#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 0.30 0.08 -1.58 0.00 0.67 -5.01 121.76 116.22 2jyq s ALA 2 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2jyq s ALA 2 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2jyq s ALA 2 CO 0.00 -2.02 0.00 0.39 0.00 0.00 0.00 175.76 174.13 2jyq n GLU 3 N 4.40 -0.66 -0.04 0.00 1.02 -1.26 -3.29 120.64 120.81 2jyq n GLU 3 Ca 0.08 0.44 -0.15 0.00 -0.02 0.00 0.00 57.16 57.50 2jyq n GLU 3 Cb 0.41 -0.81 -0.08 0.00 -0.02 0.00 0.00 31.44 30.95 2jyq n GLU 3 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jyq h GLU 4 N 0.00 0.52 -0.42 3.49 5.08 -1.98 -3.34 114.58 117.93 2jyq h GLU 4 Ca 0.01 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 2jyq h GLU 4 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jyq h GLU 4 CO 0.00 1.02 -0.00 0.11 -1.00 0.00 0.00 179.01 179.14 2jyq h TRP 5 N 0.14 0.81 -2.32 4.33 5.08 -1.93 -3.38 115.95 118.67 2jyq h TRP 5 Ca -0.02 -0.14 -0.62 0.00 1.08 0.00 0.00 58.89 59.19 2jyq h TRP 5 Cb 1.08 -0.21 -0.13 0.00 -3.00 0.00 0.00 29.16 26.90 2jyq h TRP 5 CO 0.11 0.81 0.84 -0.47 -1.28 0.00 0.00 178.44 178.45 2jyq s TYR 6 N -5.00 2.66 -0.05 0.12 5.04 -1.21 -1.29 117.35 117.63 2jyq s TYR 6 Ca -0.13 -0.65 -0.05 0.00 -2.44 0.00 0.00 57.07 53.80 2jyq s TYR 6 Cb 0.10 -4.42 -0.03 0.00 0.35 0.00 0.00 41.96 37.97 2jyq s TYR 6 CO 0.80 -1.75 0.27 0.74 -1.34 0.00 0.00 175.55 174.27 2jyq h PHE 7 N 9.55 -0.18 0.00 4.97 -1.00 -1.61 0.19 116.94 128.87 2jyq h PHE 7 Ca -0.13 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.65 2jyq h PHE 7 Cb 1.05 0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.67 2jyq h PHE 7 CO 1.09 -0.11 0.00 0.41 -1.61 0.00 0.00 178.31 178.09 2jyq n GLY 8 N 1.21 0.94 2.45 -1.45 0.00 -1.24 -1.13 105.19 105.98 2jyq n GLY 8 Ca -0.02 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 3.80 -2.62 1.61 2.85 -1.26 -0.43 118.16 122.11 2jyq n LYS 9 Ca 0.00 -2.67 -0.42 0.00 -1.05 0.00 0.00 58.31 54.17 2jyq n LYS 9 Cb 0.00 -2.84 -0.04 0.00 -0.65 0.00 0.00 35.03 31.51 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 1.36 4.42 1.08 0.58 -4.36 -1.26 -4.92 121.20 118.10 2jyq s ILE 10 Ca 0.60 1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 62.68 2jyq s ILE 10 Cb 0.17 -4.19 0.24 0.00 1.25 0.00 0.00 42.46 39.93 2jyq s ILE 10 CO -0.07 0.22 1.21 0.42 0.24 0.00 0.00 174.94 176.96 2jyq s THR 11 N 0.51 1.80 0.10 8.37 -4.23 -1.26 -4.62 115.64 116.31 2jyq s THR 11 Ca 0.51 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.81 2jyq s THR 11 Cb -0.25 -2.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.75 2jyq s THR 11 CO 0.30 0.00 1.73 0.03 -0.54 0.00 0.00 174.62 176.14 2jyq h ARG 12 N -2.11 0.03 -0.78 3.99 2.47 -1.98 0.56 114.38 116.56 2jyq h ARG 12 Ca -0.45 -0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.38 2jyq h ARG 12 Cb 1.27 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.53 2jyq h ARG 12 CO 0.37 0.02 0.51 0.00 0.56 0.00 0.00 179.97 181.43 2jyq h ARG 13 N 0.03 0.63 0.03 0.04 3.08 -1.99 0.19 114.38 116.38 2jyq h ARG 13 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jyq h ARG 13 Cb 0.04 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2jyq h ARG 13 CO -0.06 0.41 -0.01 0.93 -1.07 0.00 0.00 179.97 180.17 2jyq h GLU 14 N 0.64 -0.04 -0.28 0.04 5.08 -1.77 -2.97 114.58 115.28 2jyq h GLU 14 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2jyq h GLU 14 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2jyq h GLU 14 CO -0.14 0.58 0.14 0.66 -1.00 0.00 0.00 179.01 179.25 2jyq h SER 15 N -0.96 0.37 -0.11 1.42 4.64 -0.65 -2.55 113.55 115.71 2jyq h SER 15 Ca -0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2jyq h SER 15 Cb 0.63 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2jyq h SER 15 CO 0.01 0.38 0.04 -0.33 -0.87 0.00 0.00 176.83 176.05 2jyq h GLU 16 N 0.33 0.17 -0.07 4.77 5.08 -1.13 -2.87 114.58 120.87 2jyq h GLU 16 Ca 0.10 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jyq h GLU 16 Cb 0.11 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jyq h GLU 16 CO -0.01 0.31 0.06 -0.09 -1.00 0.00 0.00 179.01 178.27 2jyq h ARG 17 N 0.01 0.00 -0.25 2.33 9.65 -1.40 0.20 114.38 124.91 2jyq h ARG 17 Ca 0.04 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.72 2jyq h ARG 17 Cb 0.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2jyq h ARG 17 CO -0.00 0.00 -0.61 -0.07 2.80 0.00 0.00 179.97 182.09 2jyq h LEU 18 N 0.00 0.97 0.00 3.80 3.38 -1.24 -3.27 115.31 118.95 2jyq h LEU 18 Ca 0.03 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2jyq h LEU 18 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2jyq h LEU 18 CO -0.00 1.36 -0.68 -0.07 0.09 0.00 0.00 178.44 179.13 2jyq h LEU 19 N 0.64 0.00 0.00 1.67 3.38 -0.88 -3.14 115.31 116.98 2jyq h LEU 19 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jyq h LEU 19 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jyq h LEU 19 CO 0.13 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.88 2jyq n LEU 20 N -2.54 0.00 -4.55 1.67 7.99 0.50 -4.66 117.00 115.41 2jyq n LEU 20 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.60 2jyq n LEU 20 Cb 0.51 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.75 2jyq n LEU 20 CO 0.37 0.00 0.38 0.21 -1.51 0.00 0.00 177.39 176.85 2jyq s ASN 21 N -1.29 6.39 0.00 -1.43 3.84 -1.19 -4.94 114.94 116.32 2jyq s ASN 21 Ca 0.08 -0.03 0.01 0.00 0.21 0.00 0.00 52.86 53.13 2jyq s ASN 21 Cb 0.04 -2.32 0.06 0.00 -0.55 0.00 0.00 41.25 38.48 2jyq s ASN 21 CO 0.07 -0.66 0.73 -0.81 -2.79 0.00 0.00 177.10 173.63 2jyq n PRO 22 N 6.13 0.68 0.00 0.43 -0.04 -1.26 -1.82 135.00 139.12 2jyq n PRO 22 Ca -0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2jyq n PRO 22 Cb 0.48 -1.02 0.13 0.00 -0.04 0.00 0.00 33.50 33.05 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 -0.52 0.02 -3.37 0.54 1.02 -1.26 -4.82 120.64 112.24 2jyq n GLU 23 Ca 0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 2jyq n GLU 23 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 2jyq n GLU 23 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jyq s ASN 24 N -3.06 6.75 0.86 1.62 0.01 -0.76 -5.07 114.94 115.29 2jyq s ASN 24 Ca 0.10 0.89 -0.10 0.00 -0.71 0.00 0.00 52.86 53.04 2jyq s ASN 24 Cb 0.17 -2.28 0.11 0.00 0.41 0.00 0.00 41.25 39.66 2jyq s ASN 24 CO 0.75 0.12 1.11 -2.84 -1.51 0.00 0.00 177.10 174.74 2jyq s PRO 25 N -0.03 1.48 -0.12 -0.60 0.02 -1.26 -4.95 135.00 129.54 2jyq s PRO 25 Ca 0.25 1.29 -0.29 0.00 0.02 0.00 0.00 61.00 62.26 2jyq s PRO 25 Cb -0.16 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2jyq s PRO 25 CO 0.12 -2.22 1.41 0.50 -0.33 0.00 0.00 177.00 176.47 2jyq s ARG 26 N -4.78 4.22 0.00 5.54 3.52 -1.26 -2.64 118.95 123.54 2jyq s ARG 26 Ca 0.64 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 2jyq s ARG 26 Cb -0.20 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 2jyq s ARG 26 CO 0.57 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 2jyq n GLY 27 N 3.80 1.10 3.64 8.12 0.00 -0.70 -4.94 105.19 116.21 2jyq n GLY 27 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 4.01 0.29 2.61 2.01 -1.08 -2.90 115.64 118.57 2jyq s THR 28 Ca 0.00 1.18 0.11 0.00 0.31 0.00 0.00 61.69 63.28 2jyq s THR 28 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2jyq s THR 28 CO 0.00 -0.27 -0.16 0.72 -0.69 0.00 0.00 174.62 174.22 2jyq s PHE 29 N 4.25 2.22 -0.28 4.92 -0.71 -0.84 -0.63 117.98 126.91 2jyq s PHE 29 Ca 0.61 -0.42 -0.21 0.00 -1.04 0.00 0.00 56.93 55.88 2jyq s PHE 29 Cb -0.22 -1.07 0.12 0.00 -1.21 0.00 0.00 43.02 40.64 2jyq s PHE 29 CO 0.23 0.61 0.92 -0.48 -1.34 0.00 0.00 175.22 175.16 2jyq s LEU 30 N -3.51 -0.59 -0.23 -1.99 2.34 0.09 -0.57 118.68 114.22 2jyq s LEU 30 Ca 0.30 1.03 -0.11 0.00 0.06 0.00 0.00 54.13 55.40 2jyq s LEU 30 Cb -0.02 1.99 -0.05 0.00 -0.56 0.00 0.00 46.19 47.55 2jyq s LEU 30 CO 0.14 -0.17 0.18 0.54 -1.06 0.00 0.00 176.35 175.98 2jyq s VAL 31 N 0.85 5.35 0.07 1.48 0.11 -0.41 -1.01 120.40 126.84 2jyq s VAL 31 Ca -0.03 0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 2jyq s VAL 31 Cb -0.05 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2jyq s VAL 31 CO -0.11 0.34 -0.09 0.00 -3.33 0.00 0.00 175.10 171.92 2jyq s ARG 32 N 1.04 2.26 -0.06 1.54 1.70 0.15 -2.07 118.95 123.53 2jyq s ARG 32 Ca 0.09 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 2jyq s ARG 32 Cb -0.13 -2.37 -0.05 0.00 -0.57 0.00 0.00 34.95 31.83 2jyq s ARG 32 CO 0.04 0.54 1.63 -1.21 -1.08 0.00 0.00 175.30 175.22 2jyq s GLU 33 N -1.97 4.18 -1.17 3.89 2.02 0.43 -1.04 118.70 125.05 2jyq s GLU 33 Ca 0.20 2.17 -0.19 0.00 0.02 0.00 0.00 54.97 57.17 2jyq s GLU 33 Cb -0.11 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.11 2jyq s GLU 33 CO 0.12 -0.84 1.96 0.45 0.02 0.00 0.00 175.26 176.97 2jyq n SER 34 N 7.08 3.59 -2.88 -0.19 2.88 -1.23 -3.90 113.62 118.98 2jyq n SER 34 Ca 0.17 -2.78 -0.21 0.00 -1.33 0.00 0.00 58.87 54.72 2jyq n SER 34 Cb 0.43 -1.55 0.01 0.00 -0.75 0.00 0.00 64.21 62.35 2jyq n SER 34 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jyq n GLU 35 N 7.42 -3.66 -3.60 -1.46 4.71 -1.26 -1.34 120.64 121.45 2jyq n GLU 35 Ca 0.49 0.82 -0.27 0.00 -0.01 0.00 0.00 57.16 58.19 2jyq n GLU 35 Cb 0.43 -5.59 0.03 0.00 -1.01 0.00 0.00 31.44 25.30 2jyq n GLU 35 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2jyq n THR 36 N -4.18 -1.91 -2.53 2.62 -1.04 -1.25 -4.93 114.28 101.06 2jyq n THR 36 Ca -0.13 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 2jyq n THR 36 Cb 0.62 -2.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.22 2jyq n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jyq s THR 37 N -3.20 3.87 0.09 12.58 2.01 -0.45 -4.98 115.64 125.56 2jyq s THR 37 Ca 0.54 0.69 -0.31 0.00 0.31 0.00 0.00 61.69 62.92 2jyq s THR 37 Cb -0.26 -4.73 -0.09 0.00 0.01 0.00 0.00 72.50 67.43 2jyq s THR 37 CO 0.66 -1.47 1.81 -0.54 -0.69 0.00 0.00 174.62 174.40 2jyq s LYS 38 N 5.35 4.15 0.00 4.92 1.02 -1.26 -1.56 119.74 132.36 2jyq s LYS 38 Ca 0.42 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.95 2jyq s LYS 38 Cb -0.08 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 2jyq s LYS 38 CO 0.22 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.22 2jyq n GLY 39 N 4.24 0.59 2.69 -3.33 0.00 -1.26 -5.00 105.19 103.12 2jyq n GLY 39 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.03 4.61 0.00 -0.60 -1.45 121.76 122.30 2jyq s ALA 40 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2jyq s ALA 40 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 2jyq s ALA 40 CO 0.00 -1.29 -0.23 0.71 0.00 0.00 0.00 175.76 174.95 2jyq s TYR 41 N 2.25 2.43 -0.50 0.00 2.02 -0.75 -3.52 117.35 119.28 2jyq s TYR 41 Ca 0.06 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 2jyq s TYR 41 Cb -0.16 -1.54 0.07 0.00 -0.40 0.00 0.00 41.96 39.94 2jyq s TYR 41 CO -0.15 0.01 0.50 0.00 -1.57 0.00 0.00 175.55 174.34 2jyq s LEU 43 N 2.05 3.48 -0.07 0.00 1.98 -0.30 -0.67 118.68 125.16 2jyq s LEU 43 Ca 0.08 -0.83 -0.15 0.00 -2.89 0.00 0.00 54.13 50.34 2jyq s LEU 43 Cb -0.23 -2.54 -0.05 0.00 0.66 0.00 0.00 46.19 44.03 2jyq s LEU 43 CO 0.08 -1.68 0.40 -0.55 -1.89 0.00 0.00 176.35 172.71 2jyq s SER 44 N 4.03 6.68 0.00 3.68 0.15 -0.18 -0.90 113.70 127.16 2jyq s SER 44 Ca 0.36 0.81 0.03 0.00 0.70 0.00 0.00 55.95 57.84 2jyq s SER 44 Cb -0.07 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2jyq s SER 44 CO 0.07 0.18 -0.09 0.54 1.20 0.00 0.00 173.24 175.14 2jyq s VAL 45 N -0.21 0.72 -0.33 4.45 0.11 -0.67 -0.73 120.40 123.75 2jyq s VAL 45 Ca 0.23 -0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 2jyq s VAL 45 Cb -0.15 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2jyq s VAL 45 CO 0.10 0.13 1.17 -0.94 -3.33 0.00 0.00 175.10 172.23 2jyq s SER 46 N -0.41 6.80 -0.05 3.54 1.04 0.19 -1.74 113.70 123.08 2jyq s SER 46 Ca 0.02 1.05 -0.13 0.00 0.48 0.00 0.00 55.95 57.38 2jyq s SER 46 Cb -0.04 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2jyq s SER 46 CO -0.00 -1.00 0.33 -0.62 0.98 0.00 0.00 173.24 172.93 2jyq s ASP 47 N 2.18 6.66 -0.15 7.02 2.15 0.15 -1.72 116.67 132.97 2jyq s ASP 47 Ca 0.50 0.79 -0.03 0.00 0.43 0.00 0.00 52.55 54.24 2jyq s ASP 47 Cb -0.13 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 2jyq s ASP 47 CO 0.20 0.33 -0.05 0.12 -0.17 0.00 0.00 175.17 175.60 2jyq s PHE 48 N -0.94 2.99 0.03 -5.34 5.36 -1.26 -0.36 117.98 118.46 2jyq s PHE 48 Ca 0.21 -0.35 0.07 0.00 -0.96 0.00 0.00 56.93 55.91 2jyq s PHE 48 Cb -0.15 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2jyq s PHE 48 CO 0.10 -0.05 -0.21 0.34 -1.46 0.00 0.00 175.22 173.93 2jyq s ASP 49 N 0.34 2.53 0.00 6.13 -1.08 0.12 -4.96 116.67 119.75 2jyq s ASP 49 Ca -0.05 -0.50 0.26 0.00 -0.52 0.00 0.00 52.55 51.73 2jyq s ASP 49 Cb -0.14 -0.22 0.67 0.00 -1.46 0.00 0.00 42.92 41.76 2jyq s ASP 49 CO 0.03 0.19 1.52 -3.20 0.52 0.00 0.00 175.17 174.23 2jyq n ASN 50 N 1.96 0.60 -0.07 -0.34 5.15 -1.26 -1.41 115.26 119.89 2jyq n ASN 50 Ca -0.17 -0.38 -0.13 0.00 -0.60 0.00 0.00 54.58 53.30 2jyq n ASN 50 Cb 0.53 0.15 -0.06 0.00 -0.53 0.00 0.00 39.78 39.87 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jyq n ALA 51 N -1.25 1.86 0.04 5.20 0.00 -1.26 -4.75 120.51 120.36 2jyq n ALA 51 Ca 0.08 -0.60 -0.18 0.00 0.00 0.00 0.00 53.44 52.73 2jyq n ALA 51 Cb 0.33 0.24 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.28 0.26 0.00 0.00 1.57 -1.99 -3.50 116.57 112.63 2jyq h LYS 52 Ca -0.35 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 57.98 2jyq h LYS 52 Cb 1.41 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.89 2jyq h LYS 52 CO -0.14 1.12 0.00 0.41 -0.57 0.00 0.00 179.45 180.26 2jyq n GLY 53 N 1.78 1.64 3.16 3.86 0.00 -0.50 -4.98 105.19 110.14 2jyq n GLY 53 Ca -0.22 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 2.22 0.05 0.99 1.43 -1.26 0.14 118.68 122.25 2jyq s LEU 54 Ca 0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2jyq s LEU 54 Cb 0.00 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 2jyq s LEU 54 CO 0.00 -0.01 -0.09 0.20 0.23 0.00 0.00 176.35 176.68 2jyq s ASN 55 N -1.41 1.05 -0.30 2.29 0.01 0.51 -4.91 114.94 112.18 2jyq s ASN 55 Ca 0.00 -0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 51.53 2jyq s ASN 55 Cb -0.09 0.01 0.01 0.00 0.41 0.00 0.00 41.25 41.59 2jyq s ASN 55 CO 0.02 -0.16 0.09 -0.69 -1.51 0.00 0.00 177.10 174.85 2jyq s VAL 56 N -1.30 4.06 -0.46 1.60 1.01 -1.26 0.33 120.40 124.39 2jyq s VAL 56 Ca -0.08 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2jyq s VAL 56 Cb -0.10 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.23 2jyq s VAL 56 CO 0.01 0.07 0.53 -0.54 0.00 0.00 0.00 175.10 175.16 2jyq s LYS 57 N 1.51 3.12 -0.97 2.72 1.02 -0.71 -4.95 119.74 121.49 2jyq s LYS 57 Ca 0.03 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 55.04 2jyq s LYS 57 Cb -0.17 -4.02 0.13 0.00 -0.52 0.00 0.00 37.83 33.25 2jyq s LYS 57 CO 0.03 -1.01 1.19 -1.01 -0.92 0.00 0.00 175.35 173.63 2jyq s HIS 58 N 2.36 3.11 -0.94 3.18 3.76 -1.26 -1.66 115.29 123.84 2jyq s HIS 58 Ca 0.14 -1.43 -0.24 0.00 -0.15 0.00 0.00 55.06 53.38 2jyq s HIS 58 Cb -0.18 -4.32 0.03 0.00 1.11 0.00 0.00 32.58 29.22 2jyq s HIS 58 CO 0.13 -1.52 1.51 0.71 -0.85 0.00 0.00 174.74 174.73 2jyq s TYR 59 N 2.76 2.34 0.03 1.40 2.02 -0.08 -4.87 117.35 120.95 2jyq s TYR 59 Ca 0.35 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 2jyq s TYR 59 Cb -0.04 -4.57 -0.06 0.00 -0.40 0.00 0.00 41.96 36.89 2jyq s TYR 59 CO -0.08 -1.95 1.35 -1.59 -1.57 0.00 0.00 175.55 171.70 2jyq s LYS 60 N 5.49 4.32 -0.19 -0.62 -2.85 -1.26 -1.14 119.74 123.49 2jyq s LYS 60 Ca 0.48 1.93 -0.14 0.00 -1.00 0.00 0.00 55.97 57.24 2jyq s LYS 60 Cb -0.03 -3.47 -0.04 0.00 -2.06 0.00 0.00 37.83 32.22 2jyq s LYS 60 CO -0.03 -0.49 0.31 0.42 0.10 0.00 0.00 175.35 175.66 2jyq s ILE 61 N 1.93 5.28 -0.09 3.79 1.01 0.27 -4.79 121.20 128.59 2jyq s ILE 61 Ca 0.62 0.55 -0.07 0.00 0.00 0.00 0.00 60.65 61.75 2jyq s ILE 61 Cb -0.32 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2jyq s ILE 61 CO 0.27 0.33 0.17 -0.60 0.00 0.00 0.00 174.94 175.12 2jyq s ARG 62 N 0.86 3.49 -0.12 2.79 6.06 -0.89 -1.82 118.95 129.32 2jyq s ARG 62 Ca 0.16 -0.10 -0.23 0.00 -2.50 0.00 0.00 55.73 53.06 2jyq s ARG 62 Cb -0.14 -3.18 -0.03 0.00 0.06 0.00 0.00 34.95 31.67 2jyq s ARG 62 CO 0.05 0.76 0.68 0.21 -2.50 0.00 0.00 175.30 174.50 2jyq s LYS 63 N -1.16 4.36 -0.04 5.12 2.20 -0.53 -2.31 119.74 127.38 2jyq s LYS 63 Ca 0.18 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 2jyq s LYS 63 Cb -0.13 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 2jyq s LYS 63 CO 0.07 -0.05 1.19 -1.17 -0.36 0.00 0.00 175.35 175.02 2jyq s LEU 64 N 1.23 4.29 0.51 5.43 2.96 0.16 -4.90 118.68 128.37 2jyq s LEU 64 Ca 0.35 1.83 0.17 0.00 -0.22 0.00 0.00 54.13 56.25 2jyq s LEU 64 Cb -0.17 -3.56 1.28 0.00 0.50 0.00 0.00 46.19 44.24 2jyq s LEU 64 CO 0.15 -0.56 2.13 -0.78 -1.32 0.00 0.00 176.35 175.97 2jyq h ASP 65 N 7.35 0.00 0.09 3.68 3.58 -1.96 -2.97 116.42 126.20 2jyq h ASP 65 Ca -0.35 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 56.87 2jyq h ASP 65 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 2jyq h ASP 65 CO 0.87 0.04 -1.15 0.28 -2.88 0.00 0.00 179.24 176.40 2jyq h SER 66 N 0.00 0.29 0.00 2.28 0.02 -2.04 -3.48 113.55 110.63 2jyq h SER 66 Ca -0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2jyq h SER 66 Cb 0.07 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2jyq h SER 66 CO 0.00 1.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.80 2jyq n GLY 67 N 1.67 1.30 0.00 -3.77 0.00 -1.12 -5.16 105.19 98.12 2jyq n GLY 67 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 4.99 1.62 3.13 -0.02 0.00 -1.12 -4.69 105.19 109.11 2jyq n GLY 68 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 1.11 0.98 -0.27 1.61 0.08 0.31 0.38 117.98 122.18 2jyq s PHE 69 Ca 0.00 -0.49 -0.25 0.00 0.12 0.00 0.00 56.93 56.31 2jyq s PHE 69 Cb 0.00 -0.56 0.08 0.00 -0.57 0.00 0.00 43.02 41.97 2jyq s PHE 69 CO 0.00 -0.01 0.77 1.52 -0.10 0.00 0.00 175.22 177.40 2jyq s TYR 70 N -1.41 -0.74 -0.04 0.36 1.13 -0.98 -0.78 117.35 114.90 2jyq s TYR 70 Ca -0.05 1.80 0.12 0.00 -1.41 0.00 0.00 57.07 57.53 2jyq s TYR 70 Cb -0.09 0.29 -0.14 0.00 -1.10 0.00 0.00 41.96 40.91 2jyq s TYR 70 CO 0.01 -0.36 1.04 0.82 -2.51 0.00 0.00 175.55 174.56 2jyq h ILE 71 N 3.92 1.02 -2.94 -3.49 2.04 -1.86 -2.36 117.51 113.84 2jyq h ILE 71 Ca -0.29 -2.65 -0.11 0.00 1.00 0.00 0.00 64.86 62.82 2jyq h ILE 71 Cb 1.16 2.46 -0.19 0.00 -0.74 0.00 0.00 36.82 39.50 2jyq h ILE 71 CO 0.06 0.58 -0.21 0.28 0.00 0.00 0.00 178.15 178.87 2jyq s THR 72 N -2.78 0.05 -1.33 -0.27 -1.32 -1.26 -4.83 115.64 103.90 2jyq s THR 72 Ca -0.01 -0.44 -0.09 0.00 -1.21 0.00 0.00 61.69 59.94 2jyq s THR 72 Cb 0.09 -0.72 -0.10 0.00 -1.51 0.00 0.00 72.50 70.26 2jyq s THR 72 CO 0.80 -0.24 2.87 -1.20 -2.21 0.00 0.00 174.62 174.64 2jyq n SER 73 N 1.10 7.69 0.00 8.08 7.64 -1.26 -2.98 113.62 133.88 2jyq n SER 73 Ca -0.21 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.16 2jyq n SER 73 Cb 0.57 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2jyq n SER 73 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jyq n ARG 74 N 3.57 0.68 -3.75 1.43 1.85 -1.26 -5.07 116.66 114.11 2jyq n ARG 74 Ca 0.69 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 57.35 2jyq n ARG 74 Cb 0.28 -0.44 -0.17 0.00 -1.05 0.00 0.00 32.46 31.08 2jyq n ARG 74 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jyq s THR 75 N -0.87 -0.00 0.04 8.89 2.01 -1.16 -5.15 115.64 119.39 2jyq s THR 75 Ca 0.00 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.35 2jyq s THR 75 Cb 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 2jyq s THR 75 CO 0.00 0.16 -0.19 -1.10 -0.69 0.00 0.00 174.62 172.80 2jyq s GLN 76 N 1.65 1.28 0.42 4.92 -0.21 -1.26 -4.44 119.66 122.01 2jyq s GLN 76 Ca -0.01 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.55 2jyq s GLN 76 Cb -0.13 -1.35 -0.02 0.00 1.00 0.00 0.00 33.01 32.52 2jyq s GLN 76 CO -0.03 0.34 0.16 -0.06 -2.12 0.00 0.00 175.29 173.58 2jyq s PHE 77 N -0.77 1.78 -0.18 0.91 0.08 0.04 -5.00 117.98 114.84 2jyq s PHE 77 Ca 0.06 -1.37 -0.00 0.00 0.12 0.00 0.00 56.93 55.74 2jyq s PHE 77 Cb -0.08 -1.11 -0.22 0.00 -0.57 0.00 0.00 43.02 41.03 2jyq s PHE 77 CO 0.01 -0.39 0.11 0.43 -0.10 0.00 0.00 175.22 175.28 2jyq n SER 78 N -1.46 1.85 -4.52 1.36 7.64 -1.26 -0.53 113.62 116.71 2jyq n SER 78 Ca -0.05 0.06 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2jyq n SER 78 Cb 0.64 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 63.24 2jyq n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jyq s SER 79 N -6.66 3.28 0.33 6.43 1.04 -1.26 -3.93 113.70 112.94 2jyq s SER 79 Ca -0.26 -1.27 0.26 0.00 0.48 0.00 0.00 55.95 55.16 2jyq s SER 79 Cb 0.08 -0.27 0.74 0.00 0.10 0.00 0.00 66.02 66.66 2jyq s SER 79 CO 0.70 -0.37 1.74 -0.07 0.98 0.00 0.00 173.24 176.22 2jyq h LEU 80 N 2.05 0.00 -0.09 2.42 3.38 -1.94 -2.90 115.31 118.23 2jyq h LEU 80 Ca -0.42 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2jyq h LEU 80 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jyq h LEU 80 CO 0.72 0.00 -0.06 -0.61 0.09 0.00 0.00 178.44 178.58 2jyq h GLN 81 N 0.00 0.19 -0.73 1.13 -0.00 -2.00 -2.15 115.11 111.55 2jyq h GLN 81 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2jyq h GLN 81 Cb 0.75 -0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.20 2jyq h GLN 81 CO 0.00 0.58 0.42 1.96 0.00 0.00 0.00 178.83 181.79 2jyq h GLN 82 N -0.19 1.00 0.15 1.69 4.20 -1.97 -2.03 115.11 117.96 2jyq h GLN 82 Ca 0.02 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jyq h GLN 82 Cb 0.53 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2jyq h GLN 82 CO 0.02 0.72 -0.18 1.25 -0.67 0.00 0.00 178.83 179.96 2jyq h LEU 83 N 1.01 -0.50 -0.62 1.46 7.12 -1.33 -1.31 115.31 121.14 2jyq h LEU 83 Ca 0.26 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 2jyq h LEU 83 Cb -0.01 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.26 2jyq h LEU 83 CO -0.05 -0.23 0.35 -0.37 -0.13 0.00 0.00 178.44 178.02 2jyq h VAL 84 N -0.33 1.19 -0.83 1.05 -1.51 -1.37 -0.20 116.25 114.26 2jyq h VAL 84 Ca -0.02 -0.47 0.07 0.00 -1.23 0.00 0.00 66.70 65.06 2jyq h VAL 84 Cb 0.30 0.38 -0.06 0.00 -2.13 0.00 0.00 31.29 29.77 2jyq h VAL 84 CO -0.04 0.21 0.50 0.00 -1.23 0.00 0.00 177.57 177.00 2jyq h ALA 85 N 1.17 1.15 0.23 5.19 0.00 -1.34 -0.32 119.26 125.33 2jyq h ALA 85 Ca 0.22 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.79 2jyq h ALA 85 Cb 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.65 2jyq h ALA 85 CO -0.04 0.20 -1.59 -0.92 0.00 0.00 0.00 179.25 176.90 2jyq h TYR 86 N 0.89 0.88 0.00 0.00 3.20 -0.90 -3.26 116.97 117.77 2jyq h TYR 86 Ca 0.37 -0.64 0.00 0.00 3.14 0.00 0.00 58.73 61.60 2jyq h TYR 86 Cb 0.23 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2jyq h TYR 86 CO -0.04 1.62 0.00 0.66 -1.64 0.00 0.00 178.16 178.75 2jyq n TYR 87 N -3.67 0.00 0.14 -3.82 4.02 -0.11 -0.07 117.16 113.64 2jyq n TYR 87 Ca -0.20 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.70 2jyq n TYR 87 Cb 1.09 -0.23 0.12 0.00 -0.02 0.00 0.00 39.34 40.30 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 0.00 0.00 7.72 0.87 -1.09 -1.13 113.55 119.91 2jyq h SER 88 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 2jyq h SER 88 Cb 0.17 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 2jyq h SER 88 CO 0.00 0.55 -2.40 1.17 -0.53 0.00 0.00 176.83 175.62 2jyq n LYS 89 N -3.38 0.55 -3.86 2.24 3.00 -0.30 -4.43 118.16 111.98 2jyq n LYS 89 Ca 0.01 0.21 -0.36 0.00 -0.00 0.00 0.00 58.31 58.17 2jyq n LYS 89 Cb 0.68 -1.41 -0.13 0.00 0.00 0.00 0.00 35.03 34.17 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2jyq s HIS 90 N -2.46 3.27 0.25 5.64 2.46 0.89 -4.98 115.29 120.36 2jyq s HIS 90 Ca -0.34 -1.76 -0.05 0.00 0.47 0.00 0.00 55.06 53.37 2jyq s HIS 90 Cb 0.12 -2.20 0.28 0.00 -0.13 0.00 0.00 32.58 30.66 2jyq s HIS 90 CO 0.47 -0.79 1.91 0.00 -2.47 0.00 0.00 174.74 173.86 2jyq h ALA 91 N 8.06 1.26 -0.51 1.58 0.00 -1.83 -3.32 119.26 124.50 2jyq h ALA 91 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jyq h ALA 91 Cb 1.07 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jyq h ALA 91 CO 0.56 0.65 0.00 -3.47 0.00 0.00 0.00 179.25 176.98 2jyq n ASP 92 N -4.37 0.00 -0.08 0.00 2.03 -1.26 -2.00 116.55 110.87 2jyq n ASP 92 Ca 0.11 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.31 2jyq n ASP 92 Cb 0.05 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.36 2jyq n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jyq n GLY 93 N 0.00 -0.37 3.77 0.27 0.00 -1.26 -4.99 105.19 102.60 2jyq n GLY 93 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -5.77 4.01 0.46 0.99 1.02 -0.84 -4.92 118.68 113.63 2jyq s LEU 94 Ca -0.19 2.46 0.28 0.00 0.02 0.00 0.00 54.13 56.69 2jyq s LEU 94 Cb 0.06 -4.20 0.85 0.00 0.02 0.00 0.00 46.19 42.92 2jyq s LEU 94 CO 0.46 -1.05 1.79 0.00 0.02 0.00 0.00 176.35 177.57 2jyq s HIS 96 N -3.40 1.64 0.61 0.00 3.76 -1.26 -5.11 115.29 111.53 2jyq s HIS 96 Ca 0.05 -0.73 -0.17 0.00 -0.15 0.00 0.00 55.06 54.06 2jyq s HIS 96 Cb 0.07 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.50 2jyq s HIS 96 CO 0.59 -0.42 1.12 -0.98 -0.85 0.00 0.00 174.74 174.20 2jyq s ARG 97 N 1.09 3.01 -0.82 1.40 1.70 -1.26 -4.91 118.95 119.16 2jyq s ARG 97 Ca -0.06 1.47 -0.25 0.00 -0.47 0.00 0.00 55.73 56.42 2jyq s ARG 97 Cb -0.14 -1.97 -0.00 0.00 -0.57 0.00 0.00 34.95 32.26 2jyq s ARG 97 CO -0.02 -1.10 1.66 -0.51 -1.08 0.00 0.00 175.30 174.26 2jyq s LEU 98 N -4.46 3.28 0.00 -1.89 1.43 -0.43 -4.77 118.68 111.84 2jyq s LEU 98 Ca 0.69 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2jyq s LEU 98 Cb -0.22 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.45 2jyq s LEU 98 CO 0.36 -2.16 0.00 0.35 0.23 0.00 0.00 176.35 175.13 2jyq n THR 99 N 7.14 0.00 -4.41 5.49 -2.24 -1.14 -4.12 114.28 114.99 2jyq n THR 99 Ca 0.25 0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.80 2jyq n THR 99 Cb 0.50 -0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 2jyq n THR 99 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jyq s ASN 100 N -1.44 4.61 0.06 3.42 2.20 -1.25 -5.03 114.94 117.50 2jyq s ASN 100 Ca 0.00 -0.18 -0.21 0.00 -0.94 0.00 0.00 52.86 51.54 2jyq s ASN 100 Cb 0.00 -1.05 -0.06 0.00 -2.00 0.00 0.00 41.25 38.13 2jyq s ASN 100 CO 0.00 0.26 0.61 -0.69 -2.94 0.00 0.00 177.10 174.34 2jyq s VAL 101 N -1.04 4.75 0.03 3.54 1.01 -1.26 -1.99 120.40 125.45 2jyq s VAL 101 Ca 0.18 1.30 -0.34 0.00 0.00 0.00 0.00 61.98 63.12 2jyq s VAL 101 Cb -0.11 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 2jyq s VAL 101 CO 0.09 0.50 1.76 0.00 0.00 0.00 0.00 175.10 177.45 2jyq s PRO 103 N 2.74 4.40 0.58 0.00 0.04 -1.26 -4.97 135.00 136.53 2jyq s PRO 103 Ca 0.86 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.71 2jyq s PRO 103 Cb -0.66 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2jyq s PRO 103 CO 0.45 -0.25 1.19 -0.08 0.04 0.00 0.00 177.00 178.34 2jyq s THR 104 N 0.34 2.78 -0.21 1.26 -1.32 -1.26 -4.99 115.64 112.25 2jyq s THR 104 Ca 0.57 0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 61.47 2jyq s THR 104 Cb -0.35 -3.20 -0.04 0.00 -1.51 0.00 0.00 72.50 67.40 2jyq s THR 104 CO 0.36 -0.11 0.07 -0.44 -2.21 0.00 0.00 174.62 172.29 2jyq s SER 105 N -1.64 5.47 0.00 8.08 0.01 -1.26 -5.28 113.70 119.07 2jyq s SER 105 Ca 0.76 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2jyq s SER 105 Cb -0.28 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2jyq s SER 105 CO 0.31 0.10 0.00 1.17 0.41 0.00 0.00 173.24 175.23