#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyq s ALA 2 N 0.00 1.91 0.00 2.61 0.00 -1.26 -5.08 121.76 119.94 2jyq s ALA 2 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2jyq s ALA 2 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2jyq s ALA 2 CO 0.00 -1.27 0.00 0.39 0.00 0.00 0.00 175.76 174.88 2jyq n GLU 3 N 4.69 0.00 -0.11 0.00 -0.58 -1.26 -4.03 120.64 119.34 2jyq n GLU 3 Ca -0.10 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.45 2jyq n GLU 3 Cb 0.44 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.24 2jyq n GLU 3 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jyq n GLU 4 N -1.88 0.55 0.19 3.49 4.71 -1.26 -4.58 120.64 121.87 2jyq n GLU 4 Ca 0.00 0.27 0.04 0.00 -0.01 0.00 0.00 57.16 57.46 2jyq n GLU 4 Cb 0.00 -1.49 0.37 0.00 -1.01 0.00 0.00 31.44 29.31 2jyq n GLU 4 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 177.13 177.33 2jyq h TRP 5 N -1.00 0.00 -3.29 -0.32 5.08 -1.94 -3.43 115.95 111.05 2jyq h TRP 5 Ca -0.34 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.08 2jyq h TRP 5 Cb 1.27 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.38 2jyq h TRP 5 CO -0.24 0.38 0.50 -0.47 -1.28 0.00 0.00 178.44 177.33 2jyq s TYR 6 N -4.02 3.52 -0.27 0.12 5.04 -1.26 -1.33 117.35 119.16 2jyq s TYR 6 Ca -0.02 1.55 0.09 0.00 -2.44 0.00 0.00 57.07 56.24 2jyq s TYR 6 Cb 0.13 -3.14 0.45 0.00 0.35 0.00 0.00 41.96 39.75 2jyq s TYR 6 CO 0.71 -0.19 1.26 1.19 -1.34 0.00 0.00 175.55 177.18 2jyq n PHE 7 N 4.85 1.40 -4.53 4.97 3.01 -0.43 -4.60 117.46 122.13 2jyq n PHE 7 Ca 0.07 -1.87 0.00 0.00 1.01 0.00 0.00 57.45 56.66 2jyq n PHE 7 Cb 0.49 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 2jyq n PHE 7 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jyq n GLY 8 N -0.94 1.53 2.45 1.37 0.00 -1.26 -3.67 105.19 104.67 2jyq n GLY 8 Ca 0.33 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2jyq n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jyq n LYS 9 N 11.06 3.39 -2.02 1.61 5.02 -1.26 0.44 118.16 136.40 2jyq n LYS 9 Ca 0.00 -4.36 -0.35 0.00 -2.02 0.00 0.00 58.31 51.59 2jyq n LYS 9 Cb 0.00 -2.26 0.03 0.00 -0.02 0.00 0.00 35.03 32.78 2jyq n LYS 9 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2jyq s ILE 10 N -5.35 2.95 0.84 -0.18 -4.36 -1.24 -4.90 121.20 108.97 2jyq s ILE 10 Ca 0.49 0.55 -0.13 0.00 -0.26 0.00 0.00 60.65 61.31 2jyq s ILE 10 Cb 0.41 -3.17 0.11 0.00 1.25 0.00 0.00 42.46 41.06 2jyq s ILE 10 CO -0.17 -0.17 1.21 0.42 0.24 0.00 0.00 174.94 176.47 2jyq s THR 11 N -1.84 2.02 0.12 8.37 -4.23 -1.26 -4.82 115.64 113.99 2jyq s THR 11 Ca 0.73 -0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 61.01 2jyq s THR 11 Cb -0.26 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 2jyq s THR 11 CO 0.33 0.00 1.77 -0.09 -0.54 0.00 0.00 174.62 176.09 2jyq h ARG 12 N -1.19 0.23 -0.41 3.99 2.43 -1.99 -1.06 114.38 116.39 2jyq h ARG 12 Ca -0.45 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.76 2jyq h ARG 12 Cb 1.30 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 2jyq h ARG 12 CO 0.57 0.15 0.12 -0.09 -1.51 0.00 0.00 179.97 179.22 2jyq h ARG 13 N 0.24 0.26 -0.66 0.20 2.43 -1.98 0.31 114.38 115.19 2jyq h ARG 13 Ca 0.07 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2jyq h ARG 13 Cb -0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2jyq h ARG 13 CO -0.03 0.17 0.19 0.93 -1.51 0.00 0.00 179.97 179.73 2jyq h GLU 14 N 0.27 1.03 -0.15 0.20 5.08 -1.89 0.22 114.58 119.34 2jyq h GLU 14 Ca 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2jyq h GLU 14 Cb 0.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jyq h GLU 14 CO -0.22 0.91 0.07 1.03 -1.00 0.00 0.00 179.01 179.80 2jyq h SER 15 N 0.96 0.21 0.59 1.42 0.87 -0.36 -2.83 113.55 114.41 2jyq h SER 15 Ca 0.21 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 2jyq h SER 15 Cb 0.32 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2jyq h SER 15 CO -0.00 0.30 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.88 2jyq h GLU 16 N 0.10 0.00 -0.02 2.24 5.08 -0.19 -1.24 114.58 120.55 2jyq h GLU 16 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jyq h GLU 16 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jyq h GLU 16 CO -0.00 0.38 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.27 2jyq h ARG 17 N 0.00 0.02 0.00 2.33 2.43 -0.34 0.37 114.38 119.20 2jyq h ARG 17 Ca -0.00 -0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 2jyq h ARG 17 Cb 0.78 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 2jyq h ARG 17 CO 0.05 0.05 -1.60 1.28 -1.51 0.00 0.00 179.97 178.24 2jyq n LEU 18 N -4.49 0.87 -0.05 3.80 4.77 -0.71 -4.48 117.00 116.70 2jyq n LEU 18 Ca -0.03 0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 2jyq n LEU 18 Cb 0.12 0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 2jyq n LEU 18 CO 0.35 0.30 -0.86 0.18 -1.33 0.00 0.00 177.39 176.02 2jyq n LEU 19 N -2.99 1.49 -1.99 2.23 4.77 -0.55 -4.32 117.00 115.63 2jyq n LEU 19 Ca -0.14 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2jyq n LEU 19 Cb 0.98 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.64 2jyq n LEU 19 CO 0.44 0.62 1.54 0.18 -1.33 0.00 0.00 177.39 178.84 2jyq n LEU 20 N -3.13 5.03 -3.96 2.23 7.99 0.13 -4.72 117.00 120.56 2jyq n LEU 20 Ca -0.29 -3.03 -0.30 0.00 -0.01 0.00 0.00 56.01 52.38 2jyq n LEU 20 Cb 1.06 -1.35 -0.16 0.00 -0.11 0.00 0.00 43.42 42.87 2jyq n LEU 20 CO 0.41 1.57 -0.44 0.20 -1.51 0.00 0.00 177.39 177.62 2jyq s ASN 21 N 2.04 3.54 0.00 -1.43 0.01 -1.26 -4.99 114.94 112.84 2jyq s ASN 21 Ca 0.61 -0.99 -0.01 0.00 -0.71 0.00 0.00 52.86 51.76 2jyq s ASN 21 Cb 0.29 -1.19 -0.03 0.00 0.41 0.00 0.00 41.25 40.74 2jyq s ASN 21 CO 0.00 -0.19 1.39 -0.81 -1.51 0.00 0.00 177.10 175.98 2jyq n PRO 22 N 4.69 0.69 0.00 -0.60 -0.04 -1.26 -2.70 135.00 135.79 2jyq n PRO 22 Ca -0.13 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 2jyq n PRO 22 Cb 0.46 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2jyq n PRO 22 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jyq n GLU 23 N 1.88 1.60 -4.17 0.54 1.02 -1.26 -5.06 120.64 115.19 2jyq n GLU 23 Ca 0.04 -1.03 -0.30 0.00 -0.02 0.00 0.00 57.16 55.85 2jyq n GLU 23 Cb 0.34 -0.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.88 2jyq n GLU 23 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jyq s ASN 24 N -0.54 4.76 0.52 1.62 2.20 -1.10 -5.13 114.94 117.27 2jyq s ASN 24 Ca 0.00 -0.26 -0.11 0.00 -0.94 0.00 0.00 52.86 51.55 2jyq s ASN 24 Cb 0.00 -1.05 -0.05 0.00 -2.00 0.00 0.00 41.25 38.15 2jyq s ASN 24 CO 0.00 0.18 0.91 -2.16 -2.94 0.00 0.00 177.10 173.09 2jyq s PRO 25 N -2.26 3.70 0.36 3.55 0.04 -1.26 -4.87 135.00 134.27 2jyq s PRO 25 Ca 0.24 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.61 2jyq s PRO 25 Cb -0.11 -2.22 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 2jyq s PRO 25 CO 0.16 -0.31 1.42 1.03 0.04 0.00 0.00 177.00 179.34 2jyq s ARG 26 N -4.56 4.19 0.00 4.56 0.52 -1.26 -2.57 118.95 119.83 2jyq s ARG 26 Ca 0.53 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 58.18 2jyq s ARG 26 Cb -0.10 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2jyq s ARG 26 CO 0.42 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2jyq n GLY 27 N 0.59 0.66 3.60 -3.53 0.00 -0.75 -4.68 105.19 101.08 2jyq n GLY 27 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2jyq n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyq s THR 28 N -2.23 3.82 0.18 2.61 2.01 -1.06 -2.26 115.64 118.70 2jyq s THR 28 Ca 0.00 0.85 0.07 0.00 0.31 0.00 0.00 61.69 62.92 2jyq s THR 28 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2jyq s THR 28 CO 0.00 -0.63 -0.15 0.72 -0.69 0.00 0.00 174.62 173.87 2jyq s PHE 29 N 5.63 1.62 -0.18 4.92 -0.71 -0.75 0.04 117.98 128.57 2jyq s PHE 29 Ca 0.65 -0.57 -0.11 0.00 -1.04 0.00 0.00 56.93 55.86 2jyq s PHE 29 Cb -0.17 -0.79 0.06 0.00 -1.21 0.00 0.00 43.02 40.91 2jyq s PHE 29 CO 0.32 0.28 0.44 -0.48 -1.34 0.00 0.00 175.22 174.44 2jyq s LEU 30 N -3.01 -0.03 -0.33 -1.99 2.34 -0.54 -0.24 118.68 114.87 2jyq s LEU 30 Ca 0.18 0.93 -0.11 0.00 0.06 0.00 0.00 54.13 55.19 2jyq s LEU 30 Cb -0.02 1.46 -0.00 0.00 -0.56 0.00 0.00 46.19 47.07 2jyq s LEU 30 CO 0.05 -0.18 0.19 0.54 -1.06 0.00 0.00 176.35 175.89 2jyq s VAL 31 N 1.08 4.79 -0.01 1.48 0.11 -0.44 -1.48 120.40 125.94 2jyq s VAL 31 Ca -0.07 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2jyq s VAL 31 Cb -0.07 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.25 2jyq s VAL 31 CO -0.09 -0.03 -0.03 0.00 -3.33 0.00 0.00 175.10 171.62 2jyq s ARG 32 N 1.63 2.70 0.14 1.54 1.70 -0.79 -1.32 118.95 124.55 2jyq s ARG 32 Ca 0.04 -0.64 -0.26 0.00 -0.47 0.00 0.00 55.73 54.40 2jyq s ARG 32 Cb -0.18 -2.61 -0.07 0.00 -0.57 0.00 0.00 34.95 31.52 2jyq s ARG 32 CO 0.08 0.62 0.81 -2.00 -1.08 0.00 0.00 175.30 173.73 2jyq s GLU 33 N -1.45 4.60 0.06 3.89 2.12 0.17 0.13 118.70 128.23 2jyq s GLU 33 Ca 0.18 1.20 -0.21 0.00 0.36 0.00 0.00 54.97 56.50 2jyq s GLU 33 Cb -0.11 -3.30 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 2jyq s GLU 33 CO 0.08 0.46 0.62 0.45 -0.54 0.00 0.00 175.26 176.34 2jyq s SER 34 N -0.79 7.10 0.07 -1.70 0.15 -0.97 -4.46 113.70 113.11 2jyq s SER 34 Ca 0.38 1.31 0.23 0.00 0.70 0.00 0.00 55.95 58.57 2jyq s SER 34 Cb -0.23 -2.39 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2jyq s SER 34 CO 0.27 0.20 1.02 -0.62 1.20 0.00 0.00 173.24 175.30 2jyq n GLU 35 N 2.07 0.36 0.00 5.44 -0.58 -1.26 -4.26 120.64 122.41 2jyq n GLU 35 Ca -0.08 0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2jyq n GLU 35 Cb 0.50 -1.63 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 2jyq n GLU 35 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2jyq n THR 36 N -2.11 0.00 -3.72 2.62 -2.24 -1.26 -4.90 114.28 102.67 2jyq n THR 36 Ca 0.01 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2jyq n THR 36 Cb 0.46 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 2jyq n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jyq s THR 37 N -2.56 -0.03 -0.21 4.28 2.01 -1.26 -5.13 115.64 112.75 2jyq s THR 37 Ca 0.18 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 2jyq s THR 37 Cb 0.18 -0.47 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2jyq s THR 37 CO 0.61 0.04 0.95 -0.54 -0.69 0.00 0.00 174.62 174.99 2jyq s LYS 38 N 1.13 4.27 0.00 4.92 3.01 -1.26 -3.41 119.74 128.40 2jyq s LYS 38 Ca -0.08 1.20 0.00 0.00 -1.01 0.00 0.00 55.97 56.08 2jyq s LYS 38 Cb -0.08 -3.62 0.00 0.00 -1.01 0.00 0.00 37.83 33.12 2jyq s LYS 38 CO -0.09 -0.51 0.00 0.41 0.51 0.00 0.00 175.35 175.67 2jyq n GLY 39 N 3.42 0.49 2.97 -3.33 0.00 -1.26 -4.90 105.19 102.59 2jyq n GLY 39 Ca 0.09 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2jyq n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyq s ALA 40 N -2.12 1.10 0.09 4.61 0.00 -1.22 -1.78 121.76 122.44 2jyq s ALA 40 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.74 2jyq s ALA 40 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2jyq s ALA 40 CO 0.00 0.02 -0.26 0.71 0.00 0.00 0.00 175.76 176.23 2jyq s TYR 41 N 0.85 2.32 -0.63 0.00 1.51 -0.54 -2.28 117.35 118.58 2jyq s TYR 41 Ca -0.12 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.45 2jyq s TYR 41 Cb -0.15 -1.31 0.16 0.00 -0.11 0.00 0.00 41.96 40.55 2jyq s TYR 41 CO 0.02 0.25 0.52 0.00 -1.11 0.00 0.00 175.55 175.23 2jyq s LEU 43 N 0.69 3.46 -0.35 0.00 1.98 -0.54 -1.89 118.68 122.03 2jyq s LEU 43 Ca 0.12 -1.41 -0.23 0.00 -2.89 0.00 0.00 54.13 49.72 2jyq s LEU 43 Cb -0.20 -2.57 0.01 0.00 0.66 0.00 0.00 46.19 44.09 2jyq s LEU 43 CO -0.03 -1.74 0.78 -0.44 -1.89 0.00 0.00 176.35 173.03 2jyq s SER 44 N 5.49 6.57 -0.00 3.68 0.01 -0.55 -1.58 113.70 127.32 2jyq s SER 44 Ca 0.52 0.41 0.08 0.00 1.31 0.00 0.00 55.95 58.26 2jyq s SER 44 Cb -0.01 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 2jyq s SER 44 CO -0.06 -0.71 -0.26 0.54 0.41 0.00 0.00 173.24 173.16 2jyq s VAL 45 N 3.08 2.05 -0.05 3.43 0.11 -0.81 -1.47 120.40 126.73 2jyq s VAL 45 Ca 0.31 -1.17 -0.26 0.00 -2.93 0.00 0.00 61.98 57.93 2jyq s VAL 45 Cb -0.13 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.97 2jyq s VAL 45 CO 0.16 0.51 0.81 -0.55 -3.33 0.00 0.00 175.10 172.70 2jyq s SER 46 N -0.78 7.11 -0.55 3.54 0.15 0.11 -1.52 113.70 121.77 2jyq s SER 46 Ca 0.10 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.16 2jyq s SER 46 Cb -0.10 -2.47 0.33 0.00 -1.71 0.00 0.00 66.02 62.07 2jyq s SER 46 CO -0.00 -0.19 0.89 -0.67 1.20 0.00 0.00 173.24 174.46 2jyq n ASP 47 N 3.96 3.76 -4.61 5.45 2.03 0.20 -1.80 116.55 125.54 2jyq n ASP 47 Ca 0.02 -3.54 -0.43 0.00 0.52 0.00 0.00 54.79 51.36 2jyq n ASP 47 Cb 0.51 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.30 2jyq n ASP 47 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2jyq s PHE 48 N -3.17 1.66 0.02 -0.67 5.36 -1.26 -2.67 117.98 117.24 2jyq s PHE 48 Ca 0.46 0.52 0.06 0.00 -0.96 0.00 0.00 56.93 57.01 2jyq s PHE 48 Cb 0.28 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.87 2jyq s PHE 48 CO -0.12 -3.41 -0.16 0.34 -1.46 0.00 0.00 175.22 170.41 2jyq s ASP 49 N 6.25 3.97 0.12 6.13 2.15 0.58 -4.73 116.67 131.14 2jyq s ASP 49 Ca 0.84 -0.34 0.23 0.00 0.43 0.00 0.00 52.55 53.72 2jyq s ASP 49 Cb -0.27 -0.73 0.92 0.00 -0.30 0.00 0.00 42.92 42.54 2jyq s ASP 49 CO 0.34 0.27 1.72 -3.20 -0.17 0.00 0.00 175.17 174.14 2jyq n ASN 50 N 1.68 0.39 -0.11 -0.34 4.05 -1.26 -0.18 115.26 119.48 2jyq n ASN 50 Ca -0.16 0.56 -0.18 0.00 0.45 0.00 0.00 54.58 55.25 2jyq n ASN 50 Cb 0.52 -0.66 -0.09 0.00 1.23 0.00 0.00 39.78 40.79 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jyq n ALA 51 N -1.65 1.57 0.94 5.20 0.00 -1.26 -4.63 120.51 120.69 2jyq n ALA 51 Ca 0.05 -0.87 0.10 0.00 0.00 0.00 0.00 53.44 52.71 2jyq n ALA 51 Cb 0.30 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 2jyq n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jyq n LYS 52 N -3.47 0.59 0.00 0.00 2.85 -1.23 -5.08 118.16 111.82 2jyq n LYS 52 Ca -0.39 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 56.68 2jyq n LYS 52 Cb 0.85 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 2jyq n LYS 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jyq n GLY 53 N 1.45 -0.08 3.62 2.58 0.00 0.75 -4.82 105.19 108.69 2jyq n GLY 53 Ca 0.05 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2jyq n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyq s LEU 54 N 0.00 3.87 -0.17 0.99 1.43 -1.26 -0.31 118.68 123.23 2jyq s LEU 54 Ca 0.00 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2jyq s LEU 54 Cb 0.00 -3.49 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 2jyq s LEU 54 CO 0.00 -0.96 -0.12 0.20 0.23 0.00 0.00 176.35 175.69 2jyq s ASN 55 N 1.88 3.84 -0.28 2.29 0.01 -1.09 -4.96 114.94 116.63 2jyq s ASN 55 Ca 0.45 -0.44 -0.04 0.00 -0.71 0.00 0.00 52.86 52.11 2jyq s ASN 55 Cb -0.11 -1.61 0.02 0.00 0.41 0.00 0.00 41.25 39.96 2jyq s ASN 55 CO 0.20 0.06 0.02 -0.69 -1.51 0.00 0.00 177.10 175.17 2jyq s VAL 56 N 0.98 3.45 -0.48 1.60 1.01 -1.26 0.59 120.40 126.29 2jyq s VAL 56 Ca -0.02 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 2jyq s VAL 56 Cb -0.15 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.51 2jyq s VAL 56 CO -0.02 0.12 0.48 -0.54 0.00 0.00 0.00 175.10 175.14 2jyq s LYS 57 N 1.41 3.03 -1.18 2.72 1.02 -0.57 -4.93 119.74 121.25 2jyq s LYS 57 Ca 0.01 -1.16 -0.19 0.00 0.02 0.00 0.00 55.97 54.65 2jyq s LYS 57 Cb -0.17 -4.11 0.08 0.00 -0.52 0.00 0.00 37.83 33.11 2jyq s LYS 57 CO -0.01 -1.08 1.58 -1.01 -0.92 0.00 0.00 175.35 173.90 2jyq s HIS 58 N 2.02 2.80 0.08 3.18 3.76 -1.26 -1.93 115.29 123.93 2jyq s HIS 58 Ca 0.08 -1.41 -0.31 0.00 -0.15 0.00 0.00 55.06 53.27 2jyq s HIS 58 Cb -0.22 -4.66 -0.08 0.00 1.11 0.00 0.00 32.58 28.73 2jyq s HIS 58 CO 0.09 -1.79 1.51 0.71 -0.85 0.00 0.00 174.74 174.41 2jyq s TYR 59 N 4.10 2.84 -0.83 1.40 2.02 -0.62 -4.84 117.35 121.43 2jyq s TYR 59 Ca 0.49 0.66 -0.24 0.00 -0.37 0.00 0.00 57.07 57.60 2jyq s TYR 59 Cb 0.01 -3.81 0.05 0.00 -0.40 0.00 0.00 41.96 37.82 2jyq s TYR 59 CO 0.00 -3.05 1.27 0.15 -1.57 0.00 0.00 175.55 172.35 2jyq s LYS 60 N 1.96 3.33 -0.74 -0.62 -0.14 -1.26 -1.47 119.74 120.80 2jyq s LYS 60 Ca 0.68 -0.73 -0.26 0.00 -1.36 0.00 0.00 55.97 54.30 2jyq s LYS 60 Cb -0.37 -4.61 0.00 0.00 -1.68 0.00 0.00 37.83 31.17 2jyq s LYS 60 CO 0.30 -2.09 1.60 0.42 -0.76 0.00 0.00 175.35 174.82 2jyq s ILE 61 N 4.99 3.57 0.00 2.17 1.01 0.11 -4.73 121.20 128.32 2jyq s ILE 61 Ca 0.36 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.95 2jyq s ILE 61 Cb -0.07 -4.46 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 2jyq s ILE 61 CO 0.05 -1.40 0.49 -0.60 0.00 0.00 0.00 174.94 173.47 2jyq s ARG 62 N 6.30 4.12 0.24 2.79 3.52 -0.82 -1.47 118.95 133.62 2jyq s ARG 62 Ca 0.53 0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 56.60 2jyq s ARG 62 Cb -0.09 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 2jyq s ARG 62 CO 0.12 0.55 0.53 -1.59 -0.81 0.00 0.00 175.30 174.11 2jyq s LYS 63 N -0.71 3.72 0.47 5.12 -2.85 -0.73 -0.86 119.74 123.89 2jyq s LYS 63 Ca 0.26 0.14 -0.09 0.00 -1.00 0.00 0.00 55.97 55.29 2jyq s LYS 63 Cb -0.17 -2.67 -0.05 0.00 -2.06 0.00 0.00 37.83 32.88 2jyq s LYS 63 CO 0.15 0.30 0.82 -0.51 0.10 0.00 0.00 175.35 176.21 2jyq s LEU 64 N -3.05 3.66 0.25 2.77 1.43 0.14 -4.86 118.68 119.02 2jyq s LEU 64 Ca 0.45 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.64 2jyq s LEU 64 Cb -0.11 -4.05 0.48 0.00 0.03 0.00 0.00 46.19 42.54 2jyq s LEU 64 CO 0.25 -0.54 1.73 -0.78 0.23 0.00 0.00 176.35 177.23 2jyq h ASP 65 N 0.62 0.31 0.49 2.29 3.58 -1.99 0.70 116.42 122.42 2jyq h ASP 65 Ca -0.47 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.04 2jyq h ASP 65 Cb 1.19 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2jyq h ASP 65 CO 0.63 0.11 -0.26 0.28 -2.88 0.00 0.00 179.24 177.12 2jyq h SER 66 N 0.46 0.00 0.00 2.28 0.02 -2.05 -3.46 113.55 110.80 2jyq h SER 66 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2jyq h SER 66 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2jyq h SER 66 CO -0.41 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.15 2jyq n GLY 67 N -0.39 0.85 3.15 -3.77 0.00 0.23 -5.12 105.19 100.13 2jyq n GLY 67 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2jyq n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jyq s GLY 68 N -1.23 1.77 -0.05 -0.02 0.00 -1.21 -4.26 107.32 102.33 2jyq s GLY 68 Ca 0.00 -1.86 -0.25 0.00 0.00 0.00 0.00 44.72 42.61 2jyq s GLY 68 CO 0.00 0.72 0.77 -1.36 0.00 0.00 0.00 173.10 173.23 2jyq s PHE 69 N 1.20 3.60 -0.03 1.90 0.08 0.17 0.29 117.98 125.20 2jyq s PHE 69 Ca -0.04 1.36 -0.04 0.00 0.12 0.00 0.00 56.93 58.33 2jyq s PHE 69 Cb -0.20 -2.88 0.01 0.00 -0.57 0.00 0.00 43.02 39.38 2jyq s PHE 69 CO -0.02 0.07 0.10 1.52 -0.10 0.00 0.00 175.22 176.79 2jyq s TYR 70 N 0.82 -0.05 -0.15 0.36 -0.85 -0.04 -0.49 117.35 116.96 2jyq s TYR 70 Ca 0.41 0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 57.04 2jyq s TYR 70 Cb -0.19 -0.00 -0.24 0.00 0.38 0.00 0.00 41.96 41.91 2jyq s TYR 70 CO 0.21 -0.12 0.25 -0.89 -1.52 0.00 0.00 175.55 173.48 2jyq n ILE 71 N 2.52 1.71 -4.41 -3.49 5.41 -1.26 -1.95 119.36 117.90 2jyq n ILE 71 Ca -0.16 -0.65 -0.30 0.00 1.00 0.00 0.00 62.75 62.64 2jyq n ILE 71 Cb 0.58 -1.62 -0.11 0.00 -0.71 0.00 0.00 39.64 37.77 2jyq n ILE 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2jyq s THR 72 N -2.55 3.05 -1.28 1.39 -1.32 -1.26 -4.93 115.64 108.74 2jyq s THR 72 Ca -0.24 -1.27 0.12 0.00 -1.21 0.00 0.00 61.69 59.09 2jyq s THR 72 Cb 0.07 -2.37 0.17 0.00 -1.51 0.00 0.00 72.50 68.86 2jyq s THR 72 CO 0.74 0.21 1.31 -1.54 -2.21 0.00 0.00 174.62 173.13 2jyq n SER 73 N 1.08 0.00 -0.06 8.08 3.41 -1.26 -2.82 113.62 122.05 2jyq n SER 73 Ca -0.15 0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2jyq n SER 73 Cb 0.52 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 2jyq n SER 73 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jyq h ARG 74 N 0.00 0.00 -4.33 4.33 3.08 -2.00 -3.45 114.38 112.01 2jyq h ARG 74 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 2jyq h ARG 74 Cb 0.14 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.95 2jyq h ARG 74 CO 0.00 0.24 -0.36 0.99 -1.07 0.00 0.00 179.97 179.77 2jyq s THR 75 N -1.92 4.98 -0.10 2.04 2.01 -1.13 -5.05 115.64 116.48 2jyq s THR 75 Ca -0.10 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.74 2jyq s THR 75 Cb 0.01 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2jyq s THR 75 CO 0.22 -0.58 -0.13 0.00 -0.69 0.00 0.00 174.62 173.44 2jyq s GLN 76 N 1.58 3.05 0.06 4.92 -2.07 -1.26 -4.27 119.66 121.68 2jyq s GLN 76 Ca 0.04 -0.68 0.08 0.00 -1.82 0.00 0.00 55.36 52.97 2jyq s GLN 76 Cb -0.24 -2.54 -0.03 0.00 -1.09 0.00 0.00 33.01 29.11 2jyq s GLN 76 CO 0.05 0.37 -0.21 -0.06 -1.32 0.00 0.00 175.29 174.13 2jyq s PHE 77 N -0.07 1.84 -2.07 9.60 0.08 0.36 -4.88 117.98 122.82 2jyq s PHE 77 Ca -0.02 -0.39 0.28 0.00 0.12 0.00 0.00 56.93 56.92 2jyq s PHE 77 Cb -0.14 -1.06 1.07 0.00 -0.57 0.00 0.00 43.02 42.31 2jyq s PHE 77 CO 0.04 0.14 1.75 0.45 -0.10 0.00 0.00 175.22 177.50 2jyq n SER 78 N 1.58 1.04 -3.80 1.36 2.88 -1.26 0.46 113.62 115.87 2jyq n SER 78 Ca -0.18 -1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 56.13 2jyq n SER 78 Cb 0.53 0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.89 2jyq n SER 78 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jyq s SER 79 N -2.24 -0.15 0.54 -3.46 0.01 -1.26 -4.85 113.70 102.29 2jyq s SER 79 Ca 0.33 0.30 0.30 0.00 1.31 0.00 0.00 55.95 58.20 2jyq s SER 79 Cb 0.20 0.28 1.53 0.00 0.21 0.00 0.00 66.02 68.24 2jyq s SER 79 CO 0.42 -0.08 2.08 -0.07 0.41 0.00 0.00 173.24 176.01 2jyq h LEU 80 N 6.27 0.00 -0.36 2.44 3.38 -1.96 -1.91 115.31 123.16 2jyq h LEU 80 Ca -0.30 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.72 2jyq h LEU 80 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2jyq h LEU 80 CO 0.42 0.09 0.11 -0.61 0.09 0.00 0.00 178.44 178.54 2jyq h GLN 81 N 0.00 0.25 0.00 1.13 5.75 -1.99 -1.82 115.11 118.44 2jyq h GLN 81 Ca -0.00 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 2jyq h GLN 81 Cb 0.34 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2jyq h GLN 81 CO 0.01 0.17 -0.48 1.96 -2.65 0.00 0.00 178.83 177.84 2jyq h GLN 82 N 0.26 0.00 0.49 1.69 1.08 -1.79 -2.71 115.11 114.13 2jyq h GLN 82 Ca 0.17 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2jyq h GLN 82 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2jyq h GLN 82 CO -0.18 0.48 -0.26 1.25 -0.95 0.00 0.00 178.83 179.17 2jyq h LEU 83 N 0.00 -0.63 -0.42 1.46 7.12 -0.94 -2.46 115.31 119.43 2jyq h LEU 83 Ca -0.00 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 2jyq h LEU 83 Cb 1.04 0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.32 2jyq h LEU 83 CO 0.06 -0.42 0.12 -0.37 -0.13 0.00 0.00 178.44 177.70 2jyq h VAL 84 N -0.69 1.22 -0.87 1.05 -1.51 -1.42 -1.89 116.25 112.14 2jyq h VAL 84 Ca -0.07 -0.75 0.16 0.00 -1.23 0.00 0.00 66.70 64.81 2jyq h VAL 84 Cb 0.54 0.92 -0.10 0.00 -2.13 0.00 0.00 31.29 30.52 2jyq h VAL 84 CO 0.09 0.27 0.45 0.00 -1.23 0.00 0.00 177.57 177.15 2jyq h ALA 85 N 0.97 1.33 0.10 5.19 0.00 -1.54 0.32 119.26 125.63 2jyq h ALA 85 Ca 0.13 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 2jyq h ALA 85 Cb 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jyq h ALA 85 CO -0.00 -0.10 -0.90 -0.92 0.00 0.00 0.00 179.25 177.33 2jyq h TYR 86 N 0.62 0.71 0.00 0.00 3.20 -1.24 -3.26 116.97 117.00 2jyq h TYR 86 Ca 0.48 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2jyq h TYR 86 Cb 0.71 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2jyq h TYR 86 CO -0.09 1.32 0.00 0.66 -1.64 0.00 0.00 178.16 178.41 2jyq n TYR 87 N -4.05 0.41 0.23 -3.82 4.02 -0.73 -0.37 117.16 112.85 2jyq n TYR 87 Ca -0.13 0.16 0.12 0.00 -0.01 0.00 0.00 57.90 58.04 2jyq n TYR 87 Cb 0.83 -0.76 0.47 0.00 -0.02 0.00 0.00 39.34 39.86 2jyq n TYR 87 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2jyq h SER 88 N 0.00 0.00 0.00 7.72 0.02 -0.99 -1.45 113.55 118.85 2jyq h SER 88 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2jyq h SER 88 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 2jyq h SER 88 CO 0.00 0.15 -2.17 0.29 -1.14 0.00 0.00 176.83 173.96 2jyq n LYS 89 N -3.26 0.48 -3.97 3.45 5.02 0.08 -4.37 118.16 115.59 2jyq n LYS 89 Ca 0.01 0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 2jyq n LYS 89 Cb 0.42 -1.34 -0.16 0.00 -0.02 0.00 0.00 35.03 33.93 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2jyq s HIS 90 N -2.40 2.23 0.06 2.13 3.76 0.50 -4.98 115.29 116.59 2jyq s HIS 90 Ca -0.28 -1.46 -0.15 0.00 -0.15 0.00 0.00 55.06 53.01 2jyq s HIS 90 Cb 0.09 -1.56 -0.25 0.00 1.11 0.00 0.00 32.58 31.97 2jyq s HIS 90 CO 0.42 -0.71 1.15 0.00 -0.85 0.00 0.00 174.74 174.75 2jyq h ALA 91 N 8.01 0.08 -0.46 -1.40 0.00 -1.83 -3.29 119.26 120.37 2jyq h ALA 91 Ca -0.27 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2jyq h ALA 91 Cb 1.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jyq h ALA 91 CO 0.46 0.63 0.00 -3.47 0.00 0.00 0.00 179.25 176.87 2jyq n ASP 92 N -3.90 0.00 0.07 0.00 -0.08 -1.26 -2.85 116.55 108.53 2jyq n ASP 92 Ca -0.12 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.93 2jyq n ASP 92 Cb 0.88 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 44.19 2jyq n ASP 92 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2jyq h GLY 93 N 0.00 0.45 -2.08 0.27 0.00 -1.92 -3.46 103.07 96.33 2jyq h GLY 93 Ca 0.00 -1.16 -0.52 0.00 0.00 0.00 0.00 47.33 45.66 2jyq h GLY 93 CO 0.00 1.01 0.45 1.08 0.00 0.00 0.00 176.54 179.08 2jyq s LEU 94 N -7.36 3.70 0.42 3.11 1.02 -1.13 -4.92 118.68 113.52 2jyq s LEU 94 Ca -0.16 2.28 0.29 0.00 0.02 0.00 0.00 54.13 56.56 2jyq s LEU 94 Cb 0.05 -4.59 1.05 0.00 0.02 0.00 0.00 46.19 42.72 2jyq s LEU 94 CO 0.85 -1.43 1.83 0.00 0.02 0.00 0.00 176.35 177.63 2jyq s HIS 96 N -3.44 -0.39 0.68 0.00 5.65 -1.26 -5.09 115.29 111.43 2jyq s HIS 96 Ca 0.04 0.95 -0.12 0.00 0.25 0.00 0.00 55.06 56.17 2jyq s HIS 96 Cb 0.09 0.13 0.00 0.00 -1.18 0.00 0.00 32.58 31.62 2jyq s HIS 96 CO 0.53 -0.19 1.07 -0.98 -0.65 0.00 0.00 174.74 174.52 2jyq s ARG 97 N 0.22 2.92 -0.54 2.88 1.70 -1.26 -4.86 118.95 120.01 2jyq s ARG 97 Ca -0.00 1.09 -0.27 0.00 -0.47 0.00 0.00 55.73 56.08 2jyq s ARG 97 Cb -0.03 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.33 2jyq s ARG 97 CO 0.00 -1.12 2.03 -0.51 -1.08 0.00 0.00 175.30 174.62 2jyq s LEU 98 N -5.27 3.35 -0.23 -1.89 1.43 -0.54 -4.56 118.68 110.97 2jyq s LEU 98 Ca 0.61 0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 2jyq s LEU 98 Cb -0.15 -2.65 -0.18 0.00 0.03 0.00 0.00 46.19 43.23 2jyq s LEU 98 CO 0.49 -2.45 -0.11 0.41 0.23 0.00 0.00 176.35 174.93 2jyq n THR 99 N 7.48 1.56 -3.78 5.49 -1.04 -1.03 -4.26 114.28 118.69 2jyq n THR 99 Ca 0.26 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.05 61.58 2jyq n THR 99 Cb 0.52 -1.56 -0.15 0.00 -1.82 0.00 0.00 70.33 67.32 2jyq n THR 99 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2jyq s ASN 100 N -6.75 -0.03 0.21 8.00 2.47 -0.96 -5.01 114.94 112.87 2jyq s ASN 100 Ca -0.33 0.15 -0.29 0.00 0.42 0.00 0.00 52.86 52.82 2jyq s ASN 100 Cb 0.09 0.07 -0.08 0.00 -1.45 0.00 0.00 41.25 39.88 2jyq s ASN 100 CO 0.62 -0.11 0.90 -0.69 -3.72 0.00 0.00 177.10 174.10 2jyq s VAL 101 N 0.83 4.19 -0.15 -5.21 1.01 -1.26 -1.80 120.40 118.00 2jyq s VAL 101 Ca -0.07 1.99 -0.35 0.00 0.00 0.00 0.00 61.98 63.55 2jyq s VAL 101 Cb -0.09 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 2jyq s VAL 101 CO -0.03 0.49 1.90 0.00 0.00 0.00 0.00 175.10 177.46 2jyq s PRO 103 N 4.29 3.52 0.38 0.00 0.04 -1.26 -4.99 135.00 136.97 2jyq s PRO 103 Ca 0.96 1.34 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 2jyq s PRO 103 Cb -0.76 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 2jyq s PRO 103 CO 0.53 -0.67 1.09 -0.08 0.04 0.00 0.00 177.00 177.92 2jyq s THR 104 N -2.14 3.51 -0.07 1.26 -1.32 -1.26 -5.04 115.64 110.58 2jyq s THR 104 Ca 0.67 1.24 -0.03 0.00 -1.21 0.00 0.00 61.69 62.36 2jyq s THR 104 Cb -0.17 -3.68 0.04 0.00 -1.51 0.00 0.00 72.50 67.18 2jyq s THR 104 CO 0.28 0.09 0.13 -0.55 -2.21 0.00 0.00 174.62 172.36 2jyq s SER 105 N -1.33 0.75 0.00 8.08 0.15 -1.26 -5.23 113.70 114.86 2jyq s SER 105 Ca 0.56 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2jyq s SER 105 Cb -0.26 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 2jyq s SER 105 CO 0.33 -0.24 0.03 1.17 1.20 0.00 0.00 173.24 175.74