#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 1.94 -4.72 1.61 2.88 -1.26 -4.92 113.62 109.16 2yua n SER 2 Ca 0.00 0.31 -0.42 0.00 -1.33 0.00 0.00 58.87 57.43 2yua n SER 2 Cb 0.00 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 62.59 2yua n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yua s SER 3 N -7.10 6.78 0.25 -3.46 0.15 -1.26 -4.91 113.70 104.15 2yua s SER 3 Ca -0.33 2.39 -0.19 0.00 0.70 0.00 0.00 55.95 58.52 2yua s SER 3 Cb 0.10 -2.59 -0.13 0.00 -1.71 0.00 0.00 66.02 61.69 2yua s SER 3 CO 0.57 -0.68 0.20 0.61 1.20 0.00 0.00 173.24 175.14 2yua n GLY 4 N 3.49 -1.83 3.28 9.45 0.00 -1.26 -4.98 105.19 113.34 2yua n GLY 4 Ca 0.12 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.78 -0.51 0.04 1.61 0.01 -1.26 -5.17 113.70 107.65 2yua s SER 5 Ca 0.48 0.88 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 2yua s SER 5 Cb -0.59 0.78 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2yua s SER 5 CO 0.47 -0.19 0.20 -0.55 0.41 0.00 0.00 173.24 173.59 2yua s SER 6 N 1.23 0.02 0.26 2.44 0.15 -1.26 -5.18 113.70 111.37 2yua s SER 6 Ca -0.08 -0.37 -0.20 0.00 0.70 0.00 0.00 55.95 56.00 2yua s SER 6 Cb -0.08 0.30 0.07 0.00 -1.71 0.00 0.00 66.02 64.60 2yua s SER 6 CO -0.11 -0.57 0.94 -0.83 1.20 0.00 0.00 173.24 173.87 2yua s GLY 7 N -2.13 0.20 1.05 9.45 0.00 -1.26 -5.16 107.32 109.47 2yua s GLY 7 Ca -0.04 -0.49 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 2yua s GLY 7 CO -0.04 1.39 -0.84 -1.14 0.00 0.00 0.00 173.10 172.46 2yua n SER 8 N -1.28 -2.89 -4.13 1.64 3.41 -1.26 -4.85 113.62 104.26 2yua n SER 8 Ca -0.05 -0.03 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 2yua n SER 8 Cb 0.60 -0.72 0.09 0.00 -0.26 0.00 0.00 64.21 63.92 2yua n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yua n GLN 9 N 0.55 -0.55 0.00 4.33 10.64 -1.26 -4.85 117.38 126.24 2yua n GLN 9 Ca -0.01 -0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 2yua n GLN 9 Cb 0.69 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.75 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2yua n GLY 10 N 2.81 0.54 0.27 2.61 0.00 -1.26 -5.02 105.19 105.14 2yua n GLY 10 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2yua n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2yua h ASP 11 N 0.00 -0.51 -0.81 1.61 3.04 -1.88 -3.28 116.42 114.58 2yua h ASP 11 Ca 0.00 -0.03 0.20 0.00 -3.24 0.00 0.00 57.03 53.95 2yua h ASP 11 Cb 0.00 0.13 -0.14 0.00 -1.04 0.00 0.00 39.33 38.28 2yua h ASP 11 CO 0.00 -0.09 0.07 0.00 -2.04 0.00 0.00 179.24 177.18 2yua n SER 13 N -5.32 -0.92 -4.00 0.00 2.88 -1.24 -4.53 113.62 100.49 2yua n SER 13 Ca 0.17 1.55 -0.14 0.00 -1.33 0.00 0.00 58.87 59.12 2yua n SER 13 Cb 0.55 -0.20 -0.13 0.00 -0.75 0.00 0.00 64.21 63.69 2yua n SER 13 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2yua s TYR 14 N -5.43 0.49 -0.39 0.66 -0.85 -0.62 -5.11 117.35 106.10 2yua s TYR 14 Ca -0.10 -0.31 -0.29 0.00 -0.52 0.00 0.00 57.07 55.85 2yua s TYR 14 Cb 0.10 -0.31 0.01 0.00 0.38 0.00 0.00 41.96 42.14 2yua s TYR 14 CO 0.54 -0.06 1.39 -1.12 -1.52 0.00 0.00 175.55 174.78 2yua s SER 15 N -0.90 6.41 -0.02 -0.18 0.01 -1.26 -4.71 113.70 113.05 2yua s SER 15 Ca -0.05 0.91 0.02 0.00 1.31 0.00 0.00 55.95 58.13 2yua s SER 15 Cb -0.06 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2yua s SER 15 CO -0.00 -1.36 0.01 -2.11 0.41 0.00 0.00 173.24 170.19 2yua n ARG 16 N 7.92 3.38 0.00 12.44 0.00 -1.26 -4.61 116.66 134.53 2yua n ARG 16 Ca 0.16 -0.00 0.14 0.00 -0.00 0.00 0.00 57.85 58.15 2yua n ARG 16 Cb 0.48 -1.06 0.47 0.00 -0.00 0.00 0.00 32.46 32.35 2yua n ARG 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yua n THR 17 N -2.06 0.00 0.13 8.89 -2.24 -1.26 -4.23 114.28 113.52 2yua n THR 17 Ca -0.04 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 2yua n THR 17 Cb 0.55 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 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 4.33 -0.38 -0.41 6.98 0.00 -1.96 -2.11 119.26 125.71 2yua h ALA 18 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2yua h ALA 18 Cb 0.55 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2yua h ALA 18 CO 0.00 -0.48 0.71 -0.07 0.00 0.00 0.00 179.25 179.41 2yua h LEU 19 N -0.84 0.00 0.05 0.00 3.38 -1.88 0.88 115.31 116.90 2yua h LEU 19 Ca -0.04 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.62 2yua h LEU 19 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2yua h LEU 19 CO 0.06 0.00 -1.77 1.88 0.09 0.00 0.00 178.44 178.70 2yua h TYR 20 N 0.00 0.19 0.00 1.13 -1.99 -1.77 -3.33 116.97 111.21 2yua h TYR 20 Ca 0.19 -0.14 -0.14 0.00 2.00 0.00 0.00 58.73 60.64 2yua h TYR 20 Cb 1.61 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 40.31 2yua h TYR 20 CO 0.00 1.29 -0.66 0.22 -0.00 0.00 0.00 178.16 179.01 2yua h ASP 21 N 0.03 0.00 -0.14 3.88 3.58 0.13 0.18 116.42 124.08 2yua h ASP 21 Ca -0.32 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.11 2yua h ASP 21 Cb 2.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.06 2yua h ASP 21 CO 0.09 0.66 0.03 -0.07 -2.88 0.00 0.00 179.24 177.06 2yua h LEU 22 N 0.00 0.23 0.01 2.28 4.07 -0.83 -3.31 115.31 117.75 2yua h LEU 22 Ca -0.01 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 2yua h LEU 22 Cb 1.26 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2yua h LEU 22 CO 0.09 0.42 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.68 2yua h LEU 23 N 0.02 0.04 0.00 1.67 4.07 -1.66 -3.49 115.31 115.96 2yua h LEU 23 Ca 0.04 -0.98 0.00 0.00 0.08 0.00 0.00 57.88 57.02 2yua h LEU 23 Cb 0.29 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.02 2yua h LEU 23 CO 0.00 1.05 0.00 0.61 -1.08 0.00 0.00 178.44 179.02 2yua n GLY 24 N 1.61 1.89 3.60 0.83 0.00 0.00 -4.81 105.19 108.31 2yua n GLY 24 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 3.44 1.19 1.61 -7.23 -0.89 -5.03 120.40 111.50 2yua s VAL 25 Ca 0.00 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 2yua s VAL 25 Cb 0.00 -2.64 0.28 0.00 0.56 0.00 0.00 36.38 34.57 2yua s VAL 25 CO 0.00 0.05 1.11 -2.16 -0.31 0.00 0.00 175.10 173.79 2yua s PRO 26 N -2.40 -1.09 0.48 4.82 0.04 -1.26 -4.58 135.00 131.00 2yua s PRO 26 Ca 0.23 -0.01 0.27 0.00 0.04 0.00 0.00 61.00 61.53 2yua s PRO 26 Cb -0.11 -1.61 0.86 0.00 0.04 0.00 0.00 34.50 33.69 2yua s PRO 26 CO 0.15 -3.64 1.80 1.03 0.04 0.00 0.00 177.00 176.38 2yua h SER 27 N -2.53 0.00 -0.33 6.66 0.87 -2.00 -3.01 113.55 113.21 2yua h SER 27 Ca -0.46 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 2yua h SER 27 Cb 1.30 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 2yua h SER 27 CO 0.36 0.06 0.01 0.35 -0.53 0.00 0.00 176.83 177.08 2yua n THR 28 N -3.14 2.43 -0.20 2.23 -2.24 -1.26 -5.03 114.28 107.07 2yua n THR 28 Ca 0.02 -2.18 -0.20 0.00 -2.27 0.00 0.00 64.05 59.42 2yua n THR 28 Cb 0.43 -0.29 0.19 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.75 -3.36 -2.64 6.98 0.00 -1.14 -5.06 120.51 114.54 2yua n ALA 29 Ca 0.27 -1.01 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 2yua n ALA 29 Cb 0.99 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.76 1.23 0.33 0.00 -1.32 -1.26 -5.00 115.64 107.86 2yua s THR 30 Ca 0.44 -1.42 0.09 0.00 -1.21 0.00 0.00 61.69 59.59 2yua s THR 30 Cb -0.07 -1.23 0.38 0.00 -1.51 0.00 0.00 72.50 70.07 2yua s THR 30 CO 0.37 -0.24 1.58 -0.61 -2.21 0.00 0.00 174.62 173.50 2yua h GLN 31 N 4.10 0.02 -0.46 7.08 5.75 -1.96 0.59 115.11 130.25 2yua h GLN 31 Ca -0.41 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.17 2yua h GLN 31 Cb 1.19 -0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.66 2yua h GLN 31 CO 0.42 0.01 -0.05 0.00 -2.65 0.00 0.00 178.83 176.57 2yua h ALA 32 N 1.98 0.37 0.17 3.38 0.00 -1.99 0.60 119.26 123.78 2yua h ALA 32 Ca 0.70 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.75 2yua h ALA 32 Cb 1.62 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2yua h ALA 32 CO -0.85 -0.42 -0.08 1.96 0.00 0.00 0.00 179.25 179.86 2yua h GLN 33 N 0.06 -0.22 -1.23 0.00 4.20 -0.33 -1.76 115.11 115.82 2yua h GLN 33 Ca 0.22 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.31 2yua h GLN 33 Cb 0.34 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 2yua h GLN 33 CO -0.42 0.19 0.83 0.82 -0.67 0.00 0.00 178.83 179.59 2yua h ILE 34 N -0.87 0.34 0.00 2.54 2.04 -0.77 0.11 117.51 120.89 2yua h ILE 34 Ca -0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2yua h ILE 34 Cb 0.52 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2yua h ILE 34 CO 0.04 0.03 -0.00 0.50 0.00 0.00 0.00 178.15 178.72 2yua h LYS 35 N 0.16 -0.00 -0.87 2.37 3.64 -0.88 -3.17 116.57 117.82 2yua h LYS 35 Ca 0.67 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 60.25 2yua h LYS 35 Cb 2.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.96 2yua h LYS 35 CO -0.22 0.86 0.58 0.00 -2.27 0.00 0.00 179.45 178.40 2yua h ALA 36 N -0.12 2.21 0.05 5.00 0.00 -0.12 -2.41 119.26 123.88 2yua h ALA 36 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2yua h ALA 36 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2yua h ALA 36 CO 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 179.25 178.75 2yua h ALA 37 N 1.62 -0.71 -0.91 0.00 0.00 -0.97 -3.04 119.26 115.25 2yua h ALA 37 Ca 0.44 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.51 2yua h ALA 37 Cb 1.12 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 2yua h ALA 37 CO -0.16 -0.70 -0.24 0.98 0.00 0.00 0.00 179.25 179.13 2yua n TYR 38 N -2.25 0.29 -0.24 0.00 9.36 -1.11 0.10 117.16 123.32 2yua n TYR 38 Ca -0.01 1.11 0.04 0.00 3.32 0.00 0.00 57.90 62.36 2yua n TYR 38 Cb 0.03 -1.00 0.15 0.00 -0.63 0.00 0.00 39.34 37.88 2yua n TYR 38 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2yua h TYR 39 N 0.00 0.06 -0.29 2.98 -1.99 -1.50 -0.25 116.97 115.99 2yua h TYR 39 Ca 0.42 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.19 2yua h TYR 39 Cb 0.65 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 2yua h TYR 39 CO -0.71 -0.16 0.16 0.00 -0.00 0.00 0.00 178.16 177.44 2yua h ARG 40 N 0.16 0.41 -0.74 4.88 3.08 0.79 -2.79 114.38 120.18 2yua h ARG 40 Ca 0.38 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.51 2yua h ARG 40 Cb 0.65 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.54 2yua h ARG 40 CO -0.57 0.35 0.31 1.96 -1.07 0.00 0.00 179.97 180.96 2yua h GLN 41 N 0.36 0.48 -0.53 0.04 7.50 -0.39 -1.25 115.11 121.32 2yua h GLN 41 Ca 0.10 -0.03 0.10 0.00 0.50 0.00 0.00 58.65 59.33 2yua h GLN 41 Cb 0.06 -0.11 -0.11 0.00 0.05 0.00 0.00 27.48 27.38 2yua h GLN 41 CO -0.02 0.31 -0.28 0.00 -1.50 0.00 0.00 178.83 177.34 2yua h PHE 43 N -0.15 0.04 -0.80 0.00 3.04 -1.37 0.27 116.94 117.97 2yua h PHE 43 Ca 0.23 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.35 2yua h PHE 43 Cb 0.52 -0.01 -0.15 0.00 2.56 0.00 0.00 35.95 38.87 2yua h PHE 43 CO -0.57 0.31 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.89 2yua h LEU 44 N -0.23 -0.52 -4.20 0.59 3.38 -0.41 -1.46 115.31 112.45 2yua h LEU 44 Ca 0.01 0.22 -0.58 0.00 0.09 0.00 0.00 57.88 57.62 2yua h LEU 44 Cb 0.29 0.42 -0.42 0.00 0.09 0.00 0.00 40.66 41.04 2yua h LEU 44 CO 0.00 -0.23 -0.72 -1.22 0.09 0.00 0.00 178.44 176.36 2yua n TYR 45 N -5.43 3.13 -2.06 1.13 4.02 -0.26 -5.07 117.16 112.62 2yua n TYR 45 Ca 0.14 -2.73 -0.40 0.00 -0.01 0.00 0.00 57.90 54.90 2yua n TYR 45 Cb 0.48 -0.23 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 2yua n TYR 45 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2yua s HIS 46 N -3.58 2.93 0.29 -0.72 2.46 0.96 -4.88 115.29 112.75 2yua s HIS 46 Ca 0.50 1.38 0.15 0.00 0.47 0.00 0.00 55.06 57.56 2yua s HIS 46 Cb 0.41 -3.72 0.68 0.00 -0.13 0.00 0.00 32.58 29.81 2yua s HIS 46 CO -0.10 -2.06 1.77 -1.00 -2.47 0.00 0.00 174.74 170.88 2yua h PRO 47 N 3.16 0.00 -0.44 2.88 0.13 -1.88 -3.12 132.00 132.71 2yua h PRO 47 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2yua h PRO 47 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2yua h PRO 47 CO 0.65 0.42 0.13 0.22 -0.23 0.00 0.00 178.00 179.18 2yua h ASP 48 N 0.00 0.66 -2.09 1.44 3.58 -1.96 -3.13 116.42 114.91 2yua h ASP 48 Ca -0.00 -0.22 -0.79 0.00 0.42 0.00 0.00 57.03 56.44 2yua h ASP 48 Cb 0.81 -0.17 -0.27 0.00 1.72 0.00 0.00 39.33 41.42 2yua h ASP 48 CO 0.05 0.70 1.06 0.54 -2.88 0.00 0.00 179.24 178.71 2yua n ARG 49 N -4.54 3.78 -3.31 0.28 1.74 -1.18 -4.85 116.66 108.58 2yua n ARG 49 Ca 0.00 -3.96 0.03 0.00 -0.77 0.00 0.00 57.85 53.16 2yua n ARG 49 Cb 0.20 -2.35 -0.03 0.00 -1.02 0.00 0.00 32.46 29.26 2yua n ARG 49 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2yua s ASN 50 N -1.18 -0.52 -0.07 0.55 0.01 -1.18 -4.81 114.94 107.73 2yua s ASN 50 Ca 0.47 0.60 0.01 0.00 -0.71 0.00 0.00 52.86 53.23 2yua s ASN 50 Cb 0.35 1.55 0.02 0.00 0.41 0.00 0.00 41.25 43.57 2yua s ASN 50 CO -0.31 -0.10 -0.08 -0.55 -1.51 0.00 0.00 177.10 174.55 2yua s SER 51 N 2.53 1.64 0.00 -1.22 0.15 -1.26 -4.79 113.70 110.74 2yua s SER 51 Ca -0.01 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2yua s SER 51 Cb -0.07 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 2yua s SER 51 CO -0.16 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2yua n GLY 52 N 4.29 2.13 3.52 9.45 0.00 -1.26 -4.95 105.19 118.37 2yua n GLY 52 Ca -0.19 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2yua n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 53 N 1.24 0.39 0.30 1.61 7.64 -1.26 -4.78 113.62 118.76 2yua n SER 53 Ca 0.00 -0.29 -0.17 0.00 1.01 0.00 0.00 58.87 59.42 2yua n SER 53 Cb 0.00 -1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 62.09 2yua n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yua h ALA 54 N 13.27 -0.86 -0.17 -0.43 0.00 -2.01 -3.11 119.26 125.95 2yua h ALA 54 Ca -0.06 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2yua h ALA 54 Cb 1.23 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 2yua h ALA 54 CO 1.37 -1.01 -0.45 1.05 0.00 0.00 0.00 179.25 180.22 2yua h GLU 55 N -0.85 -0.47 -0.71 0.00 4.11 -2.01 -1.21 114.58 113.45 2yua h GLU 55 Ca -0.06 0.03 0.21 0.00 0.07 0.00 0.00 59.36 59.61 2yua h GLU 55 Cb 0.70 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.93 2yua h GLU 55 CO 0.04 -0.31 0.07 0.00 0.07 0.00 0.00 179.01 178.88 2yua n ALA 56 N -2.97 0.42 0.44 1.06 0.00 -1.18 0.41 120.51 118.69 2yua n ALA 56 Ca -0.04 0.75 -0.18 0.00 0.00 0.00 0.00 53.44 53.97 2yua n ALA 56 Cb 0.36 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 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 1.41 -1.11 -0.32 0.00 0.00 -1.19 -1.72 119.26 116.33 2yua h ALA 57 Ca 0.46 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2yua h ALA 57 Cb 1.00 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 2yua h ALA 57 CO -0.65 -1.08 -0.38 0.93 0.00 0.00 0.00 179.25 178.07 2yua h GLU 58 N -1.19 -0.33 -0.06 0.00 4.39 0.08 -1.72 114.58 115.75 2yua h GLU 58 Ca -0.11 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.64 2yua h GLU 58 Cb 0.86 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 2yua h GLU 58 CO 0.19 -0.22 -0.47 -0.09 -1.16 0.00 0.00 179.01 177.25 2yua h ARG 59 N -0.34 -0.56 -0.76 2.33 9.65 -1.17 -1.93 114.38 121.60 2yua h ARG 59 Ca 0.13 0.04 0.14 0.00 -1.10 0.00 0.00 59.98 59.19 2yua h ARG 59 Cb 0.57 0.13 -0.14 0.00 -1.39 0.00 0.00 29.97 29.14 2yua h ARG 59 CO -0.50 -0.37 -0.28 0.35 2.80 0.00 0.00 179.97 181.96 2yua h PHE 60 N -0.58 -0.72 -0.72 2.20 3.57 -0.74 0.32 116.94 120.27 2yua h PHE 60 Ca 0.04 0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.76 2yua h PHE 60 Cb 0.67 0.43 -0.10 0.00 2.79 0.00 0.00 35.95 39.75 2yua h PHE 60 CO -0.50 -0.37 0.24 1.15 -2.23 0.00 0.00 178.31 176.61 2yua h THR 61 N -0.06 0.62 0.36 4.41 2.02 -0.58 -1.98 112.91 117.71 2yua h THR 61 Ca 0.32 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 2yua h THR 61 Cb 0.58 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2yua h THR 61 CO -0.80 0.07 -0.17 0.03 0.37 0.00 0.00 175.52 175.01 2yua h ARG 62 N 0.37 -0.47 -0.97 6.66 3.08 0.02 -3.24 114.38 119.83 2yua h ARG 62 Ca 0.40 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.66 2yua h ARG 62 Cb 0.62 0.11 -0.18 0.00 0.08 0.00 0.00 29.97 30.60 2yua h ARG 62 CO -0.43 -0.15 -0.28 -0.89 -1.07 0.00 0.00 179.97 177.15 2yua n ILE 63 N -5.15 -0.44 -0.24 2.04 5.41 0.53 0.88 119.36 122.39 2yua n ILE 63 Ca -0.09 2.24 0.05 0.00 1.00 0.00 0.00 62.75 65.95 2yua n ILE 63 Cb 0.28 -3.07 0.17 0.00 -0.71 0.00 0.00 39.64 36.32 2yua n ILE 63 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2yua h SER 64 N 0.00 0.10 -0.88 4.38 0.87 -1.41 0.14 113.55 116.76 2yua h SER 64 Ca 0.43 0.13 0.21 0.00 -1.23 0.00 0.00 61.79 61.33 2yua h SER 64 Cb 0.68 0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 62.67 2yua h SER 64 CO -0.99 0.01 0.38 1.56 -0.53 0.00 0.00 176.83 177.26 2yua h GLN 65 N 0.32 0.40 -0.38 2.24 1.08 0.46 0.45 115.11 119.68 2yua h GLN 65 Ca 0.40 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.60 2yua h GLN 65 Cb 0.65 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2yua h GLN 65 CO -0.46 0.27 0.26 0.00 -0.95 0.00 0.00 178.83 177.94 2yua h ALA 66 N 1.68 1.80 -0.23 3.87 0.00 -0.86 -0.26 119.26 125.27 2yua h ALA 66 Ca 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 2yua h ALA 66 Cb 0.99 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2yua h ALA 66 CO -0.51 0.16 0.04 0.98 0.00 0.00 0.00 179.25 179.93 2yua n TYR 67 N -4.48 0.79 -0.01 0.00 9.36 0.15 -3.01 117.16 119.96 2yua n TYR 67 Ca 0.03 -0.39 -0.04 0.00 3.32 0.00 0.00 57.90 60.82 2yua n TYR 67 Cb 0.12 -0.29 -0.01 0.00 -0.63 0.00 0.00 39.34 38.52 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 0.16 0.51 0.09 2.97 0.31 -0.12 -4.05 118.33 118.21 2yua n VAL 68 Ca 0.12 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.34 2yua n VAL 68 Cb 0.65 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.18 1.45 0.00 2.52 2.07 -1.66 -3.29 116.25 117.16 2yua h VAL 69 Ca -0.10 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.65 2yua h VAL 69 Cb 0.89 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2yua h VAL 69 CO -0.06 0.82 -1.23 0.18 0.02 0.00 0.00 177.57 177.29 2yua n LEU 70 N -3.63 0.58 -0.29 2.57 4.77 -1.16 -1.65 117.00 118.18 2yua n LEU 70 Ca -0.08 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2yua n LEU 70 Cb 0.94 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 42.17 2yua n LEU 70 CO 0.53 -0.07 0.82 1.23 -1.33 0.00 0.00 177.39 178.57 2yua h GLY 71 N 4.17 0.99 -7.48 -0.72 0.00 -1.69 -3.35 103.07 94.99 2yua h GLY 71 Ca 0.00 0.12 -0.67 0.00 0.00 0.00 0.00 47.33 46.78 2yua h GLY 71 CO 0.00 -0.36 -0.58 -0.56 0.00 0.00 0.00 176.54 175.04 2yua s SER 72 N -5.14 5.41 0.36 0.19 0.01 -1.26 -4.96 113.70 108.31 2yua s SER 72 Ca -0.13 -0.44 0.27 0.00 1.31 0.00 0.00 55.95 56.96 2yua s SER 72 Cb 0.25 -1.97 1.23 0.00 0.21 0.00 0.00 66.02 65.73 2yua s SER 72 CO 0.76 -0.14 1.29 0.00 0.41 0.00 0.00 173.24 175.55 2yua n ALA 73 N 4.96 1.13 -0.23 1.44 0.00 -1.26 -1.11 120.51 125.44 2yua n ALA 73 Ca -0.15 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2yua n ALA 73 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2yua n ALA 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yua n THR 74 N -4.34 0.00 -0.48 0.00 -1.04 -1.26 -2.14 114.28 105.02 2yua n THR 74 Ca 0.33 1.17 0.40 0.00 -2.04 0.00 0.00 64.05 63.91 2yua n THR 74 Cb 1.29 -2.12 0.65 0.00 -1.82 0.00 0.00 70.33 68.34 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 -1.66 0.17 -0.11 -4.42 4.77 -0.26 0.19 117.00 115.68 2yua n LEU 75 Ca 0.00 1.24 -0.11 0.00 -0.03 0.00 0.00 56.01 57.12 2yua n LEU 75 Cb 0.00 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 2yua n LEU 75 CO 0.00 -1.34 0.78 -0.09 -1.33 0.00 0.00 177.39 175.42 2yua h ARG 76 N 0.00 0.58 -0.55 3.23 1.12 -0.70 -2.62 114.38 115.43 2yua h ARG 76 Ca 0.83 -0.18 -0.09 0.00 -1.11 0.00 0.00 59.98 59.43 2yua h ARG 76 Cb 2.79 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 32.68 2yua h ARG 76 CO -0.37 0.70 -0.01 0.07 -3.11 0.00 0.00 179.97 177.25 2yua h ARG 77 N 0.38 0.99 0.33 0.20 0.11 0.27 -2.72 114.38 113.93 2yua h ARG 77 Ca 0.09 -0.32 0.00 0.00 0.10 0.00 0.00 59.98 59.86 2yua h ARG 77 Cb 0.43 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 2yua h ARG 77 CO 0.02 0.99 -0.40 0.87 0.10 0.00 0.00 179.97 181.55 2yua h LYS 78 N 0.87 -0.74 -0.77 0.08 1.57 -1.15 -2.40 116.57 114.02 2yua h LYS 78 Ca 0.16 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.11 2yua h LYS 78 Cb 0.55 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.95 2yua h LYS 78 CO 0.03 -0.50 0.37 -0.92 -0.57 0.00 0.00 179.45 177.87 2yua h TYR 79 N -0.77 0.66 -1.01 -1.35 3.20 -1.47 0.64 116.97 116.86 2yua h TYR 79 Ca -0.02 0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.12 2yua h TYR 79 Cb 0.71 -0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.70 2yua h TYR 79 CO -0.25 0.18 0.63 -0.44 -1.64 0.00 0.00 178.16 176.63 2yua h ASP 80 N 0.58 0.59 -0.01 -2.11 3.32 -1.11 0.31 116.42 117.98 2yua h ASP 80 Ca 0.41 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2yua h ASP 80 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2yua h ASP 80 CO -0.33 0.14 -0.45 0.54 -1.72 0.00 0.00 179.24 177.42 2yua n ARG 81 N -4.73 1.32 -0.75 3.56 5.12 -0.09 -4.96 116.66 116.13 2yua n ARG 81 Ca 0.25 -0.97 0.00 0.00 -1.93 0.00 0.00 57.85 55.20 2yua n ARG 81 Cb 0.76 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 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 1.37 0.60 0.04 -0.13 0.00 0.17 -4.92 105.19 102.32 2yua n GLY 82 Ca 0.09 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2yua n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yua n LEU 83 N 0.00 0.23 -4.71 0.99 4.77 0.16 -4.72 117.00 113.73 2yua n LEU 83 Ca 0.00 0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 56.12 2yua n LEU 83 Cb 0.00 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 2yua n LEU 83 CO 0.00 -0.22 0.43 -0.22 -1.33 0.00 0.00 177.39 176.05 2yua s LEU 84 N -3.47 4.29 -0.01 2.23 2.96 -1.23 -4.87 118.68 118.58 2yua s LEU 84 Ca 0.09 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.16 2yua s LEU 84 Cb 0.13 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2yua s LEU 84 CO 0.42 -0.16 0.13 -0.44 -1.32 0.00 0.00 176.35 174.98 2yua s SER 85 N 0.87 6.03 0.60 3.68 0.01 -1.26 -4.86 113.70 118.76 2yua s SER 85 Ca 0.37 0.25 0.29 0.00 1.31 0.00 0.00 55.95 58.17 2yua s SER 85 Cb -0.18 -1.82 1.23 0.00 0.21 0.00 0.00 66.02 65.47 2yua s SER 85 CO 0.17 0.27 1.60 -2.24 0.41 0.00 0.00 173.24 173.46 2yua h ASP 86 N 3.97 0.00 -1.15 2.44 3.04 -1.99 0.17 116.42 122.91 2yua h ASP 86 Ca -0.49 0.00 0.33 0.00 -3.24 0.00 0.00 57.03 53.62 2yua h ASP 86 Cb 1.19 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.41 2yua h ASP 86 CO 0.65 0.00 0.80 -0.33 -2.04 0.00 0.00 179.24 178.33 2yua h GLU 87 N 0.00 0.10 -0.61 4.15 5.08 -1.93 0.40 114.58 121.78 2yua h GLU 87 Ca 0.37 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.66 2yua h GLU 87 Cb 2.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 2yua h GLU 87 CO -0.00 0.06 0.11 0.22 -1.00 0.00 0.00 179.01 178.40 2yua h ASP 88 N 0.10 0.95 0.57 1.42 1.82 -0.82 -0.32 116.42 120.13 2yua h ASP 88 Ca 0.58 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.94 2yua h ASP 88 Cb 2.07 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.82 2yua h ASP 88 CO -0.09 0.96 -0.45 -0.07 -1.61 0.00 0.00 179.24 177.98 2yua h LEU 89 N 0.90 -1.20 -1.15 2.28 3.38 -0.37 -2.79 115.31 116.36 2yua h LEU 89 Ca 0.19 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2yua h LEU 89 Cb 0.40 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2yua h LEU 89 CO 0.01 -0.64 0.51 0.08 0.09 0.00 0.00 178.44 178.50 2yua h ARG 90 N -0.99 1.09 0.00 1.13 -0.00 -1.56 -3.47 114.38 110.59 2yua h ARG 90 Ca -0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 2yua h ARG 90 Cb 0.82 -0.24 0.00 0.00 -0.00 0.00 0.00 29.97 30.56 2yua h ARG 90 CO 0.01 0.74 0.00 0.41 -0.00 0.00 0.00 179.97 181.13 2yua n GLY 91 N -1.34 3.96 0.21 0.08 0.00 -0.13 -4.99 105.19 102.98 2yua n GLY 91 Ca 0.09 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.61 2yua n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua h PRO 92 N 0.00 0.00 0.00 1.61 0.13 -1.74 -3.38 132.00 128.63 2yua h PRO 92 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2yua h PRO 92 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yua h PRO 92 CO 0.00 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.46 2yua n GLY 93 N -0.09 0.93 3.60 1.56 0.00 -1.26 -5.01 105.19 104.92 2yua n GLY 93 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2yua n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 94 N -1.13 6.66 0.44 1.61 1.04 -1.26 -5.04 113.70 116.02 2yua s SER 94 Ca 0.00 0.55 0.06 0.00 0.48 0.00 0.00 55.95 57.04 2yua s SER 94 Cb 0.00 -2.46 0.01 0.00 0.10 0.00 0.00 66.02 63.67 2yua s SER 94 CO 0.00 -0.86 0.60 -0.83 0.98 0.00 0.00 173.24 173.14 2yua s GLY 95 N 1.89 1.86 0.00 7.32 0.00 -1.26 -4.97 107.32 112.15 2yua s GLY 95 Ca 0.38 -1.54 0.11 0.00 0.00 0.00 0.00 44.72 43.67 2yua s GLY 95 CO 0.19 -1.35 1.11 -1.55 0.00 0.00 0.00 173.10 171.49 2yua n PRO 96 N -1.93 0.49 -0.11 2.90 -0.04 -1.26 -3.13 135.00 131.92 2yua n PRO 96 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2yua n PRO 96 Cb 0.59 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.61 2yua n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yua n SER 97 N -0.86 1.90 -4.08 3.54 7.64 -1.26 -4.82 113.62 115.69 2yua n SER 97 Ca 0.08 0.41 -0.35 0.00 1.01 0.00 0.00 58.87 60.02 2yua n SER 97 Cb 0.04 -0.85 -0.12 0.00 -1.01 0.00 0.00 64.21 62.27 2yua n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yua s SER 98 N -6.73 5.07 0.00 6.43 0.15 -1.18 -5.27 113.70 112.16 2yua s SER 98 Ca -0.30 -2.46 0.00 0.00 0.70 0.00 0.00 55.95 53.89 2yua s SER 98 Cb 0.08 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2yua s SER 98 CO 0.46 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.09