#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1we9 s SER 2 N 0.00 -0.32 0.11 1.61 0.01 -1.26 -5.06 113.70 108.80 1we9 s SER 2 Ca 0.00 0.91 -0.26 0.00 1.31 0.00 0.00 55.95 57.90 1we9 s SER 2 Cb 0.00 1.02 -0.08 0.00 0.21 0.00 0.00 66.02 67.18 1we9 s SER 2 CO 0.00 -0.21 1.64 0.77 0.41 0.00 0.00 173.24 175.85 1we9 h SER 3 N 7.71 -0.71 0.00 2.44 4.64 -2.11 -3.47 113.55 122.05 1we9 h SER 3 Ca -0.25 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1we9 h SER 3 Cb 1.14 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1we9 h SER 3 CO 0.20 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 1we9 n GLY 4 N -1.37 0.82 3.54 -0.77 0.00 -1.26 -4.46 105.19 101.69 1we9 n GLY 4 Ca -0.06 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1we9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1we9 n SER 5 N -2.74 1.70 -4.71 1.61 7.64 -1.26 -4.83 113.62 111.04 1we9 n SER 5 Ca 0.00 -0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.14 1we9 n SER 5 Cb 0.00 -1.40 -0.07 0.00 -1.01 0.00 0.00 64.21 61.73 1we9 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1we9 s SER 6 N 11.18 6.44 0.10 6.43 0.15 -1.26 -4.82 113.70 131.92 1we9 s SER 6 Ca 1.09 0.52 0.00 0.00 0.70 0.00 0.00 55.95 58.25 1we9 s SER 6 Cb -0.47 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1we9 s SER 6 CO 0.32 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1we9 n GLY 7 N 3.57 -5.54 3.52 9.45 0.00 -1.26 -4.16 105.19 110.77 1we9 n GLY 7 Ca -0.11 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1we9 n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1we9 s GLN 8 N -0.72 3.11 -0.02 1.61 -0.21 -1.26 -4.55 119.66 117.62 1we9 s GLN 8 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 1we9 s GLN 8 Cb 0.00 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 1we9 s GLN 8 CO 0.00 0.47 1.16 0.00 -2.12 0.00 0.00 175.29 174.80 1we9 h GLY 10 N 7.59 1.14 0.28 0.00 0.00 -1.98 1.85 103.07 111.95 1we9 h GLY 10 Ca -0.37 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1we9 h GLY 10 CO 0.84 0.33 -0.51 0.00 0.00 0.00 0.00 176.54 177.21 1we9 h ALA 11 N 1.33 -1.06 0.00 3.60 0.00 -1.92 -3.40 119.26 117.81 1we9 h ALA 11 Ca 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1we9 h ALA 11 Cb -0.01 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1we9 h ALA 11 CO -0.11 -1.14 -1.15 0.00 0.00 0.00 0.00 179.25 176.85 1we9 n GLY 13 N 3.06 0.86 3.94 0.00 0.00 0.63 -4.88 105.19 108.80 1we9 n GLY 13 Ca -0.05 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 1we9 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1we9 s GLU 14 N -2.68 1.94 0.70 1.61 2.02 -1.26 -4.66 118.70 116.38 1we9 s GLU 14 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1we9 s GLU 14 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1we9 s GLU 14 CO 0.00 -1.39 1.07 -1.12 0.02 0.00 0.00 175.26 173.84 1we9 s SER 15 N -4.59 5.38 -0.74 -0.19 0.01 -1.26 -4.36 113.70 107.94 1we9 s SER 15 Ca 0.63 1.41 -0.28 0.00 1.31 0.00 0.00 55.95 59.01 1we9 s SER 15 Cb -0.09 -2.28 -0.18 0.00 0.21 0.00 0.00 66.02 63.68 1we9 s SER 15 CO 0.45 -1.42 2.16 0.00 0.41 0.00 0.00 173.24 174.84 1we9 n TYR 16 N -3.09 0.58 -3.63 2.43 9.36 -1.26 -4.85 117.16 116.69 1we9 n TYR 16 Ca 0.07 0.39 -0.37 0.00 3.32 0.00 0.00 57.90 61.31 1we9 n TYR 16 Cb 0.55 -1.98 -0.10 0.00 -0.63 0.00 0.00 39.34 37.18 1we9 n TYR 16 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1we9 s ALA 17 N 6.98 3.55 -0.25 2.98 0.00 -1.26 -4.96 121.76 128.80 1we9 s ALA 17 Ca 1.11 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 1we9 s ALA 17 Cb -1.10 -2.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 1we9 s ALA 17 CO 0.44 -0.39 -0.16 0.00 0.00 0.00 0.00 175.76 175.66 1we9 n ALA 18 N 4.70 1.19 -0.78 0.00 0.00 -1.26 -4.42 120.51 119.94 1we9 n ALA 18 Ca -0.15 -0.97 -0.08 0.00 0.00 0.00 0.00 53.44 52.24 1we9 n ALA 18 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1we9 n ALA 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1we9 n ASP 19 N -3.87 5.61 -3.97 0.00 8.00 -1.26 -4.81 116.55 116.25 1we9 n ASP 19 Ca -0.46 -2.61 -0.12 0.00 0.71 0.00 0.00 54.79 52.31 1we9 n ASP 19 Cb 0.91 -1.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.68 1we9 n ASP 19 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1we9 s GLU 20 N -0.19 0.31 -0.63 -1.24 0.41 -1.26 -5.11 118.70 110.99 1we9 s GLU 20 Ca 0.28 -0.43 -0.24 0.00 -0.41 0.00 0.00 54.97 54.17 1we9 s GLU 20 Cb 0.16 -0.11 0.05 0.00 -1.78 0.00 0.00 34.13 32.45 1we9 s GLU 20 CO -0.02 0.02 1.00 0.12 -0.49 0.00 0.00 175.26 175.89 1we9 s PHE 21 N -0.86 2.66 0.31 1.61 5.36 -1.26 -5.02 117.98 120.77 1we9 s PHE 21 Ca -0.08 -0.28 -0.17 0.00 -0.96 0.00 0.00 56.93 55.45 1we9 s PHE 21 Cb -0.06 -4.26 -0.09 0.00 -0.34 0.00 0.00 43.02 38.27 1we9 s PHE 21 CO -0.00 -1.60 0.75 -1.58 -1.46 0.00 0.00 175.22 171.32 1we9 s TRP 22 N 4.26 3.43 0.10 10.12 0.52 -1.26 -0.18 118.94 135.94 1we9 s TRP 22 Ca 0.27 1.29 0.03 0.00 0.02 0.00 0.00 56.10 57.71 1we9 s TRP 22 Cb -0.14 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 1we9 s TRP 22 CO 0.14 0.14 0.13 0.96 0.02 0.00 0.00 176.95 178.34 1we9 s ILE 23 N -1.89 4.74 -0.08 2.03 -5.25 -0.85 -4.76 121.20 115.13 1we9 s ILE 23 Ca 0.52 -0.78 -0.00 0.00 -0.99 0.00 0.00 60.65 59.40 1we9 s ILE 23 Cb -0.12 -3.34 -0.03 0.00 2.95 0.00 0.00 42.46 41.93 1we9 s ILE 23 CO 0.18 0.05 -0.05 0.00 -1.79 0.00 0.00 174.94 173.33 1we9 n ASP 26 N -0.94 1.28 -0.01 0.00 -0.08 -1.26 -3.87 116.55 111.68 1we9 n ASP 26 Ca -0.05 0.20 -0.01 0.00 -1.51 0.00 0.00 54.79 53.43 1we9 n ASP 26 Cb 0.65 -0.47 -0.00 0.00 2.34 0.00 0.00 41.12 43.64 1we9 n ASP 26 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1we9 h LEU 27 N -0.47 -0.08 0.06 -2.67 3.38 -1.93 -3.29 115.31 110.31 1we9 h LEU 27 Ca -0.13 0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.50 1we9 h LEU 27 Cb 0.78 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1we9 h LEU 27 CO -0.08 -0.02 -2.05 0.00 0.09 0.00 0.00 178.44 176.39 1we9 n GLU 29 N -3.25 -5.10 -2.49 0.00 1.02 -1.24 -5.03 120.64 104.54 1we9 n GLU 29 Ca -0.31 0.57 -0.25 0.00 -0.02 0.00 0.00 57.16 57.15 1we9 n GLU 29 Cb 1.05 -4.79 0.14 0.00 -0.02 0.00 0.00 31.44 27.81 1we9 n GLU 29 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1we9 s MET 30 N -5.55 1.32 -0.19 3.49 -1.94 -1.26 -4.79 119.30 110.37 1we9 s MET 30 Ca 0.26 -1.11 -0.07 0.00 -1.71 0.00 0.00 55.69 53.06 1we9 s MET 30 Cb -0.11 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1we9 s MET 30 CO 0.50 -1.75 0.07 -1.58 -0.01 0.00 0.00 175.02 172.24 1we9 s TRP 31 N -3.32 3.22 0.33 -0.03 0.52 -1.26 -4.33 118.94 114.07 1we9 s TRP 31 Ca 0.69 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.86 1we9 s TRP 31 Cb -0.04 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 1we9 s TRP 31 CO 0.47 0.07 0.34 -0.06 0.02 0.00 0.00 176.95 177.79 1we9 s PHE 32 N 0.58 1.48 -0.15 -1.98 0.08 -1.25 -4.04 117.98 112.71 1we9 s PHE 32 Ca 0.03 -1.52 -0.01 0.00 0.12 0.00 0.00 56.93 55.55 1we9 s PHE 32 Cb -0.13 -0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 41.82 1we9 s PHE 32 CO 0.01 -0.95 -0.11 -1.01 -0.10 0.00 0.00 175.22 173.06 1we9 s HIS 33 N -3.35 2.85 0.05 0.36 3.76 -1.26 -2.02 115.29 115.69 1we9 s HIS 33 Ca 0.37 -0.67 -0.09 0.00 -0.15 0.00 0.00 55.06 54.52 1we9 s HIS 33 Cb 0.02 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 1we9 s HIS 33 CO 0.24 -0.25 0.86 0.41 -0.85 0.00 0.00 174.74 175.15 1we9 n GLY 34 N 3.72 -2.03 0.28 -2.22 0.00 0.75 0.89 105.19 106.58 1we9 n GLY 34 Ca -0.18 0.59 0.07 0.00 0.00 0.00 0.00 46.02 46.49 1we9 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1we9 h LYS 35 N 0.00 0.20 -0.22 1.61 1.79 -1.79 0.44 116.57 118.61 1we9 h LYS 35 Ca 0.05 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1we9 h LYS 35 Cb 0.12 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1we9 h LYS 35 CO -0.28 0.13 0.07 0.00 -1.08 0.00 0.00 179.45 178.30 1we9 n VAL 37 N -5.05 0.00 -3.17 0.00 0.24 0.47 -4.87 118.33 105.95 1we9 n VAL 37 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 1we9 n VAL 37 Cb 0.08 -0.18 0.07 0.00 -1.47 0.00 0.00 33.84 32.33 1we9 n VAL 37 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1we9 n LYS 38 N -0.68 -5.40 -3.96 7.34 4.76 0.62 -4.96 118.16 115.88 1we9 n LYS 38 Ca 0.09 0.66 -0.13 0.00 -2.87 0.00 0.00 58.31 56.06 1we9 n LYS 38 Cb 0.04 -5.14 -0.14 0.00 -1.84 0.00 0.00 35.03 27.96 1we9 n LYS 38 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1we9 s ILE 39 N -3.27 0.14 0.16 -0.18 1.01 0.12 -4.97 121.20 114.21 1we9 s ILE 39 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1we9 s ILE 39 Cb -0.04 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1we9 s ILE 39 CO 0.57 0.01 0.34 0.42 0.00 0.00 0.00 174.94 176.27 1we9 s THR 40 N -0.12 5.25 -0.81 2.92 -4.23 -1.26 -2.82 115.64 114.57 1we9 s THR 40 Ca -0.00 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.30 1we9 s THR 40 Cb -0.01 -3.70 0.16 0.00 1.34 0.00 0.00 72.50 70.29 1we9 s THR 40 CO -0.00 -0.08 1.54 -0.81 -0.54 0.00 0.00 174.62 174.73 1we9 n PRO 41 N -0.39 0.07 0.00 3.99 -0.04 -1.26 -1.45 135.00 135.92 1we9 n PRO 41 Ca -0.05 0.32 -0.04 0.00 -0.04 0.00 0.00 63.50 63.69 1we9 n PRO 41 Cb 0.53 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1we9 n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1we9 n ALA 42 N -1.60 1.74 -0.03 0.55 0.00 -1.26 -4.22 120.51 115.69 1we9 n ALA 42 Ca 0.03 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 1we9 n ALA 42 Cb 0.19 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 1we9 n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1we9 n ARG 43 N -2.94 0.66 -0.27 0.00 0.63 -1.01 -4.25 116.66 109.48 1we9 n ARG 43 Ca -0.14 0.26 0.05 0.00 -0.92 0.00 0.00 57.85 57.11 1we9 n ARG 43 Cb 0.94 -1.75 0.15 0.00 0.45 0.00 0.00 32.46 32.25 1we9 n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1we9 h ALA 44 N 0.82 0.75 -1.39 5.13 0.00 -1.42 0.59 119.26 123.74 1we9 h ALA 44 Ca -0.34 0.26 0.40 0.00 0.00 0.00 0.00 54.91 55.24 1we9 h ALA 44 Cb 2.04 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 20.23 1we9 h ALA 44 CO 0.07 -0.43 0.99 1.05 0.00 0.00 0.00 179.25 180.93 1we9 h GLU 45 N 0.07 0.03 0.07 0.00 4.11 -1.76 0.55 114.58 117.65 1we9 h GLU 45 Ca 0.42 -0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.52 1we9 h GLU 45 Cb 0.72 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1we9 h GLU 45 CO -0.71 0.02 -1.78 0.45 0.07 0.00 0.00 179.01 177.06 1we9 h HIS 46 N 0.03 0.27 -2.81 2.06 3.86 -0.10 -3.46 115.15 115.01 1we9 h HIS 46 Ca 0.68 -0.20 -0.55 0.00 -1.16 0.00 0.00 60.37 59.15 1we9 h HIS 46 Cb 2.63 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 31.08 1we9 h HIS 46 CO -0.00 1.37 0.92 0.42 0.86 0.00 0.00 177.93 181.51 1we9 s ILE 47 N -2.59 3.66 -0.03 2.45 1.01 0.19 -4.95 121.20 120.95 1we9 s ILE 47 Ca -0.12 0.97 -0.00 0.00 0.00 0.00 0.00 60.65 61.50 1we9 s ILE 47 Cb 0.07 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1we9 s ILE 47 CO 0.81 -0.03 -0.01 0.50 0.00 0.00 0.00 174.94 176.21 1we9 h LYS 48 N 8.35 0.00 -3.35 2.79 3.64 -1.89 -3.46 116.57 122.65 1we9 h LYS 48 Ca -0.37 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.45 1we9 h LYS 48 Cb 1.17 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.59 1we9 h LYS 48 CO 0.93 0.00 -0.76 -0.65 -2.27 0.00 0.00 179.45 176.69 1we9 s GLN 49 N -1.19 0.57 0.27 1.90 -1.52 -1.26 -5.01 119.66 113.41 1we9 s GLN 49 Ca -0.01 -0.85 -0.10 0.00 -1.95 0.00 0.00 55.36 52.46 1we9 s GLN 49 Cb 0.00 -1.78 -0.07 0.00 -0.22 0.00 0.00 33.01 30.94 1we9 s GLN 49 CO 0.01 -0.95 0.60 -0.47 -0.25 0.00 0.00 175.29 174.23 1we9 s TYR 50 N 1.78 3.43 -0.32 0.91 5.04 -1.25 -4.93 117.35 122.00 1we9 s TYR 50 Ca 0.08 0.90 -0.14 0.00 -2.44 0.00 0.00 57.07 55.47 1we9 s TYR 50 Cb -0.17 -2.29 -0.02 0.00 0.35 0.00 0.00 41.96 39.83 1we9 s TYR 50 CO -0.26 0.19 0.32 0.21 -1.34 0.00 0.00 175.55 174.67 1we9 s LYS 51 N -3.07 3.71 0.68 4.97 2.20 -1.26 -4.29 119.74 122.68 1we9 s LYS 51 Ca 0.48 -0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.60 1we9 s LYS 51 Cb -0.11 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1we9 s LYS 51 CO 0.23 -0.40 1.15 0.00 -0.36 0.00 0.00 175.35 175.97 1we9 n PRO 53 N -2.43 0.43 -0.08 0.00 -0.04 -1.26 -1.59 135.00 130.04 1we9 n PRO 53 Ca 0.12 0.03 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1we9 n PRO 53 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 1we9 n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1we9 h SER 54 N 0.00 0.04 0.01 3.54 0.87 -1.99 -3.38 113.55 112.64 1we9 h SER 54 Ca 0.00 -0.72 -0.19 0.00 -1.23 0.00 0.00 61.79 59.65 1we9 h SER 54 Cb 0.03 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1we9 h SER 54 CO 0.00 1.32 -1.01 0.00 -0.53 0.00 0.00 176.83 176.61 1we9 n SER 56 N -4.41 0.12 0.07 0.00 3.41 -0.62 0.20 113.62 112.39 1we9 n SER 56 Ca -0.27 0.94 -0.13 0.00 -0.26 0.00 0.00 58.87 59.16 1we9 n SER 56 Cb 0.66 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1we9 n SER 56 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1we9 h ASN 57 N 0.00 -0.10 -3.73 4.04 -0.73 -1.75 -3.44 115.58 109.87 1we9 h ASN 57 Ca 0.64 -0.09 -0.43 0.00 1.87 0.00 0.00 56.30 58.28 1we9 h ASN 57 Cb 2.17 0.03 0.17 0.00 0.27 0.00 0.00 38.32 40.96 1we9 h ASN 57 CO -0.27 0.03 0.18 -1.59 -0.37 0.00 0.00 177.43 175.40 1we9 s LYS 58 N -5.74 -0.30 -0.39 6.67 -2.85 0.52 -5.02 119.74 112.62 1we9 s LYS 58 Ca -0.14 0.19 -0.02 0.00 -1.00 0.00 0.00 55.97 55.00 1we9 s LYS 58 Cb 0.05 -1.68 0.10 0.00 -2.06 0.00 0.00 37.83 34.24 1we9 s LYS 58 CO 0.65 -3.15 0.17 -1.54 0.10 0.00 0.00 175.35 171.58 1we9 s SER 59 N -3.74 5.16 0.44 0.03 1.04 -1.26 -5.00 113.70 110.37 1we9 s SER 59 Ca 0.68 -2.00 0.03 0.00 0.48 0.00 0.00 55.95 55.14 1we9 s SER 59 Cb -0.14 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 1we9 s SER 59 CO 0.56 -0.50 0.07 -0.83 0.98 0.00 0.00 173.24 173.53 1we9 s GLY 60 N 1.64 2.73 -0.33 7.32 0.00 -1.26 -5.09 107.32 112.33 1we9 s GLY 60 Ca 0.08 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.50 1we9 s GLY 60 CO -0.05 -1.98 1.69 2.56 0.00 0.00 0.00 173.10 175.32 1we9 s PRO 61 N -3.78 3.45 0.38 2.90 0.04 -1.26 -5.00 135.00 131.73 1we9 s PRO 61 Ca 0.18 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1we9 s PRO 61 Cb 0.03 -4.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.37 1we9 s PRO 61 CO 0.10 -1.71 0.74 -1.54 0.04 0.00 0.00 177.00 174.63 1we9 s SER 62 N 5.35 6.55 -1.70 6.66 1.04 -1.26 -4.08 113.70 126.27 1we9 s SER 62 Ca 0.75 1.12 -0.16 0.00 0.48 0.00 0.00 55.95 58.13 1we9 s SER 62 Cb -0.21 -2.31 0.15 0.00 0.10 0.00 0.00 66.02 63.74 1we9 s SER 62 CO 0.33 -0.35 0.64 -1.20 0.98 0.00 0.00 173.24 173.64 1we9 n SER 63 N -1.12 -2.32 -0.38 7.02 7.64 -1.26 -5.20 113.62 117.99 1we9 n SER 63 Ca 0.02 -1.08 0.14 0.00 1.01 0.00 0.00 58.87 58.96 1we9 n SER 63 Cb 0.54 -2.45 0.61 0.00 -1.01 0.00 0.00 64.21 61.89 1we9 n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64