#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 3.02 0.85 -1.58 0.00 -1.26 -4.87 121.76 117.91 2jyq s ALA 2 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 51.96 49.89 2jyq s ALA 2 Cb 0.00 -4.10 0.17 0.00 0.00 0.00 0.00 23.12 19.19 2jyq s ALA 2 CO 0.00 -3.07 1.10 0.39 0.00 0.00 0.00 175.76 174.18 2jyq n GLU 3 N 8.04 -0.62 -0.09 0.00 -0.58 -0.21 -4.96 120.64 122.22 2jyq n GLU 3 Ca 0.10 -2.31 -0.07 0.00 -0.42 0.00 0.00 57.16 54.46 2jyq n GLU 3 Cb 0.48 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 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 0.17 0.08 3.49 4.39 -1.99 -3.26 114.58 117.45 2jyq h GLU 4 Ca -0.36 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.03 2jyq h GLU 4 Cb 1.15 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 2jyq h GLU 4 CO 0.32 0.11 -1.64 0.11 -1.16 0.00 0.00 179.01 176.74 2jyq h TRP 5 N 0.17 0.30 -1.33 4.33 5.08 -1.94 -3.43 115.95 119.13 2jyq h TRP 5 Ca 0.15 -0.22 -0.65 0.00 1.08 0.00 0.00 58.89 59.25 2jyq h TRP 5 Cb 0.16 -0.01 -0.11 0.00 -3.00 0.00 0.00 29.16 26.19 2jyq h TRP 5 CO -0.18 1.65 1.58 -0.47 -1.28 0.00 0.00 178.44 179.74 2jyq s TYR 6 N -2.47 2.78 0.30 0.12 6.14 -1.23 -1.40 117.35 121.58 2jyq s TYR 6 Ca -0.24 -1.26 0.08 0.00 0.64 0.00 0.00 57.07 56.29 2jyq s TYR 6 Cb 0.06 -4.62 0.45 0.00 0.42 0.00 0.00 41.96 38.27 2jyq s TYR 6 CO 0.70 -1.79 1.68 0.74 0.64 0.00 0.00 175.55 177.53 2jyq h PHE 7 N 8.80 0.17 0.00 4.97 -1.00 -1.51 -0.55 116.94 127.82 2jyq h PHE 7 Ca 0.27 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.00 2jyq h PHE 7 Cb 0.96 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2jyq h PHE 7 CO 1.29 0.60 0.00 0.41 -1.61 0.00 0.00 178.31 178.99 2jyq n GLY 8 N -0.08 0.12 2.73 -1.45 0.00 -1.23 -4.67 105.19 100.62 2jyq n GLY 8 Ca -0.02 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2jyq n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jyq n LYS 9 N 0.22 3.27 -3.67 1.61 5.02 -1.26 0.28 118.16 123.62 2jyq n LYS 9 Ca 0.00 -2.93 -0.31 0.00 -2.02 0.00 0.00 58.31 53.04 2jyq n LYS 9 Cb 0.00 -3.09 -0.05 0.00 -0.02 0.00 0.00 35.03 31.87 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 1.93 5.16 0.70 -0.18 -4.36 -1.26 -4.94 121.20 118.26 2jyq s ILE 10 Ca 0.46 0.04 -0.10 0.00 -0.26 0.00 0.00 60.65 60.79 2jyq s ILE 10 Cb 0.13 -3.62 0.03 0.00 1.25 0.00 0.00 42.46 40.25 2jyq s ILE 10 CO -0.05 0.04 1.05 0.42 0.24 0.00 0.00 174.94 176.63 2jyq s THR 11 N -1.66 3.08 0.07 8.37 -4.23 -1.26 -4.75 115.64 115.26 2jyq s THR 11 Ca 0.41 0.17 0.31 0.00 -1.18 0.00 0.00 61.69 61.40 2jyq s THR 11 Cb -0.12 -3.31 0.36 0.00 1.34 0.00 0.00 72.50 70.77 2jyq s THR 11 CO 0.25 -0.38 1.93 0.08 -0.54 0.00 0.00 174.62 175.96 2jyq h ARG 12 N -0.61 0.00 -0.36 3.99 0.11 -1.98 0.68 114.38 116.22 2jyq h ARG 12 Ca -0.45 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.59 2jyq h ARG 12 Cb 1.28 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 2jyq h ARG 12 CO 0.63 0.04 0.06 -0.09 0.10 0.00 0.00 179.97 180.71 2jyq h ARG 13 N 0.00 0.59 0.09 0.08 9.65 -1.99 -2.08 114.38 120.72 2jyq h ARG 13 Ca -0.00 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2jyq h ARG 13 Cb 0.58 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2jyq h ARG 13 CO 0.01 0.66 -0.05 0.93 2.80 0.00 0.00 179.97 184.32 2jyq h GLU 14 N 0.43 -0.12 0.03 0.20 5.08 -1.76 -3.03 114.58 115.41 2jyq h GLU 14 Ca 0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jyq h GLU 14 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2jyq h GLU 14 CO 0.01 0.34 -0.08 1.03 -1.00 0.00 0.00 179.01 179.31 2jyq h SER 15 N -0.66 -0.25 -0.12 1.42 0.87 -0.91 -2.73 113.55 111.17 2jyq h SER 15 Ca -0.01 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2jyq h SER 15 Cb 0.52 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2jyq h SER 15 CO 0.02 -0.09 0.09 -0.33 -0.53 0.00 0.00 176.83 175.99 2jyq h GLU 16 N -0.13 0.00 0.77 2.24 3.07 -1.54 -1.83 114.58 117.16 2jyq h GLU 16 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2jyq h GLU 16 Cb 0.13 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2jyq h GLU 16 CO -0.04 0.00 -0.37 -0.09 -1.40 0.00 0.00 179.01 177.11 2jyq h ARG 17 N 0.00 -1.00 -0.49 2.33 9.65 -1.36 0.23 114.38 123.75 2jyq h ARG 17 Ca 0.06 0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 2jyq h ARG 17 Cb 0.23 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 2jyq h ARG 17 CO -0.00 -0.65 0.09 -0.07 2.80 0.00 0.00 179.97 182.14 2jyq h LEU 18 N -1.10 0.72 -0.31 3.80 4.07 -1.32 -3.13 115.31 118.03 2jyq h LEU 18 Ca -0.11 -0.13 -0.16 0.00 0.08 0.00 0.00 57.88 57.56 2jyq h LEU 18 Cb 0.80 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 2jyq h LEU 18 CO 0.17 0.73 -0.42 -0.07 -1.08 0.00 0.00 178.44 177.77 2jyq h LEU 19 N 0.73 0.91 -4.83 1.67 3.38 -1.22 -3.27 115.31 112.69 2jyq h LEU 19 Ca 0.16 -0.50 -0.55 0.00 0.09 0.00 0.00 57.88 57.07 2jyq h LEU 19 Cb 0.32 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2jyq h LEU 19 CO 0.00 1.23 2.93 0.18 0.09 0.00 0.00 178.44 182.87 2jyq n LEU 20 N -4.11 7.79 -4.09 1.67 7.99 0.80 -4.78 117.00 122.28 2jyq n LEU 20 Ca -0.04 -4.02 -0.32 0.00 -0.01 0.00 0.00 56.01 51.62 2jyq n LEU 20 Cb 0.56 -1.49 -0.16 0.00 -0.11 0.00 0.00 43.42 42.22 2jyq n LEU 20 CO 0.48 1.90 -0.51 0.20 -1.51 0.00 0.00 177.39 177.94 2jyq s ASN 21 N 2.22 3.12 0.11 -1.43 0.02 -1.23 -4.95 114.94 112.79 2jyq s ASN 21 Ca 0.67 -0.67 0.08 0.00 -1.02 0.00 0.00 52.86 51.92 2jyq s ASN 21 Cb 0.20 -1.41 0.42 0.00 0.02 0.00 0.00 41.25 40.48 2jyq s ASN 21 CO -0.05 -0.03 1.24 -2.65 0.02 0.00 0.00 177.10 175.64 2jyq n PRO 22 N 4.64 0.05 0.20 -0.60 -0.02 -1.26 -0.72 135.00 137.29 2jyq n PRO 22 Ca -0.20 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 2jyq n PRO 22 Cb 0.49 -1.66 0.23 0.00 -0.02 0.00 0.00 33.50 32.54 2jyq n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jyq h GLU 23 N 0.00 0.00 -5.97 -0.52 5.08 -1.95 -3.43 114.58 107.79 2jyq h GLU 23 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2jyq h GLU 23 Cb 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 2jyq h GLU 23 CO 0.00 0.00 0.03 -0.80 -1.00 0.00 0.00 179.01 177.24 2jyq s ASN 24 N -5.92 6.92 0.66 1.42 0.01 0.10 -5.07 114.94 113.06 2jyq s ASN 24 Ca 0.07 1.10 -0.07 0.00 -0.71 0.00 0.00 52.86 53.25 2jyq s ASN 24 Cb 0.06 -2.38 0.03 0.00 0.41 0.00 0.00 41.25 39.38 2jyq s ASN 24 CO 0.65 -0.08 0.98 -2.16 -1.51 0.00 0.00 177.10 174.99 2jyq s PRO 25 N 0.70 2.59 0.15 -0.60 0.04 -1.26 -4.92 135.00 131.70 2jyq s PRO 25 Ca 0.34 -0.04 -0.33 0.00 0.04 0.00 0.00 61.00 61.02 2jyq s PRO 25 Cb -0.17 -2.19 -0.13 0.00 0.04 0.00 0.00 34.50 32.05 2jyq s PRO 25 CO 0.16 -0.99 1.67 -2.13 0.04 0.00 0.00 177.00 175.75 2jyq n ARG 26 N -2.80 2.40 0.00 4.56 0.63 -1.26 -2.43 116.66 117.76 2jyq n ARG 26 Ca 0.06 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 2jyq n ARG 26 Cb 0.59 -2.68 0.00 0.00 0.45 0.00 0.00 32.46 30.82 2jyq n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jyq n GLY 27 N 3.74 0.81 3.66 5.14 0.00 -0.27 -4.89 105.19 113.37 2jyq n GLY 27 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 4.48 0.31 2.61 2.01 -1.02 -1.68 115.64 120.36 2jyq s THR 28 Ca 0.00 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.81 2jyq s THR 28 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2jyq s THR 28 CO 0.00 -0.17 0.14 0.72 -0.69 0.00 0.00 174.62 174.63 2jyq s PHE 29 N 3.37 1.64 -0.21 4.92 -0.71 0.14 0.50 117.98 127.63 2jyq s PHE 29 Ca 0.49 -1.31 -0.29 0.00 -1.04 0.00 0.00 56.93 54.78 2jyq s PHE 29 Cb -0.18 -0.93 0.14 0.00 -1.21 0.00 0.00 43.02 40.84 2jyq s PHE 29 CO 0.10 -0.44 1.10 -0.48 -1.34 0.00 0.00 175.22 174.16 2jyq s LEU 30 N -3.40 -0.30 -0.30 -1.99 2.34 -0.71 -1.07 118.68 113.24 2jyq s LEU 30 Ca 0.35 0.40 -0.11 0.00 0.06 0.00 0.00 54.13 54.82 2jyq s LEU 30 Cb 0.05 1.68 -0.03 0.00 -0.56 0.00 0.00 46.19 47.33 2jyq s LEU 30 CO 0.17 -0.23 0.19 0.54 -1.06 0.00 0.00 176.35 175.95 2jyq s VAL 31 N -0.78 5.10 0.21 1.48 0.11 -0.49 -0.74 120.40 125.28 2jyq s VAL 31 Ca 0.02 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.11 2jyq s VAL 31 Cb -0.02 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.29 2jyq s VAL 31 CO -0.03 0.16 -0.16 0.00 -3.33 0.00 0.00 175.10 171.75 2jyq s ARG 32 N 1.71 1.81 -0.15 1.54 1.70 -0.79 -1.76 118.95 123.02 2jyq s ARG 32 Ca 0.06 -1.46 -0.09 0.00 -0.47 0.00 0.00 55.73 53.78 2jyq s ARG 32 Cb -0.16 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.19 2jyq s ARG 32 CO 0.09 0.40 0.15 -2.00 -1.08 0.00 0.00 175.30 172.86 2jyq s GLU 33 N -2.95 3.77 -0.21 3.89 2.12 0.14 0.40 118.70 125.86 2jyq s GLU 33 Ca 0.25 -0.14 -0.25 0.00 0.36 0.00 0.00 54.97 55.19 2jyq s GLU 33 Cb -0.08 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 2jyq s GLU 33 CO 0.13 0.57 0.83 0.45 -0.54 0.00 0.00 175.26 176.71 2jyq s SER 34 N -0.45 6.89 0.34 -1.70 0.15 -1.17 -4.29 113.70 113.47 2jyq s SER 34 Ca 0.13 1.10 0.24 0.00 0.70 0.00 0.00 55.95 58.11 2jyq s SER 34 Cb -0.12 -2.44 0.46 0.00 -1.71 0.00 0.00 66.02 62.21 2jyq s SER 34 CO 0.02 -0.47 1.61 -0.33 1.20 0.00 0.00 173.24 175.28 2jyq h GLU 35 N 7.52 0.00 0.00 5.44 4.39 -1.92 -3.24 114.58 126.77 2jyq h GLU 35 Ca -0.26 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.24 2jyq h GLU 35 Cb 1.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 2jyq h GLU 35 CO 0.86 0.00 -1.16 1.79 -1.16 0.00 0.00 179.01 179.34 2jyq h THR 36 N 0.00 1.09 -2.85 1.13 1.35 -1.96 -3.41 112.91 108.25 2jyq h THR 36 Ca 0.00 -2.72 -0.58 0.00 -0.55 0.00 0.00 66.41 62.55 2jyq h THR 36 Cb 0.91 2.49 -0.40 0.00 -1.73 0.00 0.00 68.15 69.43 2jyq h THR 36 CO 0.00 0.62 -0.79 -0.89 -0.25 0.00 0.00 175.52 174.21 2jyq s THR 37 N -2.77 0.66 -0.29 6.82 2.01 -1.23 -5.09 115.64 115.75 2jyq s THR 37 Ca -0.01 -1.80 -0.29 0.00 0.31 0.00 0.00 61.69 59.91 2jyq s THR 37 Cb 0.09 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 2jyq s THR 37 CO 0.80 -0.86 1.54 -0.54 -0.69 0.00 0.00 174.62 174.87 2jyq s LYS 38 N 1.08 3.71 0.00 4.92 -0.14 -1.22 -2.32 119.74 125.77 2jyq s LYS 38 Ca 0.15 1.40 0.00 0.00 -1.36 0.00 0.00 55.97 56.16 2jyq s LYS 38 Cb -0.21 -4.03 0.00 0.00 -1.68 0.00 0.00 37.83 31.91 2jyq s LYS 38 CO -0.09 -1.40 0.00 0.41 -0.76 0.00 0.00 175.35 173.51 2jyq n GLY 39 N 4.79 0.87 2.65 -3.33 0.00 -1.26 -5.06 105.19 103.85 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 -1.74 0.30 0.41 4.61 0.00 -0.98 0.04 121.76 124.40 2jyq s ALA 40 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 2jyq s ALA 40 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2jyq s ALA 40 CO 0.00 -0.72 0.64 0.71 0.00 0.00 0.00 175.76 176.39 2jyq s TYR 41 N 2.16 3.41 -0.34 0.00 1.51 0.87 -3.03 117.35 121.93 2jyq s TYR 41 Ca 0.04 0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.51 2jyq s TYR 41 Cb -0.13 -2.12 0.10 0.00 -0.11 0.00 0.00 41.96 39.69 2jyq s TYR 41 CO -0.05 -0.13 0.06 0.00 -1.11 0.00 0.00 175.55 174.32 2jyq s LEU 43 N 0.97 3.24 -0.52 0.00 1.98 0.56 -1.89 118.68 123.02 2jyq s LEU 43 Ca 0.08 -0.47 -0.20 0.00 -2.89 0.00 0.00 54.13 50.65 2jyq s LEU 43 Cb -0.20 -2.56 0.05 0.00 0.66 0.00 0.00 46.19 44.15 2jyq s LEU 43 CO -0.07 -1.94 0.70 -0.44 -1.89 0.00 0.00 176.35 172.72 2jyq s SER 44 N 4.97 6.25 -0.08 3.68 0.01 0.08 -0.73 113.70 127.89 2jyq s SER 44 Ca 0.45 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2jyq s SER 44 Cb -0.08 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2jyq s SER 44 CO 0.11 -0.97 -0.13 0.54 0.41 0.00 0.00 173.24 173.21 2jyq s VAL 45 N 2.94 3.16 -0.12 3.43 0.11 -0.52 -1.74 120.40 127.66 2jyq s VAL 45 Ca 0.19 -0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 58.34 2jyq s VAL 45 Cb -0.18 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 2jyq s VAL 45 CO 0.14 0.57 0.70 -0.55 -3.33 0.00 0.00 175.10 172.63 2jyq s SER 46 N -0.38 6.90 -0.06 3.54 0.15 0.18 -0.17 113.70 123.86 2jyq s SER 46 Ca 0.04 1.09 0.02 0.00 0.70 0.00 0.00 55.95 57.80 2jyq s SER 46 Cb -0.12 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2jyq s SER 46 CO 0.02 -0.21 -0.11 -0.62 1.20 0.00 0.00 173.24 173.53 2jyq s ASP 47 N 0.96 4.33 -0.28 5.45 2.15 0.16 -1.12 116.67 128.32 2jyq s ASP 47 Ca 0.35 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.17 2jyq s ASP 47 Cb -0.17 -1.00 0.02 0.00 -0.30 0.00 0.00 42.92 41.47 2jyq s ASP 47 CO 0.15 0.35 0.02 0.12 -0.17 0.00 0.00 175.17 175.64 2jyq s PHE 48 N -0.77 3.12 0.16 -5.34 5.36 -1.26 -0.05 117.98 119.19 2jyq s PHE 48 Ca 0.12 -1.22 0.08 0.00 -0.96 0.00 0.00 56.93 54.95 2jyq s PHE 48 Cb -0.11 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 2jyq s PHE 48 CO 0.01 -0.64 -0.05 0.34 -1.46 0.00 0.00 175.22 173.42 2jyq s ASP 49 N 1.43 4.54 0.49 6.13 2.15 0.36 -4.98 116.67 126.78 2jyq s ASP 49 Ca 0.01 -0.45 0.28 0.00 0.43 0.00 0.00 52.55 52.82 2jyq s ASP 49 Cb -0.17 -0.89 0.80 0.00 -0.30 0.00 0.00 42.92 42.36 2jyq s ASP 49 CO -0.00 0.11 1.78 0.78 -0.17 0.00 0.00 175.17 177.66 2jyq h ASN 50 N 2.93 0.00 0.00 -0.34 4.21 -1.99 -1.65 115.58 118.74 2jyq h ASN 50 Ca -0.47 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 56.86 2jyq h ASN 50 Cb 1.20 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.37 2jyq h ASN 50 CO 0.56 0.02 -1.60 0.00 -1.29 0.00 0.00 177.43 175.11 2jyq n ALA 51 N -2.10 2.27 0.41 -0.83 0.00 -1.26 -4.68 120.51 114.33 2jyq n ALA 51 Ca 0.02 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.16 2jyq n ALA 51 Cb 0.43 0.35 0.28 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.36 0.00 0.00 0.00 1.79 -2.00 -3.49 116.57 112.51 2jyq h LYS 52 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2jyq h LYS 52 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2jyq h LYS 52 CO -0.16 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.62 2jyq n GLY 53 N 1.20 -0.10 3.69 3.86 0.00 -0.62 -4.75 105.19 108.48 2jyq n GLY 53 Ca 0.05 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 4.26 -0.02 0.99 1.02 -1.26 -0.49 118.68 123.19 2jyq s LEU 54 Ca 0.00 1.69 0.03 0.00 0.02 0.00 0.00 54.13 55.87 2jyq s LEU 54 Cb 0.00 -3.56 -0.00 0.00 0.02 0.00 0.00 46.19 42.65 2jyq s LEU 54 CO 0.00 -0.53 -0.11 0.54 0.02 0.00 0.00 176.35 176.27 2jyq s ASN 55 N 1.33 1.33 -0.24 2.29 2.20 0.92 -4.95 114.94 117.82 2jyq s ASN 55 Ca 0.53 -0.21 -0.12 0.00 -0.94 0.00 0.00 52.86 52.12 2jyq s ASN 55 Cb -0.22 -0.24 -0.05 0.00 -2.00 0.00 0.00 41.25 38.74 2jyq s ASN 55 CO 0.20 0.11 0.22 -0.69 -2.94 0.00 0.00 177.10 174.00 2jyq s VAL 56 N -0.07 5.31 -0.31 3.54 1.01 -1.26 0.35 120.40 128.98 2jyq s VAL 56 Ca 0.01 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 2jyq s VAL 56 Cb -0.06 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2jyq s VAL 56 CO 0.00 0.31 0.17 -0.54 0.00 0.00 0.00 175.10 175.04 2jyq s LYS 57 N 1.24 3.50 -0.77 2.72 1.02 0.76 -4.92 119.74 123.29 2jyq s LYS 57 Ca 0.10 -0.62 -0.19 0.00 0.02 0.00 0.00 55.97 55.28 2jyq s LYS 57 Cb -0.14 -3.61 0.12 0.00 -0.52 0.00 0.00 37.83 33.68 2jyq s LYS 57 CO 0.06 -0.36 0.94 -1.01 -0.92 0.00 0.00 175.35 174.06 2jyq s HIS 58 N 1.66 3.05 0.01 3.18 3.76 -1.26 -1.43 115.29 124.26 2jyq s HIS 58 Ca 0.05 -1.15 -0.30 0.00 -0.15 0.00 0.00 55.06 53.51 2jyq s HIS 58 Cb -0.17 -4.17 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 2jyq s HIS 58 CO 0.08 -1.42 1.10 0.71 -0.85 0.00 0.00 174.74 174.35 2jyq s TYR 59 N 2.73 3.50 -0.31 1.40 1.51 0.09 -4.83 117.35 121.43 2jyq s TYR 59 Ca 0.23 1.47 -0.27 0.00 -1.01 0.00 0.00 57.07 57.49 2jyq s TYR 59 Cb -0.13 -3.28 0.01 0.00 -0.11 0.00 0.00 41.96 38.45 2jyq s TYR 59 CO -0.01 -0.69 1.00 0.15 -1.11 0.00 0.00 175.55 174.88 2jyq s LYS 60 N 1.28 4.04 -1.03 -0.62 1.02 -1.26 -0.33 119.74 122.84 2jyq s LYS 60 Ca 0.55 0.94 -0.13 0.00 0.02 0.00 0.00 55.97 57.35 2jyq s LYS 60 Cb -0.24 -3.73 0.22 0.00 -0.52 0.00 0.00 37.83 33.55 2jyq s LYS 60 CO 0.27 -0.84 1.09 0.42 -0.92 0.00 0.00 175.35 175.37 2jyq s ILE 61 N 3.45 5.53 0.04 2.17 1.01 0.18 -4.00 121.20 129.58 2jyq s ILE 61 Ca 0.42 -2.77 -0.19 0.00 0.00 0.00 0.00 60.65 58.12 2jyq s ILE 61 Cb -0.13 -4.66 -0.06 0.00 0.01 0.00 0.00 42.46 37.62 2jyq s ILE 61 CO 0.14 -1.28 0.54 -0.60 0.00 0.00 0.00 174.94 173.74 2jyq s ARG 62 N 0.23 4.16 -0.05 2.79 3.52 -0.30 -0.09 118.95 129.21 2jyq s ARG 62 Ca 0.30 0.66 -0.19 0.00 -0.13 0.00 0.00 55.73 56.37 2jyq s ARG 62 Cb -0.08 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 2jyq s ARG 62 CO -0.07 0.60 0.54 0.21 -0.81 0.00 0.00 175.30 175.78 2jyq s LYS 63 N -0.93 4.30 0.00 5.12 2.20 0.11 -0.77 119.74 129.76 2jyq s LYS 63 Ca 0.28 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 2jyq s LYS 63 Cb -0.19 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2jyq s LYS 63 CO 0.17 0.30 0.00 1.28 -0.36 0.00 0.00 175.35 176.74 2jyq n LEU 64 N 3.06 2.44 0.07 5.43 4.77 0.22 -4.97 117.00 128.02 2jyq n LEU 64 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2jyq n LEU 64 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2jyq n LEU 64 CO 0.43 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.82 2jyq n ASP 65 N -0.48 -1.26 0.00 -1.43 -0.08 -1.26 -4.97 116.55 107.06 2jyq n ASP 65 Ca 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2jyq n ASP 65 Cb 0.00 1.41 0.00 0.00 2.34 0.00 0.00 41.12 44.87 2jyq n ASP 65 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2jyq n SER 66 N -2.71 4.94 0.11 1.67 3.41 -1.26 -4.74 113.62 115.04 2jyq n SER 66 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2jyq n SER 66 Cb 0.00 0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 2jyq n SER 66 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jyq h GLY 67 N 0.00 -0.27 0.00 5.00 0.00 -1.99 -3.49 103.07 102.32 2jyq h GLY 67 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jyq h GLY 67 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.05 2jyq n GLY 68 N -0.56 0.66 3.63 4.60 0.00 -1.26 -4.00 105.19 108.27 2jyq n GLY 68 Ca -0.09 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.00 3.03 0.01 1.61 0.40 0.16 -0.61 117.98 118.59 2jyq s PHE 69 Ca 0.00 0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2jyq s PHE 69 Cb 0.00 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 2jyq s PHE 69 CO 0.00 0.40 -0.07 1.52 0.70 0.00 0.00 175.22 177.78 2jyq s TYR 70 N -0.90 0.59 -0.13 0.36 -0.85 0.05 -0.50 117.35 115.98 2jyq s TYR 70 Ca 0.14 -0.24 0.19 0.00 -0.52 0.00 0.00 57.07 56.64 2jyq s TYR 70 Cb -0.11 -0.37 -0.21 0.00 0.38 0.00 0.00 41.96 41.65 2jyq s TYR 70 CO 0.04 -0.03 0.57 -0.89 -1.52 0.00 0.00 175.55 173.72 2jyq n ILE 71 N 2.39 0.88 -4.12 -3.49 5.41 -1.26 -1.16 119.36 118.02 2jyq n ILE 71 Ca -0.16 -0.67 -0.15 0.00 1.00 0.00 0.00 62.75 62.76 2jyq n ILE 71 Cb 0.57 -0.45 -0.12 0.00 -0.71 0.00 0.00 39.64 38.93 2jyq n ILE 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2jyq s THR 72 N -3.01 0.79 -1.46 1.39 -1.32 -1.26 -4.71 115.64 106.06 2jyq s THR 72 Ca -0.06 -1.15 -0.09 0.00 -1.21 0.00 0.00 61.69 59.18 2jyq s THR 72 Cb 0.09 -0.81 -0.09 0.00 -1.51 0.00 0.00 72.50 70.19 2jyq s THR 72 CO 0.84 -0.29 2.83 -1.20 -2.21 0.00 0.00 174.62 174.58 2jyq n SER 73 N 1.43 7.99 0.00 8.08 7.64 -1.26 -3.31 113.62 134.19 2jyq n SER 73 Ca -0.22 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2jyq n SER 73 Cb 0.54 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 3.66 0.00 -3.73 1.43 1.85 -1.26 -5.12 116.66 113.50 2jyq n ARG 74 Ca 0.72 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 57.22 2jyq n ARG 74 Cb 0.23 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.56 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 -1.76 5.41 0.03 8.89 2.01 -1.21 -5.08 115.64 123.93 2jyq s THR 75 Ca 0.00 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 2jyq s THR 75 Cb 0.00 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 69.06 2jyq s THR 75 CO 0.00 0.44 0.30 0.00 -0.69 0.00 0.00 174.62 174.67 2jyq s GLN 76 N 0.35 0.77 0.00 4.92 -2.07 -1.26 -4.17 119.66 118.21 2jyq s GLN 76 Ca 0.08 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 2jyq s GLN 76 Cb -0.11 0.34 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2jyq s GLN 76 CO -0.02 -0.24 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.63 2jyq s PHE 77 N -2.31 0.16 -0.95 9.60 0.08 0.35 -4.90 117.98 120.00 2jyq s PHE 77 Ca -0.07 -0.10 0.28 0.00 0.12 0.00 0.00 56.93 57.16 2jyq s PHE 77 Cb -0.02 -0.10 1.10 0.00 -0.57 0.00 0.00 43.02 43.43 2jyq s PHE 77 CO -0.02 -0.03 1.85 -1.13 -0.10 0.00 0.00 175.22 175.80 2jyq n SER 78 N 2.82 0.18 -4.02 1.36 3.41 -1.26 0.38 113.62 116.49 2jyq n SER 78 Ca -0.14 0.44 -0.20 0.00 -0.26 0.00 0.00 58.87 58.72 2jyq n SER 78 Cb 0.59 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 2jyq n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jyq s SER 79 N -3.25 1.18 0.44 4.04 0.01 -1.26 -4.71 113.70 110.15 2jyq s SER 79 Ca 0.13 -0.18 0.11 0.00 1.31 0.00 0.00 55.95 57.32 2jyq s SER 79 Cb 0.18 -0.20 0.96 0.00 0.21 0.00 0.00 66.02 67.17 2jyq s SER 79 CO 0.56 0.10 2.02 -0.07 0.41 0.00 0.00 173.24 176.26 2jyq h LEU 80 N 6.07 0.19 -0.18 2.44 -0.00 -1.99 -2.12 115.31 119.73 2jyq h LEU 80 Ca -0.32 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.55 2jyq h LEU 80 Cb 1.17 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2jyq h LEU 80 CO 0.49 0.24 0.08 -0.61 -0.00 0.00 0.00 178.44 178.64 2jyq h GLN 81 N 0.20 0.17 -0.61 1.13 5.75 -1.98 -0.52 115.11 119.26 2jyq h GLN 81 Ca 0.05 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 2jyq h GLN 81 Cb 0.17 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2jyq h GLN 81 CO 0.00 0.11 0.06 1.96 -2.65 0.00 0.00 178.83 178.32 2jyq h GLN 82 N 0.18 1.03 0.00 1.69 1.08 -1.87 -0.67 115.11 116.55 2jyq h GLN 82 Ca 0.07 -0.30 0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2jyq h GLN 82 Cb 0.02 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 2jyq h GLN 82 CO -0.05 0.98 -0.45 1.25 -0.95 0.00 0.00 178.83 179.61 2jyq h LEU 83 N 0.94 -1.37 -0.01 1.46 7.12 -1.00 -0.65 115.31 121.80 2jyq h LEU 83 Ca 0.18 0.16 -0.20 0.00 0.13 0.00 0.00 57.88 58.15 2jyq h LEU 83 Cb 0.47 0.53 0.02 0.00 -0.53 0.00 0.00 40.66 41.15 2jyq h LEU 83 CO 0.02 -0.48 -0.77 1.62 -0.13 0.00 0.00 178.44 178.70 2jyq h VAL 84 N -0.60 1.36 -0.99 1.05 3.04 -1.03 -1.19 116.25 117.89 2jyq h VAL 84 Ca 0.04 -2.12 0.03 0.00 -1.01 0.00 0.00 66.70 63.63 2jyq h VAL 84 Cb 0.67 2.47 -0.05 0.00 -2.01 0.00 0.00 31.29 32.37 2jyq h VAL 84 CO -0.33 0.64 0.66 0.00 -1.01 0.00 0.00 177.57 177.52 2jyq h ALA 85 N 0.37 1.33 0.03 3.17 0.00 -1.12 0.65 119.26 123.69 2jyq h ALA 85 Ca -0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 2jyq h ALA 85 Cb 1.45 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.89 2jyq h ALA 85 CO 0.15 0.60 -0.79 -0.92 0.00 0.00 0.00 179.25 178.29 2jyq h TYR 86 N 1.30 0.73 0.00 0.00 3.20 -1.06 -3.29 116.97 117.84 2jyq h TYR 86 Ca 0.38 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2jyq h TYR 86 Cb -0.06 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2jyq h TYR 86 CO -0.00 1.26 0.00 1.88 -1.64 0.00 0.00 178.16 179.66 2jyq h TYR 87 N -0.00 0.00 0.00 -3.82 -1.99 -0.99 0.40 116.97 110.56 2jyq h TYR 87 Ca -0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.62 2jyq h TYR 87 Cb 1.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.23 2jyq h TYR 87 CO 0.14 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.17 2jyq n SER 88 N -2.56 0.65 -0.00 3.88 3.41 0.20 -3.15 113.62 116.05 2jyq n SER 88 Ca 0.03 0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 59.27 2jyq n SER 88 Cb 0.36 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 2jyq n SER 88 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jyq n LYS 89 N -2.23 0.18 -3.28 4.33 5.02 -0.65 -4.32 118.16 117.22 2jyq n LYS 89 Ca 0.02 0.07 -0.46 0.00 -2.02 0.00 0.00 58.31 55.92 2jyq n LYS 89 Cb 0.22 -0.82 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 2jyq n LYS 89 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jyq s HIS 90 N -2.30 3.43 0.44 2.13 5.04 0.13 -4.91 115.29 119.24 2jyq s HIS 90 Ca -0.10 -1.55 0.12 0.00 -1.54 0.00 0.00 55.06 51.99 2jyq s HIS 90 Cb 0.02 -3.86 0.96 0.00 0.04 0.00 0.00 32.58 29.74 2jyq s HIS 90 CO 0.15 -1.06 2.00 0.00 -2.34 0.00 0.00 174.74 173.48 2jyq h ALA 91 N 8.46 1.69 -0.67 1.58 0.00 -1.80 -3.31 119.26 125.21 2jyq h ALA 91 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jyq h ALA 91 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jyq h ALA 91 CO 0.93 0.23 0.00 -3.47 0.00 0.00 0.00 179.25 176.94 2jyq n ASP 92 N -4.36 0.00 0.05 0.00 2.03 -1.26 -1.89 116.55 111.11 2jyq n ASP 92 Ca -0.01 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.10 2jyq n ASP 92 Cb 0.21 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.47 2jyq n ASP 92 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jyq h GLY 93 N 0.00 0.44 -4.06 0.27 0.00 -1.95 -3.45 103.07 94.31 2jyq h GLY 93 Ca 0.00 -0.98 -0.52 0.00 0.00 0.00 0.00 47.33 45.83 2jyq h GLY 93 CO 0.00 0.86 0.66 1.08 0.00 0.00 0.00 176.54 179.13 2jyq s LEU 94 N -8.00 4.42 0.55 3.11 1.02 -0.79 -4.90 118.68 114.09 2jyq s LEU 94 Ca -0.13 2.56 0.34 0.00 0.02 0.00 0.00 54.13 56.93 2jyq s LEU 94 Cb 0.02 -3.63 1.42 0.00 0.02 0.00 0.00 46.19 44.02 2jyq s LEU 94 CO 0.85 -0.54 2.00 0.00 0.02 0.00 0.00 176.35 178.68 2jyq s HIS 96 N -3.69 2.34 0.15 0.00 3.76 -1.26 -5.10 115.29 111.49 2jyq s HIS 96 Ca 0.01 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.15 2jyq s HIS 96 Cb 0.09 -1.51 -0.07 0.00 1.11 0.00 0.00 32.58 32.20 2jyq s HIS 96 CO 0.53 -0.06 1.14 1.03 -0.85 0.00 0.00 174.74 176.53 2jyq s ARG 97 N -0.56 4.53 -0.53 1.40 0.52 -1.26 -4.85 118.95 118.21 2jyq s ARG 97 Ca 0.09 1.75 -0.26 0.00 -0.52 0.00 0.00 55.73 56.79 2jyq s ARG 97 Cb -0.10 -3.29 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 2jyq s ARG 97 CO -0.01 -0.04 2.30 -0.51 0.02 0.00 0.00 175.30 177.06 2jyq s LEU 98 N 0.01 3.37 -0.07 2.53 1.43 -1.19 -4.77 118.68 119.99 2jyq s LEU 98 Ca 0.52 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.49 2jyq s LEU 98 Cb -0.30 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2jyq s LEU 98 CO 0.34 -2.81 -0.05 0.74 0.23 0.00 0.00 176.35 174.80 2jyq h THR 99 N 7.53 0.00 -3.88 5.49 2.02 -1.61 -3.41 112.91 119.05 2jyq h THR 99 Ca -0.24 -0.60 -0.27 0.00 0.77 0.00 0.00 66.41 66.08 2jyq h THR 99 Cb 1.24 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 67.39 2jyq h THR 99 CO 1.17 0.00 -0.73 0.54 0.37 0.00 0.00 175.52 176.87 2jyq s ASN 100 N -4.68 0.43 -0.04 4.18 2.20 -0.70 -5.01 114.94 111.32 2jyq s ASN 100 Ca -0.04 -0.22 -0.21 0.00 -0.94 0.00 0.00 52.86 51.45 2jyq s ASN 100 Cb 0.01 -0.00 -0.05 0.00 -2.00 0.00 0.00 41.25 39.21 2jyq s ASN 100 CO 0.06 -0.06 0.62 -0.69 -2.94 0.00 0.00 177.10 174.09 2jyq s VAL 101 N -0.53 4.99 0.12 3.54 1.01 -1.26 -0.68 120.40 127.59 2jyq s VAL 101 Ca -0.04 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.92 2jyq s VAL 101 Cb -0.04 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 2jyq s VAL 101 CO -0.00 0.34 1.56 0.00 0.00 0.00 0.00 175.10 177.00 2jyq s PRO 103 N 1.63 4.03 0.38 0.00 0.04 -1.26 -4.97 135.00 134.84 2jyq s PRO 103 Ca 0.70 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 2jyq s PRO 103 Cb -0.41 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 2jyq s PRO 103 CO 0.31 -0.26 0.64 -0.08 0.04 0.00 0.00 177.00 177.65 2jyq s THR 104 N -1.73 5.01 -0.05 1.26 -1.32 -1.26 -5.02 115.64 112.54 2jyq s THR 104 Ca 0.61 -0.08 0.18 0.00 -1.21 0.00 0.00 61.69 61.19 2jyq s THR 104 Cb -0.21 -3.83 0.34 0.00 -1.51 0.00 0.00 72.50 67.29 2jyq s THR 104 CO 0.26 -0.60 1.15 -1.20 -2.21 0.00 0.00 174.62 172.02 2jyq n SER 105 N -1.74 1.03 0.00 8.08 7.64 -1.26 -5.25 113.62 122.12 2jyq n SER 105 Ca -0.02 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.45 2jyq n SER 105 Cb 0.55 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2jyq n SER 105 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20