#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 3.25 -0.38 -1.58 0.00 -1.26 -4.89 121.76 116.89 2jyq s ALA 2 Ca 0.00 -2.75 -0.28 0.00 0.00 0.00 0.00 51.96 48.93 2jyq s ALA 2 Cb 0.00 -4.39 -0.01 0.00 0.00 0.00 0.00 23.12 18.72 2jyq s ALA 2 CO 0.00 -3.24 1.75 -1.21 0.00 0.00 0.00 175.76 173.06 2jyq s GLU 3 N 3.67 3.26 0.00 0.00 2.02 -0.92 -4.74 118.70 121.99 2jyq s GLU 3 Ca 0.45 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.67 2jyq s GLU 3 Cb -0.00 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 30.02 2jyq s GLU 3 CO -0.03 -1.95 0.00 0.39 0.02 0.00 0.00 175.26 173.69 2jyq n GLU 4 N 8.49 0.00 0.09 1.61 -0.58 -1.26 0.48 120.64 129.47 2jyq n GLU 4 Ca 0.22 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.80 2jyq n GLU 4 Cb 0.48 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.45 -1.95 -0.32 5.08 -1.92 -3.42 115.95 113.87 2jyq h TRP 5 Ca 0.00 -0.33 -0.67 0.00 1.08 0.00 0.00 58.89 58.97 2jyq h TRP 5 Cb 0.00 -0.02 -0.15 0.00 -3.00 0.00 0.00 29.16 25.99 2jyq h TRP 5 CO 0.00 1.29 1.14 -0.47 -1.28 0.00 0.00 178.44 179.12 2jyq s TYR 6 N -2.65 2.98 0.20 0.12 5.04 0.18 -0.60 117.35 122.62 2jyq s TYR 6 Ca -0.05 -1.33 0.08 0.00 -2.44 0.00 0.00 57.07 53.33 2jyq s TYR 6 Cb 0.07 -4.42 0.08 0.00 0.35 0.00 0.00 41.96 38.03 2jyq s TYR 6 CO 0.87 -1.62 1.45 0.74 -1.34 0.00 0.00 175.55 175.65 2jyq h PHE 7 N 8.86 0.04 0.00 4.97 -1.00 -1.76 -2.45 116.94 125.60 2jyq h PHE 7 Ca 0.20 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.96 2jyq h PHE 7 Cb 1.00 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 2jyq h PHE 7 CO 1.20 0.82 0.00 0.41 -1.61 0.00 0.00 178.31 179.14 2jyq n GLY 8 N 0.78 -0.17 2.29 -1.45 0.00 -1.25 -4.60 105.19 100.79 2jyq n GLY 8 Ca -0.01 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 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 3.47 -2.89 1.61 2.85 -1.26 0.08 118.16 122.02 2jyq n LYS 9 Ca 0.00 -2.21 -0.40 0.00 -1.05 0.00 0.00 58.31 54.65 2jyq n LYS 9 Cb 0.00 -2.58 -0.05 0.00 -0.65 0.00 0.00 35.03 31.75 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 1.08 4.65 0.82 0.58 -4.36 -1.26 -4.87 121.20 117.85 2jyq s ILE 10 Ca 0.66 1.79 -0.12 0.00 -0.26 0.00 0.00 60.65 62.72 2jyq s ILE 10 Cb 0.22 -4.19 0.09 0.00 1.25 0.00 0.00 42.46 39.82 2jyq s ILE 10 CO -0.06 0.34 1.10 0.42 0.24 0.00 0.00 174.94 176.98 2jyq s THR 11 N -0.02 2.93 0.14 8.37 -4.23 -1.26 -4.62 115.64 116.95 2jyq s THR 11 Ca 0.42 0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 61.04 2jyq s THR 11 Cb -0.21 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.65 2jyq s THR 11 CO 0.25 -0.39 1.70 -0.09 -0.54 0.00 0.00 174.62 175.55 2jyq h ARG 12 N -1.21 0.04 -0.79 3.99 2.43 -1.98 -1.45 114.38 115.41 2jyq h ARG 12 Ca -0.48 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2jyq h ARG 12 Cb 1.27 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 2jyq h ARG 12 CO 0.58 0.03 0.44 0.00 -1.51 0.00 0.00 179.97 179.51 2jyq h ARG 13 N 0.04 1.10 -0.69 0.20 2.47 -1.99 0.24 114.38 115.75 2jyq h ARG 13 Ca 0.14 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2jyq h ARG 13 Cb 0.20 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 2jyq h ARG 13 CO -0.26 0.81 0.38 0.93 0.56 0.00 0.00 179.97 182.39 2jyq h GLU 14 N 1.10 0.96 -0.45 0.04 5.08 -1.85 -2.20 114.58 117.26 2jyq h GLU 14 Ca 0.28 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2jyq h GLU 14 Cb 0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2jyq h GLU 14 CO -0.05 0.72 -0.15 1.03 -1.00 0.00 0.00 179.01 179.56 2jyq h SER 15 N 0.95 0.92 -0.71 1.42 0.87 -0.21 -2.91 113.55 113.87 2jyq h SER 15 Ca 0.24 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2jyq h SER 15 Cb 0.04 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 2jyq h SER 15 CO -0.04 1.09 0.39 -0.33 -0.53 0.00 0.00 176.83 177.41 2jyq h GLU 16 N 0.74 0.99 -0.64 2.24 5.08 -0.39 0.79 114.58 123.40 2jyq h GLU 16 Ca 0.11 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2jyq h GLU 16 Cb 0.71 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2jyq h GLU 16 CO 0.05 0.74 0.42 -0.09 -1.00 0.00 0.00 179.01 179.13 2jyq h ARG 17 N 0.98 0.64 0.13 2.33 9.65 -1.29 0.23 114.38 127.05 2jyq h ARG 17 Ca 0.25 -0.04 -0.28 0.00 -1.10 0.00 0.00 59.98 58.81 2jyq h ARG 17 Cb 0.03 -0.14 0.03 0.00 -1.39 0.00 0.00 29.97 28.49 2jyq h ARG 17 CO -0.04 0.43 -1.17 -0.07 2.80 0.00 0.00 179.97 181.92 2jyq h LEU 18 N 0.66 0.80 0.04 3.80 3.38 -1.16 -3.37 115.31 119.47 2jyq h LEU 18 Ca 0.27 -0.84 -0.28 0.00 0.09 0.00 0.00 57.88 57.12 2jyq h LEU 18 Cb 0.22 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.74 2jyq h LEU 18 CO -0.08 1.57 -1.14 -0.07 0.09 0.00 0.00 178.44 178.81 2jyq h LEU 19 N 0.15 0.83 -2.90 1.67 3.38 -0.38 -3.31 115.31 114.77 2jyq h LEU 19 Ca -0.18 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2jyq h LEU 19 Cb 1.86 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2jyq h LEU 19 CO 0.22 1.53 0.00 0.18 0.09 0.00 0.00 178.44 180.46 2jyq n LEU 20 N -3.80 4.43 -4.62 1.67 7.99 0.76 -4.77 117.00 118.67 2jyq n LEU 20 Ca -0.12 -2.02 -0.41 0.00 -0.01 0.00 0.00 56.01 53.46 2jyq n LEU 20 Cb 0.93 -0.91 -0.06 0.00 -0.11 0.00 0.00 43.42 43.27 2jyq n LEU 20 CO 0.56 0.82 0.41 0.20 -1.51 0.00 0.00 177.39 177.88 2jyq s ASN 21 N 1.82 6.56 0.54 -1.43 0.01 -1.25 -4.94 114.94 116.25 2jyq s ASN 21 Ca 0.00 0.61 0.28 0.00 -0.71 0.00 0.00 52.86 53.03 2jyq s ASN 21 Cb 0.00 -2.34 1.51 0.00 0.41 0.00 0.00 41.25 40.82 2jyq s ASN 21 CO 0.00 -0.44 1.82 -0.65 -1.51 0.00 0.00 177.10 176.33 2jyq h PRO 22 N 8.02 0.00 -0.01 -0.60 0.11 -1.96 0.22 132.00 137.79 2jyq h PRO 22 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jyq h PRO 22 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jyq h PRO 22 CO 0.80 0.00 -0.07 -0.85 -0.21 0.00 0.00 178.00 177.66 2jyq n GLU 23 N -2.64 1.11 -2.97 1.05 0.28 -1.26 -4.84 120.64 111.37 2jyq n GLU 23 Ca -0.02 -0.49 -0.40 0.00 -0.16 0.00 0.00 57.16 56.09 2jyq n GLU 23 Cb 0.26 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.59 2jyq n GLU 23 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2jyq s ASN 24 N -2.23 7.13 0.50 -1.84 0.01 0.77 -5.06 114.94 114.23 2jyq s ASN 24 Ca 0.35 1.36 -0.12 0.00 -0.71 0.00 0.00 52.86 53.74 2jyq s ASN 24 Cb 0.21 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 39.35 2jyq s ASN 24 CO 0.41 -0.08 0.91 -2.16 -1.51 0.00 0.00 177.10 174.67 2jyq s PRO 25 N 0.47 3.77 0.08 -0.60 0.04 -1.26 -4.99 135.00 132.51 2jyq s PRO 25 Ca 0.40 0.68 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 2jyq s PRO 25 Cb -0.19 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 2jyq s PRO 25 CO 0.22 -0.26 1.83 0.50 0.04 0.00 0.00 177.00 179.32 2jyq s ARG 26 N -4.33 4.15 0.00 4.56 3.52 -1.26 -2.26 118.95 123.33 2jyq s ARG 26 Ca 0.54 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.67 2jyq s ARG 26 Cb -0.10 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2jyq s ARG 26 CO 0.38 -0.86 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 2jyq n GLY 27 N 4.27 1.14 3.63 8.12 0.00 -0.84 -4.84 105.19 116.66 2jyq n GLY 27 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.85 3.43 0.27 2.61 2.01 -0.96 -2.12 115.64 119.03 2jyq s THR 28 Ca 0.00 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.52 2jyq s THR 28 Cb 0.00 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 2jyq s THR 28 CO 0.00 -0.20 -0.00 0.72 -0.69 0.00 0.00 174.62 174.45 2jyq s PHE 29 N 5.84 1.80 -0.14 4.92 -0.71 -0.00 0.22 117.98 129.91 2jyq s PHE 29 Ca 0.81 -0.87 -0.30 0.00 -1.04 0.00 0.00 56.93 55.53 2jyq s PHE 29 Cb -0.29 -1.09 0.13 0.00 -1.21 0.00 0.00 43.02 40.56 2jyq s PHE 29 CO 0.33 0.07 1.00 -0.48 -1.34 0.00 0.00 175.22 174.80 2jyq s LEU 30 N -3.40 -0.35 -0.23 -1.99 2.34 -0.69 -0.51 118.68 113.84 2jyq s LEU 30 Ca 0.31 0.31 -0.05 0.00 0.06 0.00 0.00 54.13 54.77 2jyq s LEU 30 Cb 0.06 1.85 -0.01 0.00 -0.56 0.00 0.00 46.19 47.53 2jyq s LEU 30 CO 0.12 -0.37 -0.01 0.54 -1.06 0.00 0.00 176.35 175.57 2jyq s VAL 31 N -1.48 3.60 0.09 1.48 0.11 0.23 -0.56 120.40 123.87 2jyq s VAL 31 Ca 0.00 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 2jyq s VAL 31 Cb -0.01 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2jyq s VAL 31 CO -0.01 0.36 0.18 0.00 -3.33 0.00 0.00 175.10 172.31 2jyq s ARG 32 N 1.50 3.24 -0.31 1.54 1.70 -0.18 -2.72 118.95 123.72 2jyq s ARG 32 Ca 0.05 -0.58 -0.17 0.00 -0.47 0.00 0.00 55.73 54.56 2jyq s ARG 32 Cb -0.15 -2.90 -0.02 0.00 -0.57 0.00 0.00 34.95 31.31 2jyq s ARG 32 CO -0.01 0.57 0.48 -2.00 -1.08 0.00 0.00 175.30 173.26 2jyq s GLU 33 N -2.66 3.81 -0.15 3.89 2.12 0.11 -0.57 118.70 125.25 2jyq s GLU 33 Ca 0.33 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 2jyq s GLU 33 Cb -0.12 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 2jyq s GLU 33 CO 0.26 -0.49 1.18 0.45 -0.54 0.00 0.00 175.26 176.12 2jyq s SER 34 N 1.68 7.02 0.10 -1.70 0.15 -0.81 -4.28 113.70 115.86 2jyq s SER 34 Ca 0.18 1.63 0.23 0.00 0.70 0.00 0.00 55.95 58.70 2jyq s SER 34 Cb -0.16 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.71 2jyq s SER 34 CO 0.11 -0.68 1.08 -1.84 1.20 0.00 0.00 173.24 173.11 2jyq n GLU 35 N 6.16 0.38 0.05 5.44 0.28 -1.26 -3.80 120.64 127.88 2jyq n GLU 35 Ca 0.13 0.04 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 2jyq n GLU 35 Cb 0.46 -1.66 0.19 0.00 1.43 0.00 0.00 31.44 31.85 2jyq n GLU 35 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2jyq n THR 36 N -2.17 0.27 -3.50 3.84 5.66 -1.26 -4.43 114.28 112.69 2jyq n THR 36 Ca 0.02 -0.22 -0.29 0.00 -3.05 0.00 0.00 64.05 60.51 2jyq n THR 36 Cb 0.47 -0.05 -0.13 0.00 -1.55 0.00 0.00 70.33 69.06 2jyq n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2jyq s THR 37 N -3.13 0.14 0.35 1.09 2.01 -1.25 -5.13 115.64 109.72 2jyq s THR 37 Ca 0.07 -1.45 -0.27 0.00 0.31 0.00 0.00 61.69 60.34 2jyq s THR 37 Cb 0.14 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 2jyq s THR 37 CO 0.72 -0.90 1.20 -0.54 -0.69 0.00 0.00 174.62 174.41 2jyq s LYS 38 N 1.36 4.27 0.00 4.92 -0.14 -1.25 -2.85 119.74 126.05 2jyq s LYS 38 Ca 0.15 1.96 0.00 0.00 -1.36 0.00 0.00 55.97 56.73 2jyq s LYS 38 Cb -0.21 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 2jyq s LYS 38 CO -0.11 -0.17 0.00 0.41 -0.76 0.00 0.00 175.35 174.72 2jyq n GLY 39 N 0.81 0.45 2.99 -3.33 0.00 -1.26 -5.04 105.19 99.81 2jyq n GLY 39 Ca 0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.16 0.45 4.61 0.00 -1.13 -4.11 121.76 119.42 2jyq s ALA 40 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.01 2jyq s ALA 40 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2jyq s ALA 40 CO 0.00 -0.10 0.21 0.71 0.00 0.00 0.00 175.76 176.58 2jyq s TYR 41 N -0.57 2.32 -0.14 0.00 1.51 -0.37 -1.92 117.35 118.17 2jyq s TYR 41 Ca -0.06 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.27 2jyq s TYR 41 Cb -0.04 -1.92 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 2jyq s TYR 41 CO 0.00 0.04 0.08 0.00 -1.11 0.00 0.00 175.55 174.57 2jyq s LEU 43 N 2.15 3.98 -0.24 0.00 1.98 -0.35 -1.01 118.68 125.19 2jyq s LEU 43 Ca 0.03 -0.60 -0.11 0.00 -2.89 0.00 0.00 54.13 50.56 2jyq s LEU 43 Cb -0.15 -2.63 -0.05 0.00 0.66 0.00 0.00 46.19 44.02 2jyq s LEU 43 CO -0.08 -1.45 0.18 -0.55 -1.89 0.00 0.00 176.35 172.56 2jyq s SER 44 N 3.37 6.14 -0.04 3.68 0.15 0.28 -1.94 113.70 125.32 2jyq s SER 44 Ca 0.29 0.14 0.06 0.00 0.70 0.00 0.00 55.95 57.13 2jyq s SER 44 Cb -0.13 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2jyq s SER 44 CO 0.15 0.04 -0.22 0.54 1.20 0.00 0.00 173.24 174.95 2jyq s VAL 45 N 1.13 2.36 -0.52 4.45 0.11 -0.54 -1.70 120.40 125.69 2jyq s VAL 45 Ca 0.08 -0.98 -0.21 0.00 -2.93 0.00 0.00 61.98 57.95 2jyq s VAL 45 Cb -0.14 -1.87 0.05 0.00 -1.53 0.00 0.00 36.38 32.90 2jyq s VAL 45 CO 0.05 0.58 0.75 -0.44 -3.33 0.00 0.00 175.10 172.71 2jyq s SER 46 N -0.46 6.27 0.62 3.54 0.01 0.13 0.14 113.70 123.95 2jyq s SER 46 Ca 0.05 -0.67 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 2jyq s SER 46 Cb -0.12 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2jyq s SER 46 CO 0.01 -1.01 0.90 -1.81 0.41 0.00 0.00 173.24 171.73 2jyq s ASP 47 N 2.71 5.12 -0.08 2.44 1.01 0.82 -1.98 116.67 126.71 2jyq s ASP 47 Ca 0.21 0.30 -0.03 0.00 0.71 0.00 0.00 52.55 53.74 2jyq s ASP 47 Cb -0.16 -1.11 0.04 0.00 1.01 0.00 0.00 42.92 42.70 2jyq s ASP 47 CO 0.15 -1.33 0.16 0.12 0.21 0.00 0.00 175.17 174.49 2jyq s PHE 48 N -3.00 -0.19 -0.04 4.23 5.36 -1.26 -1.00 117.98 122.08 2jyq s PHE 48 Ca 0.58 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 57.17 2jyq s PHE 48 Cb -0.11 -0.18 -0.00 0.00 -0.34 0.00 0.00 43.02 42.40 2jyq s PHE 48 CO 0.42 -0.24 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.29 2jyq s ASP 49 N 1.86 1.83 -0.33 6.13 1.01 -0.76 -4.99 116.67 121.43 2jyq s ASP 49 Ca -0.02 -0.30 -0.07 0.00 0.71 0.00 0.00 52.55 52.88 2jyq s ASP 49 Cb -0.12 -0.50 -0.21 0.00 1.01 0.00 0.00 42.92 43.10 2jyq s ASP 49 CO -0.06 0.12 3.44 -3.20 0.21 0.00 0.00 175.17 175.68 2jyq n ASN 50 N 3.19 5.97 0.00 0.27 5.15 -1.26 0.10 115.26 128.68 2jyq n ASN 50 Ca -0.18 -2.56 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 2jyq n ASN 50 Cb 0.53 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 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 2.55 0.00 -0.00 5.20 0.00 -1.26 -4.92 120.51 122.08 2jyq n ALA 51 Ca 0.50 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.97 2jyq n ALA 51 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.23 0.29 0.00 0.00 5.02 -0.90 -5.13 118.16 117.22 2jyq n LYS 52 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2jyq n LYS 52 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 2.15 -1.38 3.62 0.72 0.00 0.12 -4.72 105.19 105.71 2jyq n GLY 53 Ca -0.01 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 3.82 -0.11 0.99 1.02 -1.26 -1.82 118.68 121.32 2jyq s LEU 54 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 54.13 55.40 2jyq s LEU 54 Cb 0.00 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.68 2jyq s LEU 54 CO 0.00 -1.19 -0.19 0.54 0.02 0.00 0.00 176.35 175.53 2jyq s ASN 55 N 3.34 2.71 -0.22 2.29 2.20 -0.17 -4.96 114.94 120.13 2jyq s ASN 55 Ca 0.61 -0.49 -0.24 0.00 -0.94 0.00 0.00 52.86 51.80 2jyq s ASN 55 Cb -0.18 -1.24 -0.01 0.00 -2.00 0.00 0.00 41.25 37.82 2jyq s ASN 55 CO 0.26 0.08 0.77 -0.69 -2.94 0.00 0.00 177.10 174.59 2jyq s VAL 56 N 0.69 4.89 -0.39 3.54 1.01 -1.26 -0.13 120.40 128.75 2jyq s VAL 56 Ca -0.12 1.47 -0.13 0.00 0.00 0.00 0.00 61.98 63.20 2jyq s VAL 56 Cb -0.16 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.17 2jyq s VAL 56 CO 0.03 -0.01 0.25 -0.75 0.00 0.00 0.00 175.10 174.62 2jyq s LYS 57 N 2.50 2.93 -0.66 2.72 2.20 0.12 -4.95 119.74 124.61 2jyq s LYS 57 Ca 0.34 -1.03 -0.22 0.00 -0.36 0.00 0.00 55.97 54.70 2jyq s LYS 57 Cb -0.16 -3.86 0.08 0.00 -1.51 0.00 0.00 37.83 32.38 2jyq s LYS 57 CO 0.09 -0.71 0.93 -1.01 -0.36 0.00 0.00 175.35 174.29 2jyq s HIS 58 N 1.62 2.73 0.09 4.03 3.76 -1.26 -1.46 115.29 124.80 2jyq s HIS 58 Ca 0.04 -0.63 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 2jyq s HIS 58 Cb -0.19 -4.25 -0.06 0.00 1.11 0.00 0.00 32.58 29.18 2jyq s HIS 58 CO 0.08 -1.60 0.51 0.71 -0.85 0.00 0.00 174.74 173.60 2jyq s TYR 59 N 3.84 3.67 -0.18 1.40 2.02 -0.82 -5.00 117.35 122.28 2jyq s TYR 59 Ca 0.21 1.06 -0.10 0.00 -0.37 0.00 0.00 57.07 57.87 2jyq s TYR 59 Cb -0.18 -2.36 -0.05 0.00 -0.40 0.00 0.00 41.96 38.98 2jyq s TYR 59 CO 0.09 0.52 0.16 0.15 -1.57 0.00 0.00 175.55 174.89 2jyq s LYS 60 N -1.60 4.09 -0.59 -0.62 -0.14 -1.26 -1.21 119.74 118.41 2jyq s LYS 60 Ca 0.33 -0.16 -0.17 0.00 -1.36 0.00 0.00 55.97 54.61 2jyq s LYS 60 Cb -0.16 -3.39 0.13 0.00 -1.68 0.00 0.00 37.83 32.74 2jyq s LYS 60 CO 0.18 0.37 0.59 0.42 -0.76 0.00 0.00 175.35 176.14 2jyq s ILE 61 N 0.16 5.14 0.39 2.17 1.01 0.14 -4.10 121.20 126.12 2jyq s ILE 61 Ca 0.10 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.11 2jyq s ILE 61 Cb -0.11 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 2jyq s ILE 61 CO -0.00 -0.96 0.84 -0.13 0.00 0.00 0.00 174.94 174.68 2jyq s ARG 62 N 1.75 4.06 -0.16 2.79 0.52 0.14 -1.24 118.95 126.80 2jyq s ARG 62 Ca 0.07 0.84 -0.03 0.00 -0.52 0.00 0.00 55.73 56.09 2jyq s ARG 62 Cb -0.26 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 2jyq s ARG 62 CO 0.02 0.03 -0.04 0.15 0.02 0.00 0.00 175.30 175.48 2jyq s LYS 63 N -3.23 3.61 -0.00 3.54 1.02 -1.26 -1.02 119.74 122.40 2jyq s LYS 63 Ca 0.57 -0.55 -0.19 0.00 0.02 0.00 0.00 55.97 55.83 2jyq s LYS 63 Cb -0.10 -2.92 -0.06 0.00 -0.52 0.00 0.00 37.83 34.24 2jyq s LYS 63 CO 0.18 0.17 0.53 -0.51 -0.92 0.00 0.00 175.35 174.80 2jyq s LEU 64 N 0.55 4.44 0.10 3.17 1.43 0.77 -4.97 118.68 124.18 2jyq s LEU 64 Ca -0.03 1.09 0.26 0.00 -1.03 0.00 0.00 54.13 54.42 2jyq s LEU 64 Cb -0.14 -2.81 0.98 0.00 0.03 0.00 0.00 46.19 44.25 2jyq s LEU 64 CO 0.03 0.18 1.80 -0.67 0.23 0.00 0.00 176.35 177.91 2jyq n ASP 65 N 2.42 0.37 -2.65 2.29 2.03 -1.26 -3.07 116.55 116.69 2jyq n ASP 65 Ca -0.09 0.55 -0.07 0.00 0.52 0.00 0.00 54.79 55.69 2jyq n ASP 65 Cb 0.51 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 40.31 2jyq n ASP 65 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jyq n SER 66 N -1.86 2.31 0.00 1.67 7.64 -1.26 -4.95 113.62 117.17 2jyq n SER 66 Ca 0.06 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.41 2jyq n SER 66 Cb 0.34 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.52 -1.75 0.00 0.23 0.00 -1.20 -5.17 105.19 96.78 2jyq n GLY 67 Ca 0.16 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.32 -0.37 3.35 -0.02 0.00 -1.18 -4.20 105.19 101.44 2jyq n GLY 68 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.33 -0.23 1.61 0.08 0.15 -0.16 117.98 121.75 2jyq s PHE 69 Ca 0.00 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.45 2jyq s PHE 69 Cb 0.00 -1.39 0.06 0.00 -0.57 0.00 0.00 43.02 41.12 2jyq s PHE 69 CO 0.00 0.13 0.60 1.52 -0.10 0.00 0.00 175.22 177.38 2jyq s TYR 70 N -0.81 -0.75 0.00 0.36 1.13 -0.18 -1.20 117.35 115.89 2jyq s TYR 70 Ca 0.12 1.70 0.10 0.00 -1.41 0.00 0.00 57.07 57.59 2jyq s TYR 70 Cb -0.10 0.32 -0.23 0.00 -1.10 0.00 0.00 41.96 40.86 2jyq s TYR 70 CO 0.02 -0.37 0.84 0.82 -2.51 0.00 0.00 175.55 174.36 2jyq h ILE 71 N 4.52 1.10 -4.11 -3.49 2.04 -1.76 0.44 117.51 116.26 2jyq h ILE 71 Ca -0.30 -2.91 -0.13 0.00 1.00 0.00 0.00 64.86 62.52 2jyq h ILE 71 Cb 1.18 2.55 -0.17 0.00 -0.74 0.00 0.00 36.82 39.65 2jyq h ILE 71 CO 0.15 0.64 -0.65 0.28 0.00 0.00 0.00 178.15 178.56 2jyq s THR 72 N -2.63 0.18 0.00 -0.27 -1.32 -1.26 -4.69 115.64 105.65 2jyq s THR 72 Ca -0.03 -1.50 -0.01 0.00 -1.21 0.00 0.00 61.69 58.94 2jyq s THR 72 Cb 0.09 -1.16 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 2jyq s THR 72 CO 0.82 -0.83 1.81 -1.20 -2.21 0.00 0.00 174.62 173.01 2jyq n SER 73 N 0.51 3.91 0.00 8.08 7.64 -1.26 -3.64 113.62 128.85 2jyq n SER 73 Ca -0.17 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.63 2jyq n SER 73 Cb 0.59 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.89 0.00 -3.48 1.43 1.74 -1.26 -5.05 116.66 111.93 2jyq n ARG 74 Ca 0.08 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.78 2jyq n ARG 74 Cb 0.45 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.81 2jyq n ARG 74 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2jyq s THR 75 N -0.81 5.25 -0.05 0.55 -4.23 -1.24 -5.07 115.64 110.04 2jyq s THR 75 Ca 0.00 0.54 0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2jyq s THR 75 Cb 0.00 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.20 2jyq s THR 75 CO 0.00 0.29 -0.10 -1.10 -0.54 0.00 0.00 174.62 173.17 2jyq s GLN 76 N 1.17 1.31 0.04 3.99 -0.21 -1.26 -4.34 119.66 120.37 2jyq s GLN 76 Ca 0.16 -0.31 0.05 0.00 0.02 0.00 0.00 55.36 55.27 2jyq s GLN 76 Cb -0.14 -1.15 -0.02 0.00 1.00 0.00 0.00 33.01 32.70 2jyq s GLN 76 CO 0.07 0.02 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.06 2jyq s PHE 77 N 0.63 1.15 -2.12 0.91 0.08 -0.34 -4.98 117.98 113.30 2jyq s PHE 77 Ca -0.11 -0.37 0.22 0.00 0.12 0.00 0.00 56.93 56.79 2jyq s PHE 77 Cb -0.14 -0.68 1.15 0.00 -0.57 0.00 0.00 43.02 42.78 2jyq s PHE 77 CO 0.02 0.03 1.76 0.43 -0.10 0.00 0.00 175.22 177.36 2jyq n SER 78 N 1.81 0.57 -3.69 1.36 7.64 -1.26 0.33 113.62 120.37 2jyq n SER 78 Ca -0.19 -1.43 -0.11 0.00 1.01 0.00 0.00 58.87 58.15 2jyq n SER 78 Cb 0.55 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2jyq n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jyq s SER 79 N -1.69 -0.20 0.12 6.43 0.01 -1.26 -4.75 113.70 112.36 2jyq s SER 79 Ca 0.33 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 2jyq s SER 79 Cb 0.16 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 2jyq s SER 79 CO 0.26 -0.71 1.56 -0.07 0.41 0.00 0.00 173.24 174.69 2jyq h LEU 80 N 2.85 0.69 -0.31 2.44 3.38 -1.97 -2.49 115.31 119.91 2jyq h LEU 80 Ca -0.32 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.35 2jyq h LEU 80 Cb 1.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jyq h LEU 80 CO 0.46 0.84 0.17 -0.61 0.09 0.00 0.00 178.44 179.39 2jyq h GLN 81 N 0.53 0.33 -0.69 1.13 5.75 -1.99 -1.21 115.11 118.96 2jyq h GLN 81 Ca 0.11 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.69 2jyq h GLN 81 Cb 0.49 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.92 2jyq h GLN 81 CO 0.02 0.22 0.46 0.37 -2.65 0.00 0.00 178.83 177.25 2jyq h GLN 82 N 0.34 0.55 0.51 1.69 4.15 -1.95 -0.36 115.11 120.04 2jyq h GLN 82 Ca 0.13 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2jyq h GLN 82 Cb 0.03 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2jyq h GLN 82 CO -0.08 0.37 -0.24 1.25 -1.93 0.00 0.00 178.83 178.19 2jyq h LEU 83 N 0.57 -0.58 -0.81 -2.39 6.46 -0.82 -3.04 115.31 114.71 2jyq h LEU 83 Ca 0.32 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.10 2jyq h LEU 83 Cb 0.49 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 2jyq h LEU 83 CO -0.11 -0.18 0.49 -0.37 -0.62 0.00 0.00 178.44 177.65 2jyq h VAL 84 N -1.13 1.23 -0.60 1.05 -1.51 -1.10 -0.89 116.25 113.30 2jyq h VAL 84 Ca -0.07 -0.49 0.09 0.00 -1.23 0.00 0.00 66.70 65.00 2jyq h VAL 84 Cb 0.52 0.09 -0.07 0.00 -2.13 0.00 0.00 31.29 29.70 2jyq h VAL 84 CO 0.11 0.24 0.22 0.00 -1.23 0.00 0.00 177.57 176.91 2jyq h ALA 85 N 1.26 0.77 -0.11 5.19 0.00 -1.18 0.56 119.26 125.76 2jyq h ALA 85 Ca 0.29 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 2jyq h ALA 85 Cb -0.05 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jyq h ALA 85 CO -0.05 -0.20 -0.23 -0.92 0.00 0.00 0.00 179.25 177.85 2jyq h TYR 86 N 0.40 0.44 0.00 0.00 3.20 -1.31 -3.08 116.97 116.62 2jyq h TYR 86 Ca 0.30 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jyq h TYR 86 Cb 0.38 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2jyq h TYR 86 CO -0.17 0.84 0.00 0.66 -1.64 0.00 0.00 178.16 177.85 2jyq n TYR 87 N -4.49 0.32 0.17 -3.82 4.02 -0.38 -0.96 117.16 112.01 2jyq n TYR 87 Ca -0.07 0.14 0.03 0.00 -0.01 0.00 0.00 57.90 57.99 2jyq n TYR 87 Cb 0.43 -0.72 0.28 0.00 -0.02 0.00 0.00 39.34 39.30 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 -0.79 -0.72 113.55 120.63 2jyq h SER 88 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2jyq h SER 88 Cb 0.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 2jyq h SER 88 CO 0.00 0.46 -2.20 1.17 -0.53 0.00 0.00 176.83 175.73 2jyq n LYS 89 N -3.62 0.46 -3.86 2.24 4.81 -0.30 -4.00 118.16 113.89 2jyq n LYS 89 Ca -0.01 0.19 -0.36 0.00 -0.87 0.00 0.00 58.31 57.27 2jyq n LYS 89 Cb 0.55 -1.28 -0.13 0.00 0.02 0.00 0.00 35.03 34.18 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 3.32 0.28 5.64 2.46 -0.14 -4.91 115.29 119.54 2jyq s HIS 90 Ca -0.30 -1.89 -0.03 0.00 0.47 0.00 0.00 55.06 53.32 2jyq s HIS 90 Cb 0.11 -2.33 0.38 0.00 -0.13 0.00 0.00 32.58 30.60 2jyq s HIS 90 CO 0.39 -0.82 1.87 0.00 -2.47 0.00 0.00 174.74 173.71 2jyq h ALA 91 N 8.04 1.25 0.00 1.58 0.00 -1.83 -3.32 119.26 124.99 2jyq h ALA 91 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jyq h ALA 91 Cb 1.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2jyq h ALA 91 CO 0.57 0.56 0.00 -3.47 0.00 0.00 0.00 179.25 176.92 2jyq n ASP 92 N -4.32 0.00 -0.05 0.00 2.03 -1.26 -2.28 116.55 110.67 2jyq n ASP 92 Ca 0.06 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.31 2jyq n ASP 92 Cb 0.15 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.43 3.77 0.27 0.00 -1.26 -5.02 105.19 102.53 2jyq n GLY 93 Ca 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.97 3.33 0.43 0.99 1.02 -0.96 -4.94 118.68 113.57 2jyq s LEU 94 Ca -0.08 1.99 0.25 0.00 0.02 0.00 0.00 54.13 56.30 2jyq s LEU 94 Cb 0.03 -4.55 0.53 0.00 0.02 0.00 0.00 46.19 42.23 2jyq s LEU 94 CO 0.39 -1.72 1.68 0.00 0.02 0.00 0.00 176.35 176.71 2jyq s HIS 96 N -3.26 -0.10 0.38 0.00 5.65 -1.26 -5.08 115.29 111.62 2jyq s HIS 96 Ca 0.07 0.30 -0.25 0.00 0.25 0.00 0.00 55.06 55.43 2jyq s HIS 96 Cb 0.06 -0.05 -0.09 0.00 -1.18 0.00 0.00 32.58 31.32 2jyq s HIS 96 CO 0.64 -0.09 1.07 -0.98 -0.65 0.00 0.00 174.74 174.73 2jyq s ARG 97 N 0.59 4.21 -0.27 2.88 1.04 -1.26 -4.83 118.95 121.31 2jyq s ARG 97 Ca -0.05 1.60 -0.30 0.00 -1.04 0.00 0.00 55.73 55.94 2jyq s ARG 97 Cb -0.06 -2.65 -0.07 0.00 -2.04 0.00 0.00 34.95 30.12 2jyq s ARG 97 CO -0.02 -0.12 2.22 1.28 -0.04 0.00 0.00 175.30 178.62 2jyq n LEU 98 N 0.13 2.84 -0.09 -1.89 4.77 -0.27 -4.79 117.00 117.70 2jyq n LEU 98 Ca 0.04 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 2jyq n LEU 98 Cb 0.48 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 2jyq n LEU 98 CO 0.47 -0.73 -0.63 0.41 -1.33 0.00 0.00 177.39 175.58 2jyq n THR 99 N 7.59 1.48 -4.14 -5.08 -1.04 -0.90 -4.28 114.28 107.91 2jyq n THR 99 Ca 0.34 0.15 -0.15 0.00 -2.04 0.00 0.00 64.05 62.35 2jyq n THR 99 Cb 0.37 -2.35 -0.12 0.00 -1.82 0.00 0.00 70.33 66.41 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 1.00 0.21 8.00 4.22 -0.93 -5.01 114.94 116.56 2jyq s ASN 100 Ca -0.27 -0.44 -0.15 0.00 -2.14 0.00 0.00 52.86 49.86 2jyq s ASN 100 Cb 0.04 -0.02 -0.08 0.00 1.28 0.00 0.00 41.25 42.48 2jyq s ASN 100 CO 0.40 -0.10 0.63 -0.69 -2.04 0.00 0.00 177.10 175.30 2jyq s VAL 101 N -1.02 4.76 -0.03 3.54 1.01 -1.26 -0.82 120.40 126.57 2jyq s VAL 101 Ca -0.05 0.91 -0.34 0.00 0.00 0.00 0.00 61.98 62.50 2jyq s VAL 101 Cb -0.08 -3.72 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 2jyq s VAL 101 CO 0.01 0.10 1.83 0.00 0.00 0.00 0.00 175.10 177.04 2jyq s PRO 103 N 3.47 4.68 0.43 0.00 0.04 -1.26 -5.02 135.00 137.34 2jyq s PRO 103 Ca 0.90 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.59 2jyq s PRO 103 Cb -0.68 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 2jyq s PRO 103 CO 0.48 0.21 0.29 -0.08 0.04 0.00 0.00 177.00 177.94 2jyq s THR 104 N -0.32 2.34 -0.08 1.26 -1.32 -1.26 -4.98 115.64 111.27 2jyq s THR 104 Ca 0.47 -1.53 0.25 0.00 -1.21 0.00 0.00 61.69 59.66 2jyq s THR 104 Cb -0.26 -2.87 0.45 0.00 -1.51 0.00 0.00 72.50 68.30 2jyq s THR 104 CO 0.33 0.00 1.15 -0.24 -2.21 0.00 0.00 174.62 173.65 2jyq n SER 105 N -1.43 1.13 0.00 8.08 2.88 -1.26 -5.27 113.62 117.74 2jyq n SER 105 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 2jyq n SER 105 Cb 0.63 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2jyq n SER 105 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98