#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyq n ALA 2 N 0.00 -1.64 -1.74 2.61 0.00 -1.26 -5.13 120.51 113.36 2jyq n ALA 2 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 2jyq n ALA 2 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 2jyq n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jyq n GLU 3 N -0.44 2.63 0.24 0.00 -0.58 -1.26 -4.86 120.64 116.37 2jyq n GLU 3 Ca -0.01 0.94 0.13 0.00 -0.42 0.00 0.00 57.16 57.80 2jyq n GLU 3 Cb 0.34 -2.71 0.78 0.00 -0.57 0.00 0.00 31.44 29.28 2jyq n GLU 3 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jyq h GLU 4 N 4.81 0.00 0.00 3.49 5.08 -2.01 -2.89 114.58 123.06 2jyq h GLU 4 Ca -0.47 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.61 2jyq h GLU 4 Cb 1.23 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2jyq h GLU 4 CO 0.80 0.00 -2.06 -2.67 -1.00 0.00 0.00 179.01 174.07 2jyq n TRP 5 N -4.14 0.00 -3.05 4.33 4.27 -1.26 -4.81 117.44 112.77 2jyq n TRP 5 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 2jyq n TRP 5 Cb 0.19 -0.75 -0.06 0.00 -1.36 0.00 0.00 31.31 29.32 2jyq n TRP 5 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2jyq s TYR 6 N -2.37 3.06 -0.29 -2.67 5.04 -1.09 -1.24 117.35 117.78 2jyq s TYR 6 Ca -0.12 0.12 0.11 0.00 -2.44 0.00 0.00 57.07 54.74 2jyq s TYR 6 Cb 0.05 -3.42 0.62 0.00 0.35 0.00 0.00 41.96 39.55 2jyq s TYR 6 CO 0.59 -0.86 1.63 1.19 -1.34 0.00 0.00 175.55 176.75 2jyq n PHE 7 N 6.39 1.76 -4.37 4.97 3.72 -0.80 -4.24 117.46 124.88 2jyq n PHE 7 Ca 0.00 -1.32 0.00 0.00 -0.05 0.00 0.00 57.45 56.08 2jyq n PHE 7 Cb 0.48 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2jyq n PHE 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jyq n GLY 8 N -0.65 0.10 2.81 1.37 0.00 -1.26 -3.90 105.19 103.66 2jyq n GLY 8 Ca 0.36 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2jyq n GLY 8 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jyq n LYS 9 N 0.00 3.64 -2.47 1.61 2.85 -1.26 -0.29 118.16 122.24 2jyq n LYS 9 Ca 0.00 -4.59 -0.35 0.00 -1.05 0.00 0.00 58.31 52.32 2jyq n LYS 9 Cb 0.00 -2.42 -0.03 0.00 -0.65 0.00 0.00 35.03 31.94 2jyq n LYS 9 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2jyq s ILE 10 N -2.55 3.61 0.79 0.58 -4.36 -1.25 -4.81 121.20 113.22 2jyq s ILE 10 Ca 0.34 1.05 -0.12 0.00 -0.26 0.00 0.00 60.65 61.66 2jyq s ILE 10 Cb 0.07 -3.45 0.07 0.00 1.25 0.00 0.00 42.46 40.40 2jyq s ILE 10 CO 0.04 -0.18 1.13 0.42 0.24 0.00 0.00 174.94 176.59 2jyq s THR 11 N -1.87 2.70 0.20 8.37 -4.23 -1.26 -4.80 115.64 114.75 2jyq s THR 11 Ca 0.67 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.29 2jyq s THR 11 Cb -0.19 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.64 2jyq s THR 11 CO 0.23 -0.30 1.83 -0.09 -0.54 0.00 0.00 174.62 175.75 2jyq h ARG 12 N -1.03 0.73 -0.66 3.99 2.43 -1.98 -0.86 114.38 117.00 2jyq h ARG 12 Ca -0.47 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 58.76 2jyq h ARG 12 Cb 1.29 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.60 2jyq h ARG 12 CO 0.63 0.48 0.26 0.00 -1.51 0.00 0.00 179.97 179.83 2jyq h ARG 13 N 0.75 0.44 0.03 0.20 2.47 -1.98 0.18 114.38 116.46 2jyq h ARG 13 Ca 0.25 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2jyq h ARG 13 Cb 0.04 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2jyq h ARG 13 CO -0.11 0.29 -0.01 0.93 0.56 0.00 0.00 179.97 181.63 2jyq h GLU 14 N 0.45 -0.03 0.15 0.04 5.08 -1.78 -1.83 114.58 116.66 2jyq h GLU 14 Ca 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2jyq h GLU 14 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jyq h GLU 14 CO -0.32 0.27 -0.07 1.03 -1.00 0.00 0.00 179.01 178.92 2jyq h SER 15 N -0.34 -0.17 1.72 1.42 0.87 -0.51 -2.85 113.55 113.69 2jyq h SER 15 Ca -0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2jyq h SER 15 Cb 0.32 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2jyq h SER 15 CO 0.01 -0.09 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.88 2jyq h GLU 16 N -0.23 0.00 -0.55 2.24 5.08 -0.76 -1.74 114.58 118.62 2jyq h GLU 16 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2jyq h GLU 16 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2jyq h GLU 16 CO 0.03 0.00 0.26 -0.09 -1.00 0.00 0.00 179.01 178.22 2jyq h ARG 17 N 0.00 0.77 0.14 2.33 2.43 -1.09 0.13 114.38 119.08 2jyq h ARG 17 Ca -0.00 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 58.86 2jyq h ARG 17 Cb 0.86 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2jyq h ARG 17 CO 0.00 0.60 -1.03 -0.07 -1.51 0.00 0.00 179.97 177.96 2jyq h LEU 18 N 0.77 0.46 -0.81 3.80 3.38 -1.37 -3.38 115.31 118.16 2jyq h LEU 18 Ca 0.19 -0.92 -0.11 0.00 0.09 0.00 0.00 57.88 57.13 2jyq h LEU 18 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jyq h LEU 18 CO -0.03 1.48 -0.54 -0.07 0.09 0.00 0.00 178.44 179.37 2jyq h LEU 19 N -0.33 0.00 -1.34 1.67 3.38 -1.14 -2.70 115.31 114.85 2jyq h LEU 19 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jyq h LEU 19 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2jyq h LEU 19 CO 0.13 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.38 2jyq n LEU 20 N -3.72 1.65 -4.59 1.67 7.99 0.42 -4.73 117.00 115.70 2jyq n LEU 20 Ca -0.01 -0.83 -0.38 0.00 -0.01 0.00 0.00 56.01 54.78 2jyq n LEU 20 Cb 0.58 -0.51 -0.11 0.00 -0.11 0.00 0.00 43.42 43.27 2jyq n LEU 20 CO 0.40 0.30 -0.14 0.21 -1.51 0.00 0.00 177.39 176.65 2jyq s ASN 21 N -0.14 6.04 0.00 -1.43 3.84 -1.02 -4.97 114.94 117.26 2jyq s ASN 21 Ca 0.08 -0.01 0.07 0.00 0.21 0.00 0.00 52.86 53.21 2jyq s ASN 21 Cb 0.06 -2.13 0.41 0.00 -0.55 0.00 0.00 41.25 39.04 2jyq s ASN 21 CO 0.02 -0.08 0.83 -2.65 -2.79 0.00 0.00 177.10 172.44 2jyq n PRO 22 N 5.09 0.25 0.16 0.43 -0.02 -1.26 -1.56 135.00 138.09 2jyq n PRO 22 Ca -0.13 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.48 2jyq n PRO 22 Cb 0.52 -1.43 0.39 0.00 -0.02 0.00 0.00 33.50 32.96 2jyq n PRO 22 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2jyq h GLU 23 N 0.00 0.00 -5.39 -0.52 4.11 -1.94 -3.43 114.58 107.42 2jyq h GLU 23 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.82 2jyq h GLU 23 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 2jyq h GLU 23 CO 0.00 0.00 -0.20 -0.80 0.07 0.00 0.00 179.01 178.08 2jyq s ASN 24 N -5.10 6.41 0.81 3.06 0.01 -0.60 -5.08 114.94 114.46 2jyq s ASN 24 Ca 0.07 0.49 -0.12 0.00 -0.71 0.00 0.00 52.86 52.60 2jyq s ASN 24 Cb 0.09 -2.23 0.09 0.00 0.41 0.00 0.00 41.25 39.62 2jyq s ASN 24 CO 0.57 -0.10 1.17 -2.16 -1.51 0.00 0.00 177.10 175.07 2jyq s PRO 25 N 1.45 1.82 -0.25 -0.60 0.04 -1.26 -4.86 135.00 131.34 2jyq s PRO 25 Ca 0.19 -0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 2jyq s PRO 25 Cb -0.15 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2jyq s PRO 25 CO 0.08 -1.65 2.23 -2.13 0.04 0.00 0.00 177.00 175.57 2jyq n ARG 26 N -3.31 1.82 0.00 4.56 0.63 -1.26 -1.98 116.66 117.12 2jyq n ARG 26 Ca 0.09 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 2jyq n ARG 26 Cb 0.61 -3.16 0.00 0.00 0.45 0.00 0.00 32.46 30.36 2jyq n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jyq n GLY 27 N 5.88 0.35 3.61 5.14 0.00 -1.06 -4.88 105.19 114.23 2jyq n GLY 27 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.16 3.91 0.28 2.61 2.01 -0.84 -1.48 115.64 120.98 2jyq s THR 28 Ca 0.00 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.00 2jyq s THR 28 Cb 0.00 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 2jyq s THR 28 CO 0.00 -0.66 -0.02 0.72 -0.69 0.00 0.00 174.62 173.97 2jyq s PHE 29 N 5.32 1.89 -0.17 4.92 -0.71 0.18 0.36 117.98 129.77 2jyq s PHE 29 Ca 0.62 -0.81 -0.28 0.00 -1.04 0.00 0.00 56.93 55.42 2jyq s PHE 29 Cb -0.15 -1.13 0.09 0.00 -1.21 0.00 0.00 43.02 40.61 2jyq s PHE 29 CO 0.31 0.15 0.79 -0.48 -1.34 0.00 0.00 175.22 174.64 2jyq s LEU 30 N -3.43 -0.62 -0.21 -1.99 2.34 -0.92 -0.63 118.68 113.21 2jyq s LEU 30 Ca 0.31 0.94 -0.06 0.00 0.06 0.00 0.00 54.13 55.39 2jyq s LEU 30 Cb 0.06 2.33 -0.03 0.00 -0.56 0.00 0.00 46.19 47.99 2jyq s LEU 30 CO 0.12 -0.39 0.02 0.54 -1.06 0.00 0.00 176.35 175.58 2jyq s VAL 31 N -0.46 4.05 -0.02 1.48 0.11 -0.37 -0.90 120.40 124.30 2jyq s VAL 31 Ca -0.04 -0.27 0.05 0.00 -2.93 0.00 0.00 61.98 58.78 2jyq s VAL 31 Cb -0.02 -2.85 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 2jyq s VAL 31 CO 0.04 0.41 -0.17 0.00 -3.33 0.00 0.00 175.10 172.05 2jyq s ARG 32 N 1.11 1.49 0.37 1.54 1.70 -1.01 -1.91 118.95 122.24 2jyq s ARG 32 Ca 0.03 -0.59 -0.27 0.00 -0.47 0.00 0.00 55.73 54.43 2jyq s ARG 32 Cb -0.14 -1.38 -0.09 0.00 -0.57 0.00 0.00 34.95 32.76 2jyq s ARG 32 CO 0.02 0.31 1.30 -2.00 -1.08 0.00 0.00 175.30 173.84 2jyq s GLU 33 N -0.21 4.15 0.04 3.89 2.56 0.60 0.54 118.70 130.27 2jyq s GLU 33 Ca 0.02 2.16 -0.30 0.00 0.00 0.00 0.00 54.97 56.85 2jyq s GLU 33 Cb -0.08 -2.89 -0.06 0.00 2.00 0.00 0.00 34.13 33.09 2jyq s GLU 33 CO 0.00 -0.34 1.32 -1.12 -0.56 0.00 0.00 175.26 174.56 2jyq s SER 34 N -0.65 6.93 0.57 -1.70 0.01 -1.13 -4.32 113.70 113.42 2jyq s SER 34 Ca 0.53 2.11 0.26 0.00 1.31 0.00 0.00 55.95 60.16 2jyq s SER 34 Cb -0.38 -2.57 1.61 0.00 0.21 0.00 0.00 66.02 64.88 2jyq s SER 34 CO 0.50 -0.62 2.16 1.05 0.41 0.00 0.00 173.24 176.74 2jyq h GLU 35 N 7.26 0.00 -0.05 12.44 9.09 -1.87 -1.57 114.58 139.88 2jyq h GLU 35 Ca -0.39 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.00 2jyq h GLU 35 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 2jyq h GLU 35 CO 0.87 0.00 -0.18 0.25 0.05 0.00 0.00 179.01 180.00 2jyq n THR 36 N -4.03 2.09 -3.83 -1.06 -2.24 -1.26 -4.99 114.28 98.95 2jyq n THR 36 Ca -0.00 -2.61 -0.13 0.00 -2.27 0.00 0.00 64.05 59.04 2jyq n THR 36 Cb 0.21 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 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 -3.03 -0.02 -0.66 4.28 2.01 -0.59 -5.11 115.64 112.53 2jyq s THR 37 Ca 0.36 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.29 2jyq s THR 37 Cb 0.33 -0.08 0.17 0.00 0.01 0.00 0.00 72.50 72.93 2jyq s THR 37 CO -0.00 0.02 0.58 -0.54 -0.69 0.00 0.00 174.62 173.99 2jyq s LYS 38 N 0.33 3.11 0.00 4.92 1.02 -1.26 -4.24 119.74 123.61 2jyq s LYS 38 Ca -0.03 -2.13 0.00 0.00 0.02 0.00 0.00 55.97 53.83 2jyq s LYS 38 Cb -0.04 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 2jyq s LYS 38 CO -0.01 -1.27 0.00 0.41 -0.92 0.00 0.00 175.35 173.56 2jyq n GLY 39 N 4.45 0.52 3.13 -3.33 0.00 -1.26 -5.09 105.19 103.60 2jyq n GLY 39 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.59 -2.27 0.05 4.61 0.00 -1.26 -4.50 121.76 116.80 2jyq s ALA 40 Ca 0.00 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 2jyq s ALA 40 Cb 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 2jyq s ALA 40 CO 0.00 -1.85 0.54 0.71 0.00 0.00 0.00 175.76 175.16 2jyq s TYR 41 N 2.73 3.78 -0.63 0.00 2.02 -0.95 -2.82 117.35 121.48 2jyq s TYR 41 Ca 0.10 1.22 -0.18 0.00 -0.37 0.00 0.00 57.07 57.84 2jyq s TYR 41 Cb -0.10 -2.47 0.12 0.00 -0.40 0.00 0.00 41.96 39.11 2jyq s TYR 41 CO -0.25 0.57 0.70 0.00 -1.57 0.00 0.00 175.55 175.00 2jyq s LEU 43 N 2.23 3.27 -0.68 0.00 1.98 0.10 -2.41 118.68 123.17 2jyq s LEU 43 Ca 0.12 -0.65 -0.22 0.00 -2.89 0.00 0.00 54.13 50.49 2jyq s LEU 43 Cb -0.23 -2.56 0.08 0.00 0.66 0.00 0.00 46.19 44.14 2jyq s LEU 43 CO 0.03 -2.27 0.97 -0.44 -1.89 0.00 0.00 176.35 172.75 2jyq s SER 44 N 6.84 6.22 -0.23 3.68 0.01 -0.07 -1.44 113.70 128.70 2jyq s SER 44 Ca 0.60 -1.11 -0.09 0.00 1.31 0.00 0.00 55.95 56.66 2jyq s SER 44 Cb -0.06 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2jyq s SER 44 CO 0.03 -1.40 0.12 0.54 0.41 0.00 0.00 173.24 172.94 2jyq s VAL 45 N 3.89 5.04 -0.02 3.43 0.11 -0.90 -2.17 120.40 129.77 2jyq s VAL 45 Ca 0.23 0.07 -0.27 0.00 -2.93 0.00 0.00 61.98 59.07 2jyq s VAL 45 Cb -0.16 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 2jyq s VAL 45 CO 0.08 0.37 0.87 -0.55 -3.33 0.00 0.00 175.10 172.55 2jyq s SER 46 N 0.98 7.23 -0.15 3.54 0.15 0.16 -0.36 113.70 125.25 2jyq s SER 46 Ca 0.06 1.49 -0.01 0.00 0.70 0.00 0.00 55.95 58.19 2jyq s SER 46 Cb -0.14 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 2jyq s SER 46 CO 0.03 -0.19 -0.11 -0.62 1.20 0.00 0.00 173.24 173.55 2jyq s ASP 47 N 0.87 4.02 -0.65 5.45 2.15 0.34 -2.56 116.67 126.29 2jyq s ASP 47 Ca 0.46 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 52.91 2jyq s ASP 47 Cb -0.20 -1.63 0.13 0.00 -0.30 0.00 0.00 42.92 40.92 2jyq s ASP 47 CO 0.24 0.11 0.69 0.12 -0.17 0.00 0.00 175.17 176.17 2jyq s PHE 48 N 0.67 3.22 0.04 -5.34 5.36 -1.26 -1.00 117.98 119.66 2jyq s PHE 48 Ca -0.06 -1.28 0.00 0.00 -0.96 0.00 0.00 56.93 54.64 2jyq s PHE 48 Cb -0.15 -3.94 -0.04 0.00 -0.34 0.00 0.00 43.02 38.54 2jyq s PHE 48 CO 0.02 -1.18 0.15 0.34 -1.46 0.00 0.00 175.22 173.10 2jyq s ASP 49 N 3.36 6.06 0.36 6.13 2.15 -0.49 -4.77 116.67 129.47 2jyq s ASP 49 Ca 0.12 0.20 0.22 0.00 0.43 0.00 0.00 52.55 53.52 2jyq s ASP 49 Cb -0.22 -1.81 0.22 0.00 -0.30 0.00 0.00 42.92 40.82 2jyq s ASP 49 CO 0.01 0.20 1.45 0.78 -0.17 0.00 0.00 175.17 177.45 2jyq h ASN 50 N 3.43 0.00 0.00 -0.34 4.21 -1.96 -2.07 115.58 118.85 2jyq h ASN 50 Ca -0.47 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.84 2jyq h ASN 50 Cb 1.17 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.34 2jyq h ASN 50 CO 0.70 0.08 -1.69 0.00 -1.29 0.00 0.00 177.43 175.23 2jyq n ALA 51 N -2.14 2.02 0.55 -0.83 0.00 -1.26 -4.65 120.51 114.21 2jyq n ALA 51 Ca 0.03 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 53.09 2jyq n ALA 51 Cb 0.57 0.30 0.25 0.00 0.00 0.00 0.00 19.45 20.56 2jyq n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jyq h LYS 52 N -0.29 0.00 0.00 0.00 1.57 -2.00 -3.50 116.57 112.36 2jyq h LYS 52 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2jyq h LYS 52 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2jyq h LYS 52 CO -0.14 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 2jyq n GLY 53 N 1.31 -1.15 3.58 3.86 0.00 -0.78 -4.69 105.19 107.32 2jyq n GLY 53 Ca 0.04 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 3.45 -0.14 0.99 1.43 -1.26 -1.40 118.68 121.75 2jyq s LEU 54 Ca 0.00 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2jyq s LEU 54 Cb 0.00 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 43.05 2jyq s LEU 54 CO 0.00 -1.60 -0.21 0.54 0.23 0.00 0.00 176.35 175.30 2jyq s ASN 55 N 3.99 3.17 -0.25 2.29 2.20 -0.17 -4.92 114.94 121.25 2jyq s ASN 55 Ca 0.52 -0.59 -0.21 0.00 -0.94 0.00 0.00 52.86 51.64 2jyq s ASN 55 Cb -0.10 -1.46 -0.02 0.00 -2.00 0.00 0.00 41.25 37.67 2jyq s ASN 55 CO 0.27 0.09 0.65 -0.69 -2.94 0.00 0.00 177.10 174.47 2jyq s VAL 56 N 0.78 4.97 -0.55 3.54 1.01 -1.26 -0.51 120.40 128.38 2jyq s VAL 56 Ca -0.08 1.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 2jyq s VAL 56 Cb -0.16 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.35 2jyq s VAL 56 CO -0.01 0.02 0.70 -0.54 0.00 0.00 0.00 175.10 175.26 2jyq s LYS 57 N 2.54 3.10 -0.99 2.72 1.02 0.52 -4.93 119.74 123.72 2jyq s LYS 57 Ca 0.27 -1.02 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 2jyq s LYS 57 Cb -0.15 -4.17 0.08 0.00 -0.52 0.00 0.00 37.83 33.06 2jyq s LYS 57 CO 0.08 -1.40 1.33 -1.01 -0.92 0.00 0.00 175.35 173.44 2jyq s HIS 58 N 2.82 2.74 0.04 3.18 3.76 -1.26 -2.12 115.29 124.45 2jyq s HIS 58 Ca 0.15 -1.03 -0.30 0.00 -0.15 0.00 0.00 55.06 53.72 2jyq s HIS 58 Cb -0.21 -4.55 -0.05 0.00 1.11 0.00 0.00 32.58 28.89 2jyq s HIS 58 CO 0.10 -1.78 1.12 0.71 -0.85 0.00 0.00 174.74 174.04 2jyq s TYR 59 N 4.17 3.52 -0.44 1.40 1.51 -0.52 -4.85 117.35 122.13 2jyq s TYR 59 Ca 0.41 1.45 -0.19 0.00 -1.01 0.00 0.00 57.07 57.73 2jyq s TYR 59 Cb -0.02 -3.31 0.03 0.00 -0.11 0.00 0.00 41.96 38.55 2jyq s TYR 59 CO -0.10 -0.81 0.57 -1.59 -1.11 0.00 0.00 175.55 172.51 2jyq s LYS 60 N 1.04 3.19 -0.41 -0.62 -2.85 -1.26 0.03 119.74 118.85 2jyq s LYS 60 Ca 0.56 -0.59 -0.26 0.00 -1.00 0.00 0.00 55.97 54.69 2jyq s LYS 60 Cb -0.26 -3.98 0.02 0.00 -2.06 0.00 0.00 37.83 31.55 2jyq s LYS 60 CO 0.29 -0.99 0.92 0.42 0.10 0.00 0.00 175.35 176.09 2jyq s ILE 61 N 2.55 4.53 0.33 3.79 1.01 0.15 -4.73 121.20 128.83 2jyq s ILE 61 Ca 0.18 0.96 0.07 0.00 0.00 0.00 0.00 60.65 61.86 2jyq s ILE 61 Cb -0.16 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 2jyq s ILE 61 CO 0.16 -0.68 0.36 -0.13 0.00 0.00 0.00 174.94 174.64 2jyq s ARG 62 N 3.61 2.92 -0.08 2.79 0.52 -0.95 -2.24 118.95 125.52 2jyq s ARG 62 Ca 0.37 -1.15 0.04 0.00 -0.52 0.00 0.00 55.73 54.48 2jyq s ARG 62 Cb -0.11 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 2jyq s ARG 62 CO 0.23 0.12 -0.21 0.21 0.02 0.00 0.00 175.30 175.66 2jyq s LYS 63 N -4.05 2.82 0.04 3.54 2.20 -1.26 -0.57 119.74 122.45 2jyq s LYS 63 Ca 0.42 -0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 54.98 2jyq s LYS 63 Cb -0.07 -2.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.87 2jyq s LYS 63 CO 0.28 0.34 0.62 -0.51 -0.36 0.00 0.00 175.35 175.72 2jyq s LEU 64 N -0.03 4.47 0.59 5.43 1.43 0.16 -4.96 118.68 125.76 2jyq s LEU 64 Ca -0.06 1.27 0.37 0.00 -1.03 0.00 0.00 54.13 54.67 2jyq s LEU 64 Cb -0.15 -2.98 1.72 0.00 0.03 0.00 0.00 46.19 44.81 2jyq s LEU 64 CO 0.05 0.15 2.12 -2.24 0.23 0.00 0.00 176.35 176.65 2jyq h ASP 65 N 5.22 0.00 -0.80 2.29 2.03 -2.00 -3.02 116.42 120.13 2jyq h ASP 65 Ca -0.46 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.40 2jyq h ASP 65 Cb 1.21 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.29 2jyq h ASP 65 CO 0.68 0.01 -0.94 -1.20 -1.03 0.00 0.00 179.24 176.75 2jyq n SER 66 N -3.12 3.44 0.00 4.15 7.64 -1.26 -4.98 113.62 119.49 2jyq n SER 66 Ca -0.01 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.78 2jyq n SER 66 Cb 0.23 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2jyq n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jyq n GLY 67 N -0.56 -0.96 0.00 0.23 0.00 -1.14 -5.18 105.19 97.58 2jyq n GLY 67 Ca 0.28 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.92 2jyq n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyq n GLY 68 N 0.00 1.65 3.82 -0.02 0.00 -1.24 -4.65 105.19 104.75 2jyq n GLY 68 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2jyq n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jyq s PHE 69 N -0.65 3.72 -0.13 1.61 0.08 0.13 0.35 117.98 123.09 2jyq s PHE 69 Ca 0.00 1.28 -0.09 0.00 0.12 0.00 0.00 56.93 58.24 2jyq s PHE 69 Cb 0.00 -2.52 0.04 0.00 -0.57 0.00 0.00 43.02 39.98 2jyq s PHE 69 CO 0.00 0.47 0.33 1.52 -0.10 0.00 0.00 175.22 177.44 2jyq s TYR 70 N -1.32 -0.43 -0.10 0.36 1.13 0.26 -1.84 117.35 115.43 2jyq s TYR 70 Ca 0.36 0.98 0.15 0.00 -1.41 0.00 0.00 57.07 57.14 2jyq s TYR 70 Cb -0.18 0.15 -0.13 0.00 -1.10 0.00 0.00 41.96 40.70 2jyq s TYR 70 CO 0.20 -0.24 0.93 0.82 -2.51 0.00 0.00 175.55 174.75 2jyq h ILE 71 N 5.27 0.70 -3.48 -3.49 2.04 -1.85 -2.51 117.51 114.19 2jyq h ILE 71 Ca -0.34 -2.26 -0.12 0.00 1.00 0.00 0.00 64.86 63.15 2jyq h ILE 71 Cb 1.18 2.22 -0.19 0.00 -0.74 0.00 0.00 36.82 39.29 2jyq h ILE 71 CO 0.32 0.40 -0.40 0.28 0.00 0.00 0.00 178.15 178.75 2jyq s THR 72 N -2.86 0.10 -1.01 -0.27 -1.32 -1.26 -4.95 115.64 104.07 2jyq s THR 72 Ca -0.02 -0.79 -0.08 0.00 -1.21 0.00 0.00 61.69 59.60 2jyq s THR 72 Cb 0.08 -0.74 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 2jyq s THR 72 CO 0.80 -0.43 3.07 -1.20 -2.21 0.00 0.00 174.62 174.65 2jyq n SER 73 N 0.97 7.45 0.05 8.08 7.64 -1.26 -3.89 113.62 132.66 2jyq n SER 73 Ca -0.20 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.01 2jyq n SER 73 Cb 0.58 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2jyq n SER 73 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jyq n ARG 74 N 2.80 0.00 -4.01 1.43 1.74 -1.26 -5.03 116.66 112.34 2jyq n ARG 74 Ca 0.64 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.41 2jyq n ARG 74 Cb 0.46 -0.24 -0.15 0.00 -1.02 0.00 0.00 32.46 31.51 2jyq n ARG 74 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jyq s THR 75 N -2.00 1.97 0.00 0.55 2.01 -1.25 -5.11 115.64 111.81 2jyq s THR 75 Ca 0.00 -1.71 -0.03 0.00 0.31 0.00 0.00 61.69 60.26 2jyq s THR 75 Cb 0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2jyq s THR 75 CO 0.00 -0.23 0.20 -1.10 -0.69 0.00 0.00 174.62 172.80 2jyq s GLN 76 N 1.15 3.46 -0.01 4.92 1.11 -1.26 -4.77 119.66 124.25 2jyq s GLN 76 Ca -0.02 -0.29 0.01 0.00 0.01 0.00 0.00 55.36 55.07 2jyq s GLN 76 Cb -0.19 -3.08 0.01 0.00 -1.01 0.00 0.00 33.01 28.73 2jyq s GLN 76 CO -0.07 0.66 -0.03 -0.06 0.01 0.00 0.00 175.29 175.80 2jyq s PHE 77 N -1.35 0.38 0.00 0.91 0.08 -0.76 -4.95 117.98 112.29 2jyq s PHE 77 Ca 0.28 -0.06 0.13 0.00 0.12 0.00 0.00 56.93 57.40 2jyq s PHE 77 Cb -0.13 -0.32 0.07 0.00 -0.57 0.00 0.00 43.02 42.07 2jyq s PHE 77 CO 0.19 -0.06 1.44 0.66 -0.10 0.00 0.00 175.22 177.35 2jyq h SER 78 N 6.52 0.00 -3.52 1.36 4.64 -1.85 0.37 113.55 121.07 2jyq h SER 78 Ca -0.33 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.32 2jyq h SER 78 Cb 1.17 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 2jyq h SER 78 CO 0.49 0.66 -0.69 -0.44 -0.87 0.00 0.00 176.83 175.98 2jyq s SER 79 N -6.56 4.61 0.47 4.97 0.01 -1.26 -4.71 113.70 111.23 2jyq s SER 79 Ca 0.02 -0.09 0.22 0.00 1.31 0.00 0.00 55.95 57.41 2jyq s SER 79 Cb 0.09 -1.40 1.19 0.00 0.21 0.00 0.00 66.02 66.11 2jyq s SER 79 CO 0.76 0.28 1.99 -0.07 0.41 0.00 0.00 173.24 176.61 2jyq h LEU 80 N 5.85 0.00 -0.94 2.44 3.38 -1.99 -1.68 115.31 122.38 2jyq h LEU 80 Ca -0.41 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.62 2jyq h LEU 80 Cb 1.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 2jyq h LEU 80 CO 0.56 0.19 0.60 -0.61 0.09 0.00 0.00 178.44 179.26 2jyq h GLN 81 N 0.00 1.06 -0.20 1.13 5.75 -1.98 -1.96 115.11 118.91 2jyq h GLN 81 Ca -0.00 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.27 2jyq h GLN 81 Cb 0.43 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2jyq h GLN 81 CO 0.02 0.70 -0.53 1.96 -2.65 0.00 0.00 178.83 178.34 2jyq h GLN 82 N 1.09 0.59 0.74 1.69 4.20 -1.73 -2.72 115.11 118.98 2jyq h GLN 82 Ca 0.40 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2jyq h GLN 82 Cb 0.15 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2jyq h GLN 82 CO -0.17 0.97 -0.45 1.25 -0.67 0.00 0.00 178.83 179.77 2jyq h LEU 83 N 0.46 -1.12 -0.55 1.46 7.12 -1.03 -2.05 115.31 119.58 2jyq h LEU 83 Ca 0.01 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.04 2jyq h LEU 83 Cb 1.07 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 2jyq h LEU 83 CO 0.10 -0.69 0.16 -0.37 -0.13 0.00 0.00 178.44 177.51 2jyq h VAL 84 N -1.11 1.24 -0.17 1.05 -1.51 -1.47 -1.78 116.25 112.50 2jyq h VAL 84 Ca -0.10 -0.83 0.04 0.00 -1.23 0.00 0.00 66.70 64.58 2jyq h VAL 84 Cb 0.88 0.73 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 2jyq h VAL 84 CO 0.10 0.31 -0.06 0.00 -1.23 0.00 0.00 177.57 176.69 2jyq h ALA 85 N 1.03 0.09 -0.18 5.19 0.00 -1.47 -0.36 119.26 123.56 2jyq h ALA 85 Ca 0.18 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 2jyq h ALA 85 Cb 0.30 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jyq h ALA 85 CO -0.00 -0.50 -0.69 -0.92 0.00 0.00 0.00 179.25 177.14 2jyq h TYR 86 N -0.03 1.04 0.00 0.00 3.20 -1.31 -2.92 116.97 116.95 2jyq h TYR 86 Ca 0.09 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2jyq h TYR 86 Cb 0.16 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2jyq h TYR 86 CO -0.21 1.27 0.00 0.66 -1.64 0.00 0.00 178.16 178.23 2jyq n TYR 87 N -3.99 0.00 0.08 -3.82 4.02 -0.68 -0.57 117.16 112.20 2jyq n TYR 87 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.74 2jyq n TYR 87 Cb 0.70 -0.06 0.01 0.00 -0.02 0.00 0.00 39.34 39.97 2jyq n TYR 87 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2jyq h SER 88 N 0.00 0.25 0.00 7.72 0.87 -0.85 -1.67 113.55 119.87 2jyq h SER 88 Ca 0.00 -0.20 -0.30 0.00 -1.23 0.00 0.00 61.79 60.07 2jyq h SER 88 Cb 0.05 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 2jyq h SER 88 CO 0.00 0.98 -2.09 0.29 -0.53 0.00 0.00 176.83 175.48 2jyq n LYS 89 N -3.68 0.46 -3.37 2.24 4.01 -0.92 -4.06 118.16 112.84 2jyq n LYS 89 Ca -0.03 0.13 -0.45 0.00 -0.51 0.00 0.00 58.31 57.44 2jyq n LYS 89 Cb 0.78 -1.34 -0.06 0.00 -0.51 0.00 0.00 35.03 33.90 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2jyq s HIS 90 N -2.38 3.28 0.35 2.13 2.46 0.26 -4.92 115.29 116.47 2jyq s HIS 90 Ca -0.26 -1.35 0.03 0.00 0.47 0.00 0.00 55.06 53.95 2jyq s HIS 90 Cb 0.08 -3.65 0.66 0.00 -0.13 0.00 0.00 32.58 29.53 2jyq s HIS 90 CO 0.42 -0.98 1.97 0.00 -2.47 0.00 0.00 174.74 173.67 2jyq h ALA 91 N 8.79 1.60 -0.82 1.58 0.00 -1.83 -3.33 119.26 125.25 2jyq h ALA 91 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jyq h ALA 91 Cb 1.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jyq h ALA 91 CO 0.98 0.31 0.00 -3.47 0.00 0.00 0.00 179.25 177.08 2jyq n ASP 92 N -4.46 0.00 -0.06 0.00 -0.08 -1.26 -1.15 116.55 109.54 2jyq n ASP 92 Ca 0.10 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.34 2jyq n ASP 92 Cb 0.15 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.47 2jyq n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jyq n GLY 93 N 0.00 -0.83 3.77 0.27 0.00 -1.26 -4.97 105.19 102.18 2jyq n GLY 93 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2jyq n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyq s LEU 94 N -4.99 4.09 0.47 0.99 1.02 -0.30 -4.92 118.68 115.04 2jyq s LEU 94 Ca -0.08 2.29 0.25 0.00 0.02 0.00 0.00 54.13 56.61 2jyq s LEU 94 Cb 0.07 -4.16 1.12 0.00 0.02 0.00 0.00 46.19 43.24 2jyq s LEU 94 CO 0.70 -0.78 1.92 0.00 0.02 0.00 0.00 176.35 178.21 2jyq s HIS 96 N -3.87 0.48 0.40 0.00 5.65 -1.26 -5.09 115.29 111.60 2jyq s HIS 96 Ca -0.01 -0.09 -0.24 0.00 0.25 0.00 0.00 55.06 54.97 2jyq s HIS 96 Cb 0.12 -0.37 -0.08 0.00 -1.18 0.00 0.00 32.58 31.06 2jyq s HIS 96 CO 0.62 -0.06 1.11 -0.98 -0.65 0.00 0.00 174.74 174.78 2jyq s ARG 97 N 0.24 4.08 -0.45 2.88 3.03 -1.26 -4.90 118.95 122.56 2jyq s ARG 97 Ca -0.02 1.68 -0.27 0.00 2.03 0.00 0.00 55.73 59.14 2jyq s ARG 97 Cb -0.06 -2.59 -0.05 0.00 -1.03 0.00 0.00 34.95 31.22 2jyq s ARG 97 CO -0.00 -0.26 2.20 -0.51 -1.13 0.00 0.00 175.30 175.60 2jyq s LEU 98 N -2.61 3.40 -0.04 -1.89 1.43 -0.63 -4.81 118.68 113.53 2jyq s LEU 98 Ca 0.58 1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 54.75 2jyq s LEU 98 Cb -0.26 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2jyq s LEU 98 CO 0.33 -2.51 -0.04 0.74 0.23 0.00 0.00 176.35 175.10 2jyq h THR 99 N 7.35 0.00 -3.93 5.49 2.02 -1.73 -3.38 112.91 118.71 2jyq h THR 99 Ca -0.28 -0.29 -0.30 0.00 0.77 0.00 0.00 66.41 66.30 2jyq h THR 99 Cb 1.23 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.39 2jyq h THR 99 CO 1.13 0.00 -0.75 0.54 0.37 0.00 0.00 175.52 176.81 2jyq s ASN 100 N -4.05 0.73 0.15 4.18 4.22 -0.55 -5.01 114.94 114.61 2jyq s ASN 100 Ca -0.03 -0.29 -0.14 0.00 -2.14 0.00 0.00 52.86 50.25 2jyq s ASN 100 Cb 0.00 -0.02 -0.07 0.00 1.28 0.00 0.00 41.25 42.44 2jyq s ASN 100 CO 0.05 -0.05 0.56 -0.69 -2.04 0.00 0.00 177.10 174.93 2jyq s VAL 101 N -0.67 4.84 0.13 3.54 1.01 -1.26 -0.65 120.40 127.35 2jyq s VAL 101 Ca -0.03 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 2jyq s VAL 101 Cb -0.05 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2jyq s VAL 101 CO 0.00 0.23 1.20 0.00 0.00 0.00 0.00 175.10 176.53 2jyq s PRO 103 N 0.32 1.94 -0.30 0.00 0.04 -1.26 -4.96 135.00 130.78 2jyq s PRO 103 Ca 0.55 -0.61 -0.11 0.00 0.04 0.00 0.00 61.00 60.87 2jyq s PRO 103 Cb -0.31 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 2jyq s PRO 103 CO 0.33 -1.33 0.20 0.95 0.04 0.00 0.00 177.00 177.19 2jyq s THR 104 N -3.20 5.16 -0.15 1.26 -4.23 -1.26 -4.93 115.64 108.30 2jyq s THR 104 Ca 0.63 -0.06 0.17 0.00 -1.18 0.00 0.00 61.69 61.25 2jyq s THR 104 Cb -0.08 -3.55 0.44 0.00 1.34 0.00 0.00 72.50 70.65 2jyq s THR 104 CO 0.44 0.14 1.19 -0.24 -0.54 0.00 0.00 174.62 175.61 2jyq n SER 105 N 5.06 1.82 0.00 3.99 2.88 -1.26 -5.24 113.62 120.87 2jyq n SER 105 Ca -0.14 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.38 2jyq n SER 105 Cb 0.51 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2jyq n SER 105 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10