#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 0.39 -0.70 2.61 0.00 -1.26 -4.17 121.76 118.63 2jyq s ALA 2 Ca 0.00 -1.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.01 2jyq s ALA 2 Cb 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.30 2jyq s ALA 2 CO 0.00 -2.08 1.32 -1.21 0.00 0.00 0.00 175.76 173.79 2jyq s GLU 3 N 0.77 3.20 0.00 0.00 0.41 0.32 -4.79 118.70 118.61 2jyq s GLU 3 Ca 0.25 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.74 2jyq s GLU 3 Cb -0.09 -4.17 0.00 0.00 -1.78 0.00 0.00 34.13 28.09 2jyq s GLU 3 CO -0.08 -2.12 0.00 0.39 -0.49 0.00 0.00 175.26 172.96 2jyq n GLU 4 N 9.20 0.00 0.08 1.61 -0.58 -1.26 0.23 120.64 129.91 2jyq n GLU 4 Ca 0.06 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.66 2jyq n GLU 4 Cb 0.49 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.30 2jyq n GLU 4 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 2jyq h TRP 5 N 0.00 0.58 -2.91 -0.32 5.08 -1.94 -3.41 115.95 113.03 2jyq h TRP 5 Ca 0.00 -0.34 -0.70 0.00 1.08 0.00 0.00 58.89 58.93 2jyq h TRP 5 Cb 0.00 -0.06 -0.20 0.00 -3.00 0.00 0.00 29.16 25.90 2jyq h TRP 5 CO 0.00 1.18 0.10 -0.47 -1.28 0.00 0.00 178.44 177.97 2jyq s TYR 6 N -3.13 3.00 -2.04 0.12 5.04 0.14 -0.51 117.35 119.96 2jyq s TYR 6 Ca -0.05 -0.98 0.12 0.00 -2.44 0.00 0.00 57.07 53.72 2jyq s TYR 6 Cb 0.08 -4.01 0.37 0.00 0.35 0.00 0.00 41.96 38.76 2jyq s TYR 6 CO 0.87 -1.29 1.30 1.19 -1.34 0.00 0.00 175.55 176.28 2jyq n PHE 7 N 6.29 0.40 -3.20 4.97 3.72 -0.76 -0.52 117.46 128.37 2jyq n PHE 7 Ca -0.10 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 2jyq n PHE 7 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 1.04 0.10 2.96 1.37 0.00 -1.26 -4.39 105.19 105.00 2jyq n GLY 8 Ca 0.12 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 5.08 4.60 -3.33 1.61 5.02 -1.26 0.04 118.16 129.90 2jyq n LYS 9 Ca 0.00 -4.57 -0.38 0.00 -2.02 0.00 0.00 58.31 51.33 2jyq n LYS 9 Cb 0.00 -2.50 -0.06 0.00 -0.02 0.00 0.00 35.03 32.45 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 -2.99 4.93 0.85 -0.18 -4.36 -1.26 -4.95 121.20 113.23 2jyq s ILE 10 Ca 0.32 1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 61.66 2jyq s ILE 10 Cb 0.07 -3.84 0.10 0.00 1.25 0.00 0.00 42.46 40.04 2jyq s ILE 10 CO 0.08 0.50 1.10 0.42 0.24 0.00 0.00 174.94 177.28 2jyq s THR 11 N -0.64 2.73 0.30 8.37 -4.23 -1.26 -4.76 115.64 116.16 2jyq s THR 11 Ca 0.27 0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2jyq s THR 11 Cb -0.18 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.01 2jyq s THR 11 CO 0.16 -0.31 1.96 0.08 -0.54 0.00 0.00 174.62 175.96 2jyq h ARG 12 N -1.32 1.02 -0.61 3.99 -0.00 -1.99 -0.98 114.38 114.50 2jyq h ARG 12 Ca -0.49 -0.08 -0.09 0.00 -0.00 0.00 0.00 59.98 59.32 2jyq h ARG 12 Cb 1.29 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.97 31.01 2jyq h ARG 12 CO 0.58 0.70 0.02 -0.09 -0.00 0.00 0.00 179.97 181.19 2jyq h ARG 13 N 1.05 1.06 -0.33 0.08 9.65 -1.98 -0.35 114.38 123.56 2jyq h ARG 13 Ca 0.28 -0.33 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 2jyq h ARG 13 Cb -0.07 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 2jyq h ARG 13 CO -0.06 1.03 0.12 0.93 2.80 0.00 0.00 179.97 184.79 2jyq h GLU 14 N 0.96 0.50 -0.10 0.20 5.08 -1.70 0.60 114.58 120.11 2jyq h GLU 14 Ca 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jyq h GLU 14 Cb 0.54 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jyq h GLU 14 CO 0.03 0.51 0.05 1.03 -1.00 0.00 0.00 179.01 179.63 2jyq h SER 15 N 0.38 0.13 0.08 1.42 0.87 -0.94 -2.76 113.55 112.72 2jyq h SER 15 Ca 0.11 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 2jyq h SER 15 Cb 0.21 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2jyq h SER 15 CO -0.01 0.19 -0.32 -0.33 -0.53 0.00 0.00 176.83 175.83 2jyq h GLU 16 N 0.05 0.36 -0.17 2.24 5.08 -1.02 -1.15 114.58 119.97 2jyq h GLU 16 Ca 0.03 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2jyq h GLU 16 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jyq h GLU 16 CO -0.01 0.65 0.13 -0.09 -1.00 0.00 0.00 179.01 178.69 2jyq h ARG 17 N 0.31 0.00 0.13 2.33 9.65 -0.59 0.21 114.38 126.42 2jyq h ARG 17 Ca 0.04 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.57 2jyq h ARG 17 Cb 0.73 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 2jyq h ARG 17 CO 0.06 0.00 -1.90 -0.07 2.80 0.00 0.00 179.97 180.85 2jyq h LEU 18 N 0.00 0.43 -0.77 3.80 3.38 -1.20 -3.38 115.31 117.57 2jyq h LEU 18 Ca 0.08 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 2jyq h LEU 18 Cb 0.34 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jyq h LEU 18 CO -0.00 1.76 -0.00 -0.07 0.09 0.00 0.00 178.44 180.21 2jyq h LEU 19 N 0.07 0.00 -0.88 1.67 3.38 -0.35 -2.83 115.31 116.38 2jyq h LEU 19 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jyq h LEU 19 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2jyq h LEU 19 CO 0.11 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.83 2jyq n LEU 20 N -3.10 1.15 -4.63 1.67 7.99 0.66 -4.81 117.00 115.93 2jyq n LEU 20 Ca 0.02 -0.58 -0.43 0.00 -0.01 0.00 0.00 56.01 55.02 2jyq n LEU 20 Cb 0.41 -0.28 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 2jyq n LEU 20 CO 0.30 0.23 1.64 0.21 -1.51 0.00 0.00 177.39 178.26 2jyq s ASN 21 N -0.61 6.06 0.00 -1.43 2.47 -1.07 -4.84 114.94 115.52 2jyq s ASN 21 Ca 0.08 2.12 0.04 0.00 0.42 0.00 0.00 52.86 55.53 2jyq s ASN 21 Cb 0.05 -2.52 0.25 0.00 -1.45 0.00 0.00 41.25 37.58 2jyq s ASN 21 CO 0.04 -1.44 0.75 -2.65 -3.72 0.00 0.00 177.10 170.08 2jyq n PRO 22 N 8.02 0.13 -0.02 0.43 -0.02 -1.26 -0.61 135.00 141.66 2jyq n PRO 22 Ca 0.23 0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.78 2jyq n PRO 22 Cb 0.44 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.47 2jyq n PRO 22 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2jyq n GLU 23 N -1.02 0.71 -2.05 -0.52 1.02 -1.26 -5.00 120.64 112.52 2jyq n GLU 23 Ca 0.03 -1.20 -0.42 0.00 -0.02 0.00 0.00 57.16 55.55 2jyq n GLU 23 Cb 0.02 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.81 6.70 0.36 1.62 0.01 0.22 -4.98 114.94 118.06 2jyq s ASN 24 Ca 0.12 2.44 -0.27 0.00 -0.71 0.00 0.00 52.86 54.45 2jyq s ASN 24 Cb 0.08 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 39.07 2jyq s ASN 24 CO 0.12 -0.76 1.18 -2.84 -1.51 0.00 0.00 177.10 173.29 2jyq s PRO 25 N 1.50 4.24 -0.26 -0.60 0.02 -1.26 -4.94 135.00 133.70 2jyq s PRO 25 Ca 0.68 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 63.32 2jyq s PRO 25 Cb -0.39 -2.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2jyq s PRO 25 CO 0.31 -0.18 1.95 0.50 -0.33 0.00 0.00 177.00 179.24 2jyq s ARG 26 N -2.02 3.34 0.00 5.54 3.52 -1.26 -1.75 118.95 126.32 2jyq s ARG 26 Ca 0.53 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 2jyq s ARG 26 Cb -0.33 -4.25 0.00 0.00 -1.56 0.00 0.00 34.95 28.82 2jyq s ARG 26 CO 0.42 -1.85 0.00 0.41 -0.81 0.00 0.00 175.30 173.47 2jyq n GLY 27 N 5.44 0.40 3.65 8.12 0.00 -0.78 -4.95 105.19 117.05 2jyq n GLY 27 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.31 4.21 0.25 2.61 2.01 -0.71 -2.38 115.64 120.31 2jyq s THR 28 Ca 0.00 1.43 0.09 0.00 0.31 0.00 0.00 61.69 63.52 2jyq s THR 28 Cb 0.00 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2jyq s THR 28 CO 0.00 -0.26 -0.14 0.72 -0.69 0.00 0.00 174.62 174.26 2jyq s PHE 29 N 3.86 1.93 -0.27 4.92 -0.71 -0.26 0.30 117.98 127.74 2jyq s PHE 29 Ca 0.56 -0.54 -0.24 0.00 -1.04 0.00 0.00 56.93 55.66 2jyq s PHE 29 Cb -0.20 -0.94 0.08 0.00 -1.21 0.00 0.00 43.02 40.75 2jyq s PHE 29 CO 0.18 0.43 0.77 -0.48 -1.34 0.00 0.00 175.22 174.78 2jyq s LEU 30 N -3.40 -0.72 -0.20 -1.99 2.34 -0.56 -0.84 118.68 113.30 2jyq s LEU 30 Ca 0.26 1.35 -0.06 0.00 0.06 0.00 0.00 54.13 55.74 2jyq s LEU 30 Cb -0.01 2.36 -0.03 0.00 -0.56 0.00 0.00 46.19 47.95 2jyq s LEU 30 CO 0.10 -0.23 0.03 0.54 -1.06 0.00 0.00 176.35 175.73 2jyq s VAL 31 N 0.49 4.29 0.12 1.48 0.11 0.33 -1.24 120.40 125.98 2jyq s VAL 31 Ca -0.01 -0.20 0.09 0.00 -2.93 0.00 0.00 61.98 58.93 2jyq s VAL 31 Cb -0.05 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 2jyq s VAL 31 CO -0.02 0.42 -0.18 0.00 -3.33 0.00 0.00 175.10 171.99 2jyq s ARG 32 N 0.90 1.79 -0.13 1.54 1.70 0.33 -1.82 118.95 123.26 2jyq s ARG 32 Ca 0.02 -1.18 -0.22 0.00 -0.47 0.00 0.00 55.73 53.89 2jyq s ARG 32 Cb -0.14 -2.12 -0.03 0.00 -0.57 0.00 0.00 34.95 32.09 2jyq s ARG 32 CO 0.02 0.48 0.64 -2.00 -1.08 0.00 0.00 175.30 173.37 2jyq s GLU 33 N -2.15 4.33 -0.47 3.89 2.12 0.11 -0.97 118.70 125.56 2jyq s GLU 33 Ca 0.18 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.94 2jyq s GLU 33 Cb -0.11 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.81 2jyq s GLU 33 CO 0.10 -0.05 1.14 -1.12 -0.54 0.00 0.00 175.26 174.79 2jyq s SER 34 N 0.93 6.64 0.40 -1.70 0.01 -1.25 -4.46 113.70 114.27 2jyq s SER 34 Ca 0.32 0.49 0.21 0.00 1.31 0.00 0.00 55.95 58.28 2jyq s SER 34 Cb -0.16 -2.55 0.74 0.00 0.21 0.00 0.00 66.02 64.26 2jyq s SER 34 CO 0.13 -1.25 1.75 1.05 0.41 0.00 0.00 173.24 175.34 2jyq h GLU 35 N 9.22 0.00 -0.01 12.44 -0.00 -1.95 -2.81 114.58 131.48 2jyq h GLU 35 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.13 2jyq h GLU 35 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.81 2jyq h GLU 35 CO 1.13 0.31 -0.17 0.25 -0.00 0.00 0.00 179.01 180.53 2jyq n THR 36 N -3.45 0.00 -3.26 -1.06 -2.24 -1.26 -4.64 114.28 98.37 2jyq n THR 36 Ca 0.00 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 2jyq n THR 36 Cb 0.49 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.38 -0.74 -0.16 4.28 2.01 -1.06 -5.01 115.64 112.58 2jyq s THR 37 Ca 0.29 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 2jyq s THR 37 Cb 0.20 -0.62 0.12 0.00 0.01 0.00 0.00 72.50 72.21 2jyq s THR 37 CO 0.47 -0.22 1.91 2.29 -0.69 0.00 0.00 174.62 178.38 2jyq n LYS 38 N 4.83 1.40 -0.11 4.92 2.85 -1.24 -2.81 118.16 128.00 2jyq n LYS 38 Ca 0.07 -0.79 0.01 0.00 -1.05 0.00 0.00 58.31 56.55 2jyq n LYS 38 Cb 0.52 -1.31 0.01 0.00 -0.65 0.00 0.00 35.03 33.60 2jyq n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jyq n GLY 39 N 0.81 -0.32 3.61 2.58 0.00 -1.26 -5.07 105.19 105.54 2jyq n GLY 39 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.46 -1.85 0.56 4.61 0.00 -1.12 -2.03 121.76 121.47 2jyq s ALA 40 Ca 0.03 1.85 0.06 0.00 0.00 0.00 0.00 51.96 53.90 2jyq s ALA 40 Cb 0.02 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.14 2jyq s ALA 40 CO 0.00 -0.31 0.44 0.71 0.00 0.00 0.00 175.76 176.60 2jyq s TYR 41 N 0.01 1.52 -0.21 0.00 1.51 0.30 -3.74 117.35 116.74 2jyq s TYR 41 Ca -0.01 -0.86 -0.03 0.00 -1.01 0.00 0.00 57.07 55.17 2jyq s TYR 41 Cb -0.04 -1.92 0.06 0.00 -0.11 0.00 0.00 41.96 39.95 2jyq s TYR 41 CO 0.00 -0.57 0.04 0.00 -1.11 0.00 0.00 175.55 173.92 2jyq s LEU 43 N 1.84 5.16 -0.23 0.00 1.98 0.52 -0.51 118.68 127.44 2jyq s LEU 43 Ca -0.00 -2.33 -0.28 0.00 -2.89 0.00 0.00 54.13 48.63 2jyq s LEU 43 Cb -0.17 -2.39 0.01 0.00 0.66 0.00 0.00 46.19 44.30 2jyq s LEU 43 CO -0.10 -0.95 1.01 -0.44 -1.89 0.00 0.00 176.35 173.98 2jyq s SER 44 N 3.33 7.06 -0.03 3.68 0.01 -0.38 -2.20 113.70 125.17 2jyq s SER 44 Ca 0.34 1.33 0.06 0.00 1.31 0.00 0.00 55.95 58.99 2jyq s SER 44 Cb -0.05 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2jyq s SER 44 CO -0.07 -0.65 -0.21 0.54 0.41 0.00 0.00 173.24 173.25 2jyq s VAL 45 N 3.16 2.45 -0.25 3.43 0.11 -0.57 -1.50 120.40 127.24 2jyq s VAL 45 Ca 0.43 -0.95 -0.26 0.00 -2.93 0.00 0.00 61.98 58.26 2jyq s VAL 45 Cb -0.15 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 2jyq s VAL 45 CO 0.06 0.58 0.90 -0.55 -3.33 0.00 0.00 175.10 172.76 2jyq s SER 46 N -0.64 6.90 0.01 3.54 0.15 0.15 -1.38 113.70 122.42 2jyq s SER 46 Ca 0.10 1.10 0.01 0.00 0.70 0.00 0.00 55.95 57.87 2jyq s SER 46 Cb -0.10 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2jyq s SER 46 CO -0.00 -0.58 0.04 -0.62 1.20 0.00 0.00 173.24 173.27 2jyq s ASP 47 N 1.34 5.35 -0.12 5.45 -1.08 0.10 -1.87 116.67 125.83 2jyq s ASP 47 Ca 0.38 0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.46 2jyq s ASP 47 Cb -0.15 -1.45 0.01 0.00 -1.46 0.00 0.00 42.92 39.88 2jyq s ASP 47 CO 0.08 0.26 -0.18 0.12 0.52 0.00 0.00 175.17 175.98 2jyq s PHE 48 N -1.16 2.24 -0.05 -5.34 5.36 -1.26 0.60 117.98 118.37 2jyq s PHE 48 Ca 0.22 -1.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.10 2jyq s PHE 48 Cb -0.12 -1.58 -0.03 0.00 -0.34 0.00 0.00 43.02 40.95 2jyq s PHE 48 CO 0.13 -0.54 -0.10 0.34 -1.46 0.00 0.00 175.22 173.59 2jyq s ASP 49 N 0.97 4.42 0.04 6.13 -1.08 0.13 -4.99 116.67 122.28 2jyq s ASP 49 Ca -0.06 -0.11 0.27 0.00 -0.52 0.00 0.00 52.55 52.14 2jyq s ASP 49 Cb -0.15 -1.03 0.96 0.00 -1.46 0.00 0.00 42.92 41.24 2jyq s ASP 49 CO -0.03 0.34 1.76 -0.46 0.52 0.00 0.00 175.17 177.31 2jyq n ASN 50 N 2.14 0.28 -0.04 -0.34 2.04 -1.26 -1.73 115.26 116.34 2jyq n ASN 50 Ca -0.17 0.33 -0.05 0.00 -0.44 0.00 0.00 54.58 54.25 2jyq n ASN 50 Cb 0.53 -0.35 -0.04 0.00 -2.53 0.00 0.00 39.78 37.38 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jyq n ALA 51 N -1.57 1.83 -0.09 -2.53 0.00 -1.26 -4.78 120.51 112.11 2jyq n ALA 51 Ca 0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 2jyq n ALA 51 Cb 0.36 0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 0.00 0.00 1.57 -2.00 -3.51 116.57 112.63 2jyq h LYS 52 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2jyq h LYS 52 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2jyq h LYS 52 CO -0.01 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 2jyq n GLY 53 N 1.51 0.57 3.81 3.86 0.00 -0.70 -5.01 105.19 109.22 2jyq n GLY 53 Ca -0.23 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 4.50 -0.07 0.99 1.02 -1.26 0.17 118.68 124.02 2jyq s LEU 54 Ca 0.00 1.15 0.03 0.00 0.02 0.00 0.00 54.13 55.33 2jyq s LEU 54 Cb 0.00 -2.80 0.01 0.00 0.02 0.00 0.00 46.19 43.42 2jyq s LEU 54 CO 0.00 0.27 -0.16 0.20 0.02 0.00 0.00 176.35 176.68 2jyq s ASN 55 N -0.98 2.22 -0.39 2.29 0.01 0.20 -4.95 114.94 113.34 2jyq s ASN 55 Ca 0.27 -0.39 -0.19 0.00 -0.71 0.00 0.00 52.86 51.85 2jyq s ASN 55 Cb -0.18 -1.00 0.01 0.00 0.41 0.00 0.00 41.25 40.49 2jyq s ASN 55 CO 0.17 0.08 0.55 -0.69 -1.51 0.00 0.00 177.10 175.71 2jyq s VAL 56 N 0.52 4.95 -0.38 1.60 1.01 -1.26 0.00 120.40 126.84 2jyq s VAL 56 Ca -0.15 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 2jyq s VAL 56 Cb -0.16 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2jyq s VAL 56 CO 0.05 -0.37 0.54 -0.54 0.00 0.00 0.00 175.10 174.78 2jyq s LYS 57 N 2.52 3.48 -0.94 2.72 1.02 -0.48 -4.93 119.74 123.12 2jyq s LYS 57 Ca 0.19 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.74 2jyq s LYS 57 Cb -0.15 -3.86 0.16 0.00 -0.52 0.00 0.00 37.83 33.46 2jyq s LYS 57 CO 0.15 -0.76 1.07 -1.01 -0.92 0.00 0.00 175.35 173.88 2jyq s HIS 58 N 2.48 3.36 -0.35 3.18 3.76 -1.26 -1.51 115.29 124.95 2jyq s HIS 58 Ca 0.19 -1.66 -0.29 0.00 -0.15 0.00 0.00 55.06 53.15 2jyq s HIS 58 Cb -0.15 -4.15 0.01 0.00 1.11 0.00 0.00 32.58 29.39 2jyq s HIS 58 CO 0.15 -1.34 1.33 0.71 -0.85 0.00 0.00 174.74 174.74 2jyq s TYR 59 N 1.80 2.58 -0.17 1.40 2.02 -0.94 -4.89 117.35 119.16 2jyq s TYR 59 Ca 0.30 0.78 -0.27 0.00 -0.37 0.00 0.00 57.07 57.51 2jyq s TYR 59 Cb -0.06 -4.10 -0.01 0.00 -0.40 0.00 0.00 41.96 37.40 2jyq s TYR 59 CO -0.08 -1.79 0.94 0.15 -1.57 0.00 0.00 175.55 173.20 2jyq s LYS 60 N 4.48 4.32 -0.85 -0.62 1.02 -1.26 -0.35 119.74 126.48 2jyq s LYS 60 Ca 0.58 1.22 -0.18 0.00 0.02 0.00 0.00 55.97 57.60 2jyq s LYS 60 Cb -0.15 -3.59 0.14 0.00 -0.52 0.00 0.00 37.83 33.71 2jyq s LYS 60 CO 0.27 -0.42 0.99 0.42 -0.92 0.00 0.00 175.35 175.69 2jyq s ILE 61 N 2.45 4.88 0.40 2.17 1.01 0.21 -4.50 121.20 127.82 2jyq s ILE 61 Ca 0.43 -1.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.26 2jyq s ILE 61 Cb -0.17 -4.68 -0.09 0.00 0.01 0.00 0.00 42.46 37.54 2jyq s ILE 61 CO 0.12 -1.36 1.05 -0.13 0.00 0.00 0.00 174.94 174.62 2jyq s ARG 62 N 2.31 4.15 0.19 2.79 0.52 0.14 -0.54 118.95 128.51 2jyq s ARG 62 Ca 0.26 1.52 0.06 0.00 -0.52 0.00 0.00 55.73 57.06 2jyq s ARG 62 Cb -0.09 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 2jyq s ARG 62 CO -0.06 -0.16 0.11 -1.59 0.02 0.00 0.00 175.30 173.63 2jyq s LYS 63 N -2.51 2.77 0.15 3.54 -2.85 -0.86 0.07 119.74 120.05 2jyq s LYS 63 Ca 0.58 -0.98 -0.05 0.00 -1.00 0.00 0.00 55.97 54.51 2jyq s LYS 63 Cb -0.22 -2.54 -0.06 0.00 -2.06 0.00 0.00 37.83 32.95 2jyq s LYS 63 CO 0.28 0.46 0.39 -0.51 0.10 0.00 0.00 175.35 176.07 2jyq s LEU 64 N -3.24 4.26 0.07 2.77 1.43 0.10 -4.96 118.68 119.11 2jyq s LEU 64 Ca 0.31 0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 53.72 2jyq s LEU 64 Cb -0.09 -3.34 -0.15 0.00 0.03 0.00 0.00 46.19 42.64 2jyq s LEU 64 CO 0.22 0.04 1.48 -0.78 0.23 0.00 0.00 176.35 177.55 2jyq h ASP 65 N 2.82 -1.18 -0.46 2.29 3.58 -2.00 -3.21 116.42 118.26 2jyq h ASP 65 Ca -0.46 0.09 -0.32 0.00 0.42 0.00 0.00 57.03 56.75 2jyq h ASP 65 Cb 1.17 0.38 -0.23 0.00 1.72 0.00 0.00 39.33 42.36 2jyq h ASP 65 CO 0.72 -0.60 -0.51 -1.20 -2.88 0.00 0.00 179.24 174.77 2jyq n SER 66 N -5.10 3.66 0.00 2.28 7.64 -1.26 -4.92 113.62 115.92 2jyq n SER 66 Ca -0.11 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 55.96 2jyq n SER 66 Cb 0.41 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.92 1.33 0.15 0.23 0.00 -1.21 -5.17 105.19 99.60 2jyq n GLY 67 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 4.90 2.98 3.81 -0.02 0.00 -1.26 -4.47 105.19 111.13 2jyq n GLY 68 Ca 0.00 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 -5.34 3.46 -0.06 1.61 0.08 0.18 0.02 117.98 117.94 2jyq s PHE 69 Ca 0.01 0.40 -0.04 0.00 0.12 0.00 0.00 56.93 57.43 2jyq s PHE 69 Cb -0.00 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2jyq s PHE 69 CO 0.01 0.60 0.15 1.52 -0.10 0.00 0.00 175.22 177.40 2jyq s TYR 70 N -0.78 -0.17 0.04 0.36 1.13 0.11 -1.02 117.35 117.02 2jyq s TYR 70 Ca 0.13 0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 56.23 2jyq s TYR 70 Cb -0.12 -0.00 -0.27 0.00 -1.10 0.00 0.00 41.96 40.47 2jyq s TYR 70 CO 0.03 -0.12 0.98 0.82 -2.51 0.00 0.00 175.55 174.75 2jyq h ILE 71 N 5.45 1.31 -3.45 -3.49 2.04 -1.80 0.42 117.51 117.98 2jyq h ILE 71 Ca -0.33 -2.95 -0.48 0.00 1.00 0.00 0.00 64.86 62.10 2jyq h ILE 71 Cb 1.17 2.80 -0.18 0.00 -0.74 0.00 0.00 36.82 39.87 2jyq h ILE 71 CO 0.42 0.84 -0.77 0.28 0.00 0.00 0.00 178.15 178.91 2jyq s THR 72 N -2.64 1.60 -0.88 -0.27 -1.32 -1.26 -4.79 115.64 106.08 2jyq s THR 72 Ca -0.06 -1.82 -0.08 0.00 -1.21 0.00 0.00 61.69 58.53 2jyq s THR 72 Cb 0.07 -1.70 -0.14 0.00 -1.51 0.00 0.00 72.50 69.22 2jyq s THR 72 CO 0.86 -0.35 2.97 -1.20 -2.21 0.00 0.00 174.62 174.69 2jyq n SER 73 N 0.43 6.59 0.00 8.08 7.64 -1.26 -3.87 113.62 131.22 2jyq n SER 73 Ca -0.14 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2jyq n SER 73 Cb 0.57 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 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 3.26 0.00 -3.56 1.43 1.74 -1.26 -5.06 116.66 113.21 2jyq n ARG 74 Ca 0.58 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.25 2jyq n ARG 74 Cb 0.45 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.80 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 -0.84 4.44 0.18 0.55 2.01 -1.25 -5.07 115.64 115.65 2jyq s THR 75 Ca 0.00 -1.34 0.08 0.00 0.31 0.00 0.00 61.69 60.74 2jyq s THR 75 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2jyq s THR 75 CO 0.00 -0.53 -0.02 0.00 -0.69 0.00 0.00 174.62 173.38 2jyq s GLN 76 N 1.47 2.32 -0.01 4.92 0.00 -1.26 -4.57 119.66 122.53 2jyq s GLN 76 Ca 0.03 -1.15 0.01 0.00 -0.00 0.00 0.00 55.36 54.26 2jyq s GLN 76 Cb -0.23 -2.31 0.00 0.00 0.00 0.00 0.00 33.01 30.47 2jyq s GLN 76 CO 0.03 0.45 -0.03 -0.06 0.00 0.00 0.00 175.29 175.68 2jyq s PHE 77 N -1.72 0.38 -0.71 9.60 0.08 -0.19 -4.87 117.98 120.55 2jyq s PHE 77 Ca 0.27 -0.06 0.19 0.00 0.12 0.00 0.00 56.93 57.44 2jyq s PHE 77 Cb -0.09 -0.29 0.81 0.00 -0.57 0.00 0.00 43.02 42.88 2jyq s PHE 77 CO 0.18 -0.04 1.59 -1.13 -0.10 0.00 0.00 175.22 175.72 2jyq n SER 78 N 3.25 0.36 -4.03 1.36 3.41 -1.26 0.52 113.62 117.23 2jyq n SER 78 Ca -0.16 0.59 -0.16 0.00 -0.26 0.00 0.00 58.87 58.89 2jyq n SER 78 Cb 0.57 -0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 2jyq n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jyq s SER 79 N -3.68 0.88 0.56 4.04 1.04 -1.26 -4.75 113.70 110.52 2jyq s SER 79 Ca 0.05 -0.31 0.33 0.00 0.48 0.00 0.00 55.95 56.50 2jyq s SER 79 Cb 0.09 -0.04 1.56 0.00 0.10 0.00 0.00 66.02 67.73 2jyq s SER 79 CO 0.33 -0.03 2.07 -0.07 0.98 0.00 0.00 173.24 176.51 2jyq h LEU 80 N 5.32 0.00 -0.07 2.42 3.38 -1.97 -2.28 115.31 122.11 2jyq h LEU 80 Ca -0.32 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.65 2jyq h LEU 80 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2jyq h LEU 80 CO 0.46 0.06 0.02 -0.61 0.09 0.00 0.00 178.44 178.46 2jyq h GLN 81 N 0.00 0.06 0.00 1.13 5.75 -1.96 -2.12 115.11 117.96 2jyq h GLN 81 Ca -0.00 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 2jyq h GLN 81 Cb 0.39 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 2jyq h GLN 81 CO 0.01 0.04 -0.45 1.96 -2.65 0.00 0.00 178.83 177.74 2jyq h GLN 82 N 0.06 0.00 0.62 1.69 1.08 -1.86 -2.33 115.11 114.36 2jyq h GLN 82 Ca 0.03 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2jyq h GLN 82 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2jyq h GLN 82 CO -0.03 0.45 -0.42 1.25 -0.95 0.00 0.00 178.83 179.13 2jyq h LEU 83 N 0.00 -1.08 -0.36 1.46 7.12 -1.05 -1.71 115.31 119.69 2jyq h LEU 83 Ca -0.00 0.07 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 2jyq h LEU 83 Cb 1.03 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 41.47 2jyq h LEU 83 CO 0.06 -0.62 0.01 -0.37 -0.13 0.00 0.00 178.44 177.39 2jyq h VAL 84 N -0.98 1.25 -1.00 1.05 -1.51 -1.43 -0.94 116.25 112.70 2jyq h VAL 84 Ca -0.08 -0.95 0.18 0.00 -1.23 0.00 0.00 66.70 64.62 2jyq h VAL 84 Cb 0.80 1.17 -0.10 0.00 -2.13 0.00 0.00 31.29 31.03 2jyq h VAL 84 CO 0.06 0.32 0.62 0.00 -1.23 0.00 0.00 177.57 177.33 2jyq h ALA 85 N 0.87 1.70 0.19 5.19 0.00 -1.43 0.46 119.26 126.25 2jyq h ALA 85 Ca 0.10 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 2jyq h ALA 85 Cb 0.44 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jyq h ALA 85 CO 0.02 -0.05 -1.60 -0.92 0.00 0.00 0.00 179.25 176.69 2jyq h TYR 86 N 0.77 0.72 0.00 0.00 3.20 -1.16 -3.33 116.97 117.17 2jyq h TYR 86 Ca 0.56 -0.52 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2jyq h TYR 86 Cb 0.87 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2jyq h TYR 86 CO -0.00 1.62 0.00 0.66 -1.64 0.00 0.00 178.16 178.80 2jyq n TYR 87 N -3.70 0.00 1.60 -3.82 4.02 -0.37 0.57 117.16 115.46 2jyq n TYR 87 Ca -0.23 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.78 2jyq n TYR 87 Cb 1.04 -0.39 0.55 0.00 -0.02 0.00 0.00 39.34 40.52 2jyq n TYR 87 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2jyq n SER 88 N -1.39 0.99 0.00 7.72 7.64 0.10 -1.26 113.62 127.42 2jyq n SER 88 Ca 0.07 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2jyq n SER 88 Cb 0.19 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2jyq n SER 88 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jyq n LYS 89 N -0.18 0.28 -3.76 1.43 4.81 0.13 -4.53 118.16 116.35 2jyq n LYS 89 Ca 0.18 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.35 2jyq n LYS 89 Cb 0.24 -0.71 -0.17 0.00 0.02 0.00 0.00 35.03 34.42 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2jyq s HIS 90 N -1.42 1.08 0.16 5.64 3.76 0.19 -5.03 115.29 119.67 2jyq s HIS 90 Ca 0.00 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 54.08 2jyq s HIS 90 Cb 0.00 -1.04 -0.00 0.00 1.11 0.00 0.00 32.58 32.65 2jyq s HIS 90 CO 0.00 -0.58 1.39 0.00 -0.85 0.00 0.00 174.74 174.70 2jyq h ALA 91 N 8.24 0.51 -0.89 -1.40 0.00 -1.81 -3.27 119.26 120.64 2jyq h ALA 91 Ca -0.17 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2jyq h ALA 91 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jyq h ALA 91 CO 0.33 0.79 0.00 -3.47 0.00 0.00 0.00 179.25 176.90 2jyq n ASP 92 N -3.79 0.00 0.05 0.00 -0.08 -1.26 -2.58 116.55 108.89 2jyq n ASP 92 Ca -0.05 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.04 2jyq n ASP 92 Cb 0.76 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.07 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 0.33 -2.57 0.27 0.00 -1.95 -3.46 103.07 95.69 2jyq h GLY 93 Ca 0.00 -0.84 -0.51 0.00 0.00 0.00 0.00 47.33 45.99 2jyq h GLY 93 CO 0.00 0.73 0.47 1.08 0.00 0.00 0.00 176.54 178.82 2jyq s LEU 94 N -7.03 3.95 0.23 3.11 1.02 -1.07 -4.92 118.68 113.97 2jyq s LEU 94 Ca -0.13 2.27 0.24 0.00 0.02 0.00 0.00 54.13 56.53 2jyq s LEU 94 Cb 0.06 -4.32 0.92 0.00 0.02 0.00 0.00 46.19 42.87 2jyq s LEU 94 CO 0.84 -0.98 1.73 0.00 0.02 0.00 0.00 176.35 177.95 2jyq s HIS 96 N -3.23 0.46 0.23 0.00 3.76 -1.26 -5.11 115.29 110.14 2jyq s HIS 96 Ca 0.06 -0.07 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 2jyq s HIS 96 Cb 0.10 -0.47 -0.10 0.00 1.11 0.00 0.00 32.58 33.23 2jyq s HIS 96 CO 0.45 -0.13 1.48 -0.98 -0.85 0.00 0.00 174.74 174.71 2jyq s ARG 97 N 0.83 4.24 -0.36 1.40 1.04 -1.26 -4.82 118.95 120.03 2jyq s ARG 97 Ca -0.09 2.34 -0.30 0.00 -1.04 0.00 0.00 55.73 56.64 2jyq s ARG 97 Cb -0.12 -3.11 -0.08 0.00 -2.04 0.00 0.00 34.95 29.59 2jyq s ARG 97 CO -0.01 -0.48 2.28 1.28 -0.04 0.00 0.00 175.30 178.33 2jyq n LEU 98 N 2.66 2.57 -0.08 -1.89 4.77 -0.39 -4.83 117.00 119.83 2jyq n LEU 98 Ca 0.08 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.09 2jyq n LEU 98 Cb 0.40 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.02 2jyq n LEU 98 CO 0.61 -0.91 -0.52 0.41 -1.33 0.00 0.00 177.39 175.66 2jyq n THR 99 N 7.65 1.34 -4.16 -5.08 -1.04 -1.00 -4.39 114.28 107.59 2jyq n THR 99 Ca 0.37 0.20 -0.17 0.00 -2.04 0.00 0.00 64.05 62.40 2jyq n THR 99 Cb 0.39 -2.29 -0.12 0.00 -1.82 0.00 0.00 70.33 66.49 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 -5.68 1.47 0.12 8.00 2.20 -1.12 -5.04 114.94 114.90 2jyq s ASN 100 Ca -0.22 -0.58 -0.15 0.00 -0.94 0.00 0.00 52.86 50.97 2jyq s ASN 100 Cb 0.03 -0.04 -0.07 0.00 -2.00 0.00 0.00 41.25 39.18 2jyq s ASN 100 CO 0.33 -0.09 0.55 -0.69 -2.94 0.00 0.00 177.10 174.25 2jyq s VAL 101 N -1.24 4.84 -0.20 3.54 1.01 -1.26 -1.10 120.40 125.98 2jyq s VAL 101 Ca -0.03 0.92 -0.38 0.00 0.00 0.00 0.00 61.98 62.49 2jyq s VAL 101 Cb -0.10 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2jyq s VAL 101 CO 0.02 0.33 1.79 0.00 0.00 0.00 0.00 175.10 177.24 2jyq s PRO 103 N 3.65 4.38 -0.33 0.00 0.02 -1.26 -4.96 135.00 136.51 2jyq s PRO 103 Ca 0.96 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 63.64 2jyq s PRO 103 Cb -0.92 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 30.30 2jyq s PRO 103 CO 0.60 -0.33 1.81 0.95 -0.33 0.00 0.00 177.00 179.71 2jyq s THR 104 N 0.91 3.46 -1.52 0.99 -4.23 -1.26 -4.87 115.64 109.12 2jyq s THR 104 Ca 0.61 0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 2jyq s THR 104 Cb -0.34 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 69.87 2jyq s THR 104 CO 0.31 -0.40 2.75 -1.20 -0.54 0.00 0.00 174.62 175.54 2jyq n SER 105 N 10.35 8.46 -0.77 3.99 7.64 -1.26 -5.23 113.62 136.81 2jyq n SER 105 Ca 0.23 -2.77 0.13 0.00 1.01 0.00 0.00 58.87 57.46 2jyq n SER 105 Cb 0.47 -1.49 0.27 0.00 -1.01 0.00 0.00 64.21 62.45 2jyq n SER 105 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32