#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua n SER 2 N 0.00 -3.13 -0.09 1.61 2.88 -1.26 -5.00 113.62 108.63 2yua n SER 2 Ca 0.00 -0.50 -0.14 0.00 -1.33 0.00 0.00 58.87 56.90 2yua n SER 2 Cb 0.00 -0.99 -0.06 0.00 -0.75 0.00 0.00 64.21 62.41 2yua n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yua n SER 3 N -3.87 1.86 0.00 -3.46 2.88 -1.26 -5.11 113.62 104.66 2yua n SER 3 Ca 0.07 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 2yua n SER 3 Cb 0.53 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2yua n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yua n GLY 4 N 1.49 0.39 3.56 0.46 0.00 -1.26 -5.05 105.19 104.77 2yua n GLY 4 Ca -0.22 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 2yua n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 5 N 0.00 4.46 0.69 1.61 0.01 -1.26 -4.92 113.70 114.28 2yua s SER 5 Ca 0.00 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 2yua s SER 5 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.69 2yua s SER 5 CO 0.00 -3.37 1.25 -0.94 0.41 0.00 0.00 173.24 170.59 2yua s SER 6 N 9.51 4.39 0.00 2.44 1.04 -1.26 -4.93 113.70 124.89 2yua s SER 6 Ca 0.82 2.50 0.00 0.00 0.48 0.00 0.00 55.95 59.75 2yua s SER 6 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2yua s SER 6 CO 0.04 -2.14 0.00 0.61 0.98 0.00 0.00 173.24 172.73 2yua n GLY 7 N 0.68 2.71 3.56 7.32 0.00 -1.26 -5.03 105.19 113.18 2yua n GLY 7 Ca 0.15 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 2yua n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yua s SER 8 N 0.00 4.92 0.29 1.61 0.15 -1.26 -4.80 113.70 114.61 2yua s SER 8 Ca 0.00 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.25 2yua s SER 8 Cb 0.00 -2.55 0.75 0.00 -1.71 0.00 0.00 66.02 62.50 2yua s SER 8 CO 0.00 -2.92 1.66 0.06 1.20 0.00 0.00 173.24 173.24 2yua h GLN 9 N 11.98 0.27 0.00 5.44 -0.00 -1.97 -3.45 115.11 127.38 2yua h GLN 9 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2yua h GLN 9 Cb 1.02 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 2yua h GLN 9 CO 1.17 0.18 0.00 0.41 -0.00 0.00 0.00 178.83 180.59 2yua n GLY 10 N -1.36 2.59 3.42 0.06 0.00 -1.26 -4.07 105.19 104.57 2yua n GLY 10 Ca 0.22 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 2yua n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2yua s ASP 11 N -4.00 6.22 0.14 1.61 -4.77 -1.26 -5.03 116.67 109.57 2yua s ASP 11 Ca 0.00 -1.27 0.02 0.00 -3.30 0.00 0.00 52.55 48.00 2yua s ASP 11 Cb 0.00 -2.37 -0.04 0.00 -1.09 0.00 0.00 42.92 39.43 2yua s ASP 11 CO 0.00 -1.27 0.27 0.00 0.70 0.00 0.00 175.17 174.87 2yua n SER 13 N -0.43 3.61 -3.76 0.00 7.64 -1.26 -5.01 113.62 114.41 2yua n SER 13 Ca -0.07 -3.47 -0.13 0.00 1.01 0.00 0.00 58.87 56.22 2yua n SER 13 Cb 0.54 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 63.20 2yua n SER 13 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2yua s TYR 14 N -3.38 -0.22 -1.59 1.43 1.13 -1.26 -5.05 117.35 108.41 2yua s TYR 14 Ca 0.44 0.56 -0.10 0.00 -1.41 0.00 0.00 57.07 56.56 2yua s TYR 14 Cb 0.39 -0.01 -0.07 0.00 -1.10 0.00 0.00 41.96 41.17 2yua s TYR 14 CO -0.00 -0.16 2.86 0.43 -2.51 0.00 0.00 175.55 176.16 2yua n SER 15 N 3.88 8.09 0.10 -0.18 7.64 -1.26 -4.46 113.62 127.42 2yua n SER 15 Ca -0.22 -2.60 -0.23 0.00 1.01 0.00 0.00 58.87 56.84 2yua n SER 15 Cb 0.54 -1.56 -0.15 0.00 -1.01 0.00 0.00 64.21 62.03 2yua n SER 15 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2yua h ARG 16 N 5.16 0.42 -1.11 1.43 3.08 -2.01 -3.33 114.38 118.02 2yua h ARG 16 Ca 0.83 -0.72 -0.48 0.00 0.07 0.00 0.00 59.98 59.68 2yua h ARG 16 Cb 0.32 0.27 -0.24 0.00 0.08 0.00 0.00 29.97 30.40 2yua h ARG 16 CO 1.79 1.33 0.62 0.25 -1.07 0.00 0.00 179.97 182.90 2yua n THR 17 N -3.61 3.06 -0.02 2.04 -2.24 -1.26 -4.54 114.28 107.71 2yua n THR 17 Ca -0.21 -2.03 -0.00 0.00 -2.27 0.00 0.00 64.05 59.54 2yua n THR 17 Cb 1.08 -0.93 -0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua h ALA 18 N 1.53 0.00 0.00 6.98 0.00 -1.92 -2.36 119.26 123.48 2yua h ALA 18 Ca 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2yua h ALA 18 Cb 1.61 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2yua h ALA 18 CO 1.10 0.04 0.44 -0.07 0.00 0.00 0.00 179.25 180.75 2yua h LEU 19 N -0.37 0.00 0.03 0.00 3.38 -1.86 0.62 115.31 117.11 2yua h LEU 19 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2yua h LEU 19 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2yua h LEU 19 CO 0.00 0.00 -1.93 -1.22 0.09 0.00 0.00 178.44 175.38 2yua n TYR 20 N -2.55 0.85 -0.05 1.13 4.02 -1.25 -4.09 117.16 115.23 2yua n TYR 20 Ca -0.01 0.26 -0.16 0.00 -0.01 0.00 0.00 57.90 57.98 2yua n TYR 20 Cb 0.47 -1.14 -0.07 0.00 -0.02 0.00 0.00 39.34 38.58 2yua n TYR 20 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2yua h ASP 21 N 0.02 0.76 -0.55 7.72 1.82 0.75 0.37 116.42 127.31 2yua h ASP 21 Ca -0.38 -0.59 0.10 0.00 -0.39 0.00 0.00 57.03 55.78 2yua h ASP 21 Cb 2.05 -0.22 -0.08 0.00 0.68 0.00 0.00 39.33 41.75 2yua h ASP 21 CO 0.06 1.22 0.06 -0.07 -1.61 0.00 0.00 179.24 178.90 2yua h LEU 22 N 0.35 -0.11 0.08 2.28 4.07 -1.32 -2.35 115.31 118.31 2yua h LEU 22 Ca -0.02 0.12 -0.29 0.00 0.08 0.00 0.00 57.88 57.77 2yua h LEU 22 Cb 1.15 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 2yua h LEU 22 CO 0.11 -0.03 -1.46 -0.07 -1.08 0.00 0.00 178.44 175.90 2yua h LEU 23 N 0.18 0.26 0.00 1.67 4.07 -1.70 -3.49 115.31 116.30 2yua h LEU 23 Ca 0.28 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2yua h LEU 23 Cb 0.42 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2yua h LEU 23 CO -0.41 1.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.86 2yua n GLY 24 N 1.59 0.88 3.89 0.83 0.00 0.12 -4.81 105.19 107.70 2yua n GLY 24 Ca -0.14 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2yua n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yua s VAL 25 N -2.00 5.11 1.14 1.61 -7.23 -0.53 -4.98 120.40 113.52 2yua s VAL 25 Ca 0.00 0.16 -0.17 0.00 -1.81 0.00 0.00 61.98 60.16 2yua s VAL 25 Cb 0.00 -3.62 0.26 0.00 0.56 0.00 0.00 36.38 33.57 2yua s VAL 25 CO 0.00 0.04 1.10 -2.16 -0.31 0.00 0.00 175.10 173.77 2yua s PRO 26 N -2.63 -0.70 0.48 4.82 0.04 -1.26 -4.57 135.00 131.18 2yua s PRO 26 Ca 0.42 0.12 0.27 0.00 0.04 0.00 0.00 61.00 61.85 2yua s PRO 26 Cb -0.12 -1.64 1.09 0.00 0.04 0.00 0.00 34.50 33.87 2yua s PRO 26 CO 0.23 -3.40 1.89 0.66 0.04 0.00 0.00 177.00 176.42 2yua h SER 27 N -2.36 0.00 -0.21 6.66 4.64 -1.98 -2.83 113.55 117.47 2yua h SER 27 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 2yua h SER 27 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2yua h SER 27 CO 0.42 0.15 -0.03 1.07 -0.87 0.00 0.00 176.83 177.57 2yua n THR 28 N -3.31 2.24 -0.49 2.95 5.66 -1.26 -5.05 114.28 115.02 2yua n THR 28 Ca 0.00 -2.16 -0.26 0.00 -3.05 0.00 0.00 64.05 58.58 2yua n THR 28 Cb 0.38 -0.26 0.21 0.00 -1.55 0.00 0.00 70.33 69.10 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2yua n ALA 29 N -0.85 -3.13 -2.43 1.79 0.00 -1.07 -5.04 120.51 109.79 2yua n ALA 29 Ca 0.22 -1.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.08 2yua n ALA 29 Cb 0.85 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 2yua n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yua s THR 30 N -2.17 1.99 0.37 0.00 -4.23 -1.26 -4.98 115.64 105.37 2yua s THR 30 Ca 0.54 -2.10 0.21 0.00 -1.18 0.00 0.00 61.69 59.15 2yua s THR 30 Cb -0.12 -2.02 0.37 0.00 1.34 0.00 0.00 72.50 72.08 2yua s THR 30 CO 0.53 -0.38 1.62 0.06 -0.54 0.00 0.00 174.62 175.91 2yua h GLN 31 N 2.88 0.13 -0.64 3.99 -0.00 -1.97 0.78 115.11 120.28 2yua h GLN 31 Ca -0.41 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.29 2yua h GLN 31 Cb 1.22 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.48 28.62 2yua h GLN 31 CO 0.55 0.08 0.33 0.00 -0.00 0.00 0.00 178.83 179.80 2yua h ALA 32 N 1.87 0.85 0.23 0.06 0.00 -1.99 0.06 119.26 120.33 2yua h ALA 32 Ca 0.80 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.73 2yua h ALA 32 Cb 2.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2yua h ALA 32 CO -0.64 -0.01 -0.11 1.96 0.00 0.00 0.00 179.25 180.45 2yua h GLN 33 N 0.62 -0.29 -1.05 0.00 4.20 0.12 -1.94 115.11 116.76 2yua h GLN 33 Ca 0.29 0.02 0.31 0.00 0.06 0.00 0.00 58.65 59.33 2yua h GLN 33 Cb 0.21 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2yua h GLN 33 CO -0.20 -0.14 0.87 0.82 -0.67 0.00 0.00 178.83 179.51 2yua h ILE 34 N -1.06 0.30 0.00 2.54 2.04 -1.15 0.12 117.51 120.29 2yua h ILE 34 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2yua h ILE 34 Cb 0.29 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2yua h ILE 34 CO 0.05 0.00 -0.05 0.50 0.00 0.00 0.00 178.15 178.65 2yua h LYS 35 N 0.00 0.00 -1.10 2.37 3.64 -1.02 -3.17 116.57 117.29 2yua h LYS 35 Ca 0.50 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 60.18 2yua h LYS 35 Cb 2.23 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.95 2yua h LYS 35 CO -0.01 0.00 0.71 0.00 -2.27 0.00 0.00 179.45 177.89 2yua h ALA 36 N -1.37 2.38 0.32 5.00 0.00 -0.63 -2.11 119.26 122.85 2yua h ALA 36 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2yua h ALA 36 Cb 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2yua h ALA 36 CO 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 179.25 178.27 2yua h ALA 37 N 1.61 -1.00 -1.46 0.00 0.00 -0.93 -0.72 119.26 116.75 2yua h ALA 37 Ca 0.64 -0.09 0.44 0.00 0.00 0.00 0.00 54.91 55.89 2yua h ALA 37 Cb 1.76 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.63 2yua h ALA 37 CO -0.31 -0.97 1.01 -0.92 0.00 0.00 0.00 179.25 178.06 2yua h TYR 38 N -0.47 0.24 0.07 0.00 3.20 -1.37 0.26 116.97 118.90 2yua h TYR 38 Ca -0.04 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2yua h TYR 38 Cb 0.33 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2yua h TYR 38 CO 0.13 -0.06 -0.03 1.88 -1.64 0.00 0.00 178.16 178.44 2yua h TYR 39 N 0.07 -0.08 -0.27 -3.82 0.05 -1.23 -3.08 116.97 108.61 2yua h TYR 39 Ca 0.77 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.63 2yua h TYR 39 Cb 2.76 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 40.52 2yua h TYR 39 CO -0.00 -0.05 0.67 0.07 -1.05 0.00 0.00 178.16 177.79 2yua h ARG 40 N -0.20 0.00 0.38 4.88 0.11 -0.23 -1.36 114.38 117.96 2yua h ARG 40 Ca -0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 2yua h ARG 40 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2yua h ARG 40 CO 0.01 0.00 -0.18 1.96 0.10 0.00 0.00 179.97 181.86 2yua h GLN 41 N 0.00 -0.49 -0.95 0.08 1.08 -1.00 -3.27 115.11 110.55 2yua h GLN 41 Ca 0.13 0.03 0.21 0.00 -1.45 0.00 0.00 58.65 57.58 2yua h GLN 41 Cb 1.46 0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 28.82 2yua h GLN 41 CO -0.00 -0.33 -0.15 0.00 -0.95 0.00 0.00 178.83 177.40 2yua h PHE 43 N 0.01 -0.23 -1.01 0.00 3.04 -1.60 0.90 116.94 118.05 2yua h PHE 43 Ca 0.50 0.07 0.26 0.00 3.98 0.00 0.00 57.97 62.77 2yua h PHE 43 Cb 0.86 0.24 -0.08 0.00 2.56 0.00 0.00 35.95 39.53 2yua h PHE 43 CO -0.65 -0.35 0.67 -0.07 -2.02 0.00 0.00 178.31 175.89 2yua h LEU 44 N 0.04 0.36 -7.57 0.59 3.38 -0.30 -3.34 115.31 108.46 2yua h LEU 44 Ca 0.46 0.06 -0.59 0.00 0.09 0.00 0.00 57.88 57.91 2yua h LEU 44 Cb 0.82 -0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.18 2yua h LEU 44 CO -0.83 0.09 -0.78 -0.31 0.09 0.00 0.00 178.44 176.70 2yua s TYR 45 N -5.38 2.07 0.15 1.13 1.51 0.31 -5.10 117.35 112.03 2yua s TYR 45 Ca -0.08 -1.51 0.11 0.00 -1.01 0.00 0.00 57.07 54.58 2yua s TYR 45 Cb 0.24 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2yua s TYR 45 CO 0.79 -0.73 -0.25 -1.01 -1.11 0.00 0.00 175.55 173.25 2yua s HIS 46 N 1.51 2.34 -0.42 2.71 3.76 -1.25 -4.76 115.29 119.18 2yua s HIS 46 Ca -0.04 -0.36 0.25 0.00 -0.15 0.00 0.00 55.06 54.75 2yua s HIS 46 Cb -0.18 -1.23 1.03 0.00 1.11 0.00 0.00 32.58 33.30 2yua s HIS 46 CO -0.07 0.39 1.74 -1.00 -0.85 0.00 0.00 174.74 174.95 2yua h PRO 47 N 3.67 0.00 0.29 8.40 0.13 -1.94 -2.72 132.00 139.84 2yua h PRO 47 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2yua h PRO 47 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2yua h PRO 47 CO 0.42 0.00 -0.14 -0.44 -0.23 0.00 0.00 178.00 177.61 2yua h ASP 48 N 0.00 -0.33 0.20 1.44 3.32 -1.98 -3.38 116.42 115.69 2yua h ASP 48 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2yua h ASP 48 Cb 0.37 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2yua h ASP 48 CO 0.00 0.10 -0.10 0.03 -1.72 0.00 0.00 179.24 177.55 2yua h ARG 49 N -0.84 -0.26 -5.20 3.56 3.08 -1.99 -3.40 114.38 109.33 2yua h ARG 49 Ca -0.04 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2yua h ARG 49 Cb 0.52 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2yua h ARG 49 CO 0.07 -0.18 0.42 0.09 -1.07 0.00 0.00 179.97 179.30 2yua n ASN 50 N -4.00 0.87 -0.21 7.04 3.02 -1.03 -4.75 115.26 116.21 2yua n ASN 50 Ca -0.03 -1.55 0.01 0.00 -0.03 0.00 0.00 54.58 52.98 2yua n ASN 50 Cb 0.11 -1.41 0.10 0.00 -0.61 0.00 0.00 39.78 37.97 2yua n ASN 50 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yua h SER 51 N 11.93 -0.27 0.00 6.41 4.64 -1.80 -3.39 113.55 131.07 2yua h SER 51 Ca 0.01 0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2yua h SER 51 Cb 1.02 0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 2yua h SER 51 CO 1.11 -0.11 -0.04 0.61 -0.87 0.00 0.00 176.83 177.53 2yua n GLY 52 N -1.37 0.15 3.69 -0.77 0.00 -1.26 -5.08 105.19 100.55 2yua n GLY 52 Ca 0.09 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2yua n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 53 N -0.59 6.75 0.07 1.61 0.01 -1.26 -4.92 113.70 115.37 2yua s SER 53 Ca 0.10 2.28 -0.19 0.00 1.31 0.00 0.00 55.95 59.46 2yua s SER 53 Cb 0.20 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 2yua s SER 53 CO -0.05 -0.78 1.46 0.00 0.41 0.00 0.00 173.24 174.28 2yua h ALA 54 N 7.88 0.31 0.68 1.44 0.00 -2.00 -3.26 119.26 124.31 2yua h ALA 54 Ca -0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2yua h ALA 54 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2yua h ALA 54 CO 0.91 0.11 -0.36 0.93 0.00 0.00 0.00 179.25 180.84 2yua h GLU 55 N 0.17 -0.92 -0.79 0.00 3.07 -2.01 -2.64 114.58 111.45 2yua h GLU 55 Ca 0.06 0.06 0.33 0.00 -0.50 0.00 0.00 59.36 59.30 2yua h GLU 55 Cb 0.53 0.21 -0.14 0.00 -0.84 0.00 0.00 28.75 28.51 2yua h GLU 55 CO 0.02 -0.61 0.41 0.00 -1.40 0.00 0.00 179.01 177.43 2yua n ALA 56 N -2.54 0.79 0.11 3.43 0.00 -1.24 -0.66 120.51 120.40 2yua n ALA 56 Ca -0.14 0.81 -0.04 0.00 0.00 0.00 0.00 53.44 54.07 2yua n ALA 56 Cb 0.40 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2yua n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yua h ALA 57 N 1.58 -1.07 -1.03 0.00 0.00 -1.51 1.02 119.26 118.25 2yua h ALA 57 Ca 0.66 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.77 2yua h ALA 57 Cb 1.74 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.54 2yua h ALA 57 CO -0.62 -1.05 0.65 1.05 0.00 0.00 0.00 179.25 179.29 2yua h GLU 58 N -0.28 0.43 0.00 0.00 4.11 -0.89 0.58 114.58 118.52 2yua h GLU 58 Ca -0.03 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.21 2yua h GLU 58 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2yua h GLU 58 CO 0.05 0.28 -0.77 -0.09 0.07 0.00 0.00 179.01 178.54 2yua h ARG 59 N 0.44 0.00 -0.14 1.06 2.43 -0.94 -3.02 114.38 114.21 2yua h ARG 59 Ca 0.61 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.73 2yua h ARG 59 Cb 1.45 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2yua h ARG 59 CO -0.34 0.77 -0.08 0.35 -1.51 0.00 0.00 179.97 179.17 2yua h PHE 60 N 0.00 0.35 -0.85 2.20 3.57 0.65 -2.83 116.94 120.04 2yua h PHE 60 Ca -0.01 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 2yua h PHE 60 Cb 1.44 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 2yua h PHE 60 CO 0.00 0.65 0.41 0.00 -2.23 0.00 0.00 178.31 177.14 2yua h THR 61 N -0.04 1.26 -0.58 4.41 1.03 -1.22 -2.73 112.91 115.04 2yua h THR 61 Ca 0.03 -0.72 0.04 0.00 -0.01 0.00 0.00 66.41 65.74 2yua h THR 61 Cb 0.56 0.17 -0.04 0.00 -1.07 0.00 0.00 68.15 67.76 2yua h THR 61 CO 0.02 0.31 0.34 0.03 -0.01 0.00 0.00 175.52 176.21 2yua h ARG 62 N 1.21 0.63 -0.57 0.00 3.08 -1.50 -2.33 114.38 114.89 2yua h ARG 62 Ca 0.29 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.37 2yua h ARG 62 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2yua h ARG 62 CO -0.04 0.42 0.28 0.82 -1.07 0.00 0.00 179.97 180.38 2yua h ILE 63 N 0.65 0.90 -0.19 2.04 2.04 -1.23 -2.45 117.51 119.28 2yua h ILE 63 Ca 0.24 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.95 2yua h ILE 63 Cb 0.08 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2yua h ILE 63 CO -0.13 0.09 0.01 -1.28 0.00 0.00 0.00 178.15 176.85 2yua h SER 64 N 0.52 -0.05 -0.71 1.72 0.87 -1.28 -2.69 113.55 111.92 2yua h SER 64 Ca 0.27 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 61.00 2yua h SER 64 Cb 0.22 0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.11 2yua h SER 64 CO -0.21 0.00 -0.25 1.56 -0.53 0.00 0.00 176.83 177.41 2yua h GLN 65 N 0.07 -0.05 -1.18 2.24 4.20 -0.99 0.56 115.11 119.96 2yua h GLN 65 Ca 0.09 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.14 2yua h GLN 65 Cb 0.10 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 2yua h GLN 65 CO -0.14 -0.03 0.79 0.00 -0.67 0.00 0.00 178.83 178.78 2yua h ALA 66 N 1.49 2.64 -0.32 3.87 0.00 -1.34 1.11 119.26 126.71 2yua h ALA 66 Ca 0.32 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 2yua h ALA 66 Cb 0.55 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2yua h ALA 66 CO -0.76 -1.08 0.15 0.98 0.00 0.00 0.00 179.25 178.54 2yua n TYR 67 N -4.50 1.04 0.06 0.00 9.36 0.20 -3.42 117.16 119.89 2yua n TYR 67 Ca 0.29 -0.72 0.00 0.00 3.32 0.00 0.00 57.90 60.78 2yua n TYR 67 Cb 1.14 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 2yua n TYR 67 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2yua n VAL 68 N 0.02 0.64 -0.03 2.97 0.31 0.38 -4.18 118.33 118.44 2yua n VAL 68 Ca 0.18 0.21 -0.03 0.00 -0.01 0.00 0.00 64.34 64.69 2yua n VAL 68 Cb 0.82 -1.25 0.20 0.00 -0.91 0.00 0.00 33.84 32.70 2yua n VAL 68 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2yua h VAL 69 N 0.00 1.24 0.00 2.52 2.07 -1.66 -3.14 116.25 117.28 2yua h VAL 69 Ca 0.00 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.24 2yua h VAL 69 Cb 0.19 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2yua h VAL 69 CO 0.00 0.36 -2.06 0.18 0.02 0.00 0.00 177.57 176.07 2yua n LEU 70 N -4.18 0.16 -0.05 2.57 4.77 -1.22 -3.31 117.00 115.74 2yua n LEU 70 Ca 0.01 0.07 0.24 0.00 -0.03 0.00 0.00 56.01 56.30 2yua n LEU 70 Cb 0.34 0.24 0.59 0.00 -2.33 0.00 0.00 43.42 42.26 2yua n LEU 70 CO 0.41 0.25 1.22 1.23 -1.33 0.00 0.00 177.39 179.17 2yua h GLY 71 N 3.95 0.00 -5.68 -0.72 0.00 -1.68 -3.36 103.07 95.58 2yua h GLY 71 Ca -0.28 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.38 2yua h GLY 71 CO 0.02 0.00 -0.87 -0.56 0.00 0.00 0.00 176.54 175.14 2yua s SER 72 N -4.31 3.14 0.22 0.19 0.01 -1.25 -5.00 113.70 106.70 2yua s SER 72 Ca -0.03 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.55 2yua s SER 72 Cb 0.14 -1.45 0.31 0.00 0.21 0.00 0.00 66.02 65.24 2yua s SER 72 CO 0.49 0.09 1.73 0.00 0.41 0.00 0.00 173.24 175.96 2yua h ALA 73 N 7.26 0.81 -0.06 1.44 0.00 -1.90 -2.49 119.26 124.32 2yua h ALA 73 Ca -0.31 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2yua h ALA 73 Cb 1.20 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2yua h ALA 73 CO 0.55 -0.23 -0.46 1.15 0.00 0.00 0.00 179.25 180.26 2yua h THR 74 N 0.37 0.10 -0.53 0.00 2.02 -1.94 -2.43 112.91 110.50 2yua h THR 74 Ca 0.33 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.59 2yua h THR 74 Cb 0.45 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 2yua h THR 74 CO -0.35 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.05 2yua h LEU 75 N -0.57 -1.44 -0.98 2.58 3.38 -1.69 -0.12 115.31 116.47 2yua h LEU 75 Ca 0.05 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.45 2yua h LEU 75 Cb 0.66 0.65 -0.18 0.00 0.09 0.00 0.00 40.66 41.88 2yua h LEU 75 CO -0.37 -0.34 -0.25 0.03 0.09 0.00 0.00 178.44 177.60 2yua h ARG 76 N -0.25 -0.00 -0.40 1.13 3.08 -1.22 1.44 114.38 118.17 2yua h ARG 76 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2yua h ARG 76 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2yua h ARG 76 CO -0.66 -0.00 0.16 0.00 -1.07 0.00 0.00 179.97 178.41 2yua h ARG 77 N -0.00 0.55 0.13 0.04 3.08 -0.82 -1.83 114.38 115.54 2yua h ARG 77 Ca 0.46 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 2yua h ARG 77 Cb 0.71 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2yua h ARG 77 CO -1.01 0.46 -0.06 0.87 -1.07 0.00 0.00 179.97 179.16 2yua h LYS 78 N 0.55 -0.17 -1.12 0.04 1.57 0.26 -3.10 116.57 114.62 2yua h LYS 78 Ca 0.14 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.24 2yua h LYS 78 Cb 0.10 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 2yua h LYS 78 CO -0.02 -0.11 0.75 -0.92 -0.57 0.00 0.00 179.45 178.58 2yua h TYR 79 N -0.22 0.41 -0.91 -1.35 3.20 -1.23 0.40 116.97 117.26 2yua h TYR 79 Ca -0.02 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.98 2yua h TYR 79 Cb 0.13 -0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 2yua h TYR 79 CO 0.14 0.02 0.55 -0.44 -1.64 0.00 0.00 178.16 176.78 2yua h ASP 80 N 0.23 0.79 -0.25 -2.11 3.32 -1.29 -1.28 116.42 115.83 2yua h ASP 80 Ca 0.60 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.70 2yua h ASP 80 Cb 1.87 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.32 2yua h ASP 80 CO -0.20 0.42 0.00 0.54 -1.72 0.00 0.00 179.24 178.28 2yua n ARG 81 N -4.69 2.05 -2.00 3.56 5.12 0.10 -4.96 116.66 115.84 2yua n ARG 81 Ca 0.16 -1.92 -0.04 0.00 -1.93 0.00 0.00 57.85 54.12 2yua n ARG 81 Cb 0.33 -1.39 -0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2yua n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yua n GLY 82 N 1.08 0.23 0.09 -0.13 0.00 0.76 -4.93 105.19 102.29 2yua n GLY 82 Ca 0.14 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2yua n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yua h LEU 83 N 0.00 0.00 -9.28 0.99 3.38 -1.17 -3.46 115.31 105.78 2yua h LEU 83 Ca -0.10 -0.13 -0.55 0.00 0.09 0.00 0.00 57.88 57.19 2yua h LEU 83 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2yua h LEU 83 CO 0.13 0.06 0.93 -0.22 0.09 0.00 0.00 178.44 179.43 2yua s LEU 84 N -4.53 4.28 0.26 1.67 2.96 -1.25 -4.90 118.68 117.17 2yua s LEU 84 Ca 0.07 2.03 -0.05 0.00 -0.22 0.00 0.00 54.13 55.96 2yua s LEU 84 Cb 0.12 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 2yua s LEU 84 CO 0.69 -0.79 0.52 -0.44 -1.32 0.00 0.00 176.35 175.01 2yua s SER 85 N 2.36 6.46 0.25 3.68 0.01 -1.26 -4.93 113.70 120.26 2yua s SER 85 Ca 0.64 0.69 -0.03 0.00 1.31 0.00 0.00 55.95 58.55 2yua s SER 85 Cb -0.29 -2.13 0.49 0.00 0.21 0.00 0.00 66.02 64.29 2yua s SER 85 CO 0.24 -0.15 1.72 -2.24 0.41 0.00 0.00 173.24 173.22 2yua h ASP 86 N 1.86 0.23 -1.06 2.44 2.03 -2.00 0.53 116.42 120.44 2yua h ASP 86 Ca -0.48 0.12 0.31 0.00 -0.73 0.00 0.00 57.03 56.26 2yua h ASP 86 Cb 1.19 0.11 -0.13 0.00 -0.83 0.00 0.00 39.33 39.67 2yua h ASP 86 CO 0.67 0.07 0.64 -0.33 -1.03 0.00 0.00 179.24 179.26 2yua h GLU 87 N 0.40 0.35 -0.19 4.15 5.08 -1.98 0.25 114.58 122.65 2yua h GLU 87 Ca 0.43 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 2yua h GLU 87 Cb 0.69 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2yua h GLU 87 CO -0.44 0.23 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.17 2yua h ASP 88 N 0.36 0.49 0.43 1.42 3.32 -1.28 1.27 116.42 122.43 2yua h ASP 88 Ca 0.70 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2yua h ASP 88 Cb 1.69 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 41.07 2yua h ASP 88 CO -0.47 0.87 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.38 2yua h LEU 89 N 0.11 -1.29 0.04 1.55 3.38 -0.38 -3.18 115.31 115.55 2yua h LEU 89 Ca 0.03 0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 2yua h LEU 89 Cb 0.73 0.43 0.02 0.00 0.09 0.00 0.00 40.66 41.93 2yua h LEU 89 CO 0.05 -0.62 -0.83 0.08 0.09 0.00 0.00 178.44 177.21 2yua h ARG 90 N -0.92 0.50 0.00 1.13 0.11 -1.36 -3.45 114.38 110.39 2yua h ARG 90 Ca -0.05 -0.58 0.00 0.00 0.10 0.00 0.00 59.98 59.45 2yua h ARG 90 Cb 0.81 0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.07 2yua h ARG 90 CO -0.08 1.22 0.00 0.41 0.10 0.00 0.00 179.97 181.61 2yua n GLY 91 N 1.19 0.42 3.77 0.08 0.00 0.44 -4.38 105.19 106.71 2yua n GLY 91 Ca -0.11 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2yua n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 92 N 0.00 2.88 0.74 1.61 0.04 -1.26 -4.33 135.00 134.68 2yua s PRO 92 Ca 0.00 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2yua s PRO 92 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2yua s PRO 92 CO 0.00 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2yua n GLY 93 N -0.43 2.09 3.56 0.56 0.00 -1.26 -4.82 105.19 104.89 2yua n GLY 93 Ca 0.11 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 2yua n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 94 N 5.02 -5.28 0.00 1.61 7.64 -1.26 -4.93 113.62 116.41 2yua n SER 94 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2yua n SER 94 Cb 0.00 -5.04 0.00 0.00 -1.01 0.00 0.00 64.21 58.16 2yua n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yua n GLY 95 N -1.79 0.35 3.67 0.23 0.00 -1.26 -5.11 105.19 101.28 2yua n GLY 95 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2yua n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yua s PRO 96 N 0.00 0.33 1.17 1.61 0.04 -1.26 -5.01 135.00 131.88 2yua s PRO 96 Ca 0.00 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 2yua s PRO 96 Cb 0.00 -1.73 0.20 0.00 0.04 0.00 0.00 34.50 33.01 2yua s PRO 96 CO 0.00 -2.79 0.40 0.45 0.04 0.00 0.00 177.00 175.10 2yua n SER 97 N -4.21 -2.52 -3.70 6.66 2.88 -1.26 -5.00 113.62 106.47 2yua n SER 97 Ca 0.05 -0.27 -0.30 0.00 -1.33 0.00 0.00 58.87 57.03 2yua n SER 97 Cb 0.57 -1.01 -0.14 0.00 -0.75 0.00 0.00 64.21 62.88 2yua n SER 97 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yua s SER 98 N -2.13 3.78 0.00 -3.46 0.15 -1.26 -5.10 113.70 105.68 2yua s SER 98 Ca 0.58 -2.10 0.02 0.00 0.70 0.00 0.00 55.95 55.16 2yua s SER 98 Cb -0.15 -0.89 0.02 0.00 -1.71 0.00 0.00 66.02 63.28 2yua s SER 98 CO 0.61 -0.34 0.56 0.61 1.20 0.00 0.00 173.24 175.88