#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyq n ALA 2 N 0.00 -0.40 -2.38 -1.58 0.00 -1.26 -4.94 120.51 109.95 2jyq n ALA 2 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 53.44 51.51 2jyq n ALA 2 Cb 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.37 2jyq n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jyq n GLU 3 N 0.69 0.15 0.10 0.00 -0.58 -1.18 -4.94 120.64 114.87 2jyq n GLU 3 Ca 0.10 -1.49 -0.12 0.00 -0.42 0.00 0.00 57.16 55.22 2jyq n GLU 3 Cb 0.67 -0.40 -0.06 0.00 -0.57 0.00 0.00 31.44 31.09 2jyq n GLU 3 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jyq h GLU 4 N 0.00 -0.30 -0.16 3.49 4.39 -2.01 -3.13 114.58 116.86 2jyq h GLU 4 Ca -0.19 0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.37 2jyq h GLU 4 Cb 0.68 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2jyq h GLU 4 CO 0.20 -0.20 -0.58 0.11 -1.16 0.00 0.00 179.01 177.37 2jyq h TRP 5 N -0.32 0.66 -2.80 4.33 5.08 -1.94 -3.41 115.95 117.56 2jyq h TRP 5 Ca 0.02 -0.25 -0.64 0.00 1.08 0.00 0.00 58.89 59.10 2jyq h TRP 5 Cb 0.33 -0.12 -0.15 0.00 -3.00 0.00 0.00 29.16 26.22 2jyq h TRP 5 CO -0.17 0.98 0.44 -0.47 -1.28 0.00 0.00 178.44 177.94 2jyq s TYR 6 N -3.93 2.77 0.02 0.12 5.04 -1.18 -0.88 117.35 119.31 2jyq s TYR 6 Ca -0.07 -0.56 0.02 0.00 -2.44 0.00 0.00 57.07 54.02 2jyq s TYR 6 Cb 0.11 -4.17 -0.25 0.00 0.35 0.00 0.00 41.96 38.00 2jyq s TYR 6 CO 0.84 -1.51 0.91 0.74 -1.34 0.00 0.00 175.55 175.19 2jyq h PHE 7 N 9.44 0.28 0.00 4.97 -1.00 -1.72 -3.13 116.94 125.79 2jyq h PHE 7 Ca -0.29 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2jyq h PHE 7 Cb 1.08 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.62 2jyq h PHE 7 CO 0.92 1.24 0.00 0.41 -1.61 0.00 0.00 178.31 179.27 2jyq n GLY 8 N 1.58 0.48 2.46 -1.45 0.00 -1.25 -4.84 105.19 102.18 2jyq n GLY 8 Ca -0.13 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 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 4.38 -2.62 1.61 2.85 -1.26 -0.88 118.16 122.24 2jyq n LYS 9 Ca 0.00 -3.29 -0.34 0.00 -1.05 0.00 0.00 58.31 53.63 2jyq n LYS 9 Cb 0.00 -2.61 -0.05 0.00 -0.65 0.00 0.00 35.03 31.73 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 -0.99 3.94 0.72 0.58 -4.36 -1.26 -4.82 121.20 115.01 2jyq s ILE 10 Ca 0.56 1.26 -0.10 0.00 -0.26 0.00 0.00 60.65 62.11 2jyq s ILE 10 Cb 0.20 -3.54 0.05 0.00 1.25 0.00 0.00 42.46 40.42 2jyq s ILE 10 CO -0.10 -0.21 1.07 0.42 0.24 0.00 0.00 174.94 176.36 2jyq s THR 11 N -1.97 2.72 0.27 8.37 -4.23 -1.26 -4.77 115.64 114.76 2jyq s THR 11 Ca 0.64 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 2jyq s THR 11 Cb -0.15 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.70 2jyq s THR 11 CO 0.19 -0.24 1.88 0.08 -0.54 0.00 0.00 174.62 175.99 2jyq h ARG 12 N -0.70 1.08 -0.91 3.99 0.11 -1.98 -0.34 114.38 115.63 2jyq h ARG 12 Ca -0.45 -0.14 0.12 0.00 0.10 0.00 0.00 59.98 59.61 2jyq h ARG 12 Cb 1.30 -0.21 -0.08 0.00 1.11 0.00 0.00 29.97 32.09 2jyq h ARG 12 CO 0.63 0.81 0.54 -0.09 0.10 0.00 0.00 179.97 181.96 2jyq h ARG 13 N 1.08 0.83 0.04 0.08 2.43 -1.99 0.24 114.38 117.08 2jyq h ARG 13 Ca 0.27 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2jyq h ARG 13 Cb 0.07 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2jyq h ARG 13 CO -0.04 0.55 -0.32 0.93 -1.51 0.00 0.00 179.97 179.58 2jyq h GLU 14 N 0.85 0.15 -0.15 0.20 5.08 -1.77 -2.99 114.58 115.95 2jyq h GLU 14 Ca 0.46 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2jyq h GLU 14 Cb 0.49 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2jyq h GLU 14 CO -0.28 1.04 0.08 1.03 -1.00 0.00 0.00 179.01 179.88 2jyq h SER 15 N -0.64 0.18 0.33 1.42 0.87 -0.63 -2.84 113.55 112.23 2jyq h SER 15 Ca -0.05 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.31 2jyq h SER 15 Cb 1.18 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2jyq h SER 15 CO 0.06 0.20 -0.52 -0.33 -0.53 0.00 0.00 176.83 175.71 2jyq h GLU 16 N 0.15 0.22 -0.06 2.24 5.08 -0.69 -2.36 114.58 119.15 2jyq h GLU 16 Ca 0.05 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2jyq h GLU 16 Cb 0.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jyq h GLU 16 CO -0.01 0.69 0.04 -0.09 -1.00 0.00 0.00 179.01 178.63 2jyq h ARG 17 N 0.17 0.08 0.25 2.33 9.65 -1.34 0.25 114.38 125.76 2jyq h ARG 17 Ca 0.00 -0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 2jyq h ARG 17 Cb 0.97 -0.02 0.04 0.00 -1.39 0.00 0.00 29.97 29.57 2jyq h ARG 17 CO 0.08 0.05 -1.43 -0.07 2.80 0.00 0.00 179.97 181.41 2jyq h LEU 18 N 0.08 0.83 0.00 3.80 3.38 -1.23 -3.36 115.31 118.81 2jyq h LEU 18 Ca 0.02 -0.92 -0.07 0.00 0.09 0.00 0.00 57.88 57.00 2jyq h LEU 18 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jyq h LEU 18 CO -0.00 1.69 -0.49 -0.07 0.09 0.00 0.00 178.44 179.66 2jyq h LEU 19 N 0.11 0.00 -3.51 1.67 3.38 -0.91 -3.24 115.31 112.80 2jyq h LEU 19 Ca -0.25 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 2jyq h LEU 19 Cb 2.13 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.79 2jyq h LEU 19 CO 0.27 0.31 0.17 0.18 0.09 0.00 0.00 178.44 179.46 2jyq n LEU 20 N -3.10 5.94 -4.60 1.67 7.99 0.81 -4.81 117.00 120.90 2jyq n LEU 20 Ca 0.01 -3.08 -0.35 0.00 -0.01 0.00 0.00 56.01 52.58 2jyq n LEU 20 Cb 0.67 -1.15 -0.10 0.00 -0.11 0.00 0.00 43.42 42.72 2jyq n LEU 20 CO 0.39 1.28 -0.27 0.20 -1.51 0.00 0.00 177.39 177.48 2jyq s ASN 21 N 1.05 5.47 0.64 -1.43 0.01 -1.23 -5.00 114.94 114.45 2jyq s ASN 21 Ca 0.29 0.02 0.32 0.00 -0.71 0.00 0.00 52.86 52.78 2jyq s ASN 21 Cb 0.19 -1.94 1.76 0.00 0.41 0.00 0.00 41.25 41.67 2jyq s ASN 21 CO -0.03 0.15 2.04 1.55 -1.51 0.00 0.00 177.10 179.30 2jyq h PRO 22 N 6.87 0.00 -0.75 -0.60 0.13 -1.94 -0.90 132.00 134.81 2jyq h PRO 22 Ca -0.36 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.59 2jyq h PRO 22 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 2jyq h PRO 22 CO 0.68 0.00 0.23 0.39 -0.23 0.00 0.00 178.00 179.07 2jyq n GLU 23 N -3.25 3.75 -2.54 0.86 1.02 -1.26 -4.89 120.64 114.33 2jyq n GLU 23 Ca 0.00 -2.92 -0.43 0.00 -0.02 0.00 0.00 57.16 53.79 2jyq n GLU 23 Cb 0.35 -2.18 -0.02 0.00 -0.02 0.00 0.00 31.44 29.56 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 -0.89 6.80 0.70 1.62 0.01 -0.35 -5.02 114.94 117.82 2jyq s ASN 24 Ca 0.52 1.09 -0.15 0.00 -0.71 0.00 0.00 52.86 53.61 2jyq s ASN 24 Cb 0.41 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.55 2jyq s ASN 24 CO 0.13 -0.99 1.17 -2.84 -1.51 0.00 0.00 177.10 173.06 2jyq s PRO 25 N 3.92 2.42 -0.32 -0.60 0.02 -1.26 -4.74 135.00 134.43 2jyq s PRO 25 Ca 0.50 1.62 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 2jyq s PRO 25 Cb -0.14 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 2jyq s PRO 25 CO 0.20 -1.59 1.91 0.50 -0.33 0.00 0.00 177.00 177.68 2jyq s ARG 26 N -3.96 3.22 0.00 5.54 3.00 -1.26 -2.27 118.95 123.22 2jyq s ARG 26 Ca 0.72 1.52 0.00 0.00 -1.00 0.00 0.00 55.73 56.96 2jyq s ARG 26 Cb -0.26 -4.26 0.00 0.00 0.00 0.00 0.00 34.95 30.44 2jyq s ARG 26 CO 0.43 -2.00 0.00 0.41 0.00 0.00 0.00 175.30 174.15 2jyq n GLY 27 N 5.53 1.74 3.68 8.12 0.00 -1.10 -4.83 105.19 118.32 2jyq n GLY 27 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 4.87 0.15 2.61 2.01 -0.96 -1.94 115.64 120.38 2jyq s THR 28 Ca 0.00 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.73 2jyq s THR 28 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2jyq s THR 28 CO 0.00 0.04 -0.06 0.72 -0.69 0.00 0.00 174.62 174.63 2jyq s PHE 29 N 2.04 1.20 -0.27 4.92 -0.71 -0.79 0.33 117.98 124.69 2jyq s PHE 29 Ca 0.40 -0.87 -0.23 0.00 -1.04 0.00 0.00 56.93 55.18 2jyq s PHE 29 Cb -0.17 -0.65 0.08 0.00 -1.21 0.00 0.00 43.02 41.07 2jyq s PHE 29 CO 0.14 -0.05 0.75 -0.48 -1.34 0.00 0.00 175.22 174.23 2jyq s LEU 30 N -3.15 -0.75 -0.28 -1.99 2.34 -0.66 -0.68 118.68 113.51 2jyq s LEU 30 Ca 0.18 1.40 -0.09 0.00 0.06 0.00 0.00 54.13 55.68 2jyq s LEU 30 Cb 0.04 2.39 -0.03 0.00 -0.56 0.00 0.00 46.19 48.03 2jyq s LEU 30 CO 0.01 -0.24 0.13 0.54 -1.06 0.00 0.00 176.35 175.74 2jyq s VAL 31 N 0.58 4.74 0.09 1.48 0.11 -0.06 -1.32 120.40 126.03 2jyq s VAL 31 Ca -0.01 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2jyq s VAL 31 Cb -0.05 -3.28 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 2jyq s VAL 31 CO -0.03 0.24 -0.10 0.00 -3.33 0.00 0.00 175.10 171.88 2jyq s ARG 32 N 1.67 2.20 0.06 1.54 1.70 0.55 -2.65 118.95 124.03 2jyq s ARG 32 Ca 0.06 -0.97 -0.26 0.00 -0.47 0.00 0.00 55.73 54.09 2jyq s ARG 32 Cb -0.16 -2.33 -0.06 0.00 -0.57 0.00 0.00 34.95 31.83 2jyq s ARG 32 CO 0.07 0.52 0.80 -2.00 -1.08 0.00 0.00 175.30 173.61 2jyq s GLU 33 N -2.05 4.53 0.07 3.89 2.12 -0.06 0.17 118.70 127.38 2jyq s GLU 33 Ca 0.21 1.13 -0.31 0.00 0.36 0.00 0.00 54.97 56.36 2jyq s GLU 33 Cb -0.11 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 2jyq s GLU 33 CO 0.12 0.29 1.21 -1.12 -0.54 0.00 0.00 175.26 175.23 2jyq s SER 34 N -0.13 7.06 0.39 -1.70 0.01 -1.24 -4.31 113.70 113.77 2jyq s SER 34 Ca 0.40 2.04 0.24 0.00 1.31 0.00 0.00 55.95 59.94 2jyq s SER 34 Cb -0.21 -2.58 0.51 0.00 0.21 0.00 0.00 66.02 63.95 2jyq s SER 34 CO 0.24 -0.48 1.67 -0.33 0.41 0.00 0.00 173.24 174.75 2jyq h GLU 35 N 6.78 0.00 -0.00 12.44 4.39 -1.91 -3.30 114.58 132.99 2jyq h GLU 35 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2jyq h GLU 35 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2jyq h GLU 35 CO 0.81 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.91 2jyq n THR 36 N -2.89 0.92 -3.67 1.13 -2.24 -1.26 -4.99 114.28 101.28 2jyq n THR 36 Ca 0.04 -0.96 -0.08 0.00 -2.27 0.00 0.00 64.05 60.78 2jyq n THR 36 Cb 0.49 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.92 -0.40 -0.11 4.28 2.01 -1.24 -5.15 115.64 114.11 2jyq s THR 37 Ca 0.00 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 2jyq s THR 37 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2jyq s THR 37 CO 0.00 0.04 0.07 -0.54 -0.69 0.00 0.00 174.62 173.50 2jyq s LYS 38 N 2.11 3.29 0.00 4.92 -0.14 -1.26 -4.17 119.74 124.49 2jyq s LYS 38 Ca -0.06 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2jyq s LYS 38 Cb -0.10 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 2jyq s LYS 38 CO -0.14 0.69 0.00 0.41 -0.76 0.00 0.00 175.35 175.54 2jyq n GLY 39 N 2.23 0.89 3.18 -3.33 0.00 -1.26 -5.05 105.19 101.85 2jyq n GLY 39 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.02 -0.96 0.33 4.61 0.00 -1.26 -1.08 121.76 121.38 2jyq s ALA 40 Ca 0.00 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.35 2jyq s ALA 40 Cb 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 2jyq s ALA 40 CO 0.00 -0.68 0.43 0.71 0.00 0.00 0.00 175.76 176.21 2jyq s TYR 41 N 2.46 3.08 -0.26 0.00 1.51 0.95 -3.64 117.35 121.44 2jyq s TYR 41 Ca -0.01 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2jyq s TYR 41 Cb -0.12 -1.94 0.05 0.00 -0.11 0.00 0.00 41.96 39.84 2jyq s TYR 41 CO -0.11 0.05 -0.07 0.00 -1.11 0.00 0.00 175.55 174.30 2jyq s LEU 43 N 1.20 5.23 -0.16 0.00 1.98 0.81 -0.33 118.68 127.41 2jyq s LEU 43 Ca -0.05 -2.40 -0.29 0.00 -2.89 0.00 0.00 54.13 48.49 2jyq s LEU 43 Cb -0.19 -2.38 -0.01 0.00 0.66 0.00 0.00 46.19 44.28 2jyq s LEU 43 CO -0.04 -0.91 1.10 -0.44 -1.89 0.00 0.00 176.35 174.17 2jyq s SER 44 N 3.23 7.09 -0.04 3.68 0.01 -0.43 -1.97 113.70 125.26 2jyq s SER 44 Ca 0.34 1.55 0.06 0.00 1.31 0.00 0.00 55.95 59.21 2jyq s SER 44 Cb -0.05 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2jyq s SER 44 CO -0.07 -0.62 -0.23 0.54 0.41 0.00 0.00 173.24 173.27 2jyq s VAL 45 N 2.83 2.28 -0.15 3.43 0.11 -0.52 -1.65 120.40 126.73 2jyq s VAL 45 Ca 0.49 -1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.37 2jyq s VAL 45 Cb -0.19 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 2jyq s VAL 45 CO 0.13 0.58 0.38 -0.55 -3.33 0.00 0.00 175.10 172.31 2jyq s SER 46 N -0.48 6.52 -0.11 3.54 0.15 0.15 -0.83 113.70 122.64 2jyq s SER 46 Ca 0.06 0.62 -0.00 0.00 0.70 0.00 0.00 55.95 57.33 2jyq s SER 46 Cb -0.11 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 2jyq s SER 46 CO 0.01 0.02 -0.10 -0.62 1.20 0.00 0.00 173.24 173.75 2jyq s ASP 47 N 0.66 4.33 -0.34 5.45 2.15 0.77 -2.71 116.67 126.98 2jyq s ASP 47 Ca 0.20 -0.20 -0.09 0.00 0.43 0.00 0.00 52.55 52.89 2jyq s ASP 47 Cb -0.14 -1.46 0.02 0.00 -0.30 0.00 0.00 42.92 41.03 2jyq s ASP 47 CO 0.07 0.23 0.15 0.12 -0.17 0.00 0.00 175.17 175.57 2jyq s PHE 48 N -0.02 3.21 0.09 -5.34 5.36 -1.26 -0.20 117.98 119.82 2jyq s PHE 48 Ca -0.02 -0.93 0.09 0.00 -0.96 0.00 0.00 56.93 55.11 2jyq s PHE 48 Cb -0.14 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 2jyq s PHE 48 CO 0.03 -0.60 -0.24 0.34 -1.46 0.00 0.00 175.22 173.30 2jyq s ASP 49 N 1.54 3.48 0.15 6.13 2.15 0.12 -4.94 116.67 125.30 2jyq s ASP 49 Ca 0.02 -0.62 0.27 0.00 0.43 0.00 0.00 52.55 52.65 2jyq s ASP 49 Cb -0.18 -0.37 0.94 0.00 -0.30 0.00 0.00 42.92 43.00 2jyq s ASP 49 CO 0.05 0.21 1.82 -0.46 -0.17 0.00 0.00 175.17 176.62 2jyq n ASN 50 N 1.21 0.57 -0.01 -0.34 6.94 -1.26 -1.80 115.26 120.58 2jyq n ASN 50 Ca -0.17 0.56 -0.01 0.00 -0.02 0.00 0.00 54.58 54.94 2jyq n ASN 50 Cb 0.53 -0.71 -0.00 0.00 -2.36 0.00 0.00 39.78 37.23 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jyq n ALA 51 N -1.70 2.36 0.19 -2.53 0.00 -1.26 -4.73 120.51 112.84 2jyq n ALA 51 Ca 0.06 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2jyq n ALA 51 Cb 0.40 0.48 0.13 0.00 0.00 0.00 0.00 19.45 20.46 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 -0.02 0.00 0.00 0.00 1.79 -1.99 -3.49 116.57 112.86 2jyq h LYS 52 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2jyq h LYS 52 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2jyq h LYS 52 CO -0.01 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.83 2jyq n GLY 53 N 1.13 0.51 3.48 3.86 0.00 -0.74 -4.71 105.19 108.72 2jyq n GLY 53 Ca 0.03 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 4.91 -0.29 0.99 1.43 -1.26 0.16 118.68 124.62 2jyq s LEU 54 Ca 0.00 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2jyq s LEU 54 Cb 0.00 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2jyq s LEU 54 CO 0.00 -0.59 0.11 0.20 0.23 0.00 0.00 176.35 176.30 2jyq s ASN 55 N 1.87 5.33 -0.48 2.29 0.01 0.72 -4.90 114.94 119.77 2jyq s ASN 55 Ca 0.12 -0.49 -0.21 0.00 -0.71 0.00 0.00 52.86 51.57 2jyq s ASN 55 Cb -0.17 -1.95 0.04 0.00 0.41 0.00 0.00 41.25 39.57 2jyq s ASN 55 CO 0.13 -0.15 0.69 -0.69 -1.51 0.00 0.00 177.10 175.57 2jyq s VAL 56 N 1.58 4.77 -0.35 1.60 1.01 -1.26 -0.17 120.40 127.58 2jyq s VAL 56 Ca 0.04 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2jyq s VAL 56 Cb -0.17 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 2jyq s VAL 56 CO 0.05 -0.76 0.45 -0.54 0.00 0.00 0.00 175.10 174.30 2jyq s LYS 57 N 2.96 3.54 -1.01 2.72 1.02 -0.01 -4.92 119.74 124.04 2jyq s LYS 57 Ca 0.22 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.71 2jyq s LYS 57 Cb -0.15 -3.82 0.14 0.00 -0.52 0.00 0.00 37.83 33.47 2jyq s LYS 57 CO 0.17 -0.62 1.22 -1.01 -0.92 0.00 0.00 175.35 174.18 2jyq s HIS 58 N 2.23 3.23 0.62 3.18 3.76 -1.26 -1.43 115.29 125.61 2jyq s HIS 58 Ca 0.15 -1.61 -0.13 0.00 -0.15 0.00 0.00 55.06 53.32 2jyq s HIS 58 Cb -0.16 -4.29 -0.03 0.00 1.11 0.00 0.00 32.58 29.21 2jyq s HIS 58 CO 0.13 -1.46 1.04 0.71 -0.85 0.00 0.00 174.74 174.31 2jyq s TYR 59 N 2.36 3.22 -0.15 1.40 1.51 -0.83 -4.89 117.35 119.96 2jyq s TYR 59 Ca 0.36 1.44 0.01 0.00 -1.01 0.00 0.00 57.07 57.86 2jyq s TYR 59 Cb -0.04 -2.88 0.02 0.00 -0.11 0.00 0.00 41.96 38.95 2jyq s TYR 59 CO -0.07 -0.95 -0.16 0.15 -1.11 0.00 0.00 175.55 173.41 2jyq s LYS 60 N -4.59 2.53 -0.98 -0.62 1.02 -1.26 -0.13 119.74 115.70 2jyq s LYS 60 Ca 0.59 -0.65 -0.18 0.00 0.02 0.00 0.00 55.97 55.76 2jyq s LYS 60 Cb -0.13 -2.24 0.14 0.00 -0.52 0.00 0.00 37.83 35.08 2jyq s LYS 60 CO 0.45 -0.21 1.17 0.42 -0.92 0.00 0.00 175.35 176.27 2jyq s ILE 61 N 1.36 4.81 0.26 2.17 1.01 0.25 -4.14 121.20 126.92 2jyq s ILE 61 Ca 0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 60.65 58.86 2jyq s ILE 61 Cb -0.13 -4.80 -0.05 0.00 0.01 0.00 0.00 42.46 37.49 2jyq s ILE 61 CO -0.10 -1.52 0.50 -0.60 0.00 0.00 0.00 174.94 173.22 2jyq s ARG 62 N 2.42 3.60 -0.03 2.79 3.52 0.42 -0.04 118.95 131.64 2jyq s ARG 62 Ca 0.34 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 2jyq s ARG 62 Cb -0.05 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 2jyq s ARG 62 CO -0.08 0.28 -0.05 -1.59 -0.81 0.00 0.00 175.30 173.05 2jyq s LYS 63 N -3.45 2.70 0.93 5.12 -2.85 -0.24 -0.11 119.74 121.84 2jyq s LYS 63 Ca 0.42 -0.62 -0.15 0.00 -1.00 0.00 0.00 55.97 54.63 2jyq s LYS 63 Cb -0.11 -2.59 0.17 0.00 -2.06 0.00 0.00 37.83 33.24 2jyq s LYS 63 CO 0.29 0.64 1.25 -0.51 0.10 0.00 0.00 175.35 177.12 2jyq s LEU 64 N -1.20 2.47 0.13 2.77 1.43 0.80 -4.96 118.68 120.11 2jyq s LEU 64 Ca 0.16 0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 53.58 2jyq s LEU 64 Cb -0.11 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2jyq s LEU 64 CO 0.06 -2.56 1.71 -0.78 0.23 0.00 0.00 176.35 175.00 2jyq h ASP 65 N -1.52 0.42 -0.63 2.29 3.58 -2.00 -3.39 116.42 115.17 2jyq h ASP 65 Ca -0.45 -0.11 -0.31 0.00 0.42 0.00 0.00 57.03 56.57 2jyq h ASP 65 Cb 1.27 -0.11 -0.23 0.00 1.72 0.00 0.00 39.33 41.98 2jyq h ASP 65 CO 0.48 0.41 -0.69 -0.24 -2.88 0.00 0.00 179.24 176.32 2jyq n SER 66 N -4.77 -1.22 0.00 2.28 2.88 -1.26 -4.93 113.62 106.61 2jyq n SER 66 Ca -0.01 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 2jyq n SER 66 Cb 0.09 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 2jyq n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jyq n GLY 67 N 0.24 0.00 0.00 0.46 0.00 -1.26 -5.17 105.19 99.46 2jyq n GLY 67 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jyq n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyq n GLY 68 N 0.77 0.56 3.89 -0.02 0.00 -1.26 -4.54 105.19 104.59 2jyq n GLY 68 Ca 0.00 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.27 3.50 -0.16 1.61 0.08 0.24 -0.14 117.98 122.84 2jyq s PHE 69 Ca 0.00 0.29 -0.22 0.00 0.12 0.00 0.00 56.93 57.12 2jyq s PHE 69 Cb 0.00 -1.78 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2jyq s PHE 69 CO 0.00 0.61 0.57 1.52 -0.10 0.00 0.00 175.22 177.82 2jyq s TYR 70 N -1.39 -0.58 0.05 0.36 1.13 0.85 -0.69 117.35 117.08 2jyq s TYR 70 Ca 0.30 1.31 0.09 0.00 -1.41 0.00 0.00 57.07 57.36 2jyq s TYR 70 Cb -0.13 0.24 -0.21 0.00 -1.10 0.00 0.00 41.96 40.77 2jyq s TYR 70 CO 0.22 -0.38 1.05 0.82 -2.51 0.00 0.00 175.55 174.76 2jyq h ILE 71 N 3.94 1.36 -3.89 -3.49 2.04 -1.83 0.12 117.51 115.76 2jyq h ILE 71 Ca -0.28 -3.11 -0.10 0.00 1.00 0.00 0.00 64.86 62.38 2jyq h ILE 71 Cb 1.16 2.67 -0.14 0.00 -0.74 0.00 0.00 36.82 39.77 2jyq h ILE 71 CO 0.22 0.77 -0.40 0.28 0.00 0.00 0.00 178.15 179.02 2jyq s THR 72 N -2.68 0.14 -1.38 -0.27 -1.32 -1.26 -4.53 115.64 104.33 2jyq s THR 72 Ca -0.01 -1.30 -0.09 0.00 -1.21 0.00 0.00 61.69 59.08 2jyq s THR 72 Cb 0.09 -1.47 -0.09 0.00 -1.51 0.00 0.00 72.50 69.52 2jyq s THR 72 CO 0.82 -0.62 2.82 -1.54 -2.21 0.00 0.00 174.62 173.88 2jyq n SER 73 N -0.07 7.73 0.00 8.08 3.41 -1.26 -4.12 113.62 127.39 2jyq n SER 73 Ca -0.13 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2jyq n SER 73 Cb 0.62 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2jyq n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jyq n ARG 74 N 3.64 0.00 -3.65 4.33 1.74 -1.26 -5.08 116.66 116.38 2jyq n ARG 74 Ca 0.69 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.40 2jyq n ARG 74 Cb 0.25 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.58 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 -0.10 5.23 0.02 0.55 2.01 -1.26 -5.08 115.64 117.01 2jyq s THR 75 Ca 0.00 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2jyq s THR 75 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2jyq s THR 75 CO 0.00 0.30 0.09 -1.10 -0.69 0.00 0.00 174.62 173.23 2jyq s GLN 76 N 1.41 3.06 0.01 4.92 -1.52 -1.26 -4.67 119.66 121.61 2jyq s GLN 76 Ca 0.07 -0.53 0.03 0.00 -1.95 0.00 0.00 55.36 52.98 2jyq s GLN 76 Cb -0.15 -2.84 -0.01 0.00 -0.22 0.00 0.00 33.01 29.78 2jyq s GLN 76 CO 0.07 0.62 -0.11 -0.06 -0.25 0.00 0.00 175.29 175.57 2jyq s PHE 77 N -1.28 0.96 0.01 0.91 0.08 0.14 -4.96 117.98 113.84 2jyq s PHE 77 Ca 0.26 -0.24 0.28 0.00 0.12 0.00 0.00 56.93 57.35 2jyq s PHE 77 Cb -0.12 -0.60 1.01 0.00 -0.57 0.00 0.00 43.02 42.74 2jyq s PHE 77 CO 0.17 -0.01 1.85 1.03 -0.10 0.00 0.00 175.22 178.17 2jyq h SER 78 N 5.54 0.00 -5.63 1.36 0.87 -1.84 0.70 113.55 114.54 2jyq h SER 78 Ca -0.33 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 59.94 2jyq h SER 78 Cb 1.18 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.00 2jyq h SER 78 CO 0.47 0.08 -0.53 -0.94 -0.53 0.00 0.00 176.83 175.39 2jyq s SER 79 N -5.95 0.54 0.19 6.23 1.04 -1.26 -4.69 113.70 109.79 2jyq s SER 79 Ca 0.02 -1.45 0.10 0.00 0.48 0.00 0.00 55.95 55.10 2jyq s SER 79 Cb 0.09 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.59 2jyq s SER 79 CO 0.60 -0.94 1.36 -0.07 0.98 0.00 0.00 173.24 175.17 2jyq h LEU 80 N 2.45 0.00 -0.44 2.42 3.38 -1.97 -3.16 115.31 117.99 2jyq h LEU 80 Ca -0.32 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2jyq h LEU 80 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2jyq h LEU 80 CO 0.47 0.80 0.09 -0.61 0.09 0.00 0.00 178.44 179.28 2jyq h GLN 81 N 0.00 0.72 -0.65 1.13 -0.00 -1.99 -2.40 115.11 111.91 2jyq h GLN 81 Ca -0.01 -0.18 -0.00 0.00 -0.00 0.00 0.00 58.65 58.45 2jyq h GLN 81 Cb 1.59 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 28.95 2jyq h GLN 81 CO 0.10 0.73 0.39 1.96 0.00 0.00 0.00 178.83 182.01 2jyq h GLN 82 N 0.58 0.88 0.17 1.69 4.20 -1.98 -2.33 115.11 118.33 2jyq h GLN 82 Ca 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2jyq h GLN 82 Cb 0.35 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2jyq h GLN 82 CO 0.01 0.62 -0.15 1.25 -0.67 0.00 0.00 178.83 179.89 2jyq h LEU 83 N 0.90 -0.40 -0.70 1.46 7.12 -1.40 -1.83 115.31 120.45 2jyq h LEU 83 Ca 0.23 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 58.24 2jyq h LEU 83 Cb -0.03 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 2jyq h LEU 83 CO -0.04 -0.20 0.30 -0.37 -0.13 0.00 0.00 178.44 178.00 2jyq h VAL 84 N -0.31 1.24 -0.70 1.05 -1.51 -1.50 -1.14 116.25 113.37 2jyq h VAL 84 Ca -0.02 -0.73 0.11 0.00 -1.23 0.00 0.00 66.70 64.83 2jyq h VAL 84 Cb 0.26 0.41 -0.05 0.00 -2.13 0.00 0.00 31.29 29.79 2jyq h VAL 84 CO -0.01 0.30 0.47 0.00 -1.23 0.00 0.00 177.57 177.10 2jyq h ALA 85 N 1.14 1.93 0.00 5.19 0.00 -1.42 0.54 119.26 126.64 2jyq h ALA 85 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jyq h ALA 85 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jyq h ALA 85 CO -0.02 -0.09 -0.17 -0.92 0.00 0.00 0.00 179.25 178.05 2jyq h TYR 86 N 0.54 0.00 0.00 0.00 3.20 -0.67 -3.32 116.97 116.72 2jyq h TYR 86 Ca 0.33 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2jyq h TYR 86 Cb 0.56 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 2jyq h TYR 86 CO -0.00 1.06 0.00 0.66 -1.64 0.00 0.00 178.16 178.24 2jyq n TYR 87 N -4.59 0.00 0.23 -3.82 4.02 -0.49 -0.14 117.16 112.38 2jyq n TYR 87 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.88 2jyq n TYR 87 Cb 0.51 -0.39 0.50 0.00 -0.02 0.00 0.00 39.34 39.94 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 -0.99 0.10 113.55 121.26 2jyq h SER 88 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2jyq h SER 88 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2jyq h SER 88 CO 0.00 0.17 -1.30 0.29 -0.53 0.00 0.00 176.83 175.46 2jyq n LYS 89 N -3.33 0.12 -3.85 2.24 5.02 -0.24 -4.04 118.16 114.08 2jyq n LYS 89 Ca 0.00 0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 2jyq n LYS 89 Cb 0.40 -0.87 -0.13 0.00 -0.02 0.00 0.00 35.03 34.41 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2jyq s HIS 90 N -2.10 3.07 0.26 2.13 3.76 0.80 -4.95 115.29 118.27 2jyq s HIS 90 Ca -0.07 -1.09 0.25 0.00 -0.15 0.00 0.00 55.06 54.00 2jyq s HIS 90 Cb 0.02 -2.16 1.13 0.00 1.11 0.00 0.00 32.58 32.69 2jyq s HIS 90 CO 0.11 -0.60 1.93 0.00 -0.85 0.00 0.00 174.74 175.33 2jyq h ALA 91 N 8.14 1.13 -0.87 -1.40 0.00 -1.83 -3.24 119.26 121.19 2jyq h ALA 91 Ca -0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jyq h ALA 91 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jyq h ALA 91 CO 0.59 0.24 0.00 -3.47 0.00 0.00 0.00 179.25 176.62 2jyq n ASP 92 N -3.51 0.00 -0.10 0.00 2.03 -1.26 -1.09 116.55 112.62 2jyq n ASP 92 Ca -0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2jyq n ASP 92 Cb 0.35 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.62 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 -0.73 3.69 0.27 0.00 -1.26 -4.98 105.19 102.18 2jyq n GLY 93 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.71 1.53 -0.04 0.99 1.02 -0.25 -4.98 118.68 111.24 2jyq s LEU 94 Ca -0.17 1.04 0.10 0.00 0.02 0.00 0.00 54.13 55.12 2jyq s LEU 94 Cb 0.06 -3.17 0.26 0.00 0.02 0.00 0.00 46.19 43.36 2jyq s LEU 94 CO 0.70 -3.18 1.20 0.00 0.02 0.00 0.00 176.35 175.09 2jyq s HIS 96 N -1.51 1.72 0.13 0.00 3.76 -1.26 -5.06 115.29 113.07 2jyq s HIS 96 Ca 0.21 -0.98 -0.30 0.00 -0.15 0.00 0.00 55.06 53.84 2jyq s HIS 96 Cb 0.14 -1.34 -0.07 0.00 1.11 0.00 0.00 32.58 32.42 2jyq s HIS 96 CO 0.09 -0.59 1.11 1.03 -0.85 0.00 0.00 174.74 175.54 2jyq s ARG 97 N 1.63 4.55 -0.89 1.40 0.52 -1.26 -4.71 118.95 120.18 2jyq s ARG 97 Ca 0.03 1.70 -0.25 0.00 -0.52 0.00 0.00 55.73 56.69 2jyq s ARG 97 Cb -0.14 -3.32 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 2jyq s ARG 97 CO -0.08 -0.03 2.09 -0.51 0.02 0.00 0.00 175.30 176.79 2jyq s LEU 98 N 0.17 3.03 -0.15 2.53 1.43 0.36 -4.58 118.68 121.47 2jyq s LEU 98 Ca 0.52 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2jyq s LEU 98 Cb -0.28 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 2jyq s LEU 98 CO 0.32 -3.20 -0.04 0.74 0.23 0.00 0.00 176.35 174.41 2jyq h THR 99 N 7.30 0.26 -4.04 5.49 2.02 -1.63 -3.38 112.91 118.93 2jyq h THR 99 Ca 0.07 -1.30 -0.43 0.00 0.77 0.00 0.00 66.41 65.52 2jyq h THR 99 Cb 1.00 0.59 -0.25 0.00 -1.74 0.00 0.00 68.15 67.75 2jyq h THR 99 CO 1.14 0.09 -0.79 0.54 0.37 0.00 0.00 175.52 176.87 2jyq s ASN 100 N -5.97 1.56 0.48 4.18 4.22 -1.11 -5.05 114.94 113.25 2jyq s ASN 100 Ca -0.16 -0.43 -0.08 0.00 -2.14 0.00 0.00 52.86 50.06 2jyq s ASN 100 Cb 0.02 -0.10 -0.05 0.00 1.28 0.00 0.00 41.25 42.41 2jyq s ASN 100 CO 0.29 0.03 0.82 -0.69 -2.04 0.00 0.00 177.10 175.51 2jyq s VAL 101 N -0.80 4.84 0.24 3.54 1.01 -1.26 -1.88 120.40 126.09 2jyq s VAL 101 Ca 0.01 0.43 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 2jyq s VAL 101 Cb -0.07 -3.83 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 2jyq s VAL 101 CO 0.01 -0.79 1.51 0.00 0.00 0.00 0.00 175.10 175.82 2jyq s PRO 103 N -0.08 3.13 0.44 0.00 0.04 -1.26 -5.04 135.00 132.22 2jyq s PRO 103 Ca 0.70 1.29 0.02 0.00 0.04 0.00 0.00 61.00 63.05 2jyq s PRO 103 Cb -0.61 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2jyq s PRO 103 CO 0.46 -0.98 0.64 0.95 0.04 0.00 0.00 177.00 178.11 2jyq s THR 104 N -2.37 3.81 -0.27 1.26 -4.23 -1.26 -5.04 115.64 107.54 2jyq s THR 104 Ca 0.65 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 2jyq s THR 104 Cb -0.18 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 2jyq s THR 104 CO 0.38 -0.25 0.37 -0.55 -0.54 0.00 0.00 174.62 174.04 2jyq s SER 105 N -4.24 6.25 0.00 3.99 0.15 -1.26 -5.22 113.70 113.37 2jyq s SER 105 Ca 0.49 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2jyq s SER 105 Cb -0.10 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2jyq s SER 105 CO 0.36 -0.19 0.47 2.29 1.20 0.00 0.00 173.24 177.38