#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 -1.00 -4.96 1.61 7.64 -1.26 -4.95 113.62 110.70 2yua n SER 2 Ca 0.00 -1.02 -0.22 0.00 1.01 0.00 0.00 58.87 58.64 2yua n SER 2 Cb 0.00 -2.94 -0.02 0.00 -1.01 0.00 0.00 64.21 60.24 2yua n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yua s SER 3 N -4.11 6.31 0.00 6.43 0.01 -1.26 -5.05 113.70 116.03 2yua s SER 3 Ca 0.18 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2yua s SER 3 Cb -0.10 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2yua s SER 3 CO 0.90 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.00 2yua n GLY 4 N -1.54 1.94 3.27 3.44 0.00 -1.26 -5.13 105.19 105.91 2yua n GLY 4 Ca -0.07 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.77 2yua n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yua s SER 5 N 0.00 2.03 -0.07 1.61 1.04 -1.26 -5.15 113.70 111.90 2yua s SER 5 Ca 0.00 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 2yua s SER 5 Cb 0.00 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.10 2yua s SER 5 CO 0.00 -0.23 0.05 -0.44 0.98 0.00 0.00 173.24 173.60 2yua s SER 6 N -2.94 1.47 0.00 7.02 0.01 -1.26 -5.05 113.70 112.95 2yua s SER 6 Ca 0.15 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2yua s SER 6 Cb -0.01 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2yua s SER 6 CO 0.03 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2yua n GLY 7 N 5.25 2.48 3.05 3.44 0.00 -1.26 -5.11 105.19 113.04 2yua n GLY 7 Ca -0.05 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2yua n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yua n SER 8 N 0.00 -5.17 -0.01 1.61 7.64 -1.26 -4.97 113.62 111.46 2yua n SER 8 Ca 0.00 0.17 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 2yua n SER 8 Cb 0.00 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.40 2yua n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yua n GLN 9 N 1.95 0.15 0.00 1.43 6.02 -1.26 -5.15 117.38 120.52 2yua n GLN 9 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2yua n GLN 9 Cb 0.58 -0.76 0.00 0.00 1.02 0.00 0.00 30.24 31.08 2yua n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yua n GLY 10 N 2.78 3.38 3.28 1.08 0.00 -1.26 -5.08 105.19 109.38 2yua n GLY 10 Ca -0.08 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 2yua n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yua n ASP 11 N 0.00 -3.27 -4.47 1.61 5.75 -1.26 -4.98 116.55 109.93 2yua n ASP 11 Ca 0.00 0.36 -0.33 0.00 -0.01 0.00 0.00 54.79 54.81 2yua n ASP 11 Cb 0.00 -1.04 -0.13 0.00 -1.03 0.00 0.00 41.12 38.92 2yua n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yua n SER 13 N 2.70 1.76 -4.72 0.00 2.88 -1.26 -4.91 113.62 110.07 2yua n SER 13 Ca -0.18 0.57 -0.42 0.00 -1.33 0.00 0.00 58.87 57.51 2yua n SER 13 Cb 0.52 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 2yua n SER 13 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2yua s TYR 14 N -2.31 3.06 -0.65 0.66 1.51 -1.26 -4.90 117.35 113.46 2yua s TYR 14 Ca -0.17 0.66 0.12 0.00 -1.01 0.00 0.00 57.07 56.68 2yua s TYR 14 Cb 0.02 -3.92 0.36 0.00 -0.11 0.00 0.00 41.96 38.31 2yua s TYR 14 CO 0.25 -3.35 1.29 -1.13 -1.11 0.00 0.00 175.55 171.50 2yua n SER 15 N 3.82 3.17 -0.19 2.29 3.41 -1.26 -4.68 113.62 120.18 2yua n SER 15 Ca 0.13 -2.32 0.27 0.00 -0.26 0.00 0.00 58.87 56.69 2yua n SER 15 Cb 0.39 -0.32 0.43 0.00 -0.26 0.00 0.00 64.21 64.45 2yua n SER 15 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2yua h ARG 16 N 1.85 0.00 -1.91 4.33 0.11 -2.03 0.50 114.38 117.23 2yua h ARG 16 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2yua h ARG 16 Cb 0.94 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 31.64 2yua h ARG 16 CO 0.07 0.00 -0.24 0.25 0.10 0.00 0.00 179.97 180.15 2yua n THR 17 N -3.24 3.19 -0.12 0.08 -2.24 -1.26 -4.74 114.28 105.96 2yua n THR 17 Ca 0.22 -5.16 -0.22 0.00 -2.27 0.00 0.00 64.05 56.62 2yua n THR 17 Cb 1.49 -1.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.37 1.07 0.30 6.98 0.00 0.17 -3.98 120.51 124.68 2yua n ALA 18 Ca 0.40 -0.98 0.11 0.00 0.00 0.00 0.00 53.44 52.96 2yua n ALA 18 Cb 0.47 0.08 0.51 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.00 0.00 0.00 0.00 3.38 -1.85 -0.96 115.31 114.88 2yua h LEU 19 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2yua h LEU 19 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2yua h LEU 19 CO -0.27 0.00 -0.17 1.88 0.09 0.00 0.00 178.44 179.97 2yua h TYR 20 N 0.00 0.00 -1.05 1.13 -1.99 -1.87 -3.36 116.97 109.83 2yua h TYR 20 Ca 0.03 0.00 0.29 0.00 2.00 0.00 0.00 58.73 61.05 2yua h TYR 20 Cb 1.25 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.86 2yua h TYR 20 CO 0.00 0.02 0.64 0.22 -0.00 0.00 0.00 178.16 179.04 2yua h ASP 21 N -1.00 0.52 -0.91 3.88 3.58 -1.33 0.38 116.42 121.53 2yua h ASP 21 Ca -0.00 0.14 0.18 0.00 0.42 0.00 0.00 57.03 57.76 2yua h ASP 21 Cb 0.18 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.19 2yua h ASP 21 CO -0.00 0.00 0.49 -0.07 -2.88 0.00 0.00 179.24 176.78 2yua h LEU 22 N 0.40 0.58 0.03 2.28 4.07 -1.51 -1.92 115.31 119.25 2yua h LEU 22 Ca 0.67 0.11 -0.32 0.00 0.08 0.00 0.00 57.88 58.43 2yua h LEU 22 Cb 1.57 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 43.29 2yua h LEU 22 CO -0.45 0.19 -1.83 0.18 -1.08 0.00 0.00 178.44 175.44 2yua n LEU 23 N -4.87 1.31 0.00 1.67 4.32 0.98 -5.00 117.00 115.40 2yua n LEU 23 Ca 0.20 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 2yua n LEU 23 Cb 0.54 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2yua n LEU 23 CO 0.19 0.52 0.00 0.61 -1.22 0.00 0.00 177.39 177.49 2yua n GLY 24 N 1.69 1.51 3.61 -0.72 0.00 0.80 -4.75 105.19 107.34 2yua n GLY 24 Ca -0.22 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 3.51 1.14 1.61 -7.23 -1.19 -4.99 120.40 111.25 2yua s VAL 25 Ca 0.00 -1.33 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 2yua s VAL 25 Cb 0.00 -2.69 0.26 0.00 0.56 0.00 0.00 36.38 34.51 2yua s VAL 25 CO 0.00 0.03 1.10 -2.16 -0.31 0.00 0.00 175.10 173.76 2yua s PRO 26 N -2.49 -0.70 0.46 4.82 0.04 -1.26 -4.41 135.00 131.46 2yua s PRO 26 Ca 0.24 0.12 0.25 0.00 0.04 0.00 0.00 61.00 61.65 2yua s PRO 26 Cb -0.10 -1.64 0.98 0.00 0.04 0.00 0.00 34.50 33.78 2yua s PRO 26 CO 0.16 -3.40 1.85 0.77 0.04 0.00 0.00 177.00 176.41 2yua h SER 27 N -2.36 0.00 -0.35 6.66 0.02 -2.00 -2.84 113.55 112.67 2yua h SER 27 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 2yua h SER 27 Cb 1.31 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 2yua h SER 27 CO 0.42 0.20 0.02 0.35 -1.14 0.00 0.00 176.83 176.68 2yua n THR 28 N -3.36 2.46 -0.49 -2.27 -2.24 -1.26 -5.04 114.28 102.07 2yua n THR 28 Ca 0.00 -2.11 -0.29 0.00 -2.27 0.00 0.00 64.05 59.38 2yua n THR 28 Cb 0.41 -0.29 0.25 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.68 -2.96 -2.53 6.98 0.00 -1.07 -5.04 120.51 115.20 2yua n ALA 29 Ca 0.28 -1.18 -0.25 0.00 0.00 0.00 0.00 53.44 52.29 2yua n ALA 29 Cb 1.01 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.40 2.87 0.27 0.00 -1.32 -1.26 -4.95 115.64 108.85 2yua s THR 30 Ca 0.68 -2.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.06 2yua s THR 30 Cb -0.25 -2.47 0.42 0.00 -1.51 0.00 0.00 72.50 68.70 2yua s THR 30 CO 0.65 -0.26 1.57 -0.61 -2.21 0.00 0.00 174.62 173.76 2yua h GLN 31 N 2.54 0.00 -0.94 7.08 5.75 -1.96 0.78 115.11 128.35 2yua h GLN 31 Ca -0.44 -0.00 0.25 0.00 -0.15 0.00 0.00 58.65 58.31 2yua h GLN 31 Cb 1.23 -0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.65 2yua h GLN 31 CO 0.56 0.00 0.46 0.00 -2.65 0.00 0.00 178.83 177.21 2yua h ALA 32 N 1.94 1.62 0.06 3.38 0.00 -1.99 0.19 119.26 124.47 2yua h ALA 32 Ca 0.47 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 2yua h ALA 32 Cb 0.77 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2yua h ALA 32 CO -0.95 -0.39 -0.03 1.96 0.00 0.00 0.00 179.25 179.83 2yua h GLN 33 N 0.40 -0.08 -1.45 0.00 4.20 0.08 -1.92 115.11 116.36 2yua h GLN 33 Ca 0.62 0.01 0.43 0.00 0.06 0.00 0.00 58.65 59.77 2yua h GLN 33 Cb 1.25 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.96 2yua h GLN 33 CO -0.55 -0.05 1.00 0.82 -0.67 0.00 0.00 178.83 179.38 2yua h ILE 34 N -1.01 0.22 0.00 2.54 2.04 -0.69 0.14 117.51 120.75 2yua h ILE 34 Ca -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2yua h ILE 34 Cb 0.06 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2yua h ILE 34 CO 0.01 0.01 -0.21 0.50 0.00 0.00 0.00 178.15 178.47 2yua h LYS 35 N 0.07 0.00 -0.86 2.37 3.64 -0.72 -3.16 116.57 117.91 2yua h LYS 35 Ca 0.75 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 60.31 2yua h LYS 35 Cb 2.72 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 34.43 2yua h LYS 35 CO -0.15 0.64 0.40 0.00 -2.27 0.00 0.00 179.45 178.06 2yua h ALA 36 N -0.43 1.32 0.85 5.00 0.00 -0.15 -1.25 119.26 124.61 2yua h ALA 36 Ca -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2yua h ALA 36 Cb 0.71 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2yua h ALA 36 CO -0.03 -0.23 -0.41 0.00 0.00 0.00 0.00 179.25 178.58 2yua h ALA 37 N 1.63 -1.25 -0.62 0.00 0.00 -0.97 -1.56 119.26 116.48 2yua h ALA 37 Ca 0.50 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2yua h ALA 37 Cb 0.85 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 2yua h ALA 37 CO -0.45 -1.17 -0.26 -0.92 0.00 0.00 0.00 179.25 176.45 2yua h TYR 38 N -1.19 -0.68 -0.44 0.00 3.20 -1.40 0.24 116.97 116.70 2yua h TYR 38 Ca -0.12 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.89 2yua h TYR 38 Cb 0.88 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 2yua h TYR 38 CO 0.02 -0.35 0.07 1.88 -1.64 0.00 0.00 178.16 178.15 2yua h TYR 39 N -0.10 0.11 -0.63 -3.82 -1.99 -1.21 -1.92 116.97 107.41 2yua h TYR 39 Ca 0.27 0.03 0.12 0.00 2.00 0.00 0.00 58.73 61.15 2yua h TYR 39 Cb 0.53 0.02 -0.09 0.00 2.00 0.00 0.00 36.73 39.18 2yua h TYR 39 CO -0.60 -0.01 0.13 0.00 -0.00 0.00 0.00 178.16 177.68 2yua h ARG 40 N 0.20 0.24 -0.41 4.88 3.08 0.09 -2.61 114.38 119.85 2yua h ARG 40 Ca 0.21 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2yua h ARG 40 Cb 0.28 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 2yua h ARG 40 CO -0.29 0.16 -0.35 1.96 -1.07 0.00 0.00 179.97 180.38 2yua h GLN 41 N 0.25 -0.13 -0.99 0.04 1.08 -0.60 0.26 115.11 115.01 2yua h GLN 41 Ca 0.34 0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.81 2yua h GLN 41 Cb 0.52 0.03 -0.19 0.00 -0.05 0.00 0.00 27.48 27.79 2yua h GLN 41 CO -0.43 -0.09 -0.02 0.00 -0.95 0.00 0.00 178.83 177.34 2yua h PHE 43 N 0.00 0.62 -0.80 0.00 3.57 -0.83 -2.89 116.94 116.60 2yua h PHE 43 Ca 0.58 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 62.02 2yua h PHE 43 Cb 1.17 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 2yua h PHE 43 CO -0.54 0.74 0.52 -0.07 -2.23 0.00 0.00 178.31 176.73 2yua h LEU 44 N 0.32 0.77 -6.83 0.59 3.38 0.34 -3.26 115.31 110.62 2yua h LEU 44 Ca 0.08 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.44 2yua h LEU 44 Cb 0.53 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 40.71 2yua h LEU 44 CO 0.03 0.49 -0.66 -1.22 0.09 0.00 0.00 178.44 177.17 2yua n TYR 45 N -4.48 2.50 -2.24 1.13 4.02 0.42 -5.08 117.16 113.42 2yua n TYR 45 Ca 0.12 -4.11 -0.32 0.00 -0.01 0.00 0.00 57.90 53.58 2yua n TYR 45 Cb 0.22 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 39.06 2yua n TYR 45 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2yua s HIS 46 N -1.32 3.32 0.10 -0.72 3.76 -1.10 -4.74 115.29 114.59 2yua s HIS 46 Ca 0.28 1.47 -0.14 0.00 -0.15 0.00 0.00 55.06 56.52 2yua s HIS 46 Cb -0.00 -2.85 -0.08 0.00 1.11 0.00 0.00 32.58 30.76 2yua s HIS 46 CO -0.16 -0.63 1.43 -1.00 -0.85 0.00 0.00 174.74 173.53 2yua h PRO 47 N 0.66 0.73 0.05 8.40 0.13 -1.86 -2.98 132.00 137.11 2yua h PRO 47 Ca -0.47 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2yua h PRO 47 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2yua h PRO 47 CO 0.60 1.00 -0.14 -0.44 -0.23 0.00 0.00 178.00 178.79 2yua h ASP 48 N 0.48 -0.43 -0.99 1.44 3.32 -2.00 -2.00 116.42 116.24 2yua h ASP 48 Ca 0.05 0.04 0.24 0.00 0.02 0.00 0.00 57.03 57.38 2yua h ASP 48 Cb 0.86 0.16 -0.12 0.00 0.22 0.00 0.00 39.33 40.44 2yua h ASP 48 CO 0.07 -0.16 0.57 0.08 -1.72 0.00 0.00 179.24 178.09 2yua h ARG 49 N -0.21 0.55 -4.26 3.56 0.11 -1.99 -3.30 114.38 108.84 2yua h ARG 49 Ca -0.00 -0.03 -0.63 0.00 0.10 0.00 0.00 59.98 59.41 2yua h ARG 49 Cb 0.21 -0.12 -0.40 0.00 1.11 0.00 0.00 29.97 30.77 2yua h ARG 49 CO -0.07 0.36 -0.73 -0.80 0.10 0.00 0.00 179.97 178.83 2yua s ASN 50 N -5.21 4.49 -0.11 0.08 0.01 -0.81 -5.10 114.94 108.30 2yua s ASN 50 Ca -0.11 -1.98 -0.25 0.00 -0.71 0.00 0.00 52.86 49.81 2yua s ASN 50 Cb 0.27 -1.35 -0.03 0.00 0.41 0.00 0.00 41.25 40.55 2yua s ASN 50 CO 0.79 -0.39 0.78 -0.94 -1.51 0.00 0.00 177.10 175.84 2yua s SER 51 N 1.15 7.00 -1.13 -1.22 1.04 -0.83 -4.25 113.70 115.46 2yua s SER 51 Ca 0.11 1.21 -0.17 0.00 0.48 0.00 0.00 55.95 57.58 2yua s SER 51 Cb -0.18 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.52 2yua s SER 51 CO -0.14 -0.26 0.32 0.61 0.98 0.00 0.00 173.24 174.75 2yua n GLY 52 N 3.27 -0.44 3.52 7.32 0.00 -1.26 -4.87 105.19 112.74 2yua n GLY 52 Ca 0.02 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.94 1.16 -0.08 1.61 1.04 -1.26 -5.00 113.70 107.23 2yua s SER 53 Ca 0.24 1.36 0.06 0.00 0.48 0.00 0.00 55.95 58.09 2yua s SER 53 Cb -0.13 -2.12 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 2yua s SER 53 CO 0.82 -4.07 0.00 0.00 0.98 0.00 0.00 173.24 170.98 2yua n ALA 54 N -4.81 1.80 -0.10 5.32 0.00 -1.26 -4.34 120.51 117.13 2yua n ALA 54 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.82 2yua n ALA 54 Cb 0.55 0.12 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 2yua n ALA 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2yua n GLU 55 N -2.39 0.53 0.03 0.00 4.71 -1.26 -4.25 120.64 118.00 2yua n GLU 55 Ca -0.14 0.51 0.04 0.00 -0.01 0.00 0.00 57.16 57.56 2yua n GLU 55 Cb 0.74 -1.69 0.44 0.00 -1.01 0.00 0.00 31.44 29.92 2yua n GLU 55 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yua h ALA 56 N -0.75 1.72 -0.04 0.62 0.00 -2.00 -3.00 119.26 115.81 2yua h ALA 56 Ca -0.25 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2yua h ALA 56 Cb 1.05 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2yua h ALA 56 CO -0.15 0.25 -0.54 0.00 0.00 0.00 0.00 179.25 178.82 2yua h ALA 57 N 1.76 -0.93 -0.52 0.00 0.00 -1.76 -1.31 119.26 116.50 2yua h ALA 57 Ca 0.13 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2yua h ALA 57 Cb -0.03 0.97 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2yua h ALA 57 CO -0.03 -1.11 -0.49 0.93 0.00 0.00 0.00 179.25 178.56 2yua h GLU 58 N -0.65 -0.22 -0.45 0.00 4.39 -1.70 -1.49 114.58 114.46 2yua h GLU 58 Ca 0.02 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.80 2yua h GLU 58 Cb 0.71 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.32 2yua h GLU 58 CO -0.38 -0.15 -0.46 -0.09 -1.16 0.00 0.00 179.01 176.77 2yua h ARG 59 N -0.23 -0.31 -1.00 2.33 2.43 -1.56 0.16 114.38 116.21 2yua h ARG 59 Ca 0.09 0.02 0.39 0.00 -0.81 0.00 0.00 59.98 59.67 2yua h ARG 59 Cb 0.46 0.07 -0.17 0.00 -0.42 0.00 0.00 29.97 29.91 2yua h ARG 59 CO -0.61 -0.21 0.53 0.35 -1.51 0.00 0.00 179.97 178.52 2yua h PHE 60 N -0.32 0.83 -0.17 2.20 3.57 -0.21 0.67 116.94 123.51 2yua h PHE 60 Ca 0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2yua h PHE 60 Cb 0.58 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2yua h PHE 60 CO -0.67 -0.40 -0.04 1.15 -2.23 0.00 0.00 178.31 176.13 2yua h THR 61 N 0.09 1.29 0.30 4.41 2.02 -0.18 -3.14 112.91 117.70 2yua h THR 61 Ca 0.81 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2yua h THR 61 Cb 2.06 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 2yua h THR 61 CO -0.73 0.30 -0.15 0.03 0.37 0.00 0.00 175.52 175.34 2yua h ARG 62 N 0.03 -0.39 -0.87 6.66 3.08 0.72 -3.18 114.38 120.42 2yua h ARG 62 Ca 0.04 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.27 2yua h ARG 62 Cb 0.47 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 30.46 2yua h ARG 62 CO 0.02 -0.11 -0.30 -0.89 -1.07 0.00 0.00 179.97 177.62 2yua n ILE 63 N -5.16 -0.43 -0.15 2.04 5.41 0.92 0.53 119.36 122.52 2yua n ILE 63 Ca -0.10 2.02 -0.04 0.00 1.00 0.00 0.00 62.75 65.64 2yua n ILE 63 Cb 0.25 -2.72 0.02 0.00 -0.71 0.00 0.00 39.64 36.48 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 -0.69 -0.68 4.38 0.87 -1.53 -1.58 113.55 114.33 2yua h SER 64 Ca 0.34 0.17 0.12 0.00 -1.23 0.00 0.00 61.79 61.19 2yua h SER 64 Cb 0.56 0.39 -0.13 0.00 -0.44 0.00 0.00 62.40 62.78 2yua h SER 64 CO -0.87 -0.23 -0.33 1.56 -0.53 0.00 0.00 176.83 176.43 2yua h GLN 65 N -0.09 -0.11 -1.02 2.24 4.20 0.05 0.81 115.11 121.19 2yua h GLN 65 Ca 0.23 0.01 0.30 0.00 0.06 0.00 0.00 58.65 59.24 2yua h GLN 65 Cb 0.44 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 2yua h GLN 65 CO -0.54 -0.07 0.78 0.00 -0.67 0.00 0.00 178.83 178.32 2yua h ALA 66 N 1.16 2.94 -0.36 3.87 0.00 -1.11 0.94 119.26 126.70 2yua h ALA 66 Ca 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2yua h ALA 66 Cb 0.56 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2yua h ALA 66 CO -0.75 -1.30 0.13 0.98 0.00 0.00 0.00 179.25 178.31 2yua n TYR 67 N -4.10 1.21 0.05 0.00 9.36 0.28 -3.39 117.16 120.58 2yua n TYR 67 Ca 0.22 -0.68 0.00 0.00 3.32 0.00 0.00 57.90 60.76 2yua n TYR 67 Cb 1.12 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 39.41 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 0.06 0.69 -0.02 2.97 0.31 0.33 -4.20 118.33 118.47 2yua n VAL 68 Ca 0.20 0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.69 2yua n VAL 68 Cb 0.86 -1.37 0.12 0.00 -0.91 0.00 0.00 33.84 32.54 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 1.28 0.00 2.52 2.07 -1.69 -3.12 116.25 117.31 2yua h VAL 69 Ca 0.00 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 2yua h VAL 69 Cb 0.27 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2yua h VAL 69 CO 0.00 0.46 -1.49 0.18 0.02 0.00 0.00 177.57 176.74 2yua n LEU 70 N -4.07 0.46 -0.37 2.57 4.77 -1.22 -2.90 117.00 116.25 2yua n LEU 70 Ca -0.01 0.18 0.30 0.00 -0.03 0.00 0.00 56.01 56.45 2yua n LEU 70 Cb 0.47 -0.01 0.60 0.00 -2.33 0.00 0.00 43.42 42.15 2yua n LEU 70 CO 0.44 -0.07 1.25 1.23 -1.33 0.00 0.00 177.39 178.91 2yua h GLY 71 N 3.98 1.03 -6.26 -0.72 0.00 -1.69 -3.36 103.07 96.05 2yua h GLY 71 Ca -0.02 -0.14 -0.66 0.00 0.00 0.00 0.00 47.33 46.51 2yua h GLY 71 CO 0.00 -0.20 -0.75 -0.56 0.00 0.00 0.00 176.54 175.04 2yua s SER 72 N -4.97 4.10 0.26 0.19 0.01 -1.26 -5.00 113.70 107.03 2yua s SER 72 Ca -0.08 -0.38 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 2yua s SER 72 Cb 0.26 -1.67 0.54 0.00 0.21 0.00 0.00 66.02 65.36 2yua s SER 72 CO 0.81 0.06 1.68 0.00 0.41 0.00 0.00 173.24 176.20 2yua h ALA 73 N 7.53 1.08 -0.27 1.44 0.00 -1.90 -1.04 119.26 126.10 2yua h ALA 73 Ca -0.36 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2yua h ALA 73 Cb 1.18 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2yua h ALA 73 CO 0.59 -0.35 -0.21 1.15 0.00 0.00 0.00 179.25 180.43 2yua h THR 74 N 0.29 0.43 0.15 0.00 2.02 -1.93 -2.67 112.91 111.20 2yua h THR 74 Ca 0.46 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.65 2yua h THR 74 Cb 0.82 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2yua h THR 74 CO -0.53 0.00 -0.51 -0.07 0.37 0.00 0.00 175.52 174.78 2yua h LEU 75 N -0.20 -1.53 -0.82 2.58 3.38 -1.42 -1.79 115.31 115.51 2yua h LEU 75 Ca 0.15 0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.42 2yua h LEU 75 Cb 0.43 0.56 -0.14 0.00 0.09 0.00 0.00 40.66 41.60 2yua h LEU 75 CO -0.39 -0.56 -0.27 0.54 0.09 0.00 0.00 178.44 177.85 2yua n ARG 76 N -5.49 -0.14 0.03 1.13 1.74 -1.02 0.70 116.66 113.60 2yua n ARG 76 Ca -0.09 1.27 -0.12 0.00 -0.77 0.00 0.00 57.85 58.14 2yua n ARG 76 Cb 0.41 -1.89 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 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 0.01 -0.61 5.56 3.08 -1.20 -2.61 114.38 118.61 2yua h ARG 77 Ca 0.33 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.44 2yua h ARG 77 Cb 0.53 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.49 2yua h ARG 77 CO -0.83 0.03 -0.55 0.87 -1.07 0.00 0.00 179.97 178.42 2yua h LYS 78 N -0.00 -0.24 -0.20 0.04 1.57 0.11 0.79 116.57 118.65 2yua h LYS 78 Ca 0.00 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2yua h LYS 78 Cb 0.02 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2yua h LYS 78 CO -0.00 -0.16 0.21 -0.92 -0.57 0.00 0.00 179.45 178.01 2yua h TYR 79 N -0.24 0.00 -0.41 -1.35 3.20 -1.31 0.17 116.97 117.03 2yua h TYR 79 Ca 0.10 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2yua h TYR 79 Cb 0.51 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2yua h TYR 79 CO -0.84 0.00 0.20 0.22 -1.64 0.00 0.00 178.16 176.10 2yua h ASP 80 N 0.00 0.29 -0.55 -2.11 3.58 0.10 -1.86 116.42 115.87 2yua h ASP 80 Ca 0.09 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2yua h ASP 80 Cb 0.51 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2yua h ASP 80 CO -0.00 0.21 0.01 0.54 -2.88 0.00 0.00 179.24 177.12 2yua n ARG 81 N -4.92 4.66 -3.47 0.28 5.12 -0.62 -4.91 116.66 112.79 2yua n ARG 81 Ca 0.02 -2.98 -0.23 0.00 -1.93 0.00 0.00 57.85 52.73 2yua n ARG 81 Cb 0.10 -2.23 0.07 0.00 -1.16 0.00 0.00 32.46 29.24 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 0.56 -0.48 0.07 -0.13 0.00 -0.70 -4.90 105.19 99.61 2yua n GLY 82 Ca 0.27 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.68 0.41 -4.68 0.99 4.77 0.50 -4.92 117.00 109.38 2yua n LEU 83 Ca -0.01 0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 2yua n LEU 83 Cb 0.57 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 2yua n LEU 83 CO 0.60 0.04 1.51 -0.22 -1.33 0.00 0.00 177.39 177.98 2yua s LEU 84 N -5.12 4.41 0.26 2.23 2.96 -1.24 -4.90 118.68 117.28 2yua s LEU 84 Ca -0.05 2.76 -0.14 0.00 -0.22 0.00 0.00 54.13 56.48 2yua s LEU 84 Cb 0.11 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.16 2yua s LEU 84 CO 0.85 -1.02 0.66 -0.44 -1.32 0.00 0.00 176.35 175.07 2yua s SER 85 N 3.09 6.77 0.30 3.68 0.01 -1.26 -4.96 113.70 121.35 2yua s SER 85 Ca 0.83 1.17 0.06 0.00 1.31 0.00 0.00 55.95 59.32 2yua s SER 85 Cb -0.46 -2.33 0.80 0.00 0.21 0.00 0.00 66.02 64.25 2yua s SER 85 CO 0.38 -0.10 1.70 0.44 0.41 0.00 0.00 173.24 176.07 2yua h ASP 86 N 2.65 0.41 -0.58 2.44 5.19 -2.01 0.53 116.42 125.05 2yua h ASP 86 Ca -0.48 0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.15 2yua h ASP 86 Cb 1.18 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 2yua h ASP 86 CO 0.66 0.00 0.39 -0.33 -3.12 0.00 0.00 179.24 176.84 2yua h GLU 87 N 0.42 0.52 -0.38 3.56 3.07 -2.01 -1.11 114.58 118.66 2yua h GLU 87 Ca 0.60 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.32 2yua h GLU 87 Cb 1.16 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.94 2yua h GLU 87 CO -0.53 0.35 -0.18 -0.44 -1.40 0.00 0.00 179.01 176.80 2yua h ASP 88 N 0.54 0.72 0.38 1.42 3.32 -0.31 -2.00 116.42 120.48 2yua h ASP 88 Ca 0.25 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2yua h ASP 88 Cb 0.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2yua h ASP 88 CO -0.07 0.90 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.00 2yua h LEU 89 N 0.64 -0.73 -1.02 1.55 3.38 -0.94 -2.90 115.31 115.30 2yua h LEU 89 Ca 0.10 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2yua h LEU 89 Cb 0.66 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 2yua h LEU 89 CO 0.05 -0.40 0.64 0.08 0.09 0.00 0.00 178.44 178.90 2yua h ARG 90 N -0.63 1.07 -3.73 1.13 -0.00 -1.59 -3.48 114.38 107.15 2yua h ARG 90 Ca -0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.87 2yua h ARG 90 Cb 0.52 -0.24 0.00 0.00 -0.00 0.00 0.00 29.97 30.25 2yua h ARG 90 CO 0.02 0.71 -0.29 0.41 -0.00 0.00 0.00 179.97 180.82 2yua n GLY 91 N -1.36 -2.65 3.64 0.08 0.00 -0.75 -4.94 105.19 99.21 2yua n GLY 91 Ca 0.17 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.82 3.96 -1.20 1.61 0.04 -1.26 -4.94 135.00 132.40 2yua s PRO 92 Ca 0.02 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 2yua s PRO 92 Cb -0.01 -3.98 0.22 0.00 0.04 0.00 0.00 34.50 30.77 2yua s PRO 92 CO 0.26 -1.09 1.64 0.41 0.04 0.00 0.00 177.00 178.27 2yua n GLY 93 N 4.36 4.70 3.66 0.56 0.00 -1.26 -5.01 105.19 112.21 2yua n GLY 93 Ca 0.18 -2.31 -0.45 0.00 0.00 0.00 0.00 46.02 43.43 2yua n GLY 93 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yua n SER 94 N 3.14 2.63 -4.85 1.61 2.88 -1.26 -4.96 113.62 112.80 2yua n SER 94 Ca 0.34 1.14 -0.34 0.00 -1.33 0.00 0.00 58.87 58.67 2yua n SER 94 Cb 0.36 -1.40 -0.06 0.00 -0.75 0.00 0.00 64.21 62.36 2yua n SER 94 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yua s GLY 95 N 0.32 2.41 0.00 0.46 0.00 -1.26 -4.95 107.32 104.30 2yua s GLY 95 Ca 0.70 -0.16 0.11 0.00 0.00 0.00 0.00 44.72 45.37 2yua s GLY 95 CO 0.49 0.09 1.10 -1.55 0.00 0.00 0.00 173.10 173.23 2yua n PRO 96 N 0.56 0.49 -3.15 2.90 -0.04 -1.26 -4.85 135.00 129.65 2yua n PRO 96 Ca -0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2yua n PRO 96 Cb 0.52 -1.36 0.07 0.00 -0.04 0.00 0.00 33.50 32.69 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 -3.91 -4.65 3.54 7.64 -1.26 -5.03 113.62 109.09 2yua n SER 97 Ca 0.08 -0.58 -0.24 0.00 1.01 0.00 0.00 58.87 59.14 2yua n SER 97 Cb 0.04 -4.59 -0.08 0.00 -1.01 0.00 0.00 64.21 58.56 2yua n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yua s SER 98 N -3.80 4.25 0.00 6.43 1.04 -1.26 -5.35 113.70 115.00 2yua s SER 98 Ca 0.19 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2yua s SER 98 Cb -0.02 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.54 2yua s SER 98 CO 0.64 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.21