#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2w n SER 2 N 0.00 0.00 -0.03 1.62 2.88 -1.26 -3.62 113.62 113.21 2d2w n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2d2w n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2d2w n SER 2 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2d2w h LYS 3 N 0.00 -0.05 -6.42 -1.46 6.56 -2.04 -3.43 116.57 109.74 2d2w h LYS 3 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.03 2d2w h LYS 3 Cb 0.00 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.62 2d2w h LYS 3 CO 0.00 0.39 0.98 -1.25 -2.06 0.00 0.00 179.45 177.51 2d2w s PRO 4 N -2.15 3.84 -0.09 3.15 0.04 -1.24 -4.86 135.00 133.70 2d2w s PRO 4 Ca -0.09 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 61.94 2d2w s PRO 4 Cb -0.01 -3.90 -0.10 0.00 0.04 0.00 0.00 34.50 30.53 2d2w s PRO 4 CO 0.34 -1.22 0.44 -1.00 0.04 0.00 0.00 177.00 175.60 2d2w h PRO 5 N 9.49 -0.13 -6.52 0.56 0.13 -1.84 -1.61 132.00 132.08 2d2w h PRO 5 Ca -0.26 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.22 2d2w h PRO 5 Cb 1.09 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.10 2d2w h PRO 5 CO 1.05 0.19 -0.73 0.71 -0.23 0.00 0.00 178.00 178.99 2d2w s TYR 6 N -2.37 2.77 1.08 1.56 2.02 -1.26 -3.88 117.35 117.27 2d2w s TYR 6 Ca -0.08 -0.14 -0.21 0.00 -0.37 0.00 0.00 57.07 56.27 2d2w s TYR 6 Cb -0.00 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2d2w s TYR 6 CO 0.28 0.44 -0.43 0.43 -1.57 0.00 0.00 175.55 174.69 2d2w n SER 7 N 0.65 -2.61 -0.57 2.29 7.64 -1.26 -4.38 113.62 115.38 2d2w n SER 7 Ca -0.13 -0.07 0.03 0.00 1.01 0.00 0.00 58.87 59.71 2d2w n SER 7 Cb 0.52 -0.83 0.10 0.00 -1.01 0.00 0.00 64.21 62.99 2d2w n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2d2w n TYR 8 N -4.12 0.39 0.00 1.43 4.01 -1.26 -1.06 117.16 116.55 2d2w n TYR 8 Ca 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2d2w n TYR 8 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2d2w n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d2w n ALA 9 N 0.14 1.93 0.00 -0.72 0.00 -1.26 -4.38 120.51 116.22 2d2w n ALA 9 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2d2w n ALA 9 Cb 0.30 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 2d2w n ALA 9 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2d2w h GLN 10 N 0.00 0.13 -0.77 0.00 4.15 -1.89 -2.78 115.11 113.95 2d2w h GLN 10 Ca 0.00 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.23 2d2w h GLN 10 Cb 0.91 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.64 2d2w h GLN 10 CO 0.00 0.84 0.49 1.25 -1.93 0.00 0.00 178.83 179.48 2d2w h LEU 11 N 0.03 0.83 0.25 -2.39 5.85 -1.30 -1.34 115.31 117.25 2d2w h LEU 11 Ca -0.32 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2d2w h LEU 11 Cb 2.02 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2d2w h LEU 11 CO 0.10 0.58 -0.12 0.40 -0.34 0.00 0.00 178.44 179.06 2d2w h ILE 12 N 0.98 0.78 -0.92 4.05 1.08 -1.76 -1.77 117.51 119.96 2d2w h ILE 12 Ca 0.30 -0.67 0.22 0.00 -0.39 0.00 0.00 64.86 64.32 2d2w h ILE 12 Cb -0.04 1.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.79 2d2w h ILE 12 CO -0.09 0.14 0.61 0.58 -0.69 0.00 0.00 178.15 178.70 2d2w h VAL 13 N -0.71 0.63 -0.00 1.67 2.07 -1.19 0.70 116.25 119.41 2d2w h VAL 13 Ca -0.03 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 2d2w h VAL 13 Cb 0.49 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2d2w h VAL 13 CO 0.06 0.06 -0.85 -0.61 0.02 0.00 0.00 177.57 176.25 2d2w h GLN 14 N 0.32 0.19 0.76 1.57 4.15 -1.13 0.16 115.11 121.14 2d2w h GLN 14 Ca 0.47 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 2d2w h GLN 14 Cb 1.32 0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.07 2d2w h GLN 14 CO -0.15 0.93 -0.36 0.00 -1.93 0.00 0.00 178.83 177.31 2d2w h ALA 15 N 1.00 -1.02 -0.19 3.38 0.00 0.12 -1.57 119.26 120.98 2d2w h ALA 15 Ca -0.04 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 2d2w h ALA 15 Cb 1.46 0.39 0.01 0.00 0.00 0.00 0.00 17.79 19.65 2d2w h ALA 15 CO 0.13 -0.95 -0.68 -0.84 0.00 0.00 0.00 179.25 176.91 2d2w h ILE 16 N -1.25 1.28 -0.28 0.00 3.07 -1.16 -2.01 117.51 117.16 2d2w h ILE 16 Ca -0.10 -1.87 0.03 0.00 1.55 0.00 0.00 64.86 64.46 2d2w h ILE 16 Cb 0.79 1.88 -0.03 0.00 -0.27 0.00 0.00 36.82 39.19 2d2w h ILE 16 CO 0.17 0.60 0.10 0.77 -1.05 0.00 0.00 178.15 178.74 2d2w h SER 17 N 0.54 0.12 0.53 2.16 4.64 -1.04 -0.32 113.55 120.19 2d2w h SER 17 Ca -0.03 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d2w h SER 17 Cb 1.30 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2d2w h SER 17 CO 0.14 0.10 0.00 -1.20 -0.87 0.00 0.00 176.83 175.01 2d2w n SER 18 N -5.02 0.00 -3.45 4.97 7.64 -0.59 -4.79 113.62 112.38 2d2w n SER 18 Ca -0.01 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2d2w n SER 18 Cb 0.09 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2w n ALA 19 N -1.29 0.00 -0.68 -0.43 0.00 -0.13 -4.97 120.51 113.01 2d2w n ALA 19 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2d2w n ALA 19 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2d2w n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2d2w n GLN 20 N -0.44 0.00 0.00 0.00 7.27 -1.26 -4.75 117.38 118.20 2d2w n GLN 20 Ca 0.00 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.23 2d2w n GLN 20 Cb 0.00 -0.99 0.00 0.00 2.41 0.00 0.00 30.24 31.66 2d2w n GLN 20 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2d2w n ASP 21 N -0.97 0.00 0.00 1.69 8.00 -1.26 -5.00 116.55 119.01 2d2w n ASP 21 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2d2w n ASP 21 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2d2w n ASP 21 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2d2w n ARG 22 N -1.85 0.00 -4.08 -1.24 -4.01 -1.26 -4.82 116.66 99.40 2d2w n ARG 22 Ca 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 57.85 56.67 2d2w n ARG 22 Cb 0.00 0.00 -0.12 0.00 -3.04 0.00 0.00 32.46 29.30 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 2d2w s GLN 23 N 0.00 0.52 0.02 2.89 -2.07 -1.26 -3.04 119.66 116.72 2d2w s GLN 23 Ca 0.00 -0.69 -0.02 0.00 -1.82 0.00 0.00 55.36 52.83 2d2w s GLN 23 Cb 0.00 -0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 31.58 2d2w s GLN 23 CO 0.00 0.06 0.02 -0.51 -1.32 0.00 0.00 175.29 173.54 2d2w s LEU 24 N -1.40 2.06 0.00 2.60 1.43 -0.96 -4.81 118.68 117.60 2d2w s LEU 24 Ca -0.08 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 2d2w s LEU 24 Cb -0.09 0.28 0.21 0.00 0.03 0.00 0.00 46.19 46.62 2d2w s LEU 24 CO 0.00 -0.36 1.24 0.35 0.23 0.00 0.00 176.35 177.82 2d2w n THR 25 N 1.38 0.00 -0.32 5.49 -2.24 -1.26 -2.78 114.28 114.55 2d2w n THR 25 Ca -0.23 -1.03 -0.04 0.00 -2.27 0.00 0.00 64.05 60.49 2d2w n THR 25 Cb 0.56 -1.44 0.08 0.00 -2.10 0.00 0.00 70.33 67.43 2d2w n THR 25 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2d2w h LEU 26 N 0.00 1.06 -3.96 3.22 6.46 -1.94 -2.28 115.31 117.87 2d2w h LEU 26 Ca -0.40 -0.08 -0.57 0.00 -0.12 0.00 0.00 57.88 56.71 2d2w h LEU 26 Cb 1.15 -0.27 -0.29 0.00 -0.73 0.00 0.00 40.66 40.52 2d2w h LEU 26 CO 0.30 0.83 0.73 -1.20 -0.62 0.00 0.00 178.44 178.48 2d2w n SER 27 N -4.39 5.24 -0.14 1.25 7.64 -1.26 -4.38 113.62 117.58 2d2w n SER 27 Ca 0.09 -3.64 -0.28 0.00 1.01 0.00 0.00 58.87 56.05 2d2w n SER 27 Cb 0.07 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 2d2w n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d2w n GLY 28 N -1.01 -0.43 0.37 0.23 0.00 -0.86 -4.04 105.19 99.45 2d2w n GLY 28 Ca 0.60 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.64 2d2w n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2d2w h ILE 29 N -0.82 0.80 0.05 -0.61 2.10 -1.76 -0.75 117.51 116.51 2d2w h ILE 29 Ca -0.67 -0.06 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 2d2w h ILE 29 Cb 1.65 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 2d2w h ILE 29 CO -0.37 0.03 -0.02 1.88 -1.08 0.00 0.00 178.15 178.59 2d2w h TYR 30 N 0.18 -0.06 0.00 2.19 0.05 -1.82 -2.28 116.97 115.23 2d2w h TYR 30 Ca 0.26 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2d2w h TYR 30 Cb 0.79 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.55 2d2w h TYR 30 CO -0.00 0.43 0.00 0.00 -1.05 0.00 0.00 178.16 177.54 2d2w h ALA 31 N 0.34 1.00 -1.55 3.88 0.00 -1.50 -1.49 119.26 119.94 2d2w h ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2d2w h ALA 31 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2d2w h ALA 31 CO 0.01 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.84 2d2w n HIS 32 N -2.61 0.00 -0.32 0.00 -0.00 -0.36 -3.33 115.22 108.59 2d2w n HIS 32 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.79 2d2w n HIS 32 Cb 0.16 -0.24 0.28 0.00 -0.00 0.00 0.00 29.99 30.19 2d2w n HIS 32 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 2d2w h ILE 33 N 0.00 0.93 -0.29 3.57 -0.00 -1.49 -0.16 117.51 120.08 2d2w h ILE 33 Ca 0.00 -0.32 0.07 0.00 -0.00 0.00 0.00 64.86 64.61 2d2w h ILE 33 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 36.82 36.74 2d2w h ILE 33 CO 0.00 0.17 0.20 0.71 -0.00 0.00 0.00 178.15 179.23 2d2w h THR 34 N 0.92 0.89 0.12 2.19 1.35 -1.44 0.78 112.91 117.72 2d2w h THR 34 Ca 0.46 -0.02 -0.28 0.00 -0.55 0.00 0.00 66.41 66.02 2d2w h THR 34 Cb 0.48 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2d2w h THR 34 CO -0.22 0.01 -1.43 0.11 -0.25 0.00 0.00 175.52 173.74 2d2w h LYS 35 N 0.06 0.25 -0.06 4.72 1.57 -1.05 -3.33 116.57 118.73 2d2w h LYS 35 Ca 0.13 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2d2w h LYS 35 Cb 0.46 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2d2w h LYS 35 CO -0.01 1.20 0.00 0.72 -0.57 0.00 0.00 179.45 180.79 2d2w n HIS 36 N -3.91 0.08 -3.79 -1.35 8.25 -0.74 -4.70 115.22 109.07 2d2w n HIS 36 Ca -0.25 -0.04 -0.22 0.00 -0.26 0.00 0.00 57.72 56.95 2d2w n HIS 36 Cb 0.91 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.84 2d2w n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2d2w s TYR 37 N -1.92 0.60 -1.33 4.41 1.51 0.27 -5.00 117.35 115.89 2d2w s TYR 37 Ca 0.32 -0.12 0.26 0.00 -1.01 0.00 0.00 57.07 56.52 2d2w s TYR 37 Cb 0.16 -0.74 1.25 0.00 -0.11 0.00 0.00 41.96 42.51 2d2w s TYR 37 CO 0.26 -0.30 1.85 -0.35 -1.11 0.00 0.00 175.55 175.90 2d2w n PRO 38 N 5.06 0.28 -0.02 -1.71 -0.04 -1.26 -3.28 135.00 134.04 2d2w n PRO 38 Ca -0.08 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2d2w n PRO 38 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 2d2w n PRO 38 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2d2w n TYR 39 N -1.33 1.03 0.91 0.54 4.19 -1.26 -3.97 117.16 117.27 2d2w n TYR 39 Ca 0.11 0.29 0.08 0.00 3.31 0.00 0.00 57.90 61.69 2d2w n TYR 39 Cb 0.23 -1.16 0.23 0.00 0.49 0.00 0.00 39.34 39.13 2d2w n TYR 39 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2d2w n TYR 40 N -3.22 0.42 -0.05 2.98 4.02 -1.21 -4.05 117.16 116.05 2d2w n TYR 40 Ca -0.25 -0.21 -0.01 0.00 -0.01 0.00 0.00 57.90 57.42 2d2w n TYR 40 Cb 1.05 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 40.64 2d2w n TYR 40 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 2d2w h ARG 41 N 2.28 0.64 -2.52 -0.72 0.11 -1.68 -3.36 114.38 109.14 2d2w h ARG 41 Ca 0.00 -0.13 -0.59 0.00 0.10 0.00 0.00 59.98 59.36 2d2w h ARG 41 Cb 0.51 -0.10 -0.39 0.00 1.11 0.00 0.00 29.97 31.11 2d2w h ARG 41 CO 0.00 0.62 -0.90 0.95 0.10 0.00 0.00 179.97 180.74 2d2w s THR 42 N -5.09 0.44 0.02 0.08 -4.23 -1.26 -5.07 115.64 100.52 2d2w s THR 42 Ca -0.08 -2.35 0.00 0.00 -1.18 0.00 0.00 61.69 58.07 2d2w s THR 42 Cb 0.16 -1.32 -0.00 0.00 1.34 0.00 0.00 72.50 72.68 2d2w s THR 42 CO 0.78 -1.11 0.00 0.00 -0.54 0.00 0.00 174.62 173.75 2d2w n ALA 43 N 3.31 0.01 -2.12 3.99 0.00 -1.26 -5.09 120.51 119.35 2d2w n ALA 43 Ca 0.21 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 2d2w n ALA 43 Cb 0.42 0.04 0.03 0.00 0.00 0.00 0.00 19.45 19.94 2d2w n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d2w s ASP 44 N -1.10 5.12 -1.42 0.00 1.11 -1.26 -4.99 116.67 114.13 2d2w s ASP 44 Ca 0.00 -0.82 -0.11 0.00 0.18 0.00 0.00 52.55 51.80 2d2w s ASP 44 Cb 0.00 -0.00 0.07 0.00 1.07 0.00 0.00 42.92 44.06 2d2w s ASP 44 CO 0.00 -1.08 2.28 0.29 1.18 0.00 0.00 175.17 177.84 2d2w n LYS 45 N -1.97 3.49 0.00 8.23 5.02 -1.26 -4.51 118.16 127.16 2d2w n LYS 45 Ca 0.09 -2.93 0.00 0.00 -2.02 0.00 0.00 58.31 53.45 2d2w n LYS 45 Cb 0.62 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d2w n GLY 46 N 3.27 -0.13 0.35 0.72 0.00 -1.26 -4.59 105.19 103.55 2d2w n GLY 46 Ca 0.55 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.58 2d2w n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2d2w h TRP 47 N 0.00 0.95 -0.42 1.61 5.08 -1.99 -0.56 115.95 120.62 2d2w h TRP 47 Ca 0.00 0.02 0.12 0.00 1.08 0.00 0.00 58.89 60.11 2d2w h TRP 47 Cb 0.00 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 25.82 2d2w h TRP 47 CO 0.00 0.59 0.41 -0.56 -1.28 0.00 0.00 178.44 177.59 2d2w h GLN 48 N 1.02 0.00 0.17 0.12 -0.00 -1.85 0.38 115.11 114.95 2d2w h GLN 48 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.93 2d2w h GLN 48 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.41 2d2w h GLN 48 CO -0.07 0.00 -0.08 -0.91 -0.00 0.00 0.00 178.83 177.77 2d2w h ASN 49 N 0.00 -0.20 0.20 0.06 2.35 -1.35 -3.12 115.58 113.53 2d2w h ASN 49 Ca 0.20 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2d2w h ASN 49 Cb 1.01 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2d2w h ASN 49 CO -0.00 0.35 0.00 -1.20 -1.65 0.00 0.00 177.43 174.92 2d2w n SER 50 N -4.92 0.00 0.03 5.81 7.64 -0.63 -2.77 113.62 118.79 2d2w n SER 50 Ca -0.05 0.49 -0.02 0.00 1.01 0.00 0.00 58.87 60.30 2d2w n SER 50 Cb 0.20 -0.50 -0.01 0.00 -1.01 0.00 0.00 64.21 62.89 2d2w n SER 50 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2d2w h ILE 51 N 0.00 0.00 -0.98 0.44 1.08 -0.24 0.38 117.51 118.19 2d2w h ILE 51 Ca 0.00 -0.18 0.22 0.00 -0.39 0.00 0.00 64.86 64.52 2d2w h ILE 51 Cb 0.10 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.76 2d2w h ILE 51 CO 0.00 0.00 0.63 -0.09 -0.69 0.00 0.00 178.15 178.00 2d2w h ARG 52 N -0.29 0.48 -0.00 2.37 2.43 -1.53 0.58 114.38 118.43 2d2w h ARG 52 Ca -0.01 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 2d2w h ARG 52 Cb 0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2d2w h ARG 52 CO 0.02 0.32 -0.73 1.25 -1.51 0.00 0.00 179.97 179.32 2d2w h HIS 53 N 0.50 0.02 -0.29 2.20 2.76 -1.57 -3.24 115.15 115.53 2d2w h HIS 53 Ca 0.55 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.54 2d2w h HIS 53 Cb 1.23 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.19 2d2w h HIS 53 CO -0.00 0.74 -0.48 -0.91 -1.30 0.00 0.00 177.93 175.97 2d2w h ASN 54 N 0.01 0.92 0.09 3.26 2.35 0.45 -2.84 115.58 119.82 2d2w h ASN 54 Ca -0.01 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2d2w h ASN 54 Cb 1.29 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2d2w h ASN 54 CO 0.10 1.26 0.00 0.18 -1.65 0.00 0.00 177.43 177.32 2d2w n LEU 55 N -4.08 0.00 -0.11 1.61 7.99 -0.50 -1.02 117.00 120.89 2d2w n LEU 55 Ca -0.04 0.06 -0.22 0.00 -0.01 0.00 0.00 56.01 55.80 2d2w n LEU 55 Cb 0.59 -0.06 -0.11 0.00 -0.11 0.00 0.00 43.42 43.73 2d2w n LEU 55 CO 0.49 -0.01 -0.63 -1.20 -1.51 0.00 0.00 177.39 174.53 2d2w n SER 56 N -1.06 1.87 0.09 -1.43 7.64 -1.08 -3.35 113.62 116.30 2d2w n SER 56 Ca 0.17 0.42 0.10 0.00 1.01 0.00 0.00 58.87 60.57 2d2w n SER 56 Cb 0.11 -0.94 -0.01 0.00 -1.01 0.00 0.00 64.21 62.35 2d2w n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d2w n LEU 57 N -4.42 0.84 -4.07 -3.43 -0.00 -1.18 -4.90 117.00 99.84 2d2w n LEU 57 Ca -0.33 0.33 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2d2w n LEU 57 Cb 0.68 -0.04 0.06 0.00 -0.00 0.00 0.00 43.42 44.12 2d2w n LEU 57 CO 0.16 -0.14 -1.53 0.59 -0.00 0.00 0.00 177.39 176.48 2d2w n ASN 58 N -2.70 -3.69 0.00 1.45 5.03 -0.19 -4.91 115.26 110.26 2d2w n ASN 58 Ca -0.01 0.06 -0.20 0.00 0.87 0.00 0.00 54.58 55.30 2d2w n ASN 58 Cb 0.59 -0.70 -0.14 0.00 -1.02 0.00 0.00 39.78 38.51 2d2w n ASN 58 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2d2w n ARG 59 N 1.48 0.74 0.01 3.52 0.63 -1.26 -4.38 116.66 117.40 2d2w n ARG 59 Ca -0.01 0.27 0.05 0.00 -0.92 0.00 0.00 57.85 57.24 2d2w n ARG 59 Cb 0.67 -1.73 -0.12 0.00 0.45 0.00 0.00 32.46 31.73 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2d2w n TYR 60 N -3.42 0.39 -2.38 -0.14 0.18 -1.26 -4.93 117.16 105.59 2d2w n TYR 60 Ca -0.29 0.12 -0.33 0.00 1.88 0.00 0.00 57.90 59.28 2d2w n TYR 60 Cb 1.05 -0.79 -0.03 0.00 -0.38 0.00 0.00 39.34 39.19 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2d2w s PHE 61 N -3.19 3.19 0.28 -3.48 0.08 -1.26 -0.87 117.98 112.71 2d2w s PHE 61 Ca -0.06 1.53 0.04 0.00 0.12 0.00 0.00 56.93 58.55 2d2w s PHE 61 Cb 0.11 -2.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 2d2w s PHE 61 CO 0.85 -0.66 0.21 0.96 -0.10 0.00 0.00 175.22 176.48 2d2w s ILE 62 N -2.36 0.03 0.01 0.64 -4.36 0.93 -4.73 121.20 111.35 2d2w s ILE 62 Ca 0.63 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 2d2w s ILE 62 Cb -0.13 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 2d2w s ILE 62 CO 0.28 0.00 -0.15 -0.54 0.24 0.00 0.00 174.94 174.76 2d2w s LYS 63 N -3.76 1.17 -0.47 0.37 -0.14 -1.26 -2.11 119.74 113.54 2d2w s LYS 63 Ca 0.40 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 54.32 2d2w s LYS 63 Cb 0.04 -1.16 0.12 0.00 -1.68 0.00 0.00 37.83 35.16 2d2w s LYS 63 CO 0.21 0.31 0.29 0.08 -0.76 0.00 0.00 175.35 175.47 2d2w s VAL 64 N -0.53 3.59 0.16 3.17 1.01 -0.59 -4.91 120.40 122.31 2d2w s VAL 64 Ca 0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 61.98 59.81 2d2w s VAL 64 Cb -0.07 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.94 2d2w s VAL 64 CO 0.00 -0.75 0.20 -0.81 0.00 0.00 0.00 175.10 173.74 2d2w n PRO 65 N 4.43 -0.39 -0.54 2.72 -0.04 -1.26 -4.05 135.00 135.86 2d2w n PRO 65 Ca -0.01 -0.31 -0.02 0.00 -0.04 0.00 0.00 63.50 63.11 2d2w n PRO 65 Cb 0.41 -0.22 0.17 0.00 -0.04 0.00 0.00 33.50 33.82 2d2w n PRO 65 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2d2w n ARG 66 N -1.54 2.59 -0.91 0.54 0.63 -1.26 -4.05 116.66 112.66 2d2w n ARG 66 Ca 0.03 -1.65 0.06 0.00 -0.92 0.00 0.00 57.85 55.36 2d2w n ARG 66 Cb 0.09 -1.81 0.40 0.00 0.45 0.00 0.00 32.46 31.59 2d2w n ARG 66 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2d2w n SER 67 N 0.08 5.68 -4.99 6.15 2.88 -1.26 -4.95 113.62 117.22 2d2w n SER 67 Ca 0.21 -2.95 -0.19 0.00 -1.33 0.00 0.00 58.87 54.61 2d2w n SER 67 Cb 0.89 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 2d2w n SER 67 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2d2w s GLN 68 N -2.78 2.90 0.00 -1.46 -0.44 -1.26 -4.97 119.66 111.66 2d2w s GLN 68 Ca 0.54 -0.99 0.26 0.00 -2.50 0.00 0.00 55.36 52.68 2d2w s GLN 68 Cb 0.42 -2.71 1.55 0.00 -1.64 0.00 0.00 33.01 30.63 2d2w s GLN 68 CO 0.16 -0.24 1.92 0.39 0.50 0.00 0.00 175.29 178.02 2d2w n GLU 69 N -1.90 0.85 -3.78 1.67 1.02 -1.26 -4.76 120.64 112.48 2d2w n GLU 69 Ca 0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 2d2w n GLU 69 Cb 0.59 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2d2w s GLU 70 N -2.00 3.56 -0.95 3.49 0.41 -1.26 -5.02 118.70 116.92 2d2w s GLU 70 Ca 0.39 -0.12 -0.24 0.00 -0.41 0.00 0.00 54.97 54.60 2d2w s GLU 70 Cb 0.18 -3.08 0.04 0.00 -1.78 0.00 0.00 34.13 29.49 2d2w s GLU 70 CO 0.30 0.65 1.47 -1.25 -0.49 0.00 0.00 175.26 175.94 2d2w s PRO 71 N -1.79 3.42 0.32 0.39 0.04 -1.26 -4.96 135.00 131.15 2d2w s PRO 71 Ca 0.28 -0.86 0.09 0.00 0.04 0.00 0.00 61.00 60.54 2d2w s PRO 71 Cb -0.13 -5.11 -0.05 0.00 0.04 0.00 0.00 34.50 29.26 2d2w s PRO 71 CO 0.16 -2.30 0.06 0.20 0.04 0.00 0.00 177.00 175.17 2d2w s GLY 72 N 5.07 1.90 -0.24 0.56 0.00 -1.26 -5.05 107.32 108.29 2d2w s GLY 72 Ca 0.46 -1.82 0.16 0.00 0.00 0.00 0.00 44.72 43.53 2d2w s GLY 72 CO -0.04 -1.79 1.30 1.17 0.00 0.00 0.00 173.10 173.74 2d2w n LYS 73 N -1.02 1.23 0.00 2.90 4.81 -1.26 -4.99 118.16 119.82 2d2w n LYS 73 Ca -0.04 -2.08 0.00 0.00 -0.87 0.00 0.00 58.31 55.32 2d2w n LYS 73 Cb 0.61 -0.33 0.00 0.00 0.02 0.00 0.00 35.03 35.33 2d2w n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d2w n GLY 74 N -0.86 4.02 2.92 3.14 0.00 -1.26 -5.15 105.19 107.99 2d2w n GLY 74 Ca -0.08 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 2d2w n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d2w s SER 75 N 1.73 2.19 -0.17 1.61 0.01 -1.26 -4.91 113.70 112.90 2d2w s SER 75 Ca 0.00 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 2d2w s SER 75 Cb 0.00 -0.86 0.06 0.00 0.21 0.00 0.00 66.02 65.43 2d2w s SER 75 CO 0.00 -0.11 0.06 0.12 0.41 0.00 0.00 173.24 173.72 2d2w s PHE 76 N 1.66 0.58 -0.01 2.43 2.19 -1.26 -4.10 117.98 119.47 2d2w s PHE 76 Ca 0.04 -0.54 0.03 0.00 0.33 0.00 0.00 56.93 56.79 2d2w s PHE 76 Cb -0.13 -0.84 -0.03 0.00 -1.31 0.00 0.00 43.02 40.71 2d2w s PHE 76 CO -0.08 -0.54 -0.05 1.67 1.83 0.00 0.00 175.22 178.05 2d2w s TRP 77 N 2.01 2.93 0.12 10.12 1.48 -1.12 -1.54 118.94 132.95 2d2w s TRP 77 Ca 0.01 -0.01 -0.05 0.00 -1.06 0.00 0.00 56.10 54.99 2d2w s TRP 77 Cb -0.16 -1.63 -0.02 0.00 -1.16 0.00 0.00 33.47 30.49 2d2w s TRP 77 CO -0.08 0.38 0.15 -0.98 -4.06 0.00 0.00 176.95 172.36 2d2w s ARG 78 N -1.35 0.94 0.46 3.25 1.70 -0.90 -2.25 118.95 120.80 2d2w s ARG 78 Ca 0.17 -1.23 -0.06 0.00 -0.47 0.00 0.00 55.73 54.15 2d2w s ARG 78 Cb -0.11 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 2d2w s ARG 78 CO 0.07 -0.29 0.76 -1.50 -1.08 0.00 0.00 175.30 173.26 2d2w s ILE 79 N -3.97 4.91 0.42 4.99 2.07 -1.17 -0.05 121.20 128.41 2d2w s ILE 79 Ca 0.16 0.21 -0.26 0.00 -1.41 0.00 0.00 60.65 59.34 2d2w s ILE 79 Cb 0.06 -3.84 -0.09 0.00 0.13 0.00 0.00 42.46 38.72 2d2w s ILE 79 CO -0.03 -0.77 1.38 -1.81 -1.91 0.00 0.00 174.94 171.81 2d2w s ASP 80 N -3.94 6.11 0.38 4.50 1.11 -0.05 -4.87 116.67 119.91 2d2w s ASP 80 Ca 0.47 2.83 0.20 0.00 0.18 0.00 0.00 52.55 56.24 2d2w s ASP 80 Cb -0.10 -2.65 0.28 0.00 1.07 0.00 0.00 42.92 41.51 2d2w s ASP 80 CO 0.42 -1.01 1.56 1.55 1.18 0.00 0.00 175.17 178.87 2d2w h PRO 81 N 2.55 0.00 0.00 8.23 0.13 -1.94 -2.12 132.00 138.85 2d2w h PRO 81 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2d2w h PRO 81 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2d2w h PRO 81 CO 0.62 0.20 -1.14 0.00 -0.23 0.00 0.00 178.00 177.45 2d2w n ALA 82 N -2.15 2.48 0.87 -0.56 0.00 -1.26 -3.95 120.51 115.93 2d2w n ALA 82 Ca 0.03 -0.29 0.09 0.00 0.00 0.00 0.00 53.44 53.27 2d2w n ALA 82 Cb 0.60 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 2d2w n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d2w n SER 83 N -2.67 1.24 -0.34 0.00 7.64 -1.22 -4.42 113.62 113.86 2d2w n SER 83 Ca -0.02 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2d2w n SER 83 Cb 0.58 0.80 0.16 0.00 -1.01 0.00 0.00 64.21 64.75 2d2w n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2d2w h GLU 84 N 0.82 1.19 0.00 1.43 4.81 -1.50 0.53 114.58 121.86 2d2w h GLU 84 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2d2w h GLU 84 Cb 0.52 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2d2w h GLU 84 CO 0.00 0.79 -0.02 0.00 -0.73 0.00 0.00 179.01 179.05 2d2w h ALA 85 N 1.43 1.05 0.00 2.92 0.00 -1.80 -1.91 119.26 120.95 2d2w h ALA 85 Ca 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2d2w h ALA 85 Cb -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2d2w h ALA 85 CO -0.10 0.02 -0.50 -0.22 0.00 0.00 0.00 179.25 178.45 2d2w h LYS 86 N 0.00 0.00 0.01 0.00 3.11 -1.23 -3.36 116.57 115.10 2d2w h LYS 86 Ca -0.00 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 2d2w h LYS 86 Cb 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.40 2d2w h LYS 86 CO 0.00 0.13 -0.32 1.37 -2.81 0.00 0.00 179.45 177.82 2d2w h LEU 87 N -1.00 -0.97 -1.79 5.20 -0.00 -1.18 -0.27 115.31 115.29 2d2w h LEU 87 Ca -0.04 0.12 0.52 0.00 -0.00 0.00 0.00 57.88 58.48 2d2w h LEU 87 Cb 0.53 0.39 -0.10 0.00 -0.00 0.00 0.00 40.66 41.48 2d2w h LEU 87 CO -0.02 -0.39 1.19 -0.37 -0.00 0.00 0.00 178.44 178.85 2d2w h VAL 88 N -0.48 0.05 0.07 0.15 -1.51 -1.56 0.40 116.25 113.37 2d2w h VAL 88 Ca 0.06 -0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.55 2d2w h VAL 88 Cb 0.56 0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 29.72 2d2w h VAL 88 CO -0.26 0.00 -0.27 -0.08 -1.23 0.00 0.00 177.57 175.72 2d2w h GLU 89 N 0.01 -0.44 0.00 5.19 4.81 -1.18 0.45 114.58 123.41 2d2w h GLU 89 Ca 0.89 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.15 2d2w h GLU 89 Cb 3.31 0.10 0.00 0.00 0.63 0.00 0.00 28.75 32.79 2d2w h GLU 89 CO -0.16 -0.29 0.00 1.96 -0.73 0.00 0.00 179.01 179.78 2d2w h GLN 90 N -0.46 0.00 -0.68 1.92 4.20 -0.34 -2.50 115.11 117.25 2d2w h GLN 90 Ca 0.04 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2d2w h GLN 90 Cb 0.51 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2d2w h GLN 90 CO -0.19 0.00 0.20 0.00 -0.67 0.00 0.00 178.83 178.17 2d2w h ALA 91 N 2.07 1.07 -0.44 3.87 0.00 0.59 -2.97 119.26 123.45 2d2w h ALA 91 Ca 0.00 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 54.15 2d2w h ALA 91 Cb 0.33 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 2d2w h ALA 91 CO 0.00 0.63 1.16 1.19 0.00 0.00 0.00 179.25 182.23 2d2w n PHE 92 N -4.26 1.71 -4.13 0.00 3.72 -0.79 -4.88 117.46 108.84 2d2w n PHE 92 Ca 0.05 -2.23 -0.08 0.00 -0.05 0.00 0.00 57.45 55.15 2d2w n PHE 92 Cb 0.23 -1.65 -0.03 0.00 -0.94 0.00 0.00 39.48 37.10 2d2w n PHE 92 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2d2w n ARG 93 N 1.61 0.41 -4.40 -1.08 5.12 -1.12 -5.07 116.66 112.12 2d2w n ARG 93 Ca 0.55 -1.20 -0.24 0.00 -1.93 0.00 0.00 57.85 55.02 2d2w n ARG 93 Cb 0.49 0.85 -0.09 0.00 -1.16 0.00 0.00 32.46 32.55 2d2w n ARG 93 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2d2w s LYS 94 N -2.51 1.96 -0.43 5.56 1.02 -1.26 -5.08 119.74 119.00 2d2w s LYS 94 Ca 0.11 -1.73 -0.22 0.00 0.02 0.00 0.00 55.97 54.16 2d2w s LYS 94 Cb 0.01 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2d2w s LYS 94 CO 0.08 0.23 0.71 0.50 -0.92 0.00 0.00 175.35 175.95 2d2w s ARG 95 N -3.63 3.39 0.21 1.68 6.06 -1.26 -4.64 118.95 120.75 2d2w s ARG 95 Ca 0.32 -0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.36 2d2w s ARG 95 Cb -0.02 -3.93 0.00 0.00 0.06 0.00 0.00 34.95 31.06 2d2w s ARG 95 CO 0.18 -1.02 0.00 -2.13 -2.50 0.00 0.00 175.30 169.82 2d2w n ARG 96 N 6.44 0.00 -4.41 5.12 0.63 -1.26 -4.52 116.66 118.66 2d2w n ARG 96 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.73 2d2w n ARG 96 Cb 0.48 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.29 2d2w n ARG 96 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2d2w s GLN 97 N -2.00 1.52 0.00 -0.14 2.00 -1.26 -5.05 119.66 114.73 2d2w s GLN 97 Ca 0.00 -1.77 0.00 0.00 -2.00 0.00 0.00 55.36 51.59 2d2w s GLN 97 Cb 0.00 -1.09 0.00 0.00 0.80 0.00 0.00 33.01 32.72 2d2w s GLN 97 CO 0.00 0.02 0.04 -2.13 -0.50 0.00 0.00 175.29 172.72 2d2w n ARG 98 N -0.56 4.07 -1.88 1.67 0.00 -1.26 -4.78 116.66 113.92 2d2w n ARG 98 Ca -0.05 -0.04 -0.37 0.00 -0.00 0.00 0.00 57.85 57.39 2d2w n ARG 98 Cb 0.63 -0.39 0.01 0.00 0.00 0.00 0.00 32.46 32.72 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2d2w n GLY 99 N 0.59 5.25 3.73 5.14 0.00 -1.26 -4.97 105.19 113.67 2d2w n GLY 99 Ca 0.00 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 2d2w n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d2w s VAL 100 N -4.04 4.84 -2.37 1.61 1.01 -1.26 -5.30 120.40 114.90 2d2w s VAL 100 Ca 0.53 1.67 0.29 0.00 0.00 0.00 0.00 61.98 64.46 2d2w s VAL 100 Cb 0.39 -4.14 0.64 0.00 0.00 0.00 0.00 36.38 33.27 2d2w s VAL 100 CO -0.32 0.29 1.87 -1.20 0.00 0.00 0.00 175.10 175.74