#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 0.68 -1.42 -1.58 0.00 -1.26 -4.95 120.51 111.98 2jyq n ALA 2 Ca 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 53.44 51.11 2jyq n ALA 2 Cb 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 2.38 -0.21 -0.12 0.00 -0.58 -1.26 -4.87 120.64 115.99 2jyq n GLU 3 Ca 0.21 -0.56 -0.06 0.00 -0.42 0.00 0.00 57.16 56.34 2jyq n GLU 3 Cb 0.54 -0.32 0.01 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 -0.13 0.00 3.49 4.39 -2.03 -2.62 114.58 117.69 2jyq h GLU 4 Ca -0.11 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2jyq h GLU 4 Cb 0.31 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2jyq h GLU 4 CO 0.08 -0.08 -0.78 0.11 -1.16 0.00 0.00 179.01 177.18 2jyq h TRP 5 N -0.13 0.00 -3.30 4.33 5.08 -1.95 -3.45 115.95 116.53 2jyq h TRP 5 Ca 0.19 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.56 2jyq h TRP 5 Cb 0.43 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.48 2jyq h TRP 5 CO -0.44 0.37 0.63 -0.47 -1.28 0.00 0.00 178.44 177.25 2jyq s TYR 6 N -3.05 2.79 -0.25 0.12 5.04 -0.99 -1.39 117.35 119.63 2jyq s TYR 6 Ca 0.02 0.13 0.21 0.00 -2.44 0.00 0.00 57.07 54.98 2jyq s TYR 6 Cb 0.08 -4.11 0.06 0.00 0.35 0.00 0.00 41.96 38.33 2jyq s TYR 6 CO 0.76 -1.33 1.17 0.35 -1.34 0.00 0.00 175.55 175.16 2jyq h PHE 7 N 9.30 0.00 0.00 4.97 3.57 -1.54 -3.34 116.94 129.89 2jyq h PHE 7 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2jyq h PHE 7 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2jyq h PHE 7 CO 0.92 0.17 0.00 0.41 -2.23 0.00 0.00 178.31 177.59 2jyq n GLY 8 N 1.21 -0.01 2.31 2.40 0.00 -1.25 -4.77 105.19 105.08 2jyq n GLY 8 Ca -0.01 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 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 0.00 3.41 -3.33 1.61 5.02 -1.26 -0.76 118.16 122.85 2jyq n LYS 9 Ca 0.00 -2.27 -0.38 0.00 -2.02 0.00 0.00 58.31 53.63 2jyq n LYS 9 Cb 0.00 -2.51 -0.06 0.00 -0.02 0.00 0.00 35.03 32.44 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 0.55 4.85 0.98 -0.18 -4.36 -1.26 -4.90 121.20 116.88 2jyq s ILE 10 Ca 0.64 1.11 -0.16 0.00 -0.26 0.00 0.00 60.65 61.98 2jyq s ILE 10 Cb 0.24 -3.85 0.20 0.00 1.25 0.00 0.00 42.46 40.30 2jyq s ILE 10 CO -0.08 0.54 1.29 0.42 0.24 0.00 0.00 174.94 177.36 2jyq s THR 11 N -0.96 1.95 0.18 8.37 -4.23 -1.26 -4.58 115.64 115.11 2jyq s THR 11 Ca 0.28 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 2jyq s THR 11 Cb -0.18 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.80 2jyq s THR 11 CO 0.17 0.00 1.74 -0.09 -0.54 0.00 0.00 174.62 175.91 2jyq h ARG 12 N -1.73 0.32 -0.32 3.99 2.43 -1.98 -2.31 114.38 114.79 2jyq h ARG 12 Ca -0.45 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 2jyq h ARG 12 Cb 1.25 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.68 2jyq h ARG 12 CO 0.39 0.21 0.06 -0.09 -1.51 0.00 0.00 179.97 179.03 2jyq h ARG 13 N 0.33 0.16 -0.62 0.20 2.43 -1.99 -1.38 114.38 113.51 2jyq h ARG 13 Ca 0.23 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2jyq h ARG 13 Cb 0.25 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2jyq h ARG 13 CO -0.24 0.11 0.41 0.93 -1.51 0.00 0.00 179.97 179.67 2jyq h GLU 14 N 0.17 0.81 0.23 0.20 4.39 -1.82 0.40 114.58 118.94 2jyq h GLU 14 Ca 0.15 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2jyq h GLU 14 Cb 0.17 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2jyq h GLU 14 CO -0.20 0.54 -0.11 1.03 -1.16 0.00 0.00 179.01 179.11 2jyq h SER 15 N 0.83 -0.26 0.54 1.42 0.87 -0.75 -2.75 113.55 113.46 2jyq h SER 15 Ca 0.23 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2jyq h SER 15 Cb -0.08 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2jyq h SER 15 CO -0.05 0.00 -0.47 -0.33 -0.53 0.00 0.00 176.83 175.45 2jyq h GLU 16 N -0.52 0.00 -1.01 2.24 5.08 -1.02 -2.19 114.58 117.16 2jyq h GLU 16 Ca -0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2jyq h GLU 16 Cb 0.39 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2jyq h GLU 16 CO 0.05 0.47 0.65 -0.09 -1.00 0.00 0.00 179.01 179.09 2jyq h ARG 17 N 0.00 1.18 0.02 2.33 2.43 -0.09 -1.04 114.38 119.21 2jyq h ARG 17 Ca -0.00 -0.07 -0.28 0.00 -0.81 0.00 0.00 59.98 58.81 2jyq h ARG 17 Cb 0.87 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 2jyq h ARG 17 CO 0.06 0.78 -1.60 -0.07 -1.51 0.00 0.00 179.97 177.63 2jyq h LEU 18 N 1.21 0.06 0.01 3.80 3.38 -1.30 -3.39 115.31 119.09 2jyq h LEU 18 Ca 0.42 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 58.05 2jyq h LEU 18 Cb 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2jyq h LEU 18 CO -0.16 1.10 -1.20 -0.07 0.09 0.00 0.00 178.44 178.20 2jyq h LEU 19 N 0.01 0.05 -1.66 1.67 3.38 -1.12 -3.26 115.31 114.37 2jyq h LEU 19 Ca -0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jyq h LEU 19 Cb 1.97 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2jyq h LEU 19 CO 0.09 1.05 0.00 0.18 0.09 0.00 0.00 178.44 179.85 2jyq n LEU 20 N -3.30 2.04 -4.59 1.67 7.99 -0.42 -4.70 117.00 115.69 2jyq n LEU 20 Ca -0.05 -1.02 -0.38 0.00 -0.01 0.00 0.00 56.01 54.55 2jyq n LEU 20 Cb 0.97 -0.44 -0.11 0.00 -0.11 0.00 0.00 43.42 43.74 2jyq n LEU 20 CO 0.47 0.36 -0.12 0.20 -1.51 0.00 0.00 177.39 176.79 2jyq s ASN 21 N 0.62 6.07 0.00 -1.43 0.01 -1.23 -4.97 114.94 114.01 2jyq s ASN 21 Ca 0.00 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.23 2jyq s ASN 21 Cb 0.00 -2.14 0.18 0.00 0.41 0.00 0.00 41.25 39.71 2jyq s ASN 21 CO 0.00 -0.08 0.84 -0.81 -1.51 0.00 0.00 177.10 175.55 2jyq n PRO 22 N 5.11 0.07 0.06 -0.60 -0.04 -1.26 -1.19 135.00 137.15 2jyq n PRO 22 Ca -0.13 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 2jyq n PRO 22 Cb 0.52 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.96 2jyq n PRO 22 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jyq n GLU 23 N -1.18 0.14 -2.87 0.54 1.02 -1.26 -4.76 120.64 112.27 2jyq n GLU 23 Ca 0.02 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 2jyq n GLU 23 Cb 0.02 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.72 2jyq n GLU 23 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jyq s ASN 24 N -3.83 7.01 0.47 1.62 0.01 -0.33 -5.05 114.94 114.84 2jyq s ASN 24 Ca 0.10 1.24 -0.20 0.00 -0.71 0.00 0.00 52.86 53.30 2jyq s ASN 24 Cb 0.14 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.24 2jyq s ASN 24 CO 0.51 -0.38 0.99 -2.16 -1.51 0.00 0.00 177.10 174.56 2jyq s PRO 25 N 1.98 3.98 -0.20 -0.60 0.04 -1.26 -4.97 135.00 133.97 2jyq s PRO 25 Ca 0.40 1.18 -0.32 0.00 0.04 0.00 0.00 61.00 62.30 2jyq s PRO 25 Cb -0.17 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2jyq s PRO 25 CO 0.14 -0.26 2.11 -2.13 0.04 0.00 0.00 177.00 176.90 2jyq n ARG 26 N -0.99 1.86 0.00 4.56 0.63 -1.26 -1.93 116.66 119.53 2jyq n ARG 26 Ca 0.08 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2jyq n ARG 26 Cb 0.53 -2.86 0.00 0.00 0.45 0.00 0.00 32.46 30.58 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 5.53 1.49 3.61 5.14 0.00 -1.17 -4.95 105.19 114.84 2jyq n GLY 27 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 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 4.58 0.28 2.61 2.01 -0.81 -2.06 115.64 120.25 2jyq s THR 28 Ca 0.00 1.30 0.09 0.00 0.31 0.00 0.00 61.69 63.40 2jyq s THR 28 Cb 0.00 -4.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2jyq s THR 28 CO 0.00 -0.51 -0.13 0.72 -0.69 0.00 0.00 174.62 174.01 2jyq s PHE 29 N 3.49 2.14 -0.27 4.92 -0.71 0.35 0.40 117.98 128.30 2jyq s PHE 29 Ca 0.39 -0.51 -0.14 0.00 -1.04 0.00 0.00 56.93 55.63 2jyq s PHE 29 Cb -0.12 -1.09 0.09 0.00 -1.21 0.00 0.00 43.02 40.68 2jyq s PHE 29 CO 0.18 0.51 0.66 -0.48 -1.34 0.00 0.00 175.22 174.75 2jyq s LEU 30 N -3.49 -0.90 -0.25 -1.99 2.34 0.68 -0.24 118.68 114.83 2jyq s LEU 30 Ca 0.29 1.47 -0.15 0.00 0.06 0.00 0.00 54.13 55.80 2jyq s LEU 30 Cb -0.00 2.28 -0.04 0.00 -0.56 0.00 0.00 46.19 47.87 2jyq s LEU 30 CO 0.13 -0.23 0.40 0.54 -1.06 0.00 0.00 176.35 176.13 2jyq s VAL 31 N 1.81 5.16 0.26 1.48 0.11 -0.48 -1.36 120.40 127.38 2jyq s VAL 31 Ca -0.09 0.64 0.08 0.00 -2.93 0.00 0.00 61.98 59.68 2jyq s VAL 31 Cb -0.06 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 2jyq s VAL 31 CO -0.19 0.17 0.12 0.00 -3.33 0.00 0.00 175.10 171.86 2jyq s ARG 32 N 1.95 2.67 -0.04 1.54 1.70 0.12 -1.54 118.95 125.35 2jyq s ARG 32 Ca 0.17 -1.20 -0.16 0.00 -0.47 0.00 0.00 55.73 54.06 2jyq s ARG 32 Cb -0.16 -2.40 -0.05 0.00 -0.57 0.00 0.00 34.95 31.77 2jyq s ARG 32 CO 0.09 0.38 0.44 -2.00 -1.08 0.00 0.00 175.30 173.13 2jyq s GLU 33 N -3.78 4.11 -0.55 3.89 2.12 0.06 0.07 118.70 124.62 2jyq s GLU 33 Ca 0.32 0.43 -0.17 0.00 0.36 0.00 0.00 54.97 55.91 2jyq s GLU 33 Cb -0.07 -3.31 0.11 0.00 0.26 0.00 0.00 34.13 31.12 2jyq s GLU 33 CO 0.23 0.48 0.58 0.45 -0.54 0.00 0.00 175.26 176.46 2jyq s SER 34 N -0.40 6.19 0.42 -1.70 0.15 -0.69 -4.25 113.70 113.41 2jyq s SER 34 Ca 0.24 -1.52 0.16 0.00 0.70 0.00 0.00 55.95 55.53 2jyq s SER 34 Cb -0.16 -2.25 1.04 0.00 -1.71 0.00 0.00 66.02 62.94 2jyq s SER 34 CO 0.12 -0.94 1.89 1.05 1.20 0.00 0.00 173.24 176.56 2jyq h GLU 35 N 9.00 0.43 -0.82 5.44 4.11 -1.94 -1.67 114.58 129.13 2jyq h GLU 35 Ca -0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2jyq h GLU 35 Cb 1.10 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jyq h GLU 35 CO 1.04 0.28 0.00 0.25 0.07 0.00 0.00 179.01 180.65 2jyq n THR 36 N -4.50 0.86 -3.67 -1.06 -2.24 -1.26 -4.65 114.28 97.76 2jyq n THR 36 Ca 0.17 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 2jyq n THR 36 Cb 0.59 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.58 -0.38 -0.49 4.28 2.01 -0.63 -5.11 115.64 113.73 2jyq s THR 37 Ca 0.18 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.04 2jyq s THR 37 Cb 0.13 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 2jyq s THR 37 CO 0.06 0.06 1.75 -0.54 -0.69 0.00 0.00 174.62 175.26 2jyq s LYS 38 N 2.10 3.02 0.00 4.92 1.02 -1.26 -2.66 119.74 126.88 2jyq s LYS 38 Ca -0.05 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.84 2jyq s LYS 38 Cb -0.10 -4.26 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 2jyq s LYS 38 CO -0.13 -2.25 0.00 0.41 -0.92 0.00 0.00 175.35 172.46 2jyq n GLY 39 N 5.50 0.76 3.54 -3.33 0.00 -1.26 -4.78 105.19 105.62 2jyq n GLY 39 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.34 3.46 0.40 4.61 0.00 -1.09 -3.42 121.76 123.39 2jyq s ALA 40 Ca 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.87 2jyq s ALA 40 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 2jyq s ALA 40 CO 0.00 -1.28 0.42 0.71 0.00 0.00 0.00 175.76 175.61 2jyq s TYR 41 N 2.27 2.77 -0.21 0.00 2.02 0.09 -1.70 117.35 122.59 2jyq s TYR 41 Ca 0.16 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2jyq s TYR 41 Cb -0.16 -2.17 0.06 0.00 -0.40 0.00 0.00 41.96 39.29 2jyq s TYR 41 CO 0.13 -0.16 0.03 0.00 -1.57 0.00 0.00 175.55 173.99 2jyq s LEU 43 N 1.79 4.12 -0.06 0.00 1.98 0.96 -0.70 118.68 126.77 2jyq s LEU 43 Ca -0.00 -2.16 -0.29 0.00 -2.89 0.00 0.00 54.13 48.79 2jyq s LEU 43 Cb -0.17 -2.52 -0.02 0.00 0.66 0.00 0.00 46.19 44.14 2jyq s LEU 43 CO -0.10 -1.19 0.94 -0.55 -1.89 0.00 0.00 176.35 173.56 2jyq s SER 44 N 4.15 7.24 -0.02 3.68 0.15 -0.46 -2.08 113.70 126.35 2jyq s SER 44 Ca 0.46 1.51 0.05 0.00 0.70 0.00 0.00 55.95 58.68 2jyq s SER 44 Cb 0.00 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2jyq s SER 44 CO -0.02 -0.32 -0.18 0.54 1.20 0.00 0.00 173.24 174.46 2jyq s VAL 45 N 1.43 1.47 -0.22 4.45 0.11 -0.72 -0.23 120.40 126.70 2jyq s VAL 45 Ca 0.48 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.45 2jyq s VAL 45 Cb -0.19 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 2jyq s VAL 45 CO 0.22 0.42 1.13 -0.55 -3.33 0.00 0.00 175.10 172.99 2jyq s SER 46 N -0.30 7.01 0.20 3.54 0.15 0.16 -0.14 113.70 124.33 2jyq s SER 46 Ca 0.04 1.45 -0.02 0.00 0.70 0.00 0.00 55.95 58.11 2jyq s SER 46 Cb -0.09 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 2jyq s SER 46 CO 0.00 -0.74 0.41 -0.62 1.20 0.00 0.00 173.24 173.50 2jyq s ASP 47 N 1.57 6.42 -0.21 5.45 2.15 0.61 -3.05 116.67 129.60 2jyq s ASP 47 Ca 0.48 0.50 -0.03 0.00 0.43 0.00 0.00 52.55 53.93 2jyq s ASP 47 Cb -0.17 -2.05 0.07 0.00 -0.30 0.00 0.00 42.92 40.47 2jyq s ASP 47 CO 0.10 -0.05 0.06 0.12 -0.17 0.00 0.00 175.17 175.24 2jyq s PHE 48 N -1.85 0.87 0.04 -5.34 2.19 -1.26 0.46 117.98 113.09 2jyq s PHE 48 Ca 0.40 -0.86 -0.18 0.00 0.33 0.00 0.00 56.93 56.62 2jyq s PHE 48 Cb -0.11 -1.03 -0.06 0.00 -1.31 0.00 0.00 43.02 40.51 2jyq s PHE 48 CO 0.28 -0.65 0.51 0.34 1.83 0.00 0.00 175.22 177.53 2jyq s ASP 49 N 1.91 6.97 0.00 6.13 -1.08 0.54 -4.96 116.67 126.18 2jyq s ASP 49 Ca 0.02 1.15 0.30 0.00 -0.52 0.00 0.00 52.55 53.49 2jyq s ASP 49 Cb -0.17 -2.32 1.43 0.00 -1.46 0.00 0.00 42.92 40.40 2jyq s ASP 49 CO -0.13 0.29 1.97 0.59 0.52 0.00 0.00 175.17 178.40 2jyq n ASN 50 N 1.79 0.54 0.01 -0.34 3.02 -1.26 -1.92 115.26 117.09 2jyq n ASN 50 Ca -0.12 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2jyq n ASN 50 Cb 0.51 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2jyq n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jyq n ALA 51 N -0.72 3.00 0.08 5.41 0.00 -1.26 -4.83 120.51 122.20 2jyq n ALA 51 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jyq n ALA 51 Cb 0.24 0.46 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 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 1.79 -1.99 -3.50 116.57 112.87 2jyq h LYS 52 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jyq h LYS 52 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2jyq h LYS 52 CO 0.00 0.45 0.00 0.41 -1.08 0.00 0.00 179.45 179.23 2jyq n GLY 53 N 1.31 -0.38 3.79 3.86 0.00 -0.81 -4.98 105.19 107.99 2jyq n GLY 53 Ca -0.04 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.41 2jyq n GLY 53 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jyq s LEU 54 N 0.00 4.19 0.34 0.99 2.34 -1.26 -0.34 118.68 124.94 2jyq s LEU 54 Ca 0.00 1.82 0.06 0.00 0.06 0.00 0.00 54.13 56.07 2jyq s LEU 54 Cb 0.00 -4.19 -0.03 0.00 -0.56 0.00 0.00 46.19 41.41 2jyq s LEU 54 CO 0.00 -0.22 0.22 0.20 -1.06 0.00 0.00 176.35 175.50 2jyq s ASN 55 N -1.77 1.88 -0.10 1.48 0.01 0.17 -4.92 114.94 111.69 2jyq s ASN 55 Ca 0.55 -1.71 0.03 0.00 -0.71 0.00 0.00 52.86 51.02 2jyq s ASN 55 Cb -0.16 0.53 0.01 0.00 0.41 0.00 0.00 41.25 42.03 2jyq s ASN 55 CO 0.21 -1.01 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.89 2jyq s VAL 56 N -3.44 1.85 -0.53 1.60 1.01 -1.26 -0.28 120.40 119.35 2jyq s VAL 56 Ca 0.36 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2jyq s VAL 56 Cb 0.03 -1.62 0.14 0.00 0.00 0.00 0.00 36.38 34.92 2jyq s VAL 56 CO 0.23 0.51 0.35 -0.75 0.00 0.00 0.00 175.10 175.44 2jyq s LYS 57 N 0.54 2.39 -0.94 2.72 2.20 0.81 -4.90 119.74 122.55 2jyq s LYS 57 Ca -0.15 -2.14 -0.24 0.00 -0.36 0.00 0.00 55.97 53.08 2jyq s LYS 57 Cb -0.17 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.43 2jyq s LYS 57 CO 0.05 -1.15 1.58 -1.01 -0.36 0.00 0.00 175.35 174.46 2jyq s HIS 58 N 0.62 2.28 0.18 4.03 3.76 -1.26 -1.75 115.29 123.15 2jyq s HIS 58 Ca 0.12 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.42 2jyq s HIS 58 Cb -0.22 -4.50 -0.08 0.00 1.11 0.00 0.00 32.58 28.90 2jyq s HIS 58 CO -0.04 -1.92 1.01 0.71 -0.85 0.00 0.00 174.74 173.65 2jyq s TYR 59 N 6.54 3.78 -0.15 1.40 2.02 -0.88 -4.95 117.35 125.11 2jyq s TYR 59 Ca 0.52 1.77 -0.05 0.00 -0.37 0.00 0.00 57.07 58.93 2jyq s TYR 59 Cb -0.03 -3.12 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 2jyq s TYR 59 CO -0.03 -0.02 0.04 0.15 -1.57 0.00 0.00 175.55 174.11 2jyq s LYS 60 N -0.59 3.62 -0.59 -0.62 1.02 -1.26 -0.03 119.74 121.29 2jyq s LYS 60 Ca 0.46 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.98 2jyq s LYS 60 Cb -0.27 -3.06 0.15 0.00 -0.52 0.00 0.00 37.83 34.13 2jyq s LYS 60 CO 0.33 0.44 0.50 0.42 -0.92 0.00 0.00 175.35 176.12 2jyq s ILE 61 N -0.12 4.73 -0.00 2.17 1.01 0.20 -4.38 121.20 124.81 2jyq s ILE 61 Ca 0.06 -2.03 -0.21 0.00 0.00 0.00 0.00 60.65 58.46 2jyq s ILE 61 Cb -0.12 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2jyq s ILE 61 CO 0.01 -0.87 0.62 -0.60 0.00 0.00 0.00 174.94 174.10 2jyq s ARG 62 N 0.95 4.35 -0.07 2.79 3.52 -1.09 -0.73 118.95 128.66 2jyq s ARG 62 Ca 0.09 0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 56.20 2jyq s ARG 62 Cb -0.23 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 2jyq s ARG 62 CO -0.02 0.34 0.89 0.21 -0.81 0.00 0.00 175.30 175.91 2jyq s LYS 63 N -0.13 4.45 -0.34 5.12 2.20 -1.22 -3.13 119.74 126.68 2jyq s LYS 63 Ca 0.32 1.21 -0.13 0.00 -0.36 0.00 0.00 55.97 57.01 2jyq s LYS 63 Cb -0.18 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2jyq s LYS 63 CO 0.18 -0.14 0.26 -0.51 -0.36 0.00 0.00 175.35 174.78 2jyq s LEU 64 N 1.41 4.52 0.55 5.43 1.43 0.16 -4.94 118.68 127.24 2jyq s LEU 64 Ca 0.45 -0.40 0.27 0.00 -1.03 0.00 0.00 54.13 53.42 2jyq s LEU 64 Cb -0.19 -2.16 1.60 0.00 0.03 0.00 0.00 46.19 45.47 2jyq s LEU 64 CO 0.20 -0.25 2.16 0.44 0.23 0.00 0.00 176.35 179.14 2jyq h ASP 65 N 8.49 0.00 -0.70 2.29 5.19 -1.96 -0.97 116.42 128.75 2jyq h ASP 65 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2jyq h ASP 65 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2jyq h ASP 65 CO 0.64 0.06 0.00 -1.20 -3.12 0.00 0.00 179.24 175.62 2jyq n SER 66 N -3.85 4.11 0.00 6.45 7.64 -1.26 -4.92 113.62 121.79 2jyq n SER 66 Ca -0.03 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.72 2jyq n SER 66 Cb 0.15 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.50 0.30 0.00 0.23 0.00 -0.39 -5.18 105.19 101.65 2jyq n GLY 67 Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 3.22 3.46 -0.02 0.00 -1.11 -4.86 105.19 105.88 2jyq n GLY 68 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 0.45 2.70 -0.07 1.61 0.08 0.90 0.38 117.98 124.02 2jyq s PHE 69 Ca 0.00 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 2jyq s PHE 69 Cb 0.00 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2jyq s PHE 69 CO 0.00 0.12 0.27 1.52 -0.10 0.00 0.00 175.22 177.04 2jyq s TYR 70 N -0.58 -0.24 -0.18 0.36 1.13 -1.19 -1.64 117.35 115.02 2jyq s TYR 70 Ca 0.08 0.55 0.04 0.00 -1.41 0.00 0.00 57.07 56.33 2jyq s TYR 70 Cb -0.11 0.09 -0.22 0.00 -1.10 0.00 0.00 41.96 40.61 2jyq s TYR 70 CO 0.01 -0.22 0.13 -0.89 -2.51 0.00 0.00 175.55 172.07 2jyq n ILE 71 N 2.39 1.58 -4.20 -3.49 5.41 -1.26 -2.67 119.36 117.12 2jyq n ILE 71 Ca -0.16 -0.68 -0.17 0.00 1.00 0.00 0.00 62.75 62.74 2jyq n ILE 71 Cb 0.57 -1.28 -0.12 0.00 -0.71 0.00 0.00 39.64 38.10 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 -2.54 0.94 0.00 1.39 -1.32 -1.26 -4.74 115.64 108.11 2jyq s THR 72 Ca -0.22 -1.10 -0.04 0.00 -1.21 0.00 0.00 61.69 59.11 2jyq s THR 72 Cb 0.08 -0.91 -0.18 0.00 -1.51 0.00 0.00 72.50 69.98 2jyq s THR 72 CO 0.72 -0.17 3.00 -1.54 -2.21 0.00 0.00 174.62 174.42 2jyq n SER 73 N 1.60 4.99 0.06 8.08 3.41 -1.26 -3.75 113.62 126.74 2jyq n SER 73 Ca -0.20 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 2jyq n SER 73 Cb 0.55 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 2.23 0.00 -4.44 4.33 5.12 -1.26 -5.07 116.66 117.57 2jyq n ARG 74 Ca 0.29 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.87 2jyq n ARG 74 Cb 0.75 -0.27 -0.11 0.00 -1.16 0.00 0.00 32.46 31.67 2jyq n ARG 74 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2jyq s THR 75 N -1.73 3.93 -0.04 0.55 2.01 -1.25 -5.11 115.64 114.01 2jyq s THR 75 Ca 0.00 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2jyq s THR 75 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2jyq s THR 75 CO 0.00 0.53 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.23 2jyq s GLN 76 N -0.05 1.38 0.20 4.92 -0.21 -1.26 -4.60 119.66 120.03 2jyq s GLN 76 Ca 0.02 -0.45 0.11 0.00 0.02 0.00 0.00 55.36 55.06 2jyq s GLN 76 Cb -0.13 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 2jyq s GLN 76 CO 0.03 0.17 -0.22 -0.06 -2.12 0.00 0.00 175.29 173.08 2jyq s PHE 77 N 0.15 2.19 -1.38 0.91 0.08 -0.65 -4.94 117.98 114.35 2jyq s PHE 77 Ca -0.04 -0.38 0.24 0.00 0.12 0.00 0.00 56.93 56.87 2jyq s PHE 77 Cb -0.10 -1.06 0.37 0.00 -0.57 0.00 0.00 43.02 41.65 2jyq s PHE 77 CO 0.01 0.50 1.32 -1.13 -0.10 0.00 0.00 175.22 175.82 2jyq n SER 78 N 0.13 0.98 -4.03 1.36 3.41 -1.26 -0.07 113.62 114.13 2jyq n SER 78 Ca -0.11 -0.77 -0.19 0.00 -0.26 0.00 0.00 58.87 57.53 2jyq n SER 78 Cb 0.57 0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 64.76 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 -2.77 1.15 0.43 4.04 1.04 -1.26 -4.81 113.70 111.51 2jyq s SER 79 Ca 0.16 -0.18 0.20 0.00 0.48 0.00 0.00 55.95 56.61 2jyq s SER 79 Cb 0.18 -0.16 0.96 0.00 0.10 0.00 0.00 66.02 67.10 2jyq s SER 79 CO 0.66 0.11 1.88 -0.07 0.98 0.00 0.00 173.24 176.79 2jyq h LEU 80 N 5.99 0.00 -0.22 2.42 3.38 -1.97 -1.86 115.31 123.04 2jyq h LEU 80 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2jyq h LEU 80 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2jyq h LEU 80 CO 0.49 0.28 0.10 -0.61 0.09 0.00 0.00 178.44 178.79 2jyq h GLN 81 N 0.00 0.33 0.00 1.13 5.75 -2.00 -1.73 115.11 118.59 2jyq h GLN 81 Ca -0.00 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 2jyq h GLN 81 Cb 0.64 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 2jyq h GLN 81 CO 0.04 0.36 -0.56 1.96 -2.65 0.00 0.00 178.83 177.98 2jyq h GLN 82 N 0.22 0.00 0.55 1.69 1.08 -1.94 -1.87 115.11 114.84 2jyq h GLN 82 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2jyq h GLN 82 Cb 0.15 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2jyq h GLN 82 CO -0.01 0.56 -0.39 1.25 -0.95 0.00 0.00 178.83 179.29 2jyq h LEU 83 N 0.00 -1.02 -0.43 1.46 7.12 -1.05 -1.54 115.31 119.85 2jyq h LEU 83 Ca -0.01 0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 2jyq h LEU 83 Cb 0.99 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2jyq h LEU 83 CO 0.07 -0.57 0.12 -0.37 -0.13 0.00 0.00 178.44 177.56 2jyq h VAL 84 N -0.90 1.23 -0.56 1.05 -1.51 -1.32 -1.31 116.25 112.93 2jyq h VAL 84 Ca -0.07 -0.77 0.09 0.00 -1.23 0.00 0.00 66.70 64.72 2jyq h VAL 84 Cb 0.74 0.92 -0.07 0.00 -2.13 0.00 0.00 31.29 30.75 2jyq h VAL 84 CO 0.04 0.27 0.19 0.00 -1.23 0.00 0.00 177.57 176.84 2jyq h ALA 85 N 0.97 0.70 -0.13 5.19 0.00 -1.36 -0.31 119.26 124.31 2jyq h ALA 85 Ca 0.14 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 2jyq h ALA 85 Cb 0.29 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jyq h ALA 85 CO -0.00 -0.22 -0.82 -0.92 0.00 0.00 0.00 179.25 177.29 2jyq h TYR 86 N 0.36 1.07 0.00 0.00 3.20 -1.12 -3.06 116.97 117.41 2jyq h TYR 86 Ca 0.28 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2jyq h TYR 86 Cb 0.34 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2jyq h TYR 86 CO -0.18 1.32 0.00 0.66 -1.64 0.00 0.00 178.16 178.32 2jyq n TYR 87 N -3.92 0.00 0.09 -3.82 4.02 -0.51 0.03 117.16 113.04 2jyq n TYR 87 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.79 2jyq n TYR 87 Cb 0.77 -0.19 -0.05 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.96 -1.41 113.55 119.77 2jyq h SER 88 Ca 0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 2jyq h SER 88 Cb 0.13 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 2jyq h SER 88 CO 0.00 0.71 -2.08 0.29 -0.53 0.00 0.00 176.83 175.22 2jyq n LYS 89 N -3.20 0.58 -3.99 2.24 5.02 0.09 -4.50 118.16 114.41 2jyq n LYS 89 Ca -0.02 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.35 2jyq n LYS 89 Cb 0.84 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.46 2.05 -0.17 2.13 3.76 0.10 -5.01 115.29 115.70 2jyq s HIS 90 Ca -0.35 -1.17 0.29 0.00 -0.15 0.00 0.00 55.06 53.68 2jyq s HIS 90 Cb 0.12 -1.53 1.18 0.00 1.11 0.00 0.00 32.58 33.46 2jyq s HIS 90 CO 0.53 -0.65 1.86 0.00 -0.85 0.00 0.00 174.74 175.63 2jyq h ALA 91 N 8.07 1.00 -0.14 -1.40 0.00 -1.81 -3.27 119.26 121.71 2jyq h ALA 91 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jyq h ALA 91 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jyq h ALA 91 CO 0.50 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.28 2jyq n ASP 92 N -2.71 0.00 -0.02 0.00 2.03 -1.26 -1.61 116.55 112.98 2jyq n ASP 92 Ca 0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 2jyq n ASP 92 Cb 0.28 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.14 3.49 0.27 0.00 -1.26 -5.04 105.19 102.51 2jyq n GLY 93 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.65 0.77 -0.01 0.99 1.02 -0.64 -5.00 118.68 111.17 2jyq s LEU 94 Ca -0.04 1.46 0.04 0.00 0.02 0.00 0.00 54.13 55.62 2jyq s LEU 94 Cb 0.01 -3.36 -0.06 0.00 0.02 0.00 0.00 46.19 42.80 2jyq s LEU 94 CO 0.14 -4.22 0.07 0.00 0.02 0.00 0.00 176.35 172.36 2jyq h HIS 96 N 0.00 0.13 -3.08 0.00 3.86 -1.96 -3.50 115.15 110.60 2jyq h HIS 96 Ca -0.03 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2jyq h HIS 96 Cb 0.47 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2jyq h HIS 96 CO 0.00 1.15 -0.66 0.54 0.86 0.00 0.00 177.93 179.82 2jyq n ARG 97 N -3.21 -3.74 -1.62 2.45 1.74 -1.26 -4.76 116.66 106.25 2jyq n ARG 97 Ca -0.15 2.75 -0.39 0.00 -0.77 0.00 0.00 57.85 59.29 2jyq n ARG 97 Cb 1.03 -2.90 -0.03 0.00 -1.02 0.00 0.00 32.46 29.54 2jyq n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jyq s LEU 98 N -1.00 3.42 -0.07 0.55 1.43 -0.53 -4.82 118.68 117.66 2jyq s LEU 98 Ca 0.00 1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.41 2jyq s LEU 98 Cb 0.00 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2jyq s LEU 98 CO 0.00 -2.44 -0.11 0.41 0.23 0.00 0.00 176.35 174.43 2jyq n THR 99 N 7.84 0.58 -4.12 5.49 -1.04 -1.01 -4.32 114.28 117.70 2jyq n THR 99 Ca 0.32 0.37 -0.16 0.00 -2.04 0.00 0.00 64.05 62.54 2jyq n THR 99 Cb 0.50 -1.85 -0.12 0.00 -1.82 0.00 0.00 70.33 67.05 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 -4.61 1.32 0.17 8.00 2.20 -0.87 -5.04 114.94 116.10 2jyq s ASN 100 Ca -0.09 -0.59 -0.14 0.00 -0.94 0.00 0.00 52.86 51.09 2jyq s ASN 100 Cb 0.01 -0.01 -0.07 0.00 -2.00 0.00 0.00 41.25 39.18 2jyq s ASN 100 CO 0.14 -0.14 0.57 -0.69 -2.94 0.00 0.00 177.10 174.04 2jyq s VAL 101 N -1.35 4.84 0.07 3.54 1.01 -1.26 -0.50 120.40 126.76 2jyq s VAL 101 Ca -0.05 0.82 -0.37 0.00 0.00 0.00 0.00 61.98 62.37 2jyq s VAL 101 Cb -0.10 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.38 2jyq s VAL 101 CO 0.01 0.19 1.26 0.00 0.00 0.00 0.00 175.10 176.56 2jyq s PRO 103 N 0.31 2.89 0.05 0.00 0.02 -1.26 -5.02 135.00 131.99 2jyq s PRO 103 Ca 0.85 1.70 -0.21 0.00 0.02 0.00 0.00 61.00 63.36 2jyq s PRO 103 Cb -1.02 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 31.51 2jyq s PRO 103 CO 0.49 -1.24 0.62 0.95 -0.33 0.00 0.00 177.00 177.49 2jyq s THR 104 N -1.81 4.75 -1.12 0.99 -4.23 -1.26 -4.96 115.64 108.00 2jyq s THR 104 Ca 0.74 1.31 0.10 0.00 -1.18 0.00 0.00 61.69 62.67 2jyq s THR 104 Cb -0.27 -3.95 0.45 0.00 1.34 0.00 0.00 72.50 70.06 2jyq s THR 104 CO 0.35 0.49 1.27 -1.54 -0.54 0.00 0.00 174.62 174.65 2jyq n SER 105 N 2.14 3.22 0.00 3.99 3.41 -1.26 -5.27 113.62 119.85 2jyq n SER 105 Ca -0.08 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 2jyq n SER 105 Cb 0.51 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2jyq n SER 105 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05