#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 2.92 0.33 -1.58 0.00 -1.26 -4.99 121.76 117.17 2jyq s ALA 2 Ca 0.00 -2.43 -0.29 0.00 0.00 0.00 0.00 51.96 49.24 2jyq s ALA 2 Cb 0.00 -4.42 -0.10 0.00 0.00 0.00 0.00 23.12 18.60 2jyq s ALA 2 CO 0.00 -3.44 1.26 -1.21 0.00 0.00 0.00 175.76 172.37 2jyq s GLU 3 N 4.35 4.38 0.18 0.00 0.41 -1.26 -4.93 118.70 121.83 2jyq s GLU 3 Ca 0.43 2.12 -0.20 0.00 -0.41 0.00 0.00 54.97 56.91 2jyq s GLU 3 Cb -0.01 -3.06 0.11 0.00 -1.78 0.00 0.00 34.13 29.39 2jyq s GLU 3 CO -0.09 -0.13 1.60 0.93 -0.49 0.00 0.00 175.26 177.09 2jyq h GLU 4 N 3.40 -0.16 -0.64 1.61 5.08 -1.98 -1.57 114.58 120.32 2jyq h GLU 4 Ca -0.49 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 2jyq h GLU 4 Cb 1.22 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2jyq h GLU 4 CO 0.65 -0.11 0.13 0.11 -1.00 0.00 0.00 179.01 178.79 2jyq h TRP 5 N -0.17 1.09 -1.74 4.33 5.08 -1.92 -3.35 115.95 119.28 2jyq h TRP 5 Ca 0.21 -0.14 -0.68 0.00 1.08 0.00 0.00 58.89 59.36 2jyq h TRP 5 Cb 0.51 -0.30 -0.14 0.00 -3.00 0.00 0.00 29.16 26.23 2jyq h TRP 5 CO -0.54 0.92 1.39 -0.47 -1.28 0.00 0.00 178.44 178.46 2jyq s TYR 6 N -5.25 3.01 -0.56 0.12 5.04 -0.59 -0.96 117.35 118.16 2jyq s TYR 6 Ca -0.12 -1.50 0.20 0.00 -2.44 0.00 0.00 57.07 53.21 2jyq s TYR 6 Cb 0.14 -4.48 0.89 0.00 0.35 0.00 0.00 41.96 38.86 2jyq s TYR 6 CO 0.84 -1.63 1.62 1.19 -1.34 0.00 0.00 175.55 176.22 2jyq n PHE 7 N 7.22 0.61 -0.03 4.97 3.01 -1.03 -4.29 117.46 127.92 2jyq n PHE 7 Ca 0.34 0.25 0.00 0.00 1.01 0.00 0.00 57.45 59.06 2jyq n PHE 7 Cb 0.47 -0.91 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 -0.30 0.21 2.72 1.37 0.00 -1.26 -4.52 105.19 103.41 2jyq n GLY 8 Ca 0.02 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 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 0.02 2.72 -2.54 1.61 5.02 -1.26 0.37 118.16 124.11 2jyq n LYS 9 Ca 0.00 -3.05 -0.36 0.00 -2.02 0.00 0.00 58.31 52.88 2jyq n LYS 9 Cb 0.00 -2.23 -0.04 0.00 -0.02 0.00 0.00 35.03 32.74 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 -3.76 3.73 0.65 -0.18 -4.36 -1.26 -4.92 121.20 111.10 2jyq s ILE 10 Ca 0.55 1.24 -0.13 0.00 -0.26 0.00 0.00 60.65 62.04 2jyq s ILE 10 Cb 0.40 -3.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.51 2jyq s ILE 10 CO -0.32 -0.07 1.06 0.42 0.24 0.00 0.00 174.94 176.27 2jyq s THR 11 N -1.76 3.82 0.39 8.37 -4.23 -1.26 -4.75 115.64 116.21 2jyq s THR 11 Ca 0.61 0.72 0.09 0.00 -1.18 0.00 0.00 61.69 61.93 2jyq s THR 11 Cb -0.20 -3.33 0.31 0.00 1.34 0.00 0.00 72.50 70.62 2jyq s THR 11 CO 0.25 -0.64 1.96 0.08 -0.54 0.00 0.00 174.62 175.73 2jyq h ARG 12 N -0.19 0.60 -0.08 3.99 0.11 -1.99 -0.22 114.38 116.59 2jyq h ARG 12 Ca -0.45 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 59.63 2jyq h ARG 12 Cb 1.22 -0.13 -0.06 0.00 1.11 0.00 0.00 29.97 32.10 2jyq h ARG 12 CO 0.56 0.39 -0.42 -0.09 0.10 0.00 0.00 179.97 180.52 2jyq h ARG 13 N 0.61 -0.50 -0.23 0.08 2.43 -2.00 -2.11 114.38 112.66 2jyq h ARG 13 Ca 0.30 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 2jyq h ARG 13 Cb 0.39 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2jyq h ARG 13 CO -0.10 -0.33 -0.13 0.93 -1.51 0.00 0.00 179.97 178.83 2jyq h GLU 14 N -0.52 0.49 0.28 0.20 5.08 -1.69 -2.37 114.58 116.06 2jyq h GLU 14 Ca 0.06 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2jyq h GLU 14 Cb 0.63 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2jyq h GLU 14 CO -0.37 0.78 -0.46 1.03 -1.00 0.00 0.00 179.01 178.99 2jyq h SER 15 N 0.20 -1.31 0.20 1.42 0.87 -0.94 -1.38 113.55 112.62 2jyq h SER 15 Ca 0.05 0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.54 2jyq h SER 15 Cb 0.64 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2jyq h SER 15 CO 0.04 -0.56 -0.78 1.05 -0.53 0.00 0.00 176.83 176.04 2jyq h GLU 16 N -0.81 0.47 -0.89 2.24 4.11 -1.48 -3.05 114.58 115.19 2jyq h GLU 16 Ca -0.02 -0.41 0.08 0.00 0.07 0.00 0.00 59.36 59.08 2jyq h GLU 16 Cb 0.76 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 2jyq h GLU 16 CO -0.17 1.05 0.58 -0.09 0.07 0.00 0.00 179.01 180.45 2jyq h ARG 17 N 0.31 0.92 -0.71 1.06 9.65 -1.22 0.11 114.38 124.50 2jyq h ARG 17 Ca -0.04 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.73 2jyq h ARG 17 Cb 1.38 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 2jyq h ARG 17 CO 0.14 0.61 0.24 -0.07 2.80 0.00 0.00 179.97 183.69 2jyq h LEU 18 N 0.95 1.01 -0.24 3.80 3.38 -1.15 -2.70 115.31 120.37 2jyq h LEU 18 Ca 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2jyq h LEU 18 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jyq h LEU 18 CO -0.16 0.93 0.00 -0.07 0.09 0.00 0.00 178.44 179.23 2jyq h LEU 19 N 1.05 0.00 0.00 1.67 3.38 -0.79 -2.75 115.31 117.86 2jyq h LEU 19 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jyq h LEU 19 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jyq h LEU 19 CO -0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.70 2jyq n LEU 20 N -2.42 0.00 -4.60 1.67 7.99 -0.20 -4.73 117.00 114.71 2jyq n LEU 20 Ca 0.04 0.22 -0.43 0.00 -0.01 0.00 0.00 56.01 55.83 2jyq n LEU 20 Cb 0.39 -0.22 -0.02 0.00 -0.11 0.00 0.00 43.42 43.46 2jyq n LEU 20 CO 0.28 -0.04 1.27 0.20 -1.51 0.00 0.00 177.39 177.60 2jyq s ASN 21 N -2.44 6.30 0.30 -1.43 0.01 -1.04 -4.88 114.94 111.77 2jyq s ASN 21 Ca 0.28 0.96 0.17 0.00 -0.71 0.00 0.00 52.86 53.56 2jyq s ASN 21 Cb 0.17 -2.54 0.95 0.00 0.41 0.00 0.00 41.25 40.25 2jyq s ASN 21 CO 0.37 -1.43 1.50 -2.65 -1.51 0.00 0.00 177.10 173.37 2jyq n PRO 22 N 8.05 0.11 0.02 -0.60 -0.02 -1.26 -1.12 135.00 140.18 2jyq n PRO 22 Ca 0.17 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 2jyq n PRO 22 Cb 0.48 -1.98 0.45 0.00 -0.02 0.00 0.00 33.50 32.43 2jyq n PRO 22 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2jyq n GLU 23 N -2.14 0.03 -3.80 -0.52 0.28 -1.26 -4.71 120.64 108.53 2jyq n GLU 23 Ca -0.01 0.16 -0.37 0.00 -0.16 0.00 0.00 57.16 56.78 2jyq n GLU 23 Cb 0.13 -1.55 -0.06 0.00 1.43 0.00 0.00 31.44 31.39 2jyq n GLU 23 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jyq s ASN 24 N -3.20 6.43 0.71 -1.84 2.20 -0.28 -5.10 114.94 113.87 2jyq s ASN 24 Ca 0.10 0.52 -0.05 0.00 -0.94 0.00 0.00 52.86 52.49 2jyq s ASN 24 Cb 0.13 -2.10 0.09 0.00 -2.00 0.00 0.00 41.25 37.37 2jyq s ASN 24 CO 0.40 0.36 1.00 -2.16 -2.94 0.00 0.00 177.10 173.76 2jyq s PRO 25 N -0.82 1.93 0.09 3.55 0.04 -1.26 -4.99 135.00 133.53 2jyq s PRO 25 Ca 0.16 -0.62 -0.31 0.00 0.04 0.00 0.00 61.00 60.27 2jyq s PRO 25 Cb -0.13 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 2jyq s PRO 25 CO 0.05 -1.34 1.44 0.50 0.04 0.00 0.00 177.00 177.68 2jyq s ARG 26 N -5.20 4.29 0.00 4.56 3.52 -1.26 -2.83 118.95 122.02 2jyq s ARG 26 Ca 0.63 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 2jyq s ARG 26 Cb -0.08 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2jyq s ARG 26 CO 0.44 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 2jyq n GLY 27 N 3.61 1.00 3.72 8.12 0.00 -1.13 -4.91 105.19 115.59 2jyq n GLY 27 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.90 0.08 2.61 2.01 -1.13 -1.74 115.64 119.37 2jyq s THR 28 Ca 0.00 1.37 -0.03 0.00 0.31 0.00 0.00 61.69 63.35 2jyq s THR 28 Cb 0.00 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2jyq s THR 28 CO 0.00 0.11 0.05 0.72 -0.69 0.00 0.00 174.62 174.81 2jyq s PHE 29 N 0.99 0.53 -0.18 4.92 -0.71 -0.61 -0.25 117.98 122.66 2jyq s PHE 29 Ca 0.59 -1.01 -0.27 0.00 -1.04 0.00 0.00 56.93 55.21 2jyq s PHE 29 Cb -0.31 -0.33 0.07 0.00 -1.21 0.00 0.00 43.02 41.24 2jyq s PHE 29 CO 0.30 -0.46 0.69 -0.48 -1.34 0.00 0.00 175.22 173.93 2jyq s LEU 30 N -2.94 -0.67 -0.21 -1.99 2.34 -0.56 -0.12 118.68 114.52 2jyq s LEU 30 Ca 0.11 1.14 -0.04 0.00 0.06 0.00 0.00 54.13 55.41 2jyq s LEU 30 Cb 0.07 2.46 -0.01 0.00 -0.56 0.00 0.00 46.19 48.15 2jyq s LEU 30 CO -0.07 -0.39 -0.05 0.54 -1.06 0.00 0.00 176.35 175.33 2jyq s VAL 31 N -0.24 3.37 -0.02 1.48 0.11 -0.14 -1.14 120.40 123.82 2jyq s VAL 31 Ca -0.04 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.52 2jyq s VAL 31 Cb -0.03 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.26 2jyq s VAL 31 CO 0.04 0.43 -0.02 0.00 -3.33 0.00 0.00 175.10 172.23 2jyq s ARG 32 N 1.36 2.77 -0.70 1.54 1.70 -0.77 -2.45 118.95 122.40 2jyq s ARG 32 Ca 0.04 -0.59 -0.27 0.00 -0.47 0.00 0.00 55.73 54.44 2jyq s ARG 32 Cb -0.14 -2.65 0.02 0.00 -0.57 0.00 0.00 34.95 31.61 2jyq s ARG 32 CO -0.02 0.64 1.35 -2.00 -1.08 0.00 0.00 175.30 174.19 2jyq s GLU 33 N -1.31 3.16 -1.35 3.89 2.56 0.16 -1.98 118.70 123.83 2jyq s GLU 33 Ca 0.17 -0.05 -0.16 0.00 0.00 0.00 0.00 54.97 54.93 2jyq s GLU 33 Cb -0.11 -4.19 0.07 0.00 2.00 0.00 0.00 34.13 31.90 2jyq s GLU 33 CO 0.07 -2.17 1.89 0.45 -0.56 0.00 0.00 175.26 174.94 2jyq n SER 34 N 9.73 4.62 0.00 -1.70 2.88 -1.25 -4.42 113.62 123.47 2jyq n SER 34 Ca 0.06 -2.90 0.04 0.00 -1.33 0.00 0.00 58.87 54.74 2jyq n SER 34 Cb 0.49 -1.71 0.21 0.00 -0.75 0.00 0.00 64.21 62.45 2jyq n SER 34 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jyq n GLU 35 N 7.45 0.13 0.21 -1.46 -0.00 -1.26 -0.18 120.64 125.52 2jyq n GLU 35 Ca 0.49 0.19 0.07 0.00 -0.00 0.00 0.00 57.16 57.91 2jyq n GLU 35 Cb 0.43 -1.50 0.44 0.00 -0.00 0.00 0.00 31.44 30.81 2jyq n GLU 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2jyq h THR 36 N 0.00 0.88 -2.66 3.84 2.02 -1.95 -3.37 112.91 111.66 2jyq h THR 36 Ca 0.00 -1.22 -0.57 0.00 0.77 0.00 0.00 66.41 65.39 2jyq h THR 36 Cb 0.07 1.73 -0.39 0.00 -1.74 0.00 0.00 68.15 67.82 2jyq h THR 36 CO 0.00 0.30 -0.83 -0.89 0.37 0.00 0.00 175.52 174.47 2jyq s THR 37 N -3.88 0.18 0.04 3.16 2.01 0.74 -5.11 115.64 112.79 2jyq s THR 37 Ca -0.01 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 60.13 2jyq s THR 37 Cb 0.12 -1.15 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 2jyq s THR 37 CO 0.67 -0.93 1.92 -0.54 -0.69 0.00 0.00 174.62 175.05 2jyq s LYS 38 N 1.25 4.14 0.00 4.92 -0.14 -1.25 -1.66 119.74 127.00 2jyq s LYS 38 Ca 0.16 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.35 2jyq s LYS 38 Cb -0.22 -4.06 0.00 0.00 -1.68 0.00 0.00 37.83 31.87 2jyq s LYS 38 CO -0.07 -0.93 0.00 0.41 -0.76 0.00 0.00 175.35 174.00 2jyq n GLY 39 N 4.46 0.61 3.08 -3.33 0.00 -1.26 -4.96 105.19 103.78 2jyq n GLY 39 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.29 0.28 4.61 0.00 -0.67 0.08 121.76 127.35 2jyq s ALA 40 Ca 0.00 -2.87 -0.14 0.00 0.00 0.00 0.00 51.96 48.94 2jyq s ALA 40 Cb 0.00 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.62 2jyq s ALA 40 CO 0.00 -1.92 0.69 0.71 0.00 0.00 0.00 175.76 175.24 2jyq s TYR 41 N 0.54 3.43 -0.38 0.00 1.51 0.61 -3.86 117.35 119.20 2jyq s TYR 41 Ca 0.13 1.16 -0.07 0.00 -1.01 0.00 0.00 57.07 57.28 2jyq s TYR 41 Cb -0.22 -2.48 0.07 0.00 -0.11 0.00 0.00 41.96 39.22 2jyq s TYR 41 CO -0.04 0.18 0.18 0.00 -1.11 0.00 0.00 175.55 174.76 2jyq s LEU 43 N 1.35 4.59 -0.02 0.00 1.98 -0.18 -1.84 118.68 124.57 2jyq s LEU 43 Ca 0.02 -1.83 -0.28 0.00 -2.89 0.00 0.00 54.13 49.15 2jyq s LEU 43 Cb -0.22 -2.45 -0.03 0.00 0.66 0.00 0.00 46.19 44.16 2jyq s LEU 43 CO 0.01 -1.20 0.90 -0.55 -1.89 0.00 0.00 176.35 173.62 2jyq s SER 44 N 4.00 7.25 0.02 3.68 0.15 -0.29 -0.48 113.70 128.03 2jyq s SER 44 Ca 0.36 1.52 0.06 0.00 0.70 0.00 0.00 55.95 58.58 2jyq s SER 44 Cb -0.04 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2jyq s SER 44 CO -0.09 -0.23 -0.17 0.54 1.20 0.00 0.00 173.24 174.49 2jyq s VAL 45 N 1.01 1.36 -0.38 4.45 0.11 0.01 -1.50 120.40 125.46 2jyq s VAL 45 Ca 0.48 -0.94 -0.26 0.00 -2.93 0.00 0.00 61.98 58.32 2jyq s VAL 45 Cb -0.20 -1.18 0.02 0.00 -1.53 0.00 0.00 36.38 33.49 2jyq s VAL 45 CO 0.25 0.21 0.96 -0.44 -3.33 0.00 0.00 175.10 172.75 2jyq s SER 46 N -0.85 6.68 0.04 3.54 0.01 0.65 -1.76 113.70 122.01 2jyq s SER 46 Ca 0.05 0.58 -0.12 0.00 1.31 0.00 0.00 55.95 57.77 2jyq s SER 46 Cb -0.08 -2.48 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2jyq s SER 46 CO 0.01 -0.91 0.40 -0.62 0.41 0.00 0.00 173.24 172.53 2jyq s ASP 47 N 1.94 6.71 -0.15 2.44 -1.08 0.20 -2.82 116.67 123.91 2jyq s ASP 47 Ca 0.39 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.29 2jyq s ASP 47 Cb -0.11 -2.21 0.03 0.00 -1.46 0.00 0.00 42.92 39.17 2jyq s ASP 47 CO 0.20 0.25 -0.10 0.12 0.52 0.00 0.00 175.17 176.16 2jyq s PHE 48 N -1.24 1.97 0.03 -5.34 5.36 -1.26 0.12 117.98 117.61 2jyq s PHE 48 Ca 0.28 -1.15 0.05 0.00 -0.96 0.00 0.00 56.93 55.15 2jyq s PHE 48 Cb -0.15 -1.47 -0.02 0.00 -0.34 0.00 0.00 43.02 41.04 2jyq s PHE 48 CO 0.15 -0.64 -0.15 0.34 -1.46 0.00 0.00 175.22 173.47 2jyq s ASP 49 N 1.55 1.75 -0.23 6.13 2.15 0.19 -5.02 116.67 123.19 2jyq s ASP 49 Ca 0.03 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.62 2jyq s ASP 49 Cb -0.14 -0.14 0.30 0.00 -0.30 0.00 0.00 42.92 42.64 2jyq s ASP 49 CO -0.09 0.09 1.54 0.59 -0.17 0.00 0.00 175.17 177.12 2jyq n ASN 50 N 2.13 3.89 0.00 -0.34 4.13 -1.26 -1.27 115.26 122.54 2jyq n ASN 50 Ca -0.17 -2.81 0.00 0.00 1.68 0.00 0.00 54.58 53.28 2jyq n ASN 50 Cb 0.55 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jyq n ALA 51 N -0.17 2.96 1.01 5.41 0.00 -1.26 -4.87 120.51 123.58 2jyq n ALA 51 Ca 0.29 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2jyq n ALA 51 Cb 0.97 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 20.44 2jyq n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jyq n LYS 52 N -2.53 0.38 0.00 0.00 5.02 -1.25 -5.07 118.16 114.71 2jyq n LYS 52 Ca 0.00 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 2jyq n LYS 52 Cb 0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2jyq n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jyq n GLY 53 N 1.47 0.55 3.73 0.72 0.00 -0.40 -4.83 105.19 106.43 2jyq n GLY 53 Ca 0.06 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 4.33 -0.10 0.99 1.02 -1.26 -0.64 118.68 123.02 2jyq s LEU 54 Ca 0.00 1.10 0.04 0.00 0.02 0.00 0.00 54.13 55.29 2jyq s LEU 54 Cb 0.00 -2.96 -0.00 0.00 0.02 0.00 0.00 46.19 43.25 2jyq s LEU 54 CO 0.00 -0.04 -0.24 0.20 0.02 0.00 0.00 176.35 176.29 2jyq s ASN 55 N 0.55 3.10 -0.31 2.29 0.01 0.12 -4.95 114.94 115.74 2jyq s ASN 55 Ca 0.33 -0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 51.83 2jyq s ASN 55 Cb -0.17 -1.34 -0.02 0.00 0.41 0.00 0.00 41.25 40.13 2jyq s ASN 55 CO 0.16 0.17 0.18 -0.69 -1.51 0.00 0.00 177.10 175.41 2jyq s VAL 56 N 0.28 4.92 -0.26 1.60 1.01 -1.26 0.60 120.40 127.28 2jyq s VAL 56 Ca -0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2jyq s VAL 56 Cb -0.17 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2jyq s VAL 56 CO 0.08 0.08 0.03 -0.54 0.00 0.00 0.00 175.10 174.76 2jyq s LYS 57 N 1.67 3.23 -0.66 2.72 1.02 -0.72 -4.94 119.74 122.06 2jyq s LYS 57 Ca 0.06 -0.75 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 2jyq s LYS 57 Cb -0.17 -3.23 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2jyq s LYS 57 CO 0.08 -0.34 0.93 -1.01 -0.92 0.00 0.00 175.35 174.10 2jyq s HIS 58 N 1.49 2.73 0.54 3.18 3.76 -1.26 -0.81 115.29 124.91 2jyq s HIS 58 Ca 0.04 -0.63 -0.16 0.00 -0.15 0.00 0.00 55.06 54.16 2jyq s HIS 58 Cb -0.16 -4.25 -0.07 0.00 1.11 0.00 0.00 32.58 29.21 2jyq s HIS 58 CO 0.00 -1.60 1.00 0.71 -0.85 0.00 0.00 174.74 174.00 2jyq s TYR 59 N 3.84 3.43 -0.45 1.40 2.02 0.37 -4.83 117.35 123.13 2jyq s TYR 59 Ca 0.21 1.45 -0.16 0.00 -0.37 0.00 0.00 57.07 58.19 2jyq s TYR 59 Cb -0.18 -2.80 0.04 0.00 -0.40 0.00 0.00 41.96 38.62 2jyq s TYR 59 CO 0.09 -0.47 0.42 0.15 -1.57 0.00 0.00 175.55 174.16 2jyq s LYS 60 N -4.21 3.03 -1.12 -0.62 1.02 -1.26 -1.01 119.74 115.57 2jyq s LYS 60 Ca 0.59 -1.03 -0.07 0.00 0.02 0.00 0.00 55.97 55.47 2jyq s LYS 60 Cb -0.11 -4.04 0.28 0.00 -0.52 0.00 0.00 37.83 33.44 2jyq s LYS 60 CO 0.35 -0.93 1.31 -0.89 -0.92 0.00 0.00 175.35 174.26 2jyq n ILE 61 N 5.32 4.86 -3.69 2.17 5.41 0.16 -3.68 119.36 129.90 2jyq n ILE 61 Ca -0.10 -5.53 -0.36 0.00 1.00 0.00 0.00 62.75 57.76 2jyq n ILE 61 Cb 0.46 -2.37 -0.07 0.00 -0.71 0.00 0.00 39.64 36.95 2jyq n ILE 61 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2jyq s ARG 62 N -1.67 3.98 0.28 0.38 3.52 -0.79 -0.28 118.95 124.38 2jyq s ARG 62 Ca 0.32 -0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2jyq s ARG 62 Cb -0.03 -3.34 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 2jyq s ARG 62 CO 0.00 0.45 1.17 0.21 -0.81 0.00 0.00 175.30 176.32 2jyq s LYS 63 N -0.11 4.54 0.51 5.12 2.20 0.11 -2.69 119.74 129.41 2jyq s LYS 63 Ca 0.14 1.93 -0.21 0.00 -0.36 0.00 0.00 55.97 57.47 2jyq s LYS 63 Cb -0.12 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 2jyq s LYS 63 CO 0.03 0.06 1.18 -0.51 -0.36 0.00 0.00 175.35 175.75 2jyq s LEU 64 N -1.41 3.87 0.26 5.43 1.43 0.10 -4.92 118.68 123.44 2jyq s LEU 64 Ca 0.47 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.84 2jyq s LEU 64 Cb -0.34 -4.39 0.50 0.00 0.03 0.00 0.00 46.19 41.98 2jyq s LEU 64 CO 0.44 -1.16 1.63 0.44 0.23 0.00 0.00 176.35 177.93 2jyq h ASP 65 N 1.59 -0.35 -0.91 2.29 5.19 -1.96 -2.81 116.42 119.47 2jyq h ASP 65 Ca -0.50 0.21 -0.34 0.00 -0.62 0.00 0.00 57.03 55.78 2jyq h ASP 65 Cb 1.26 0.36 -0.40 0.00 0.18 0.00 0.00 39.33 40.73 2jyq h ASP 65 CO 0.58 -0.20 -1.18 -1.20 -3.12 0.00 0.00 179.24 174.12 2jyq n SER 66 N -5.36 1.48 0.00 6.45 7.64 -1.26 -5.03 113.62 117.55 2jyq n SER 66 Ca 0.15 -2.61 0.00 0.00 1.01 0.00 0.00 58.87 57.43 2jyq n SER 66 Cb 0.52 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.15 2.40 0.24 0.23 0.00 -1.06 -5.19 105.19 101.66 2jyq n GLY 67 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 1.49 2.81 3.83 -0.02 0.00 -1.26 -4.82 105.19 107.22 2jyq n GLY 68 Ca 0.00 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 -5.72 3.73 -0.04 1.61 0.08 0.11 0.00 117.98 117.75 2jyq s PHE 69 Ca 0.02 1.12 -0.07 0.00 0.12 0.00 0.00 56.93 58.12 2jyq s PHE 69 Cb -0.00 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.07 2jyq s PHE 69 CO 0.01 0.57 0.17 1.52 -0.10 0.00 0.00 175.22 177.40 2jyq s TYR 70 N -1.19 -0.12 -0.19 0.36 -0.85 -1.10 -0.56 117.35 113.71 2jyq s TYR 70 Ca 0.29 0.28 0.21 0.00 -0.52 0.00 0.00 57.07 57.33 2jyq s TYR 70 Cb -0.17 0.03 -0.07 0.00 0.38 0.00 0.00 41.96 42.13 2jyq s TYR 70 CO 0.17 -0.17 0.92 -0.89 -1.52 0.00 0.00 175.55 174.07 2jyq n ILE 71 N 2.42 0.75 -3.77 -3.49 5.41 -1.24 -1.88 119.36 117.57 2jyq n ILE 71 Ca -0.16 -0.59 -0.12 0.00 1.00 0.00 0.00 62.75 62.88 2jyq n ILE 71 Cb 0.58 -0.43 -0.08 0.00 -0.71 0.00 0.00 39.64 38.99 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 -3.24 0.08 0.00 1.39 -1.32 -1.26 -4.41 115.64 106.88 2jyq s THR 72 Ca -0.02 -0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 59.77 2jyq s THR 72 Cb 0.10 -0.84 -0.17 0.00 -1.51 0.00 0.00 72.50 70.08 2jyq s THR 72 CO 0.81 -0.36 2.88 -1.20 -2.21 0.00 0.00 174.62 174.53 2jyq n SER 73 N 0.79 4.84 0.03 8.08 7.64 -1.26 -3.74 113.62 130.00 2jyq n SER 73 Ca -0.19 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.32 2jyq n SER 73 Cb 0.58 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 2.22 0.00 -4.03 1.43 1.74 -1.26 -5.09 116.66 111.67 2jyq n ARG 74 Ca 0.27 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.04 2jyq n ARG 74 Cb 0.72 -0.07 -0.06 0.00 -1.02 0.00 0.00 32.46 32.03 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 -1.30 4.78 -0.08 0.55 2.01 -1.25 -5.12 115.64 115.24 2jyq s THR 75 Ca 0.00 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2jyq s THR 75 Cb 0.00 -3.28 0.07 0.00 0.01 0.00 0.00 72.50 69.29 2jyq s THR 75 CO 0.00 0.18 0.67 0.00 -0.69 0.00 0.00 174.62 174.78 2jyq s GLN 76 N -2.27 1.01 0.03 4.92 -2.07 -1.26 -4.43 119.66 115.60 2jyq s GLN 76 Ca 0.29 0.33 0.01 0.00 -1.82 0.00 0.00 55.36 54.18 2jyq s GLN 76 Cb -0.12 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2jyq s GLN 76 CO 0.22 -0.29 -0.06 -0.06 -1.32 0.00 0.00 175.29 173.77 2jyq s PHE 77 N -0.99 0.53 -0.69 9.60 0.08 0.28 -4.94 117.98 121.85 2jyq s PHE 77 Ca -0.10 -0.51 0.25 0.00 0.12 0.00 0.00 56.93 56.70 2jyq s PHE 77 Cb -0.01 -0.33 0.64 0.00 -0.57 0.00 0.00 43.02 42.75 2jyq s PHE 77 CO 0.09 -0.12 1.62 1.03 -0.10 0.00 0.00 175.22 177.74 2jyq h SER 78 N 4.55 0.00 -4.26 1.36 0.87 -1.90 0.31 113.55 114.48 2jyq h SER 78 Ca -0.34 -0.07 -0.50 0.00 -1.23 0.00 0.00 61.79 59.65 2jyq h SER 78 Cb 1.20 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.89 2jyq h SER 78 CO 0.41 0.03 -0.82 -0.44 -0.53 0.00 0.00 176.83 175.48 2jyq s SER 79 N -4.53 1.82 0.42 6.23 0.01 -1.26 -4.74 113.70 111.65 2jyq s SER 79 Ca 0.09 -0.33 0.19 0.00 1.31 0.00 0.00 55.95 57.20 2jyq s SER 79 Cb 0.12 -0.18 0.94 0.00 0.21 0.00 0.00 66.02 67.11 2jyq s SER 79 CO 0.64 0.15 1.89 -0.07 0.41 0.00 0.00 173.24 176.26 2jyq h LEU 80 N 5.52 0.00 -0.19 2.44 3.38 -1.99 -2.26 115.31 122.21 2jyq h LEU 80 Ca -0.36 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2jyq h LEU 80 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2jyq h LEU 80 CO 0.47 0.29 -0.02 -0.61 0.09 0.00 0.00 178.44 178.66 2jyq h GLN 81 N 0.00 0.36 -0.05 1.13 -0.00 -1.99 -2.71 115.11 111.85 2jyq h GLN 81 Ca -0.00 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.46 2jyq h GLN 81 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.04 2jyq h GLN 81 CO 0.04 0.59 -0.24 1.96 0.00 0.00 0.00 178.83 181.17 2jyq h GLN 82 N 0.09 0.08 0.08 1.69 7.50 -1.93 -1.75 115.11 120.87 2jyq h GLN 82 Ca 0.05 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.18 2jyq h GLN 82 Cb 0.44 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 2jyq h GLN 82 CO 0.01 0.32 -0.10 1.25 -1.50 0.00 0.00 178.83 178.81 2jyq h LEU 83 N 0.07 -0.29 -0.65 1.46 7.12 -1.12 -1.19 115.31 120.71 2jyq h LEU 83 Ca 0.01 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 2jyq h LEU 83 Cb 0.47 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.67 2jyq h LEU 83 CO 0.03 -0.13 0.34 -0.37 -0.13 0.00 0.00 178.44 178.18 2jyq h VAL 84 N -0.19 1.21 -0.49 1.05 -1.51 -1.45 -1.39 116.25 113.48 2jyq h VAL 84 Ca -0.01 -0.57 0.08 0.00 -1.23 0.00 0.00 66.70 64.97 2jyq h VAL 84 Cb 0.17 0.40 -0.06 0.00 -2.13 0.00 0.00 31.29 29.66 2jyq h VAL 84 CO -0.02 0.24 0.12 0.00 -1.23 0.00 0.00 177.57 176.68 2jyq h ALA 85 N 1.16 0.57 0.09 5.19 0.00 -1.30 -2.01 119.26 122.95 2jyq h ALA 85 Ca 0.23 0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 2jyq h ALA 85 Cb 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jyq h ALA 85 CO -0.03 -0.28 -1.24 -0.92 0.00 0.00 0.00 179.25 176.78 2jyq h TYR 86 N 0.27 0.35 0.00 0.00 3.20 -1.02 -3.16 116.97 116.61 2jyq h TYR 86 Ca 0.24 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jyq h TYR 86 Cb 0.30 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2jyq h TYR 86 CO -0.20 1.22 0.00 0.66 -1.64 0.00 0.00 178.16 178.19 2jyq n TYR 87 N -3.46 0.00 0.46 -3.82 4.02 -0.54 0.12 117.16 113.94 2jyq n TYR 87 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.94 2jyq n TYR 87 Cb 1.01 -0.37 0.32 0.00 -0.02 0.00 0.00 39.34 40.27 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 -1.33 -2.24 113.55 117.72 2jyq h SER 88 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2jyq h SER 88 Cb 0.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2jyq h SER 88 CO 0.00 0.00 -1.68 1.17 -1.14 0.00 0.00 176.83 175.18 2jyq n LYS 89 N -2.60 1.74 -3.78 3.45 4.81 0.48 -4.51 118.16 117.76 2jyq n LYS 89 Ca 0.05 -0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.17 2jyq n LYS 89 Cb 0.47 -1.28 -0.16 0.00 0.02 0.00 0.00 35.03 34.09 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2jyq s HIS 90 N -2.40 1.65 0.09 5.64 2.46 0.12 -5.00 115.29 117.85 2jyq s HIS 90 Ca -0.05 -1.47 -0.14 0.00 0.47 0.00 0.00 55.06 53.87 2jyq s HIS 90 Cb 0.04 -1.48 -0.14 0.00 -0.13 0.00 0.00 32.58 30.87 2jyq s HIS 90 CO 0.45 -0.77 1.32 0.00 -2.47 0.00 0.00 174.74 173.28 2jyq h ALA 91 N 8.11 0.33 -0.99 1.58 0.00 -1.85 -3.35 119.26 123.07 2jyq h ALA 91 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2jyq h ALA 91 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jyq h ALA 91 CO 0.42 0.58 0.00 -0.25 0.00 0.00 0.00 179.25 180.00 2jyq n ASP 92 N -4.06 0.00 -0.06 0.00 8.00 -1.26 -1.59 116.55 117.57 2jyq n ASP 92 Ca -0.06 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 2jyq n ASP 92 Cb 0.65 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.60 2jyq n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyq n GLY 93 N 0.00 -0.97 3.77 0.44 0.00 -1.26 -4.91 105.19 102.26 2jyq n GLY 93 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.85 4.35 0.39 0.99 1.02 -0.62 -4.91 118.68 114.05 2jyq s LEU 94 Ca -0.09 2.52 0.28 0.00 0.02 0.00 0.00 54.13 56.86 2jyq s LEU 94 Cb 0.07 -3.78 1.06 0.00 0.02 0.00 0.00 46.19 43.56 2jyq s LEU 94 CO 0.82 -0.55 1.82 0.00 0.02 0.00 0.00 176.35 178.46 2jyq s HIS 96 N -3.42 0.38 0.50 0.00 3.76 -1.26 -5.11 115.29 110.12 2jyq s HIS 96 Ca 0.04 -0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 54.71 2jyq s HIS 96 Cb 0.09 -0.43 -0.07 0.00 1.11 0.00 0.00 32.58 33.27 2jyq s HIS 96 CO 0.50 -0.13 1.10 -0.98 -0.85 0.00 0.00 174.74 174.38 2jyq s ARG 97 N 0.95 3.62 0.01 1.40 1.70 -1.26 -4.90 118.95 120.47 2jyq s ARG 97 Ca -0.10 1.56 -0.30 0.00 -0.47 0.00 0.00 55.73 56.43 2jyq s ARG 97 Cb -0.13 -2.15 -0.08 0.00 -0.57 0.00 0.00 34.95 32.02 2jyq s ARG 97 CO -0.01 -0.62 1.87 -0.51 -1.08 0.00 0.00 175.30 174.95 2jyq s LEU 98 N -3.47 4.40 -0.02 -1.89 1.43 -0.84 -4.75 118.68 113.54 2jyq s LEU 98 Ca 0.68 2.54 -0.07 0.00 -1.03 0.00 0.00 54.13 56.25 2jyq s LEU 98 Cb -0.22 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2jyq s LEU 98 CO 0.26 -1.01 -0.14 0.41 0.23 0.00 0.00 176.35 176.10 2jyq n THR 99 N 5.52 1.26 -4.32 5.49 -1.04 -0.71 -4.24 114.28 116.24 2jyq n THR 99 Ca 0.19 0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 62.31 2jyq n THR 99 Cb 0.42 -1.87 -0.14 0.00 -1.82 0.00 0.00 70.33 66.92 2jyq n THR 99 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jyq s ASN 100 N -5.87 1.07 0.43 8.00 4.22 -0.74 -5.02 114.94 117.03 2jyq s ASN 100 Ca -0.12 -0.23 -0.21 0.00 -2.14 0.00 0.00 52.86 50.17 2jyq s ASN 100 Cb 0.02 -0.10 -0.11 0.00 1.28 0.00 0.00 41.25 42.34 2jyq s ASN 100 CO 0.17 0.07 0.95 -0.69 -2.04 0.00 0.00 177.10 175.56 2jyq s VAL 101 N -0.39 4.37 -0.05 3.54 1.01 -1.26 -1.57 120.40 126.06 2jyq s VAL 101 Ca 0.02 1.49 -0.34 0.00 0.00 0.00 0.00 61.98 63.15 2jyq s VAL 101 Cb -0.04 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 2jyq s VAL 101 CO -0.00 -0.31 1.84 0.00 0.00 0.00 0.00 175.10 176.63 2jyq s PRO 103 N 3.61 4.59 0.07 0.00 0.04 -1.26 -4.98 135.00 137.07 2jyq s PRO 103 Ca 0.91 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.83 2jyq s PRO 103 Cb -0.69 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.48 2jyq s PRO 103 CO 0.50 0.46 1.47 0.95 0.04 0.00 0.00 177.00 180.42 2jyq s THR 104 N -0.77 3.30 0.06 1.26 -4.23 -1.26 -4.92 115.64 109.08 2jyq s THR 104 Ca 0.38 0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 61.41 2jyq s THR 104 Cb -0.23 -3.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.00 2jyq s THR 104 CO 0.26 0.03 1.73 -0.94 -0.54 0.00 0.00 174.62 175.16 2jyq s SER 105 N 1.66 6.56 0.00 3.99 1.04 -1.26 -5.28 113.70 120.40 2jyq s SER 105 Ca 0.67 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.63 2jyq s SER 105 Cb -0.37 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.20 2jyq s SER 105 CO 0.30 -0.94 0.01 2.29 0.98 0.00 0.00 173.24 175.87