#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yua s SER 2 N 0.00 6.73 0.42 1.61 1.04 -1.26 -5.03 113.70 117.21 2yua s SER 2 Ca 0.00 -3.40 0.07 0.00 0.48 0.00 0.00 55.95 53.11 2yua s SER 2 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 2yua s SER 2 CO 0.00 -0.32 0.23 -0.44 0.98 0.00 0.00 173.24 173.68 2yua s SER 3 N 1.07 4.55 -0.89 7.02 0.01 -1.26 -5.03 113.70 119.17 2yua s SER 3 Ca 0.26 -1.03 -0.25 0.00 1.31 0.00 0.00 55.95 56.25 2yua s SER 3 Cb -0.10 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 2yua s SER 3 CO -0.09 -0.59 1.98 -0.83 0.41 0.00 0.00 173.24 174.11 2yua s GLY 4 N -3.96 0.12 0.04 3.44 0.00 -1.26 -4.88 107.32 100.82 2yua s GLY 4 Ca 0.42 -1.45 -0.18 0.00 0.00 0.00 0.00 44.72 43.50 2yua s GLY 4 CO 0.23 3.54 0.41 -0.45 0.00 0.00 0.00 173.10 176.83 2yua s SER 5 N 8.22 -0.28 -0.30 1.64 0.15 -1.26 -5.14 113.70 116.72 2yua s SER 5 Ca 0.71 0.01 -0.04 0.00 0.70 0.00 0.00 55.95 57.34 2yua s SER 5 Cb -0.07 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2yua s SER 5 CO 0.00 -0.66 0.03 -0.94 1.20 0.00 0.00 173.24 172.87 2yua s SER 6 N -1.97 4.93 0.00 5.45 1.04 -1.26 -5.03 113.70 116.86 2yua s SER 6 Ca -0.06 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2yua s SER 6 Cb -0.01 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2yua s SER 6 CO -0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2yua n GLY 7 N 4.72 1.64 4.18 7.32 0.00 -1.26 -4.94 105.19 116.85 2yua n GLY 7 Ca -0.14 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2yua n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yua n SER 8 N 0.00 -3.19 -0.23 1.61 2.88 -1.26 -4.82 113.62 108.61 2yua n SER 8 Ca 0.00 -0.99 -0.02 0.00 -1.33 0.00 0.00 58.87 56.53 2yua n SER 8 Cb 0.00 -2.88 0.05 0.00 -0.75 0.00 0.00 64.21 60.63 2yua n SER 8 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2yua h GLN 9 N -1.58 -0.06 0.00 -1.46 4.20 -2.05 -3.42 115.11 110.73 2yua h GLN 9 Ca -0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.12 2yua h GLN 9 Cb 1.38 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2yua h GLN 9 CO 0.76 -0.04 0.00 0.41 -0.67 0.00 0.00 178.83 179.29 2yua n GLY 10 N -1.46 -1.82 2.90 3.46 0.00 -1.26 -5.16 105.19 101.85 2yua n GLY 10 Ca 0.07 0.80 -0.22 0.00 0.00 0.00 0.00 46.02 46.67 2yua n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yua s ASP 11 N 0.00 1.26 -0.35 1.61 1.11 -1.26 -5.03 116.67 114.01 2yua s ASP 11 Ca 0.00 -0.17 0.06 0.00 0.18 0.00 0.00 52.55 52.62 2yua s ASP 11 Cb 0.00 -0.55 0.45 0.00 1.07 0.00 0.00 42.92 43.90 2yua s ASP 11 CO 0.00 -0.06 1.27 0.00 1.18 0.00 0.00 175.17 177.56 2yua h SER 13 N 2.22 0.00 0.00 0.00 0.87 -2.08 -3.38 113.55 111.18 2yua h SER 13 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2yua h SER 13 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2yua h SER 13 CO 0.85 0.65 -0.62 0.00 -0.53 0.00 0.00 176.83 177.18 2yua n TYR 14 N -3.36 0.00 -4.41 2.24 4.11 -1.26 -5.03 117.16 109.45 2yua n TYR 14 Ca 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.54 2yua n TYR 14 Cb 0.75 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 40.01 2yua n TYR 14 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2yua n SER 15 N -1.43 -0.43 -0.04 9.48 7.64 -1.26 -4.84 113.62 122.75 2yua n SER 15 Ca 0.00 -1.25 -0.12 0.00 1.01 0.00 0.00 58.87 58.51 2yua n SER 15 Cb 0.31 -1.66 -0.10 0.00 -1.01 0.00 0.00 64.21 61.75 2yua n SER 15 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2yua h ARG 16 N -1.37 -0.03 0.00 1.43 2.43 -1.95 -3.27 114.38 111.62 2yua h ARG 16 Ca -0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2yua h ARG 16 Cb 1.39 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2yua h ARG 16 CO 0.80 0.69 0.00 2.41 -1.51 0.00 0.00 179.97 182.35 2yua n THR 17 N -4.71 0.77 0.25 0.20 -1.04 -1.26 -3.42 114.28 105.07 2yua n THR 17 Ca -0.08 0.19 -0.16 0.00 -2.04 0.00 0.00 64.05 61.96 2yua n THR 17 Cb 0.36 -0.89 -0.08 0.00 -1.82 0.00 0.00 70.33 67.90 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yua h ALA 18 N 2.62 -0.59 0.00 2.41 0.00 -1.93 -1.47 119.26 120.30 2yua h ALA 18 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2yua h ALA 18 Cb 0.30 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2yua h ALA 18 CO 0.00 -0.84 0.55 -0.07 0.00 0.00 0.00 179.25 178.89 2yua h LEU 19 N -0.59 0.00 0.00 0.00 3.38 -1.71 0.38 115.31 116.76 2yua h LEU 19 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2yua h LEU 19 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2yua h LEU 19 CO 0.08 0.00 -1.09 1.88 0.09 0.00 0.00 178.44 179.40 2yua h TYR 20 N 0.00 0.00 -0.76 1.13 -1.99 -1.51 -3.36 116.97 110.48 2yua h TYR 20 Ca 0.00 0.00 0.20 0.00 2.00 0.00 0.00 58.73 60.93 2yua h TYR 20 Cb 1.10 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.79 2yua h TYR 20 CO 0.00 1.30 0.53 0.22 -0.00 0.00 0.00 178.16 180.21 2yua h ASP 21 N -1.00 0.16 -0.83 3.88 1.82 -0.08 0.48 116.42 120.85 2yua h ASP 21 Ca -0.29 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.35 2yua h ASP 21 Cb 1.19 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 41.15 2yua h ASP 21 CO -0.17 0.07 0.45 -0.07 -1.61 0.00 0.00 179.24 177.90 2yua h LEU 22 N 0.16 1.04 0.00 2.28 4.07 -1.48 -3.31 115.31 118.07 2yua h LEU 22 Ca 0.37 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.16 2yua h LEU 22 Cb 1.24 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2yua h LEU 22 CO -0.06 0.85 -0.68 -0.07 -1.08 0.00 0.00 178.44 177.39 2yua h LEU 23 N 1.16 0.00 0.00 1.67 4.07 -1.04 -3.50 115.31 117.67 2yua h LEU 23 Ca 0.29 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2yua h LEU 23 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 2yua h LEU 23 CO -0.05 0.96 0.00 0.61 -1.08 0.00 0.00 178.44 178.88 2yua n GLY 24 N 1.57 1.75 3.47 0.83 0.00 0.15 -4.93 105.19 108.03 2yua n GLY 24 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.99 2.74 0.69 1.61 -7.23 -1.23 -5.04 120.40 109.96 2yua s VAL 25 Ca 0.00 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 2yua s VAL 25 Cb 0.00 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2yua s VAL 25 CO 0.00 0.12 1.10 -2.16 -0.31 0.00 0.00 175.10 173.86 2yua s PRO 26 N -2.06 2.63 0.33 4.82 0.04 -1.26 -4.69 135.00 134.81 2yua s PRO 26 Ca 0.17 1.32 0.21 0.00 0.04 0.00 0.00 61.00 62.74 2yua s PRO 26 Cb -0.10 -1.93 1.14 0.00 0.04 0.00 0.00 34.50 33.64 2yua s PRO 26 CO 0.09 -1.37 1.63 0.45 0.04 0.00 0.00 177.00 177.83 2yua n SER 27 N -2.76 0.54 -0.59 6.66 2.88 -1.26 -0.37 113.62 118.73 2yua n SER 27 Ca 0.10 0.74 0.07 0.00 -1.33 0.00 0.00 58.87 58.45 2yua n SER 27 Cb 0.52 -0.80 0.20 0.00 -0.75 0.00 0.00 64.21 63.38 2yua n SER 27 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2yua n THR 28 N -2.25 2.17 -0.21 2.46 -2.24 -1.26 -5.05 114.28 107.91 2yua n THR 28 Ca -0.01 -2.37 -0.25 0.00 -2.27 0.00 0.00 64.05 59.15 2yua n THR 28 Cb 0.07 -0.26 0.24 0.00 -2.10 0.00 0.00 70.33 68.28 2yua n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua n ALA 29 N -1.06 -4.26 -2.55 6.98 0.00 0.50 -5.05 120.51 115.07 2yua n ALA 29 Ca 0.21 -1.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.18 2yua n ALA 29 Cb 0.80 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 20.01 2yua n ALA 29 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2yua s THR 30 N -1.92 1.63 0.33 0.00 -1.32 -1.26 -4.98 115.64 108.12 2yua s THR 30 Ca 0.54 -1.46 0.23 0.00 -1.21 0.00 0.00 61.69 59.79 2yua s THR 30 Cb -0.10 -1.48 0.36 0.00 -1.51 0.00 0.00 72.50 69.77 2yua s THR 30 CO 0.45 -0.04 1.24 1.67 -2.21 0.00 0.00 174.62 175.73 2yua n GLN 31 N 1.23 -0.03 -0.04 7.08 -0.06 -1.26 0.19 117.38 124.48 2yua n GLN 31 Ca -0.19 1.03 -0.10 0.00 -2.00 0.00 0.00 57.00 55.73 2yua n GLN 31 Cb 0.54 -1.96 -0.03 0.00 -4.06 0.00 0.00 30.24 24.73 2yua n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2yua h ALA 32 N 1.37 0.24 0.48 1.69 0.00 -1.99 -2.10 119.26 118.95 2yua h ALA 32 Ca 0.69 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.57 2yua h ALA 32 Cb 2.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2yua h ALA 32 CO -0.45 -0.29 -0.23 1.96 0.00 0.00 0.00 179.25 180.24 2yua h GLN 33 N 0.25 -0.62 -1.48 0.00 4.20 0.17 -0.28 115.11 117.34 2yua h GLN 33 Ca 0.07 0.04 0.49 0.00 0.06 0.00 0.00 58.65 59.31 2yua h GLN 33 Cb -0.01 0.14 -0.13 0.00 0.30 0.00 0.00 27.48 27.78 2yua h GLN 33 CO -0.03 -0.42 0.98 0.82 -0.67 0.00 0.00 178.83 179.51 2yua h ILE 34 N -1.08 0.04 0.00 2.54 2.04 -1.39 0.10 117.51 119.77 2yua h ILE 34 Ca -0.07 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2yua h ILE 34 Cb 0.50 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2yua h ILE 34 CO 0.11 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.65 2yua h LYS 35 N 0.02 0.00 -1.10 2.37 3.64 -1.35 -3.17 116.57 116.99 2yua h LYS 35 Ca 0.88 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 60.60 2yua h LYS 35 Cb 2.95 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 34.64 2yua h LYS 35 CO -0.37 0.29 0.67 0.00 -2.27 0.00 0.00 179.45 177.76 2yua h ALA 36 N -0.74 2.23 0.52 5.00 0.00 0.90 -1.31 119.26 125.86 2yua h ALA 36 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2yua h ALA 36 Cb 0.35 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2yua h ALA 36 CO -0.01 -0.81 -0.25 0.00 0.00 0.00 0.00 179.25 178.18 2yua h ALA 37 N 1.74 -0.90 -0.95 0.00 0.00 -1.03 -2.43 119.26 115.69 2yua h ALA 37 Ca 0.73 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.77 2yua h ALA 37 Cb 1.89 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 19.79 2yua h ALA 37 CO -0.49 -0.85 0.24 -0.92 0.00 0.00 0.00 179.25 177.23 2yua h TYR 38 N -0.92 0.33 -0.32 0.00 3.20 -1.24 0.47 116.97 118.49 2yua h TYR 38 Ca -0.07 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2yua h TYR 38 Cb 0.54 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2yua h TYR 38 CO 0.04 -0.34 0.19 1.88 -1.64 0.00 0.00 178.16 178.29 2yua h TYR 39 N 0.10 0.43 -0.51 -3.82 -1.99 -1.33 -2.80 116.97 107.05 2yua h TYR 39 Ca 0.64 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.45 2yua h TYR 39 Cb 1.40 -0.14 -0.07 0.00 2.00 0.00 0.00 36.73 39.92 2yua h TYR 39 CO -0.29 0.33 0.10 0.00 -0.00 0.00 0.00 178.16 178.30 2yua h ARG 40 N 0.41 0.23 0.15 4.88 3.08 0.44 -2.59 114.38 120.99 2yua h ARG 40 Ca 0.12 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.17 2yua h ARG 40 Cb 0.03 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2yua h ARG 40 CO -0.02 0.15 -0.42 1.96 -1.07 0.00 0.00 179.97 180.58 2yua h GLN 41 N 0.24 -0.65 -0.80 0.04 1.08 -1.13 -0.91 115.11 112.98 2yua h GLN 41 Ca 0.26 0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.72 2yua h GLN 41 Cb 0.35 0.15 -0.15 0.00 -0.05 0.00 0.00 27.48 27.77 2yua h GLN 41 CO -0.33 -0.43 0.01 0.00 -0.95 0.00 0.00 178.83 177.13 2yua h PHE 43 N 0.00 0.38 -0.69 0.00 3.04 -1.33 -3.08 116.94 115.25 2yua h PHE 43 Ca 0.48 -0.15 0.13 0.00 3.98 0.00 0.00 57.97 62.41 2yua h PHE 43 Cb 1.00 -0.06 -0.13 0.00 2.56 0.00 0.00 35.95 39.31 2yua h PHE 43 CO -0.41 0.85 -0.25 -0.07 -2.02 0.00 0.00 178.31 176.41 2yua h LEU 44 N -0.20 -0.91 -4.75 0.59 3.38 0.19 0.16 115.31 113.77 2yua h LEU 44 Ca -0.01 0.23 -0.74 0.00 0.09 0.00 0.00 57.88 57.45 2yua h LEU 44 Cb 0.86 0.52 -0.29 0.00 0.09 0.00 0.00 40.66 41.84 2yua h LEU 44 CO 0.05 -0.27 0.89 -1.22 0.09 0.00 0.00 178.44 177.98 2yua n TYR 45 N -5.47 3.05 -1.48 1.13 4.02 -0.49 -5.03 117.16 112.90 2yua n TYR 45 Ca 0.08 -2.51 -0.46 0.00 -0.01 0.00 0.00 57.90 55.00 2yua n TYR 45 Cb 0.37 -1.16 -0.02 0.00 -0.02 0.00 0.00 39.34 38.51 2yua n TYR 45 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 2yua n HIS 46 N -0.61 0.23 0.39 -0.72 -0.00 0.04 -4.83 115.22 109.72 2yua n HIS 46 Ca 0.55 0.82 0.12 0.00 0.46 0.00 0.00 57.72 59.66 2yua n HIS 46 Cb 0.35 -2.08 0.49 0.00 -0.12 0.00 0.00 29.99 28.63 2yua n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2yua n PRO 47 N 0.85 0.19 -0.09 1.57 -0.04 -1.26 -2.97 135.00 133.25 2yua n PRO 47 Ca 0.14 0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 63.86 2yua n PRO 47 Cb 0.30 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 2yua n PRO 47 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2yua h ASP 48 N 0.00 0.00 0.01 3.54 1.82 -1.98 -3.39 116.42 116.41 2yua h ASP 48 Ca 0.00 -0.56 0.03 0.00 -0.39 0.00 0.00 57.03 56.11 2yua h ASP 48 Cb 0.35 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.31 2yua h ASP 48 CO 0.00 1.17 -0.33 0.03 -1.61 0.00 0.00 179.24 178.50 2yua h ARG 49 N -1.00 -0.47 -6.06 0.28 2.47 -1.92 -3.35 114.38 104.33 2yua h ARG 49 Ca -0.17 0.03 -0.49 0.00 -1.26 0.00 0.00 59.98 58.09 2yua h ARG 49 Cb 1.01 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 29.38 2yua h ARG 49 CO -0.10 -0.31 1.19 -0.80 0.56 0.00 0.00 179.97 180.50 2yua s ASN 50 N -4.84 5.63 -0.59 7.04 0.01 -1.16 -4.93 114.94 116.09 2yua s ASN 50 Ca -0.16 -0.22 -0.27 0.00 -0.71 0.00 0.00 52.86 51.51 2yua s ASN 50 Cb 0.09 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.20 2yua s ASN 50 CO 0.65 -2.19 1.64 -0.55 -1.51 0.00 0.00 177.10 175.13 2yua s SER 51 N 6.53 5.70 -1.53 -1.22 0.15 -1.26 -3.94 113.70 118.14 2yua s SER 51 Ca 0.56 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 57.48 2yua s SER 51 Cb -0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2yua s SER 51 CO 0.13 -2.05 0.07 0.61 1.20 0.00 0.00 173.24 173.19 2yua n GLY 52 N 5.50 -0.14 3.64 9.45 0.00 -1.26 -4.89 105.19 117.49 2yua n GLY 52 Ca 0.15 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 2yua n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 53 N -4.38 2.44 -0.04 1.61 1.04 -1.25 -5.01 113.70 108.10 2yua s SER 53 Ca 0.01 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 2yua s SER 53 Cb -0.00 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 2yua s SER 53 CO 0.98 -3.28 -0.05 0.00 0.98 0.00 0.00 173.24 171.87 2yua n ALA 54 N -4.30 2.29 -0.03 5.32 0.00 -1.26 -4.66 120.51 117.87 2yua n ALA 54 Ca 0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 2yua n ALA 54 Cb 0.55 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 20.34 2yua n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2yua h GLU 55 N -0.08 0.45 -0.82 0.00 5.08 -2.02 -3.25 114.58 113.93 2yua h GLU 55 Ca -0.11 -0.35 0.20 0.00 -1.00 0.00 0.00 59.36 58.11 2yua h GLU 55 Cb 1.13 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2yua h GLU 55 CO -0.04 0.98 0.19 0.00 -1.00 0.00 0.00 179.01 179.14 2yua h ALA 56 N 0.48 1.11 -0.71 3.43 0.00 -2.00 -1.83 119.26 119.74 2yua h ALA 56 Ca -0.02 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2yua h ALA 56 Cb 1.03 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 2yua h ALA 56 CO 0.08 -0.41 -0.52 0.00 0.00 0.00 0.00 179.25 178.40 2yua h ALA 57 N 1.71 -0.59 -0.55 0.00 0.00 -1.82 -0.93 119.26 117.08 2yua h ALA 57 Ca 0.49 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.52 2yua h ALA 57 Cb 0.92 1.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.90 2yua h ALA 57 CO -0.60 -0.92 -0.33 0.39 0.00 0.00 0.00 179.25 177.79 2yua n GLU 58 N -5.07 -0.24 -0.07 0.00 4.71 -0.69 -1.25 120.64 118.04 2yua n GLU 58 Ca -0.00 1.27 -0.12 0.00 -0.01 0.00 0.00 57.16 58.30 2yua n GLU 58 Cb 0.26 -1.88 -0.07 0.00 -1.01 0.00 0.00 31.44 28.74 2yua n GLU 58 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2yua h ARG 59 N 0.00 -0.43 -1.00 3.49 9.65 -1.39 0.56 114.38 125.26 2yua h ARG 59 Ca 0.09 0.03 0.39 0.00 -1.10 0.00 0.00 59.98 59.39 2yua h ARG 59 Cb 0.23 0.10 -0.17 0.00 -1.39 0.00 0.00 29.97 28.73 2yua h ARG 59 CO -0.52 -0.28 0.53 0.35 2.80 0.00 0.00 179.97 182.84 2yua h PHE 60 N -0.44 0.82 -0.08 2.20 3.57 0.15 0.59 116.94 123.75 2yua h PHE 60 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2yua h PHE 60 Cb 0.62 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2yua h PHE 60 CO -0.59 -0.42 -0.01 1.15 -2.23 0.00 0.00 178.31 176.21 2yua h THR 61 N 0.07 1.27 0.34 4.41 2.02 0.16 -3.00 112.91 118.18 2yua h THR 61 Ca 0.82 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2yua h THR 61 Cb 2.10 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 2yua h THR 61 CO -0.74 0.24 -0.17 0.03 0.37 0.00 0.00 175.52 175.25 2yua h ARG 62 N -0.17 -0.45 -0.94 6.66 3.08 0.60 -2.81 114.38 120.35 2yua h ARG 62 Ca 0.02 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.35 2yua h ARG 62 Cb 0.38 0.10 -0.17 0.00 0.08 0.00 0.00 29.97 30.36 2yua h ARG 62 CO 0.01 -0.21 0.01 0.82 -1.07 0.00 0.00 179.97 179.52 2yua h ILE 63 N -0.60 0.09 -0.38 2.04 2.04 -0.69 0.46 117.51 120.47 2yua h ILE 63 Ca -0.05 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2yua h ILE 63 Cb 0.44 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2yua h ILE 63 CO 0.08 0.01 0.22 -1.28 0.00 0.00 0.00 178.15 177.18 2yua h SER 64 N 0.03 0.46 -0.95 1.72 0.87 -1.39 -2.55 113.55 111.74 2yua h SER 64 Ca 0.55 -0.06 0.20 0.00 -1.23 0.00 0.00 61.79 61.25 2yua h SER 64 Cb 1.09 -0.12 -0.11 0.00 -0.44 0.00 0.00 62.40 62.82 2yua h SER 64 CO -0.87 0.38 0.53 1.56 -0.53 0.00 0.00 176.83 177.90 2yua h GLN 65 N 0.49 0.60 -0.37 2.24 4.20 0.16 0.33 115.11 122.75 2yua h GLN 65 Ca 0.13 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2yua h GLN 65 Cb 0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2yua h GLN 65 CO -0.02 0.39 0.25 0.00 -0.67 0.00 0.00 178.83 178.78 2yua h ALA 66 N 1.67 1.78 -0.11 3.87 0.00 -0.99 -0.28 119.26 125.19 2yua h ALA 66 Ca 0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2yua h ALA 66 Cb 0.97 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2yua h ALA 66 CO -0.43 0.19 0.00 0.98 0.00 0.00 0.00 179.25 179.99 2yua n TYR 67 N -4.48 0.39 0.00 0.00 9.36 0.11 -3.35 117.16 119.19 2yua n TYR 67 Ca 0.03 -0.14 -0.00 0.00 3.32 0.00 0.00 57.90 61.11 2yua n TYR 67 Cb 0.09 -0.18 -0.00 0.00 -0.63 0.00 0.00 39.34 38.62 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 0.12 0.10 0.14 2.97 0.31 -0.12 -3.75 118.33 118.10 2yua n VAL 68 Ca 0.05 0.13 0.14 0.00 -0.01 0.00 0.00 64.34 64.65 2yua n VAL 68 Cb 0.43 -1.16 0.67 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.02 0.87 0.00 2.52 2.07 -1.70 -2.03 116.25 117.96 2yua h VAL 69 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 2yua h VAL 69 Cb 0.02 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2yua h VAL 69 CO 0.00 0.00 -2.11 0.18 0.02 0.00 0.00 177.57 175.66 2yua n LEU 70 N -4.45 0.00 0.11 2.57 4.77 -1.21 -2.23 117.00 116.56 2yua n LEU 70 Ca 0.03 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.17 2yua n LEU 70 Cb 0.33 0.20 0.48 0.00 -2.33 0.00 0.00 43.42 42.10 2yua n LEU 70 CO 0.35 0.20 1.15 1.23 -1.33 0.00 0.00 177.39 178.99 2yua h GLY 71 N 3.83 0.00 -6.77 -0.72 0.00 -1.45 -3.36 103.07 94.60 2yua h GLY 71 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.75 2yua h GLY 71 CO 0.01 0.00 -0.75 -0.56 0.00 0.00 0.00 176.54 175.24 2yua s SER 72 N -3.97 0.82 0.15 0.19 0.01 -1.24 -5.00 113.70 104.65 2yua s SER 72 Ca -0.03 -0.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.92 2yua s SER 72 Cb 0.10 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 2yua s SER 72 CO 0.33 -0.16 1.55 0.00 0.41 0.00 0.00 173.24 175.37 2yua h ALA 73 N 7.78 -0.61 -0.18 1.44 0.00 -1.88 -2.37 119.26 123.44 2yua h ALA 73 Ca -0.30 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2yua h ALA 73 Cb 1.13 1.18 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 2yua h ALA 73 CO 0.35 -0.98 -0.10 2.41 0.00 0.00 0.00 179.25 180.92 2yua n THR 74 N -5.34 -0.12 -0.24 0.00 -1.04 -1.26 -0.83 114.28 105.44 2yua n THR 74 Ca -0.01 1.24 -0.06 0.00 -2.04 0.00 0.00 64.05 63.18 2yua n THR 74 Cb 0.32 -1.61 -0.06 0.00 -1.82 0.00 0.00 70.33 67.16 2yua n THR 74 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2yua n LEU 75 N -3.25 -0.62 -0.33 -4.42 4.77 -0.90 0.78 117.00 113.03 2yua n LEU 75 Ca 0.00 1.36 0.20 0.00 -0.03 0.00 0.00 56.01 57.55 2yua n LEU 75 Cb 0.05 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 41.24 2yua n LEU 75 CO -0.03 -1.00 0.92 0.03 -1.33 0.00 0.00 177.39 175.97 2yua h ARG 76 N 0.00 0.04 -0.06 3.23 3.08 -0.51 1.67 114.38 121.83 2yua h ARG 76 Ca 0.09 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 2yua h ARG 76 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2yua h ARG 76 CO -0.55 0.03 -0.55 0.00 -1.07 0.00 0.00 179.97 177.83 2yua h ARG 77 N 0.04 0.17 0.62 0.04 -0.00 0.11 -3.00 114.38 112.36 2yua h ARG 77 Ca 0.68 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.98 60.02 2yua h ARG 77 Cb 1.57 0.01 0.01 0.00 0.00 0.00 0.00 29.97 31.56 2yua h ARG 77 CO -0.83 0.68 -0.30 0.87 0.00 0.00 0.00 179.97 180.39 2yua h LYS 78 N 0.13 -0.80 -0.98 0.04 1.57 0.50 -3.00 116.57 114.03 2yua h LYS 78 Ca -0.00 0.05 0.29 0.00 -1.87 0.00 0.00 60.65 59.12 2yua h LYS 78 Cb 1.01 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 2yua h LYS 78 CO 0.08 -0.53 0.71 -0.92 -0.57 0.00 0.00 179.45 178.22 2yua h TYR 79 N -1.07 0.00 -0.16 -1.35 3.20 -1.23 0.17 116.97 116.53 2yua h TYR 79 Ca -0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2yua h TYR 79 Cb 0.64 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2yua h TYR 79 CO 0.03 0.00 0.10 0.22 -1.64 0.00 0.00 178.16 176.87 2yua h ASP 80 N 0.00 0.18 0.08 -2.11 3.58 -1.39 -2.35 116.42 114.41 2yua h ASP 80 Ca 0.47 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.91 2yua h ASP 80 Cb 1.88 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.89 2yua h ASP 80 CO -0.00 0.13 -0.09 0.54 -2.88 0.00 0.00 179.24 176.93 2yua n ARG 81 N -4.98 1.37 -1.37 0.28 5.12 0.12 -4.92 116.66 112.28 2yua n ARG 81 Ca -0.04 -0.80 0.00 0.00 -1.93 0.00 0.00 57.85 55.08 2yua n ARG 81 Cb 0.03 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 1.24 0.57 0.12 -0.13 0.00 0.35 -4.95 105.19 102.38 2yua n GLY 82 Ca 0.16 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 -9.81 0.99 3.38 -1.10 -3.47 115.31 105.29 2yua h LEU 83 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2yua h LEU 83 Cb 0.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.31 2yua h LEU 83 CO 0.00 0.16 0.55 -0.22 0.09 0.00 0.00 178.44 179.02 2yua s LEU 84 N -5.62 4.49 0.32 1.67 2.96 -1.24 -4.88 118.68 116.38 2yua s LEU 84 Ca 0.00 2.42 0.10 0.00 -0.22 0.00 0.00 54.13 56.43 2yua s LEU 84 Cb 0.09 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 2yua s LEU 84 CO 0.78 -0.32 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.49 2yua s SER 85 N -0.60 3.98 0.29 3.68 1.04 -1.26 -4.86 113.70 115.97 2yua s SER 85 Ca 0.47 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 2yua s SER 85 Cb -0.35 -0.47 0.45 0.00 0.10 0.00 0.00 66.02 65.74 2yua s SER 85 CO 0.45 -0.14 1.92 0.44 0.98 0.00 0.00 173.24 176.89 2yua h ASP 86 N 1.97 0.98 -0.60 7.02 5.19 -2.02 -2.67 116.42 126.29 2yua h ASP 86 Ca -0.42 -0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.10 2yua h ASP 86 Cb 1.25 -0.22 -0.12 0.00 0.18 0.00 0.00 39.33 40.43 2yua h ASP 86 CO 0.65 0.66 -0.29 -0.33 -3.12 0.00 0.00 179.24 176.81 2yua h GLU 87 N 1.13 -0.12 -0.97 3.56 3.07 -2.01 -0.26 114.58 118.97 2yua h GLU 87 Ca 0.38 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.44 2yua h GLU 87 Cb 0.08 0.03 -0.18 0.00 -0.84 0.00 0.00 28.75 27.84 2yua h GLU 87 CO -0.13 -0.08 -0.25 -0.44 -1.40 0.00 0.00 179.01 176.71 2yua h ASP 88 N -0.13 -0.94 -0.83 1.42 3.32 -1.82 0.79 116.42 118.23 2yua h ASP 88 Ca 0.25 0.29 0.15 0.00 0.02 0.00 0.00 57.03 57.75 2yua h ASP 88 Cb 0.53 0.61 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 2yua h ASP 88 CO -0.67 -0.32 0.40 -0.07 -1.72 0.00 0.00 179.24 176.86 2yua h LEU 89 N -0.00 0.46 -0.85 1.55 3.38 -1.16 -2.30 115.31 116.39 2yua h LEU 89 Ca 0.46 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.64 2yua h LEU 89 Cb 0.70 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 2yua h LEU 89 CO -1.00 0.18 -0.38 0.54 0.09 0.00 0.00 178.44 177.87 2yua n ARG 90 N -4.91 -0.25 0.00 1.13 5.12 0.27 -4.83 116.66 113.19 2yua n ARG 90 Ca 0.17 1.30 0.00 0.00 -1.93 0.00 0.00 57.85 57.38 2yua n ARG 90 Cb 0.44 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 2yua n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2yua n GLY 91 N -1.34 3.78 3.65 -0.13 0.00 -0.86 -5.16 105.19 105.13 2yua n GLY 91 Ca 0.07 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.09 -0.03 0.00 1.61 0.04 -1.26 -4.91 135.00 128.36 2yua s PRO 92 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2yua s PRO 92 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2yua s PRO 92 CO 0.00 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.44 2yua n GLY 93 N -1.05 0.25 0.80 0.56 0.00 -1.26 -5.04 105.19 99.45 2yua n GLY 93 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.81 -3.65 1.61 7.64 -1.26 -5.13 113.62 113.65 2yua n SER 94 Ca 0.00 0.12 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 2yua n SER 94 Cb 0.00 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 2yua n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yua s GLY 95 N -4.78 0.15 0.00 0.23 0.00 -1.26 -5.00 107.32 96.67 2yua s GLY 95 Ca -0.09 2.98 0.16 0.00 0.00 0.00 0.00 44.72 47.77 2yua s GLY 95 CO 0.12 1.20 1.35 -1.55 0.00 0.00 0.00 173.10 174.22 2yua n PRO 96 N 0.61 0.46 -4.58 2.90 -0.04 -1.26 -4.62 135.00 128.47 2yua n PRO 96 Ca -0.00 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.24 2yua n PRO 96 Cb 0.59 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 2yua n PRO 96 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yua s SER 97 N -2.05 1.65 -0.13 3.54 1.04 -1.26 -5.05 113.70 111.44 2yua s SER 97 Ca 0.23 -0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.17 2yua s SER 97 Cb 0.11 -0.51 -0.20 0.00 0.10 0.00 0.00 66.02 65.52 2yua s SER 97 CO 0.19 0.09 0.61 0.28 0.98 0.00 0.00 173.24 175.38 2yua h SER 98 N 6.44 -0.00 0.00 7.02 0.02 -2.03 -3.51 113.55 121.49 2yua h SER 98 Ca -0.33 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 2yua h SER 98 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2yua h SER 98 CO 0.48 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.65