca -0.05 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 2dnm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnm s SER 5 N -0.55 7.47 -0.30 1.61 1.04 -1.26 -4.95 113.70 116.76 2dnm s SER 5 Ca 0.00 1.84 -0.12 0.00 0.48 0.00 0.00 55.95 58.16 2dnm s SER 5 Cb 0.00 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.67 2dnm s SER 5 CO 0.00 0.07 0.68 -0.55 0.98 0.00 0.00 173.24 174.42 2dnm s SER 6 N -1.37 -1.08 0.00 7.02 0.15 -1.26 -5.17 113.70 112.00 2dnm s SER 6 Ca 0.44 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2dnm s SER 6 Cb -0.22 2.08 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 2dnm s SER 6 CO 0.28 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2dnm n GLY 7 N 5.18 2.04 0.29 9.45 0.00 -1.26 -5.04 105.19 115.85 2dnm n GLY 7 Ca -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 2dnm n GLY 7 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dnm h PRO 8 N 0.00 -0.04 -6.42 1.61 0.11 -2.07 -3.40 132.00 121.80 2dnm h PRO 8 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 2dnm h PRO 8 Cb 0.00 0.01 0.03 0.00 0.11 0.00 0.00 31.00 31.15 2dnm h PRO 8 CO 0.00 -0.03 1.09 -0.25 -0.21 0.00 0.00 178.00 178.60 2dnm n ASP 9 N -5.47 3.78 -4.10 -2.05 8.00 -1.26 -4.96 116.55 110.50 2dnm n ASP 9 Ca 0.08 0.98 -0.34 0.00 0.71 0.00 0.00 54.79 56.22 2dnm n ASP 9 Cb 0.36 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 39.85 2dnm n ASP 9 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2dnm s VAL 10 N 3.18 2.85 -0.22 2.53 -7.23 -1.26 -5.01 120.40 115.24 2dnm s VAL 10 Ca 0.86 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.89 2dnm s VAL 10 Cb -0.56 -2.92 0.07 0.00 0.56 0.00 0.00 36.38 33.53 2dnm s VAL 10 CO 0.42 -0.51 0.56 1.51 -0.31 0.00 0.00 175.10 176.77 2dnm s ASP 11 N 1.39 -0.69 -0.30 4.85 -4.77 -1.26 -4.99 116.67 110.89 2dnm s ASP 11 Ca 0.05 1.19 -0.01 0.00 -3.30 0.00 0.00 52.55 50.48 2dnm s ASP 11 Cb -0.21 1.11 -0.01 0.00 -1.09 0.00 0.00 42.92 42.72 2dnm s ASP 11 CO -0.05 -0.21 0.27 0.61 0.70 0.00 0.00 175.17 176.49 2dnm n GLY 12 N 3.82 -0.07 1.13 2.12 0.00 -1.26 -5.02 105.19 105.91 2dnm n GLY 12 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2dnm n GLY 12 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dnm n MET 13 N -1.76 0.00 -3.77 1.61 0.00 -1.26 -5.08 117.12 106.86 2dnm n MET 13 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.55 2dnm n MET 13 Cb 0.52 -0.44 -0.15 0.00 0.00 0.00 0.00 33.22 33.15 2dnm n MET 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2dnm s ILE 14 N -2.00 -0.05 -0.04 3.17 -1.09 -1.26 -5.03 121.20 114.91 2dnm s ILE 14 Ca 0.00 0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2dnm s ILE 14 Cb 0.00 -0.16 0.03 0.00 -1.58 0.00 0.00 42.46 40.74 2dnm s ILE 14 CO 0.00 0.07 0.00 -0.89 -1.23 0.00 0.00 174.94 172.89 2dnm s THR 15 N 0.96 0.20 -0.13 2.92 2.01 -1.26 -1.59 115.64 118.75 2dnm s THR 15 Ca -0.08 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2dnm s THR 15 Cb -0.10 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2dnm s THR 15 CO -0.04 0.17 0.03 -0.76 -0.69 0.00 0.00 174.62 173.33 2dnm s LEU 16 N 1.27 3.67 -0.31 4.42 1.43 0.20 -3.83 118.68 125.53 2dnm s LEU 16 Ca -0.06 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 2dnm s LEU 16 Cb -0.13 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2dnm s LEU 16 CO -0.02 0.29 0.24 -0.75 0.23 0.00 0.00 176.35 176.34 2dnm s LYS 17 N -0.35 3.74 -0.22 1.70 2.20 0.19 -1.74 119.74 125.26 2dnm s LYS 17 Ca 0.08 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 2dnm s LYS 17 Cb -0.12 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2dnm s LYS 17 CO 0.02 -0.33 0.00 0.08 -0.36 0.00 0.00 175.35 174.76 2dnm s VAL 18 N 1.80 3.87 0.49 4.02 1.01 -0.78 -1.44 120.40 129.36 2dnm s VAL 18 Ca 0.08 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2dnm s VAL 18 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2dnm s VAL 18 CO 0.11 0.40 0.30 -0.62 0.00 0.00 0.00 175.10 175.30 2dnm s ASP 19 N 1.30 4.58 -1.26 3.32 2.15 -0.36 0.78 116.67 127.18 2dnm s ASP 19 Ca 0.04 -1.18 -0.05 0.00 0.43 0.00 0.00 52.55 51.79 2dnm s ASP 19 Cb -0.15 0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 42.55 2dnm s ASP 19 CO 0.01 -0.88 0.72 -3.20 -0.17 0.00 0.00 175.17 171.64 2dnm n ASN 20 N -1.55 -2.44 -4.17 -0.34 5.15 -1.26 -3.88 115.26 106.76 2dnm n ASN 20 Ca -0.03 -0.86 -0.39 0.00 -0.60 0.00 0.00 54.58 52.70 2dnm n ASN 20 Cb 0.64 -3.96 -0.08 0.00 -0.53 0.00 0.00 39.78 35.85 2dnm n ASN 20 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dnm s LEU 21 N -6.53 5.62 1.00 1.20 1.43 -1.24 -4.85 118.68 115.32 2dnm s LEU 21 Ca 0.14 -2.40 -0.19 0.00 -1.03 0.00 0.00 54.13 50.65 2dnm s LEU 21 Cb -0.04 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 2dnm s LEU 21 CO 0.82 -0.53 -0.63 1.07 0.23 0.00 0.00 176.35 177.31 2dnm n THR 22 N 4.19 0.00 0.15 5.49 5.66 -1.26 -4.73 114.28 123.78 2dnm n THR 22 Ca 0.02 -0.29 -0.14 0.00 -3.05 0.00 0.00 64.05 60.59 2dnm n THR 22 Cb 0.41 -0.21 -0.07 0.00 -1.55 0.00 0.00 70.33 68.91 2dnm n THR 22 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2dnm h TYR 23 N -1.25 -0.91 -1.31 1.09 5.03 -1.98 -1.06 116.97 116.58 2dnm h TYR 23 Ca -0.44 0.02 0.38 0.00 2.58 0.00 0.00 58.73 61.27 2dnm h TYR 23 Cb 1.33 0.37 -0.05 0.00 1.55 0.00 0.00 36.73 39.93 2dnm h TYR 23 CO 0.19 -0.45 1.20 0.54 -1.32 0.00 0.00 178.16 178.32 2dnm n ARG 24 N -5.43 0.01 -1.68 1.82 3.00 -1.26 -4.42 116.66 108.70 2dnm n ARG 24 Ca -0.08 0.96 -0.46 0.00 -0.01 0.00 0.00 57.85 58.27 2dnm n ARG 24 Cb 0.34 -2.31 -0.04 0.00 0.00 0.00 0.00 32.46 30.45 2dnm n ARG 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2dnm n THR 25 N -3.36 0.19 -4.27 0.55 -1.04 -0.40 -4.99 114.28 100.97 2dnm n THR 25 Ca 0.29 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 62.12 2dnm n THR 25 Cb 1.59 -1.75 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 2dnm n THR 25 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dnm s SER 26 N 1.91 1.68 0.32 8.00 0.01 -1.26 -5.00 113.70 119.36 2dnm s SER 26 Ca 0.82 -1.10 0.10 0.00 1.31 0.00 0.00 55.95 57.09 2dnm s SER 26 Cb -0.63 0.02 0.96 0.00 0.21 0.00 0.00 66.02 66.58 2dnm s SER 26 CO 0.40 -0.43 1.65 -0.65 0.41 0.00 0.00 173.24 174.63 2dnm h PRO 27 N 2.69 0.26 0.88 12.44 0.11 -1.97 0.18 132.00 146.59 2dnm h PRO 27 Ca -0.37 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 2dnm h PRO 27 Cb 1.20 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.26 2dnm h PRO 27 CO 0.64 0.17 -0.45 0.22 -0.21 0.00 0.00 178.00 178.37 2dnm h ASP 28 N 0.27 -1.07 0.71 -2.05 1.82 -1.99 -1.71 116.42 112.39 2dnm h ASP 28 Ca 0.67 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 57.33 2dnm h ASP 28 Cb 1.49 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 41.78 2dnm h ASP 28 CO -0.64 -0.74 -0.49 0.77 -1.61 0.00 0.00 179.24 176.53 2dnm h SER 29 N -1.21 -1.28 -1.15 2.28 4.64 -1.63 0.21 113.55 115.41 2dnm h SER 29 Ca -0.12 0.08 0.38 0.00 -0.47 0.00 0.00 61.79 61.66 2dnm h SER 29 Cb 0.94 0.39 -0.14 0.00 -0.31 0.00 0.00 62.40 63.28 2dnm h SER 29 CO 0.18 -0.73 0.70 0.25 -0.87 0.00 0.00 176.83 176.37 2dnm h LEU 30 N -1.14 0.36 0.17 5.97 5.85 -1.06 0.48 115.31 125.94 2dnm h LEU 30 Ca -0.09 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2dnm h LEU 30 Cb 0.94 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2dnm h LEU 30 CO 0.05 -0.17 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.81 2dnm h ARG 31 N 0.18 -0.22 -1.02 1.25 2.43 -0.69 -3.18 114.38 113.12 2dnm h ARG 31 Ca 0.77 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 60.26 2dnm h ARG 31 Cb 2.13 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 31.69 2dnm h ARG 31 CO -0.51 0.18 0.92 -0.09 -1.51 0.00 0.00 179.97 178.96 2dnm h ARG 32 N -0.89 0.00 0.25 0.20 2.43 0.11 0.11 114.38 116.59 2dnm h ARG 32 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2dnm h ARG 32 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2dnm h ARG 32 CO 0.04 0.00 -0.17 0.28 -1.51 0.00 0.00 179.97 178.60 2dnm h VAL 33 N 0.00 0.63 -0.93 0.20 2.07 -1.28 -2.71 116.25 114.23 2dnm h VAL 33 Ca 0.49 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.57 2dnm h VAL 33 Cb 2.32 0.63 -0.26 0.00 -1.52 0.00 0.00 31.29 32.46 2dnm h VAL 33 CO -0.01 0.00 0.55 0.49 0.02 0.00 0.00 177.57 178.63 2dnm n PHE 34 N -5.30 2.92 -0.10 1.57 3.72 0.30 -4.42 117.46 116.16 2dnm n PHE 34 Ca -0.09 -1.67 -0.21 0.00 -0.05 0.00 0.00 57.45 55.43 2dnm n PHE 34 Cb 0.21 -0.88 -0.12 0.00 -0.94 0.00 0.00 39.48 37.76 2dnm n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2dnm h GLU 35 N 1.50 0.01 0.00 -1.08 5.08 -1.00 -1.77 114.58 117.32 2dnm h GLU 35 Ca 0.54 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2dnm h GLU 35 Cb 2.74 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.99 2dnm h GLU 35 CO 1.01 1.01 0.00 1.63 -1.00 0.00 0.00 179.01 181.66 2dnm n LYS 36 N -4.41 0.06 -0.03 2.33 5.02 -1.25 -3.23 118.16 116.65 2dnm n LYS 36 Ca -0.31 0.27 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 2dnm n LYS 36 Cb 0.68 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 2dnm n LYS 36 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2dnm n TYR 37 N -1.35 0.00 -4.35 2.13 4.01 -1.25 -5.10 117.16 111.24 2dnm n TYR 37 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.57 2dnm n TYR 37 Cb 0.06 -0.31 -0.09 0.00 -0.31 0.00 0.00 39.34 38.69 2dnm n TYR 37 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dnm s GLY 38 N -4.71 2.13 -0.91 2.72 0.00 -0.66 -4.97 107.32 100.92 2dnm s GLY 38 Ca -0.15 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.70 2dnm s GLY 38 CO 0.20 -1.61 0.95 0.50 0.00 0.00 0.00 173.10 173.14 2dnm s ARG 39 N -3.79 3.68 -0.65 2.90 0.52 -1.26 -3.73 118.95 116.63 2dnm s ARG 39 Ca 0.35 -2.31 -0.36 0.00 -0.52 0.00 0.00 55.73 52.88 2dnm s ARG 39 Cb 0.05 -4.63 -0.18 0.00 0.52 0.00 0.00 34.95 30.71 2dnm s ARG 39 CO 0.18 -1.47 2.37 0.28 0.02 0.00 0.00 175.30 176.68 2dnm n VAL 40 N 4.38 0.03 0.19 3.52 0.31 -1.26 -4.31 118.33 121.19 2dnm n VAL 40 Ca 0.19 -0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 2dnm n VAL 40 Cb 0.47 -0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 32.38 2dnm n VAL 40 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2dnm h GLY 41 N 11.66 -1.08 -5.56 2.92 0.00 0.11 -3.44 103.07 107.68 2dnm h GLY 41 Ca -0.13 0.56 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2dnm h GLY 41 CO 1.19 -0.31 -0.25 0.99 0.00 0.00 0.00 176.54 178.16 2dnm s ASP 42 N -4.57 -0.56 -0.03 0.19 1.11 -1.23 -4.97 116.67 106.61 2dnm s ASP 42 Ca -0.17 1.03 -0.16 0.00 0.18 0.00 0.00 52.55 53.43 2dnm s ASP 42 Cb 0.06 1.02 -0.05 0.00 1.07 0.00 0.00 42.92 45.01 2dnm s ASP 42 CO 0.62 -0.21 0.44 -0.69 1.18 0.00 0.00 175.17 176.51 2dnm s VAL 43 N 1.69 5.05 -0.04 -1.27 1.01 -1.26 -1.84 120.40 123.74 2dnm s VAL 43 Ca -0.08 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2dnm s VAL 43 Cb -0.09 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2dnm s VAL 43 CO -0.14 0.50 -0.02 -0.47 0.00 0.00 0.00 175.10 174.97 2dnm s TYR 44 N -0.54 0.59 -0.31 5.22 6.14 -0.39 -5.04 117.35 123.01 2dnm s TYR 44 Ca 0.25 -0.13 0.02 0.00 0.64 0.00 0.00 57.07 57.85 2dnm s TYR 44 Cb -0.16 -0.61 0.09 0.00 0.42 0.00 0.00 41.96 41.70 2dnm s TYR 44 CO 0.13 -0.20 0.05 0.42 0.64 0.00 0.00 175.55 176.59 2dnm s ILE 45 N 1.18 1.62 0.97 3.14 1.01 -1.26 -1.73 121.20 126.12 2dnm s ILE 45 Ca -0.07 -1.81 -0.19 0.00 0.00 0.00 0.00 60.65 58.58 2dnm s ILE 45 Cb -0.14 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2dnm s ILE 45 CO -0.02 -0.56 -0.52 -2.65 0.00 0.00 0.00 174.94 171.19 2dnm n PRO 46 N 4.55 -0.93 -4.17 2.79 -0.02 -1.26 -4.84 135.00 131.11 2dnm n PRO 46 Ca -0.01 -0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.10 2dnm n PRO 46 Cb 0.42 -1.29 -0.10 0.00 -0.02 0.00 0.00 33.50 32.51 2dnm n PRO 46 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2dnm s ARG 47 N -2.71 0.94 0.15 -0.52 1.70 -1.26 -3.81 118.95 113.43 2dnm s ARG 47 Ca 0.37 -1.43 -0.28 0.00 -0.47 0.00 0.00 55.73 53.92 2dnm s ARG 47 Cb -0.00 0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 34.32 2dnm s ARG 47 CO 0.50 -0.17 0.88 -2.00 -1.08 0.00 0.00 175.30 173.43 2dnm s GLU 48 N -3.96 4.67 0.64 3.89 2.12 -0.56 -4.63 118.70 120.88 2dnm s GLU 48 Ca 0.20 1.32 0.20 0.00 0.36 0.00 0.00 54.97 57.05 2dnm s GLU 48 Cb 0.07 -3.32 0.98 0.00 0.26 0.00 0.00 34.13 32.12 2dnm s GLU 48 CO 0.00 0.39 1.53 -1.35 -0.54 0.00 0.00 175.26 175.30 2dnm h PRO 49 N 4.92 0.00 0.00 4.30 0.11 -2.01 -3.00 132.00 136.32 2dnm h PRO 49 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dnm h PRO 49 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2dnm h PRO 49 CO 0.69 0.00 -0.21 0.72 -0.21 0.00 0.00 178.00 178.99 2dnm n HIS 50 N -2.95 0.00 -3.06 0.65 8.25 -1.26 -5.04 115.22 111.82 2dnm n HIS 50 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 2dnm n HIS 50 Cb 0.79 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.78 2dnm n HIS 50 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dnm s THR 51 N -1.47 4.96 -1.34 1.59 -1.32 -1.13 -4.97 115.64 111.96 2dnm s THR 51 Ca -0.06 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.56 2dnm s THR 51 Cb 0.01 -3.79 0.14 0.00 -1.51 0.00 0.00 72.50 67.35 2dnm s THR 51 CO 0.09 -0.55 0.89 1.17 -2.21 0.00 0.00 174.62 174.01 2dnm n LYS 52 N -1.54 1.57 -3.26 7.08 4.81 -1.26 -1.84 118.16 123.72 2dnm n LYS 52 Ca -0.01 -0.56 -0.37 0.00 -0.87 0.00 0.00 58.31 56.50 2dnm n LYS 52 Cb 0.55 -1.42 -0.06 0.00 0.02 0.00 0.00 35.03 34.12 2dnm n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dnm s ALA 53 N -1.54 3.54 0.39 3.14 0.00 -1.26 -4.75 121.76 121.28 2dnm s ALA 53 Ca 0.10 0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 2dnm s ALA 53 Cb 0.07 -2.64 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 2dnm s ALA 53 CO 0.04 0.40 0.65 -2.30 0.00 0.00 0.00 175.76 174.55 2dnm n PRO 54 N 1.07 0.70 -0.04 0.00 -0.02 -1.25 -1.50 135.00 133.97 2dnm n PRO 54 Ca -0.06 0.25 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 2dnm n PRO 54 Cb 0.51 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 32.29 2dnm n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dnm h ARG 55 N 1.02 0.09 0.00 -0.52 3.08 -1.82 -3.43 114.38 112.80 2dnm h ARG 55 Ca -0.40 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.49 2dnm h ARG 55 Cb 1.39 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.50 2dnm h ARG 55 CO 0.53 1.07 0.00 0.41 -1.07 0.00 0.00 179.97 180.92 2dnm n GLY 56 N 1.62 -1.38 3.85 0.04 0.00 -1.26 -5.05 105.19 103.01 2dnm n GLY 56 Ca -0.13 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 2dnm n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dnm s PHE 57 N 0.00 3.43 0.24 1.61 -0.12 -1.26 -3.59 117.98 118.29 2dnm s PHE 57 Ca 0.00 1.32 0.01 0.00 -0.05 0.00 0.00 56.93 58.21 2dnm s PHE 57 Cb 0.00 -2.80 -0.05 0.00 -0.63 0.00 0.00 43.02 39.54 2dnm s PHE 57 CO 0.00 -0.92 0.08 0.00 -0.05 0.00 0.00 175.22 174.34 2dnm s ALA 58 N -3.14 1.62 -0.04 1.99 0.00 0.23 -4.44 121.76 117.98 2dnm s ALA 58 Ca 0.56 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2dnm s ALA 58 Cb -0.12 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2dnm s ALA 58 CO 0.54 -0.44 -0.04 -0.06 0.00 0.00 0.00 175.76 175.76 2dnm s PHE 59 N -3.77 0.68 -0.08 0.00 0.40 -0.71 -1.87 117.98 112.64 2dnm s PHE 59 Ca 0.35 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.53 2dnm s PHE 59 Cb 0.07 -0.62 0.01 0.00 0.51 0.00 0.00 43.02 43.00 2dnm s PHE 59 CO 0.12 -0.17 -0.14 0.08 0.70 0.00 0.00 175.22 175.80 2dnm s VAL 60 N 0.87 1.32 0.13 -0.44 1.01 -0.71 -1.26 120.40 121.31 2dnm s VAL 60 Ca -0.11 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 2dnm s VAL 60 Cb -0.14 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 2dnm s VAL 60 CO 0.00 0.40 0.40 -0.13 0.00 0.00 0.00 175.10 175.77 2dnm s ARG 61 N 0.69 3.68 0.35 2.72 0.52 -0.76 -0.63 118.95 125.52 2dnm s ARG 61 Ca -0.14 0.04 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 2dnm s ARG 61 Cb -0.16 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 2dnm s ARG 61 CO 0.03 0.48 0.10 -0.06 0.02 0.00 0.00 175.30 175.88 2dnm s PHE 62 N -1.59 1.79 -0.24 -0.53 0.40 -0.62 0.15 117.98 117.34 2dnm s PHE 62 Ca 0.39 -1.16 -0.08 0.00 -0.60 0.00 0.00 56.93 55.49 2dnm s PHE 62 Cb -0.13 -1.14 -0.12 0.00 0.51 0.00 0.00 43.02 42.15 2dnm s PHE 62 CO 0.22 -0.21 -0.28 0.72 0.70 0.00 0.00 175.22 176.36 2dnm n HIS 63 N -0.73 0.00 -4.00 0.36 8.25 -1.26 -4.20 115.22 113.63 2dnm n HIS 63 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.21 2dnm n HIS 63 Cb 0.66 -0.88 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 2dnm n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dnm s ASP 64 N -6.89 5.57 -0.07 0.41 2.15 -1.26 -4.89 116.67 111.70 2dnm s ASP 64 Ca -0.33 -0.27 -0.01 0.00 0.43 0.00 0.00 52.55 52.37 2dnm s ASP 64 Cb 0.11 -1.34 -0.00 0.00 -0.30 0.00 0.00 42.92 41.39 2dnm s ASP 64 CO 0.47 -0.13 -0.02 -0.09 -0.17 0.00 0.00 175.17 175.23 2dnm h ARG 65 N 1.38 0.00 0.00 4.34 2.43 -1.95 -3.31 114.38 117.27 2dnm h ARG 65 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2dnm h ARG 65 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2dnm h ARG 65 CO 0.60 0.00 0.54 -0.09 -1.51 0.00 0.00 179.97 179.51 2dnm h ARG 66 N -0.69 0.00 -0.01 0.20 9.65 -1.98 0.18 114.38 121.74 2dnm h ARG 66 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2dnm h ARG 66 Cb 0.04 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2dnm h ARG 66 CO 0.00 0.00 -0.01 -0.44 2.80 0.00 0.00 179.97 182.32 2dnm h ASP 67 N 0.00 0.02 -0.32 -3.80 5.19 -1.94 -2.43 116.42 113.15 2dnm h ASP 67 Ca 0.00 -0.55 -0.14 0.00 -0.62 0.00 0.00 57.03 55.72 2dnm h ASP 67 Cb 1.09 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 2dnm h ASP 67 CO 0.00 0.57 -0.34 0.00 -3.12 0.00 0.00 179.24 176.35 2dnm h ALA 68 N 0.45 0.47 0.00 3.45 0.00 -0.74 -1.59 119.26 121.30 2dnm h ALA 68 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2dnm h ALA 68 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dnm h ALA 68 CO 0.00 0.54 -0.06 -0.56 0.00 0.00 0.00 179.25 179.17 2dnm h GLN 69 N 0.57 0.00 0.00 0.00 3.07 -1.45 -0.62 115.11 116.67 2dnm h GLN 69 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.69 2dnm h GLN 69 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.47 2dnm h GLN 69 CO 0.08 0.06 -0.55 -0.44 0.09 0.00 0.00 178.83 178.07 2dnm h ASP 70 N 0.00 0.00 -0.70 0.06 5.19 -1.24 -3.08 116.42 116.65 2dnm h ASP 70 Ca -0.00 -0.75 0.04 0.00 -0.62 0.00 0.00 57.03 55.70 2dnm h ASP 70 Cb 0.15 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 2dnm h ASP 70 CO 0.01 1.20 0.46 0.00 -3.12 0.00 0.00 179.24 177.79 2dnm h ALA 71 N -0.25 1.63 0.17 3.45 0.00 -1.10 -2.07 119.26 121.08 2dnm h ALA 71 Ca -0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dnm h ALA 71 Cb 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dnm h ALA 71 CO -0.09 0.29 -0.08 1.49 0.00 0.00 0.00 179.25 180.86 2dnm h GLU 72 N 0.82 -0.22 -1.24 0.00 4.81 -1.26 -2.30 114.58 115.19 2dnm h GLU 72 Ca 0.29 0.01 0.42 0.00 -0.13 0.00 0.00 59.36 59.95 2dnm h GLU 72 Cb 0.11 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.40 2dnm h GLU 72 CO -0.09 -0.14 0.78 0.00 -0.73 0.00 0.00 179.01 178.83 2dnm h ALA 73 N -1.78 2.58 0.64 2.92 0.00 -1.51 0.52 119.26 122.63 2dnm h ALA 73 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2dnm h ALA 73 Cb 0.17 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2dnm h ALA 73 CO 0.04 -1.23 -0.31 0.00 0.00 0.00 0.00 179.25 177.75 2dnm h ALA 74 N 1.68 -0.86 0.57 0.00 0.00 -1.38 -3.36 119.26 115.91 2dnm h ALA 74 Ca 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 2dnm h ALA 74 Cb 2.44 0.33 0.01 0.00 0.00 0.00 0.00 17.79 20.56 2dnm h ALA 74 CO -0.49 -0.83 -0.27 0.52 0.00 0.00 0.00 179.25 178.18 2dnm h MET 75 N -1.16 -0.74 -5.25 0.00 2.07 -0.29 -3.43 114.93 106.13 2dnm h MET 75 Ca -0.09 0.05 -0.73 0.00 -2.07 0.00 0.00 59.70 56.87 2dnm h MET 75 Cb 0.69 0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.58 2dnm h MET 75 CO 0.14 -0.49 0.85 -3.47 1.07 0.00 0.00 176.91 175.01 2dnm n ASP 76 N -4.68 0.88 -0.10 1.22 2.03 0.16 -0.97 116.55 115.09 2dnm n ASP 76 Ca -0.10 0.84 0.00 0.00 0.52 0.00 0.00 54.79 56.05 2dnm n ASP 76 Cb 0.30 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 2dnm n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dnm n GLY 77 N 4.87 1.16 3.77 0.27 0.00 -1.26 -4.83 105.19 109.17 2dnm n GLY 77 Ca 0.37 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2dnm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnm s ALA 78 N -2.19 3.81 -0.40 4.61 0.00 -0.14 -5.10 121.76 122.35 2dnm s ALA 78 Ca 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.20 2dnm s ALA 78 Cb 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2dnm s ALA 78 CO 0.00 -0.20 0.21 -2.00 0.00 0.00 0.00 175.76 173.77 2dnm s GLU 79 N -3.96 2.50 -0.04 0.00 2.12 -1.26 -4.25 118.70 113.81 2dnm s GLU 79 Ca 0.34 -1.45 -0.09 0.00 0.36 0.00 0.00 54.97 54.13 2dnm s GLU 79 Cb 0.03 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.77 2dnm s GLU 79 CO 0.19 -0.90 0.20 -0.51 -0.54 0.00 0.00 175.26 173.70 2dnm s LEU 80 N 1.37 1.26 -1.27 2.70 1.43 -0.88 -4.87 118.68 118.42 2dnm s LEU 80 Ca 0.02 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2dnm s LEU 80 Cb -0.22 0.80 0.04 0.00 0.03 0.00 0.00 46.19 46.84 2dnm s LEU 80 CO 0.01 -0.24 0.36 0.47 0.23 0.00 0.00 176.35 177.18 2dnm n ASP 81 N 2.16 -4.20 -2.50 2.29 9.92 -1.26 -0.30 116.55 122.66 2dnm n ASP 81 Ca -0.18 -0.20 -0.19 0.00 -0.53 0.00 0.00 54.79 53.69 2dnm n ASP 81 Cb 0.57 -3.48 -0.00 0.00 -0.64 0.00 0.00 41.12 37.57 2dnm n ASP 81 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dnm n GLY 82 N -1.12 -0.50 3.47 0.44 0.00 -1.26 -4.95 105.19 101.27 2dnm n GLY 82 Ca -0.07 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2dnm n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dnm s ARG 83 N -5.14 1.32 -1.19 1.61 0.52 0.59 -5.09 118.95 111.56 2dnm s ARG 83 Ca 0.04 -0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 54.43 2dnm s ARG 83 Cb -0.02 0.54 0.20 0.00 0.52 0.00 0.00 34.95 36.19 2dnm s ARG 83 CO 0.05 -0.56 1.41 -1.91 0.02 0.00 0.00 175.30 174.31 2dnm n GLU 84 N -0.34 3.46 -1.70 3.54 2.13 -1.26 -2.07 120.64 124.40 2dnm n GLU 84 Ca -0.13 -3.98 -0.65 0.00 0.66 0.00 0.00 57.16 53.07 2dnm n GLU 84 Cb 0.63 -2.91 -0.09 0.00 0.27 0.00 0.00 31.44 29.34 2dnm n GLU 84 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2dnm n LEU 85 N 4.72 1.49 -4.54 4.31 4.77 -1.26 -4.82 117.00 121.68 2dnm n LEU 85 Ca 0.34 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 57.02 2dnm n LEU 85 Cb 0.41 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 2dnm n LEU 85 CO 0.61 -0.73 1.23 -0.13 -1.33 0.00 0.00 177.39 177.05 2dnm s ARG 86 N 3.41 3.37 -0.45 3.23 0.52 -1.25 -4.28 118.95 123.50 2dnm s ARG 86 Ca 1.04 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 55.42 2dnm s ARG 86 Cb -1.38 -4.71 0.11 0.00 0.52 0.00 0.00 34.95 29.49 2dnm s ARG 86 CO 0.76 -2.11 0.29 0.08 0.02 0.00 0.00 175.30 174.35 2dnm s VAL 87 N 5.02 3.87 0.21 3.52 1.01 -1.26 -1.23 120.40 131.55 2dnm s VAL 87 Ca 0.38 -1.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.41 2dnm s VAL 87 Cb -0.06 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2dnm s VAL 87 CO 0.03 -0.74 0.29 0.00 0.00 0.00 0.00 175.10 174.68 2dnm s GLN 88 N 1.28 1.32 0.35 2.72 -2.07 -0.52 -4.22 119.66 118.52 2dnm s GLN 88 Ca 0.07 -1.38 -0.28 0.00 -1.82 0.00 0.00 55.36 51.94 2dnm s GLN 88 Cb -0.25 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 31.94 2dnm s GLN 88 CO -0.02 -0.49 1.35 0.08 -1.32 0.00 0.00 175.29 174.89 2dnm s VAL 89 N -4.06 2.53 0.00 3.63 1.01 -1.26 0.58 120.40 122.82 2dnm s VAL 89 Ca 0.28 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2dnm s VAL 89 Cb 0.03 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2dnm s VAL 89 CO 0.08 0.12 0.82 0.00 0.00 0.00 0.00 175.10 176.12 2dnm n ALA 90 N 0.63 -0.24 -2.89 5.51 0.00 -1.25 -4.62 120.51 117.66 2dnm n ALA 90 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2dnm n ALA 90 Cb 0.41 0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 2dnm n ALA 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dnm s ARG 91 N -2.29 1.52 -0.09 0.00 6.06 -1.26 -4.99 118.95 117.90 2dnm s ARG 91 Ca 0.00 -0.53 0.00 0.00 -2.50 0.00 0.00 55.73 52.70 2dnm s ARG 91 Cb 0.00 -1.36 -0.03 0.00 0.06 0.00 0.00 34.95 33.63 2dnm s ARG 91 CO 0.00 0.22 -0.08 1.52 -2.50 0.00 0.00 175.30 174.46 2dnm s TYR 92 N 0.03 2.91 0.00 5.12 1.13 -1.26 -5.08 117.35 120.19 2dnm s TYR 92 Ca -0.02 -0.16 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 2dnm s TYR 92 Cb -0.10 -1.77 0.00 0.00 -1.10 0.00 0.00 41.96 38.99 2dnm s TYR 92 CO 0.01 0.16 0.00 0.41 -2.51 0.00 0.00 175.55 173.62 2dnm n GLY 93 N 2.69 1.18 1.52 5.49 0.00 -1.26 -5.09 105.19 109.72 2dnm n GLY 93 Ca -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2dnm n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dnm n ARG 94 N 0.00 0.00 -2.75 1.61 0.63 -1.26 -5.07 116.66 109.82 2dnm n ARG 94 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2dnm n ARG 94 Cb 0.00 -0.22 -0.04 0.00 0.45 0.00 0.00 32.46 32.64 2dnm n ARG 94 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2dnm s ARG 95 N -1.97 4.67 -0.04 -0.14 3.52 -1.26 -5.05 118.95 118.68 2dnm s ARG 95 Ca 0.00 1.41 -0.20 0.00 -0.13 0.00 0.00 55.73 56.81 2dnm s ARG 95 Cb 0.00 -3.38 0.04 0.00 -1.56 0.00 0.00 34.95 30.05 2dnm s ARG 95 CO 0.00 0.20 0.43 0.16 -0.81 0.00 0.00 175.30 175.29 2dnm s ASP 96 N 0.05 -0.36 0.09 -2.12 -4.77 -1.26 -5.18 116.67 103.13 2dnm s ASP 96 Ca 0.46 0.36 -0.26 0.00 -3.30 0.00 0.00 52.55 49.81 2dnm s ASP 96 Cb -0.23 0.44 0.08 0.00 -1.09 0.00 0.00 42.92 42.12 2dnm s ASP 96 CO 0.29 -0.46 0.83 -1.48 0.70 0.00 0.00 175.17 175.05 2dnm s LEU 97 N -1.12 -0.35 -0.05 2.11 0.05 -1.26 -5.18 118.68 112.88 2dnm s LEU 97 Ca -0.11 -0.15 -0.04 0.00 0.05 0.00 0.00 54.13 53.88 2dnm s LEU 97 Cb -0.04 2.23 0.02 0.00 -2.05 0.00 0.00 46.19 46.36 2dnm s LEU 97 CO 0.06 -0.82 0.13 -0.44 -0.55 0.00 0.00 176.35 174.72 2dnm s SER 98 N -2.68 -0.11 0.00 1.48 0.01 -1.26 -5.15 113.70 105.98 2dnm s SER 98 Ca 0.06 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dnm s SER 98 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2dnm s SER 98 CO -0.06 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2dnm n GLY 99 N 3.49 1.97 3.68 3.44 0.00 -1.26 -5.13 105.19 111.38 2dnm n GLY 99 Ca -0.18 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2dnm n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnm s PRO 100 N -2.00 4.32 0.15 1.61 0.04 -1.26 -4.99 135.00 132.87 2dnm s PRO 100 Ca 0.00 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 2dnm s PRO 100 Cb 0.00 -3.62 -0.10 0.00 0.04 0.00 0.00 34.50 30.83 2dnm s PRO 100 CO 0.00 -0.51 1.58 0.45 0.04 0.00 0.00 177.00 178.56 2dnm s SER 101 N 1.49 6.59 -0.56 6.66 0.15 -1.26 -4.97 113.70 121.79 2dnm s SER 101 Ca 0.52 2.60 -0.03 0.00 0.70 0.00 0.00 55.95 59.74 2dnm s SER 101 Cb -0.21 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.65 2dnm s SER 101 CO 0.17 -0.83 0.37 -0.55 1.20 0.00 0.00 173.24 173.60 2dnm s SER 102 N 1.33 5.20 0.00 5.45 0.15 -1.26 -5.18 113.70 119.39 2dnm s SER 102 Ca 0.71 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 54.71 2dnm s SER 102 Cb -0.43 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2dnm s SER 102 CO 0.31 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.95