#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 5.00 -1.62 1.61 0.01 -1.26 -4.05 113.70 113.39 2yua s SER 2 Ca 0.00 -1.40 -0.07 0.00 1.31 0.00 0.00 55.95 55.78 2yua s SER 2 Cb 0.00 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.72 2yua s SER 2 CO 0.00 -3.06 0.30 -1.20 0.41 0.00 0.00 173.24 169.69 2yua n SER 3 N 14.49 -0.37 0.00 2.44 7.64 -1.26 -4.85 113.62 131.71 2yua n SER 3 Ca 0.44 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 59.12 2yua n SER 3 Cb 0.47 -1.99 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 2yua n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yua n GLY 4 N -2.01 4.25 4.35 0.23 0.00 -1.26 -4.93 105.19 105.83 2yua n GLY 4 Ca -0.18 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2yua n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 5 N 0.00 -1.24 -4.80 1.61 7.64 -1.26 -4.89 113.62 110.68 2yua n SER 5 Ca 0.00 -1.19 -0.24 0.00 1.01 0.00 0.00 58.87 58.46 2yua n SER 5 Cb 0.00 -1.51 0.08 0.00 -1.01 0.00 0.00 64.21 61.77 2yua n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yua s SER 6 N -3.35 4.68 0.00 6.43 0.01 -1.26 -5.02 113.70 115.19 2yua s SER 6 Ca 0.65 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2yua s SER 6 Cb -0.38 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2yua s SER 6 CO 0.97 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2yua n GLY 7 N -2.76 -0.89 3.45 3.44 0.00 -1.26 -5.19 105.19 101.98 2yua n GLY 7 Ca 0.11 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 2yua n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 8 N 0.00 0.39 0.08 1.61 0.01 -1.26 -5.18 113.70 109.34 2yua s SER 8 Ca 0.00 -1.27 -0.06 0.00 1.31 0.00 0.00 55.95 55.93 2yua s SER 8 Cb 0.00 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 2yua s SER 8 CO 0.00 -1.12 0.11 0.00 0.41 0.00 0.00 173.24 172.64 2yua s GLN 9 N -3.69 0.77 -0.38 12.44 0.00 -1.26 -5.10 119.66 122.44 2yua s GLN 9 Ca 0.30 -1.07 0.11 0.00 -0.00 0.00 0.00 55.36 54.70 2yua s GLN 9 Cb 0.01 0.30 0.32 0.00 0.00 0.00 0.00 33.01 33.64 2yua s GLN 9 CO 0.14 -0.22 0.70 0.41 0.00 0.00 0.00 175.29 176.33 2yua n GLY 10 N -0.01 3.21 3.36 2.60 0.00 -1.26 -5.07 105.19 108.02 2yua n GLY 10 Ca -0.14 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.06 5.83 0.23 1.61 -4.77 -1.26 -5.06 116.67 111.19 2yua s ASP 11 Ca 0.38 -1.16 0.01 0.00 -3.30 0.00 0.00 52.55 48.47 2yua s ASP 11 Cb 0.30 -2.06 -0.05 0.00 -1.09 0.00 0.00 42.92 40.02 2yua s ASP 11 CO -0.09 -0.48 0.09 0.00 0.70 0.00 0.00 175.17 175.39 2yua h SER 13 N 2.51 0.00 -2.45 0.00 0.02 -2.07 -3.45 113.55 108.11 2yua h SER 13 Ca -0.37 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.02 2yua h SER 13 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2yua h SER 13 CO 0.59 0.71 1.23 -0.31 -1.14 0.00 0.00 176.83 177.91 2yua s TYR 14 N -2.12 1.61 -1.77 3.45 1.51 -1.26 -4.85 117.35 113.93 2yua s TYR 14 Ca -0.12 0.14 0.17 0.00 -1.01 0.00 0.00 57.07 56.25 2yua s TYR 14 Cb 0.02 -4.05 0.54 0.00 -0.11 0.00 0.00 41.96 38.36 2yua s TYR 14 CO 0.18 -4.23 1.45 -1.13 -1.11 0.00 0.00 175.55 170.70 2yua n SER 15 N 8.56 3.41 -0.51 2.29 3.41 -1.26 -4.49 113.62 125.03 2yua n SER 15 Ca 0.21 -2.11 0.42 0.00 -0.26 0.00 0.00 58.87 57.13 2yua n SER 15 Cb 0.43 -0.43 0.71 0.00 -0.26 0.00 0.00 64.21 64.66 2yua n SER 15 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2yua h ARG 16 N 3.43 0.03 -1.94 4.33 2.43 -2.01 0.44 114.38 121.09 2yua h ARG 16 Ca 0.00 -0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.47 2yua h ARG 16 Cb 0.92 -0.01 -0.34 0.00 -0.42 0.00 0.00 29.97 30.13 2yua h ARG 16 CO 0.06 0.02 0.24 0.25 -1.51 0.00 0.00 179.97 179.03 2yua n THR 17 N -4.53 3.58 -0.10 0.20 -2.24 -1.26 -4.69 114.28 105.24 2yua n THR 17 Ca 0.40 -4.99 -0.13 0.00 -2.27 0.00 0.00 64.05 57.06 2yua n THR 17 Cb 1.62 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 2yua n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yua n ALA 18 N -0.39 1.03 -0.23 6.98 0.00 0.15 -3.96 120.51 124.09 2yua n ALA 18 Ca 0.45 -0.86 0.31 0.00 0.00 0.00 0.00 53.44 53.34 2yua n ALA 18 Cb 0.39 0.06 0.63 0.00 0.00 0.00 0.00 19.45 20.53 2yua n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yua h LEU 19 N -0.96 0.00 0.18 0.00 3.38 -1.84 1.15 115.31 117.22 2yua h LEU 19 Ca -0.16 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.49 2yua h LEU 19 Cb 1.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2yua h LEU 19 CO -0.10 0.00 -1.47 1.88 0.09 0.00 0.00 178.44 178.85 2yua h TYR 20 N 0.00 0.68 -0.13 1.13 -1.99 -1.86 -3.33 116.97 111.48 2yua h TYR 20 Ca 0.50 -0.50 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 2yua h TYR 20 Cb 2.50 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 41.20 2yua h TYR 20 CO 0.00 1.46 -0.00 0.22 -0.00 0.00 0.00 178.16 179.83 2yua h ASP 21 N 0.10 0.22 -0.69 3.88 1.82 0.12 0.38 116.42 122.26 2yua h ASP 21 Ca -0.23 -0.32 0.12 0.00 -0.39 0.00 0.00 57.03 56.21 2yua h ASP 21 Cb 2.07 -0.06 -0.13 0.00 0.68 0.00 0.00 39.33 41.89 2yua h ASP 21 CO 0.21 0.48 -0.32 -0.07 -1.61 0.00 0.00 179.24 177.93 2yua h LEU 22 N -0.04 -1.15 0.01 2.28 4.07 -1.34 -0.88 115.31 118.25 2yua h LEU 22 Ca 0.04 0.24 -0.27 0.00 0.08 0.00 0.00 57.88 57.97 2yua h LEU 22 Cb 0.37 0.60 0.01 0.00 1.08 0.00 0.00 40.66 42.72 2yua h LEU 22 CO 0.01 -0.29 -1.14 -0.07 -1.08 0.00 0.00 178.44 175.87 2yua h LEU 23 N -0.11 0.63 -0.04 1.67 4.07 -1.66 -3.49 115.31 116.39 2yua h LEU 23 Ca 0.27 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2yua h LEU 23 Cb 0.56 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2yua h LEU 23 CO -0.75 1.40 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 2yua n GLY 24 N 1.26 1.56 3.67 0.83 0.00 0.12 -4.83 105.19 107.80 2yua n GLY 24 Ca -0.10 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.04 3.87 1.02 1.61 -7.23 -0.32 -5.00 120.40 112.31 2yua s VAL 25 Ca 0.00 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 2yua s VAL 25 Cb 0.00 -2.87 0.20 0.00 0.56 0.00 0.00 36.38 34.27 2yua s VAL 25 CO 0.00 0.06 1.09 -2.16 -0.31 0.00 0.00 175.10 173.78 2yua s PRO 26 N -2.46 0.25 0.54 4.82 0.04 -1.26 -4.55 135.00 132.37 2yua s PRO 26 Ca 0.26 0.46 0.31 0.00 0.04 0.00 0.00 61.00 62.07 2yua s PRO 26 Cb -0.11 -1.72 1.49 0.00 0.04 0.00 0.00 34.50 34.20 2yua s PRO 26 CO 0.18 -2.84 2.05 0.66 0.04 0.00 0.00 177.00 177.09 2yua h SER 27 N -1.97 0.00 -0.32 6.66 4.64 -2.00 -2.31 113.55 118.25 2yua h SER 27 Ca -0.55 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.68 2yua h SER 27 Cb 1.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.37 2yua h SER 27 CO 0.57 0.08 -0.01 0.35 -0.87 0.00 0.00 176.83 176.96 2yua n THR 28 N -3.34 2.42 -0.67 2.95 -2.24 -1.26 -5.04 114.28 107.10 2yua n THR 28 Ca -0.01 -2.24 -0.31 0.00 -2.27 0.00 0.00 64.05 59.21 2yua n THR 28 Cb 0.27 -0.29 0.18 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.81 -2.45 -2.58 6.98 0.00 -0.87 -5.03 120.51 115.74 2yua n ALA 29 Ca 0.27 -0.85 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 2yua n ALA 29 Cb 0.97 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.44 3.32 0.59 0.00 -4.23 -1.26 -4.96 115.64 106.67 2yua s THR 30 Ca 0.62 -1.70 0.29 0.00 -1.18 0.00 0.00 61.69 59.72 2yua s THR 30 Cb -0.21 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 70.99 2yua s THR 30 CO 0.64 -0.25 2.12 0.06 -0.54 0.00 0.00 174.62 176.65 2yua h GLN 31 N 1.62 0.00 -0.12 3.99 -0.00 -1.97 0.52 115.11 119.14 2yua h GLN 31 Ca -0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.06 2yua h GLN 31 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.72 2yua h GLN 31 CO 0.62 0.00 -0.54 0.00 -0.00 0.00 0.00 178.83 178.91 2yua h ALA 32 N 1.80 0.85 0.00 0.06 0.00 -2.00 -2.92 119.26 117.04 2yua h ALA 32 Ca 0.07 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2yua h ALA 32 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2yua h ALA 32 CO -0.00 0.69 -0.43 1.96 0.00 0.00 0.00 179.25 181.47 2yua h GLN 33 N 0.27 0.00 -1.29 0.00 4.20 -1.37 -3.12 115.11 113.81 2yua h GLN 33 Ca 0.01 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.10 2yua h GLN 33 Cb 1.04 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.72 2yua h GLN 33 CO 0.09 0.38 0.86 0.82 -0.67 0.00 0.00 178.83 180.30 2yua h ILE 34 N -1.00 0.26 0.02 2.54 2.04 -1.20 0.20 117.51 120.37 2yua h ILE 34 Ca -0.07 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2yua h ILE 34 Cb 0.61 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2yua h ILE 34 CO -0.04 0.03 -0.01 0.50 0.00 0.00 0.00 178.15 178.62 2yua h LYS 35 N 0.15 -0.03 -0.95 2.37 3.64 -1.65 -2.71 116.57 117.39 2yua h LYS 35 Ca 0.73 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 60.21 2yua h LYS 35 Cb 2.35 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 34.11 2yua h LYS 35 CO -0.28 0.66 0.61 0.00 -2.27 0.00 0.00 179.45 178.17 2yua h ALA 36 N 0.15 1.55 0.23 5.00 0.00 -0.67 -1.68 119.26 123.85 2yua h ALA 36 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2yua h ALA 36 Cb 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2yua h ALA 36 CO 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 179.25 179.39 2yua h ALA 37 N 1.53 -0.31 0.18 0.00 0.00 -0.91 -2.80 119.26 116.95 2yua h ALA 37 Ca 0.45 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2yua h ALA 37 Cb 0.39 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2yua h ALA 37 CO -0.20 -0.54 -0.49 -0.92 0.00 0.00 0.00 179.25 177.10 2yua h TYR 38 N -0.57 -1.38 -0.89 0.00 3.20 -1.11 -1.45 116.97 114.77 2yua h TYR 38 Ca -0.03 0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.11 2yua h TYR 38 Cb 0.42 0.58 -0.15 0.00 1.54 0.00 0.00 36.73 39.12 2yua h TYR 38 CO 0.01 -0.58 0.22 1.88 -1.64 0.00 0.00 178.16 178.04 2yua h TYR 39 N -0.76 0.31 -0.38 -3.82 0.05 -1.38 0.27 116.97 111.26 2yua h TYR 39 Ca -0.00 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 2yua h TYR 39 Cb 0.75 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 2yua h TYR 39 CO -0.39 -0.25 0.23 0.00 -1.05 0.00 0.00 178.16 176.71 2yua h ARG 40 N 0.17 0.52 -0.68 4.88 3.08 -1.06 -2.87 114.38 118.43 2yua h ARG 40 Ca 0.56 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.70 2yua h ARG 40 Cb 1.16 -0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.97 2yua h ARG 40 CO -0.69 0.39 -0.23 1.96 -1.07 0.00 0.00 179.97 180.33 2yua h GLN 41 N 0.50 -0.05 -0.07 0.04 1.08 0.54 0.27 115.11 117.43 2yua h GLN 41 Ca 0.14 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 2yua h GLN 41 Cb 0.00 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2yua h GLN 41 CO -0.03 -0.03 -0.09 0.00 -0.95 0.00 0.00 178.83 177.73 2yua h PHE 43 N -0.12 -0.35 -0.65 0.00 3.57 -0.91 0.71 116.94 119.19 2yua h PHE 43 Ca 0.06 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2yua h PHE 43 Cb 0.21 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 2yua h PHE 43 CO -0.19 -0.21 0.30 -0.07 -2.23 0.00 0.00 178.31 175.91 2yua h LEU 44 N -0.11 0.36 -4.11 0.59 3.38 -0.73 -2.17 115.31 112.52 2yua h LEU 44 Ca 0.14 0.06 -0.64 0.00 0.09 0.00 0.00 57.88 57.54 2yua h LEU 44 Cb 0.32 0.01 -0.35 0.00 0.09 0.00 0.00 40.66 40.73 2yua h LEU 44 CO -0.33 0.21 0.13 -1.22 0.09 0.00 0.00 178.44 177.32 2yua n TYR 45 N -4.92 3.06 -1.44 1.13 4.02 -0.64 -5.03 117.16 113.34 2yua n TYR 45 Ca 0.10 -2.67 -0.47 0.00 -0.01 0.00 0.00 57.90 54.85 2yua n TYR 45 Cb 0.26 -0.87 -0.02 0.00 -0.02 0.00 0.00 39.34 38.68 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 -0.75 -0.22 0.87 -0.72 -0.00 0.24 -4.78 115.22 109.85 2yua n HIS 46 Ca 0.52 0.88 0.08 0.00 0.46 0.00 0.00 57.72 59.66 2yua n HIS 46 Cb 0.71 -2.01 0.43 0.00 -0.12 0.00 0.00 29.99 29.00 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 0.95 0.38 -0.09 1.57 -0.04 -1.26 -3.30 135.00 133.21 2yua n PRO 47 Ca 0.16 0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 2yua n PRO 47 Cb 0.28 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 2yua n PRO 47 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2yua n ASP 48 N -1.11 1.90 -0.08 3.54 2.03 -1.26 -4.61 116.55 116.96 2yua n ASP 48 Ca 0.10 0.43 -0.13 0.00 0.52 0.00 0.00 54.79 55.71 2yua n ASP 48 Cb 0.08 -0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 39.60 2yua n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2yua h ARG 49 N -1.00 -0.43 -6.00 -0.67 1.12 -1.92 -3.30 114.38 102.18 2yua h ARG 49 Ca -0.09 0.03 -0.47 0.00 -1.11 0.00 0.00 59.98 58.34 2yua h ARG 49 Cb 0.92 0.10 -0.07 0.00 -0.01 0.00 0.00 29.97 30.91 2yua h ARG 49 CO -0.05 -0.28 1.14 -0.80 -3.11 0.00 0.00 179.97 176.86 2yua s ASN 50 N -4.97 5.74 -0.68 -3.80 0.01 -1.21 -4.94 114.94 105.10 2yua s ASN 50 Ca -0.15 -0.66 -0.24 0.00 -0.71 0.00 0.00 52.86 51.10 2yua s ASN 50 Cb 0.09 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 39.25 2yua s ASN 50 CO 0.63 -2.15 1.08 -0.94 -1.51 0.00 0.00 177.10 174.21 2yua s SER 51 N 6.40 6.18 -0.75 -1.22 1.04 -1.25 -4.37 113.70 119.73 2yua s SER 51 Ca 0.56 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2yua s SER 51 Cb -0.06 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2yua s SER 51 CO 0.04 -1.58 0.67 0.61 0.98 0.00 0.00 173.24 173.96 2yua n GLY 52 N 5.33 -1.25 3.82 7.32 0.00 -1.26 -5.00 105.19 114.14 2yua n GLY 52 Ca -0.01 0.53 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.98 5.91 -0.08 1.61 0.01 -1.26 -5.03 113.70 111.88 2yua s SER 53 Ca 0.01 0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.25 2yua s SER 53 Cb -0.00 -1.78 -0.24 0.00 0.21 0.00 0.00 66.02 64.22 2yua s SER 53 CO 0.79 0.31 0.99 0.00 0.41 0.00 0.00 173.24 175.74 2yua h ALA 54 N 4.34 0.01 0.10 1.44 0.00 -2.00 -3.16 119.26 119.99 2yua h ALA 54 Ca -0.50 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 2yua h ALA 54 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2yua h ALA 54 CO 0.62 -0.08 -0.05 0.93 0.00 0.00 0.00 179.25 180.67 2yua h GLU 55 N -0.73 -0.12 -0.96 0.00 4.39 -2.01 -3.32 114.58 111.83 2yua h GLU 55 Ca -0.00 0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.96 2yua h GLU 55 Cb 0.81 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 29.32 2yua h GLU 55 CO 0.01 0.36 0.02 0.00 -1.16 0.00 0.00 179.01 178.23 2yua h ALA 56 N -0.35 1.10 -0.22 3.43 0.00 -2.00 -0.19 119.26 121.03 2yua h ALA 56 Ca -0.01 0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2yua h ALA 56 Cb 0.54 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2yua h ALA 56 CO 0.02 -0.54 -0.47 0.00 0.00 0.00 0.00 179.25 178.27 2yua h ALA 57 N 1.94 -0.77 0.25 0.00 0.00 -1.64 0.20 119.26 119.24 2yua h ALA 57 Ca 0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 2yua h ALA 57 Cb 1.14 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.91 2yua h ALA 57 CO -0.89 -0.97 -0.40 0.93 0.00 0.00 0.00 179.25 177.92 2yua h GLU 58 N -0.42 -0.67 -0.84 0.00 4.39 -1.17 -2.37 114.58 113.51 2yua h GLU 58 Ca 0.04 0.05 0.16 0.00 0.34 0.00 0.00 59.36 59.95 2yua h GLU 58 Cb 0.54 0.15 -0.16 0.00 -0.10 0.00 0.00 28.75 29.19 2yua h GLU 58 CO -0.43 -0.45 -0.25 -0.09 -1.16 0.00 0.00 179.01 176.63 2yua h ARG 59 N -0.69 -0.02 -0.75 2.33 1.12 -1.16 0.41 114.38 115.61 2yua h ARG 59 Ca -0.03 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.00 2yua h ARG 59 Cb 0.64 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.50 2yua h ARG 59 CO -0.13 -0.01 0.24 0.35 -3.11 0.00 0.00 179.97 177.30 2yua h PHE 60 N -0.02 0.39 0.79 2.20 3.57 -0.20 -1.87 116.94 121.80 2yua h PHE 60 Ca 0.38 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 2yua h PHE 60 Cb 0.61 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.30 2yua h PHE 60 CO -0.69 -0.03 -0.38 1.15 -2.23 0.00 0.00 178.31 176.13 2yua h THR 61 N 0.34 0.23 -0.78 4.41 2.02 0.29 -2.63 112.91 116.78 2yua h THR 61 Ca 0.43 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.77 2yua h THR 61 Cb 0.71 0.23 -0.14 0.00 -1.74 0.00 0.00 68.15 67.20 2yua h THR 61 CO -0.47 0.00 -0.11 0.03 0.37 0.00 0.00 175.52 175.34 2yua h ARG 62 N -1.06 0.03 -0.28 6.66 3.08 -0.76 0.56 114.38 122.62 2yua h ARG 62 Ca -0.11 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.00 2yua h ARG 62 Cb 0.81 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.79 2yua h ARG 62 CO 0.18 0.02 -0.13 0.82 -1.07 0.00 0.00 179.97 179.79 2yua h ILE 63 N 0.03 0.60 -0.87 2.04 2.04 -1.21 -1.48 117.51 118.67 2yua h ILE 63 Ca 0.40 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.47 2yua h ILE 63 Cb 0.67 0.60 -0.12 0.00 -0.74 0.00 0.00 36.82 37.22 2yua h ILE 63 CO -0.76 0.00 0.37 0.77 0.00 0.00 0.00 178.15 178.53 2yua h SER 64 N -0.08 0.31 -0.07 1.72 4.64 -0.52 -0.66 113.55 118.89 2yua h SER 64 Ca 0.14 0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.65 2yua h SER 64 Cb 0.30 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 2yua h SER 64 CO -0.33 0.02 -0.16 1.56 -0.87 0.00 0.00 176.83 177.04 2yua h GLN 65 N 0.41 -0.23 -1.08 4.77 4.20 -0.91 -1.43 115.11 120.84 2yua h GLN 65 Ca 0.53 0.02 0.30 0.00 0.06 0.00 0.00 58.65 59.55 2yua h GLN 65 Cb 0.98 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.71 2yua h GLN 65 CO -0.51 -0.15 0.69 0.00 -0.67 0.00 0.00 178.83 178.19 2yua h ALA 66 N 0.75 2.30 -0.38 3.87 0.00 -0.94 0.87 119.26 125.74 2yua h ALA 66 Ca 0.07 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 2yua h ALA 66 Cb 0.34 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2yua h ALA 66 CO -0.21 -0.75 0.21 0.98 0.00 0.00 0.00 179.25 179.49 2yua n TYR 67 N -4.66 1.19 0.08 0.00 9.36 -0.54 -3.46 117.16 119.14 2yua n TYR 67 Ca 0.28 -0.90 0.00 0.00 3.32 0.00 0.00 57.90 60.60 2yua n TYR 67 Cb 0.97 -0.48 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 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 -0.09 0.82 -0.11 2.97 0.31 0.30 -4.26 118.33 118.27 2yua n VAL 68 Ca 0.22 0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 64.77 2yua n VAL 68 Cb 0.92 -1.23 0.15 0.00 -0.91 0.00 0.00 33.84 32.77 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 1.25 0.00 2.52 2.07 -1.67 -3.13 116.25 117.29 2yua h VAL 69 Ca 0.00 -1.04 -0.27 0.00 0.82 0.00 0.00 66.70 66.21 2yua h VAL 69 Cb 0.00 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2yua h VAL 69 CO 0.00 0.37 -1.84 0.18 0.02 0.00 0.00 177.57 176.30 2yua n LEU 70 N -4.20 0.60 -0.47 2.57 4.77 -1.22 -2.82 117.00 116.23 2yua n LEU 70 Ca 0.02 0.28 0.42 0.00 -0.03 0.00 0.00 56.01 56.71 2yua n LEU 70 Cb 0.31 0.23 0.78 0.00 -2.33 0.00 0.00 43.42 42.41 2yua n LEU 70 CO 0.42 0.35 1.39 1.23 -1.33 0.00 0.00 177.39 179.45 2yua h GLY 71 N 3.70 0.00 -6.02 -0.72 0.00 -1.68 -3.35 103.07 95.01 2yua h GLY 71 Ca -0.32 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.39 2yua h GLY 71 CO 0.06 0.00 -0.85 -0.45 0.00 0.00 0.00 176.54 175.30 2yua s SER 72 N -4.66 2.77 0.16 0.19 0.15 -1.25 -5.01 113.70 106.05 2yua s SER 72 Ca -0.05 -0.52 -0.25 0.00 0.70 0.00 0.00 55.95 55.84 2yua s SER 72 Cb 0.24 -1.26 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 2yua s SER 72 CO 0.84 0.01 1.59 0.00 1.20 0.00 0.00 173.24 176.88 2yua h ALA 73 N 7.63 -0.29 -0.81 5.45 0.00 -1.87 -2.41 119.26 126.96 2yua h ALA 73 Ca -0.35 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.71 2yua h ALA 73 Cb 1.16 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 19.60 2yua h ALA 73 CO 0.54 -0.78 -0.48 2.41 0.00 0.00 0.00 179.25 180.94 2yua n THR 74 N -5.42 -0.55 -0.19 0.00 -1.04 -1.26 -1.31 114.28 104.52 2yua n THR 74 Ca -0.00 2.16 -0.08 0.00 -2.04 0.00 0.00 64.05 64.09 2yua n THR 74 Cb 0.34 -2.69 -0.06 0.00 -1.82 0.00 0.00 70.33 66.10 2yua n THR 74 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2yua h LEU 75 N 0.00 -1.29 -0.73 -4.42 3.38 -1.67 -0.33 115.31 110.25 2yua h LEU 75 Ca 0.13 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.39 2yua h LEU 75 Cb 0.33 0.55 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 2yua h LEU 75 CO -0.76 -0.19 -0.30 0.54 0.09 0.00 0.00 178.44 177.81 2yua n ARG 76 N -4.41 -0.19 -0.06 1.13 1.74 -0.43 0.12 116.66 114.56 2yua n ARG 76 Ca -0.00 1.12 -0.09 0.00 -0.77 0.00 0.00 57.85 58.11 2yua n ARG 76 Cb 0.19 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 2yua n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yua h ARG 77 N 0.00 0.24 0.26 5.56 3.08 -0.83 -1.91 114.38 120.78 2yua h ARG 77 Ca 0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 2yua h ARG 77 Cb 0.42 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2yua h ARG 77 CO -0.72 0.16 -0.45 0.87 -1.07 0.00 0.00 179.97 178.76 2yua h LYS 78 N 0.24 -0.73 -0.88 0.04 1.57 0.21 -2.00 116.57 115.01 2yua h LYS 78 Ca 0.11 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.14 2yua h LYS 78 Cb 0.05 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.40 2yua h LYS 78 CO -0.09 -0.49 0.40 -0.92 -0.57 0.00 0.00 179.45 177.78 2yua h TYR 79 N -0.76 0.66 -0.95 -1.35 3.20 -0.95 0.34 116.97 117.17 2yua h TYR 79 Ca -0.03 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.01 2yua h TYR 79 Cb 0.71 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.74 2yua h TYR 79 CO -0.34 -0.01 0.61 0.22 -1.64 0.00 0.00 178.16 177.00 2yua h ASP 80 N 0.44 0.82 -0.60 -2.11 3.58 -0.64 0.18 116.42 118.08 2yua h ASP 80 Ca 0.54 0.04 0.00 0.00 0.42 0.00 0.00 57.03 58.03 2yua h ASP 80 Cb 0.98 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2yua h ASP 80 CO -0.50 0.43 0.00 0.54 -2.88 0.00 0.00 179.24 176.83 2yua n ARG 81 N -4.59 3.46 -2.02 0.28 5.12 0.90 -4.91 116.66 114.90 2yua n ARG 81 Ca 0.18 -2.61 -0.19 0.00 -1.93 0.00 0.00 57.85 53.30 2yua n ARG 81 Cb 0.40 -1.83 -0.04 0.00 -1.16 0.00 0.00 32.46 29.82 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 1.10 0.54 0.10 -0.13 0.00 0.63 -4.86 105.19 102.57 2yua n GLY 82 Ca 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.51 0.86 -4.68 0.99 4.77 0.47 -4.86 117.00 112.04 2yua n LEU 83 Ca -0.21 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 2yua n LEU 83 Cb 0.66 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 2yua n LEU 83 CO 0.28 0.12 1.19 -0.22 -1.33 0.00 0.00 177.39 177.42 2yua s LEU 84 N -5.74 4.30 0.85 2.23 2.96 -1.22 -4.87 118.68 117.18 2yua s LEU 84 Ca -0.03 2.09 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 2yua s LEU 84 Cb 0.09 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.33 2yua s LEU 84 CO 0.81 -0.79 1.10 -0.44 -1.32 0.00 0.00 176.35 175.71 2yua s SER 85 N 2.29 3.96 0.07 3.68 0.01 -1.26 -4.82 113.70 117.62 2yua s SER 85 Ca 0.65 1.34 -0.20 0.00 1.31 0.00 0.00 55.95 59.05 2yua s SER 85 Cb -0.31 -2.04 -0.11 0.00 0.21 0.00 0.00 66.02 63.78 2yua s SER 85 CO 0.25 -2.31 1.51 -0.78 0.41 0.00 0.00 173.24 172.32 2yua h ASP 86 N -1.33 0.30 -1.00 2.44 3.58 -2.00 -2.86 116.42 115.55 2yua h ASP 86 Ca -0.48 -0.29 0.25 0.00 0.42 0.00 0.00 57.03 56.92 2yua h ASP 86 Cb 1.28 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 42.18 2yua h ASP 86 CO 0.58 0.52 0.66 -0.08 -2.88 0.00 0.00 179.24 178.04 2yua h GLU 87 N 0.07 0.31 -0.38 0.28 4.81 -2.01 0.63 114.58 118.30 2yua h GLU 87 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2yua h GLU 87 Cb 0.36 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2yua h GLU 87 CO 0.01 0.21 0.24 -0.44 -0.73 0.00 0.00 179.01 178.29 2yua h ASP 88 N 0.32 0.39 -0.80 1.04 5.19 -1.88 0.21 116.42 120.90 2yua h ASP 88 Ca 0.54 -0.00 0.10 0.00 -0.62 0.00 0.00 57.03 57.05 2yua h ASP 88 Cb 1.50 -0.09 -0.12 0.00 0.18 0.00 0.00 39.33 40.80 2yua h ASP 88 CO -0.20 0.28 -0.48 -0.07 -3.12 0.00 0.00 179.24 175.65 2yua h LEU 89 N 0.48 -1.71 -0.03 1.55 3.38 -0.91 -2.00 115.31 116.07 2yua h LEU 89 Ca 0.15 0.29 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 2yua h LEU 89 Cb -0.02 0.79 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2yua h LEU 89 CO -0.05 -0.30 -0.20 0.08 0.09 0.00 0.00 178.44 178.05 2yua h ARG 90 N -0.12 0.19 -3.73 1.13 0.11 -1.59 -3.43 114.38 106.94 2yua h ARG 90 Ca 0.21 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2yua h ARG 90 Cb 0.53 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2yua h ARG 90 CO -0.83 0.84 -0.14 0.41 0.10 0.00 0.00 179.97 180.35 2yua n GLY 91 N 0.79 -0.85 3.74 0.08 0.00 0.72 -4.91 105.19 104.76 2yua n GLY 91 Ca -0.09 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.73 1.60 0.00 1.61 0.04 -1.26 -5.07 135.00 130.19 2yua s PRO 92 Ca 0.07 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2yua s PRO 92 Cb -0.02 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2yua s PRO 92 CO 0.25 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.66 2yua n GLY 93 N -1.16 0.46 3.15 0.56 0.00 -1.26 -5.11 105.19 101.83 2yua n GLY 93 Ca 0.08 -1.55 0.04 0.00 0.00 0.00 0.00 46.02 44.58 2yua n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yua s SER 94 N -1.00 -1.39 0.32 1.61 0.01 -1.26 -5.15 113.70 106.84 2yua s SER 94 Ca 0.00 0.67 -0.16 0.00 1.31 0.00 0.00 55.95 57.76 2yua s SER 94 Cb 0.00 2.08 -0.12 0.00 0.21 0.00 0.00 66.02 68.19 2yua s SER 94 CO 0.00 -0.26 0.05 0.61 0.41 0.00 0.00 173.24 174.06 2yua n GLY 95 N 5.42 -2.15 3.76 3.44 0.00 -1.26 -4.83 105.19 109.57 2yua n GLY 95 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.77 4.44 -0.06 1.61 0.04 -1.26 -4.94 135.00 134.06 2yua s PRO 96 Ca 0.46 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 2yua s PRO 96 Cb -0.49 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 2yua s PRO 96 CO 0.49 -0.09 1.98 0.45 0.04 0.00 0.00 177.00 179.87 2yua s SER 97 N -0.38 6.19 0.47 6.66 0.15 -1.26 -4.97 113.70 120.56 2yua s SER 97 Ca 0.50 2.33 0.03 0.00 0.70 0.00 0.00 55.95 59.50 2yua s SER 97 Cb -0.37 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.39 2yua s SER 97 CO 0.46 -1.31 0.02 -0.55 1.20 0.00 0.00 173.24 173.06 2yua s SER 98 N 5.39 3.82 0.00 5.45 0.15 -1.26 -5.34 113.70 121.92 2yua s SER 98 Ca 0.89 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2yua s SER 98 Cb -0.38 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2yua s SER 98 CO 0.38 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.64