#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 -3.90 4.31 3.41 -1.26 -5.06 113.62 111.12 2d2w n SER 2 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2d2w n SER 2 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2d2w n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2d2w s LYS 3 N 0.00 1.72 0.00 4.33 1.02 -1.26 -4.96 119.74 120.59 2d2w s LYS 3 Ca 0.00 -2.34 0.11 0.00 0.02 0.00 0.00 55.97 53.76 2d2w s LYS 3 Cb 0.00 -3.05 0.37 0.00 -0.52 0.00 0.00 37.83 34.63 2d2w s LYS 3 CO 0.00 -1.09 1.28 -0.35 -0.92 0.00 0.00 175.35 174.27 2d2w n PRO 4 N 3.41 1.63 0.00 -1.68 -0.04 -1.26 -4.59 135.00 132.48 2d2w n PRO 4 Ca 0.05 -0.98 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2d2w n PRO 4 Cb 0.34 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2d2w n PRO 4 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2d2w n PRO 5 N 0.27 0.00 -3.75 0.54 -0.04 -1.26 -4.86 135.00 125.91 2d2w n PRO 5 Ca 0.11 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.66 2d2w n PRO 5 Cb 0.24 -0.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.91 2d2w n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2d2w s TYR 6 N -0.44 -0.17 1.04 0.54 1.51 -1.26 -4.10 117.35 114.46 2d2w s TYR 6 Ca 0.00 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.09 2d2w s TYR 6 Cb 0.00 0.11 0.11 0.00 -0.11 0.00 0.00 41.96 42.06 2d2w s TYR 6 CO 0.00 -0.43 0.00 0.43 -1.11 0.00 0.00 175.55 174.44 2d2w n SER 7 N 1.04 -2.77 -4.54 2.29 7.64 -1.26 -4.70 113.62 111.32 2d2w n SER 7 Ca -0.21 -0.25 -0.43 0.00 1.01 0.00 0.00 58.87 58.99 2d2w n SER 7 Cb 0.57 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2d2w n SER 7 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2d2w s TYR 8 N -2.12 3.04 0.00 1.43 1.51 -1.26 -3.15 117.35 116.80 2d2w s TYR 8 Ca 0.42 -1.81 0.00 0.00 -1.01 0.00 0.00 57.07 54.68 2d2w s TYR 8 Cb -0.06 -4.60 0.00 0.00 -0.11 0.00 0.00 41.96 37.19 2d2w s TYR 8 CO 0.48 -1.66 0.00 0.00 -1.11 0.00 0.00 175.55 173.25 2d2w n ALA 9 N 7.42 0.00 0.09 3.71 0.00 -1.26 -4.95 120.51 125.52 2d2w n ALA 9 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.72 2d2w n ALA 9 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 2d2w n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d2w h GLN 10 N 0.00 0.28 -0.29 0.00 4.20 -1.84 -2.30 115.11 115.15 2d2w h GLN 10 Ca 0.00 -0.48 0.09 0.00 0.06 0.00 0.00 58.65 58.32 2d2w h GLN 10 Cb 0.00 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2d2w h GLN 10 CO 0.00 1.19 0.34 -0.07 -0.67 0.00 0.00 178.83 179.62 2d2w h LEU 11 N 0.08 0.00 0.00 1.46 -0.00 -1.85 -0.54 115.31 114.46 2d2w h LEU 11 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.56 2d2w h LEU 11 Cb 2.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.65 2d2w h LEU 11 CO 0.19 0.00 -0.77 0.40 -0.00 0.00 0.00 178.44 178.27 2d2w h ILE 12 N 0.00 1.00 0.02 1.22 2.04 -1.89 -2.89 117.51 117.01 2d2w h ILE 12 Ca 0.14 -2.02 0.01 0.00 1.00 0.00 0.00 64.86 63.98 2d2w h ILE 12 Cb 0.81 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2d2w h ILE 12 CO -0.00 0.34 -0.19 0.58 0.00 0.00 0.00 178.15 178.88 2d2w h VAL 13 N -1.00 0.00 -0.10 1.67 2.07 -0.60 0.40 116.25 118.68 2d2w h VAL 13 Ca -0.20 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2d2w h VAL 13 Cb 1.06 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2d2w h VAL 13 CO -0.12 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.23 2d2w h GLN 14 N -0.25 0.00 0.42 1.57 4.20 -1.36 0.22 115.11 119.91 2d2w h GLN 14 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2d2w h GLN 14 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2d2w h GLN 14 CO -0.12 0.00 -0.20 0.00 -0.67 0.00 0.00 178.83 177.84 2d2w h ALA 15 N 1.69 -0.61 0.00 3.87 0.00 -0.19 -2.85 119.26 121.17 2d2w h ALA 15 Ca 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2d2w h ALA 15 Cb 0.45 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2d2w h ALA 15 CO -0.00 -0.57 -0.46 -0.84 0.00 0.00 0.00 179.25 177.38 2d2w h ILE 16 N -1.04 1.44 -0.61 0.00 3.07 -0.11 -3.12 117.51 117.14 2d2w h ILE 16 Ca -0.06 -2.26 0.03 0.00 1.55 0.00 0.00 64.86 64.13 2d2w h ILE 16 Cb 0.43 2.90 -0.04 0.00 -0.27 0.00 0.00 36.82 39.84 2d2w h ILE 16 CO 0.09 0.49 0.37 0.77 -1.05 0.00 0.00 178.15 178.82 2d2w h SER 17 N -1.00 0.59 0.41 2.16 4.64 -0.73 -0.88 113.55 118.75 2d2w h SER 17 Ca -0.13 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2d2w h SER 17 Cb 1.09 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2d2w h SER 17 CO -0.08 0.41 0.00 -0.24 -0.87 0.00 0.00 176.83 176.05 2d2w n SER 18 N -4.74 0.00 -4.73 4.97 2.88 -1.08 -4.72 113.62 106.20 2d2w n SER 18 Ca 0.06 -0.19 -0.35 0.00 -1.33 0.00 0.00 58.87 57.06 2d2w n SER 18 Cb 0.09 -0.25 -0.09 0.00 -0.75 0.00 0.00 64.21 63.22 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d2w s ALA 19 N -2.49 3.46 0.52 -1.46 0.00 -0.33 -4.95 121.76 116.51 2d2w s ALA 19 Ca 0.27 -0.75 0.40 0.00 0.00 0.00 0.00 51.96 51.88 2d2w s ALA 19 Cb 0.17 -1.67 1.58 0.00 0.00 0.00 0.00 23.12 23.21 2d2w s ALA 19 CO 0.38 0.55 1.67 -0.56 0.00 0.00 0.00 175.76 177.80 2d2w h GLN 20 N 5.30 0.04 -5.09 0.00 3.07 -1.84 -3.20 115.11 113.39 2d2w h GLN 20 Ca -0.50 -0.00 -0.66 0.00 0.09 0.00 0.00 58.65 57.57 2d2w h GLN 20 Cb 1.20 -0.01 -0.17 0.00 0.08 0.00 0.00 27.48 28.58 2d2w h GLN 20 CO 0.57 0.02 0.37 -0.51 0.09 0.00 0.00 178.83 179.37 2d2w s ASP 21 N -4.52 6.20 0.00 0.06 1.01 -1.26 -4.87 116.67 113.29 2d2w s ASP 21 Ca -0.06 -1.24 0.05 0.00 0.71 0.00 0.00 52.55 52.01 2d2w s ASP 21 Cb 0.26 -2.37 0.21 0.00 1.01 0.00 0.00 42.92 42.04 2d2w s ASP 21 CO 0.85 -1.28 1.07 0.54 0.21 0.00 0.00 175.17 176.55 2d2w n ARG 22 N 7.04 0.03 -4.09 8.23 1.74 -1.21 -4.30 116.66 124.11 2d2w n ARG 22 Ca -0.05 0.34 -0.32 0.00 -0.77 0.00 0.00 57.85 57.04 2d2w n ARG 22 Cb 0.44 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2d2w s GLN 23 N -2.80 2.53 0.08 5.56 -2.07 -1.26 -3.01 119.66 118.68 2d2w s GLN 23 Ca 0.03 -1.12 0.07 0.00 -1.82 0.00 0.00 55.36 52.53 2d2w s GLN 23 Cb 0.03 -2.74 -0.04 0.00 -1.09 0.00 0.00 33.01 29.18 2d2w s GLN 23 CO 0.08 -0.42 -0.12 -0.51 -1.32 0.00 0.00 175.29 172.99 2d2w s LEU 24 N 1.19 2.92 0.00 2.60 1.43 0.12 -4.79 118.68 122.16 2d2w s LEU 24 Ca -0.03 -0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 2d2w s LEU 24 Cb -0.17 -1.72 0.22 0.00 0.03 0.00 0.00 46.19 44.55 2d2w s LEU 24 CO -0.08 0.21 1.24 1.07 0.23 0.00 0.00 176.35 179.01 2d2w n THR 25 N 0.98 0.00 0.05 5.49 5.66 -1.26 -0.23 114.28 124.96 2d2w n THR 25 Ca -0.15 -0.88 -0.12 0.00 -3.05 0.00 0.00 64.05 59.86 2d2w n THR 25 Cb 0.52 -1.50 -0.06 0.00 -1.55 0.00 0.00 70.33 67.74 2d2w n THR 25 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2d2w h LEU 26 N 0.00 -0.11 -1.75 1.09 4.07 -1.97 -1.23 115.31 115.41 2d2w h LEU 26 Ca -0.41 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.55 2d2w h LEU 26 Cb 1.13 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2d2w h LEU 26 CO 0.29 -0.06 0.03 -0.24 -1.08 0.00 0.00 178.44 177.37 2d2w n SER 27 N -5.15 2.30 -0.13 -0.43 2.88 -1.26 -3.68 113.62 108.14 2d2w n SER 27 Ca -0.06 -2.24 -0.27 0.00 -1.33 0.00 0.00 58.87 54.96 2d2w n SER 27 Cb 0.08 -0.55 -0.10 0.00 -0.75 0.00 0.00 64.21 62.89 2d2w n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d2w n GLY 28 N 0.14 -0.42 0.29 0.46 0.00 -0.47 -3.92 105.19 101.27 2d2w n GLY 28 Ca 0.08 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.87 0.84 -0.01 -0.61 2.10 -1.61 -0.46 117.51 116.88 2d2w h ILE 29 Ca -0.66 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.27 2d2w h ILE 29 Cb 1.60 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.27 2d2w h ILE 29 CO -0.38 0.00 -0.04 1.88 -1.08 0.00 0.00 178.15 178.53 2d2w h TYR 30 N 0.00 0.06 0.00 2.19 0.05 -1.75 -2.45 116.97 115.07 2d2w h TYR 30 Ca 0.05 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2d2w h TYR 30 Cb 0.22 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2d2w h TYR 30 CO 0.00 0.66 0.00 0.00 -1.05 0.00 0.00 178.16 177.77 2d2w h ALA 31 N 0.39 1.00 -0.22 3.88 0.00 -1.54 -2.08 119.26 120.69 2d2w h ALA 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d2w h ALA 31 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 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 -2.59 0.00 0.21 0.00 -0.00 -0.23 -4.00 115.22 108.61 2d2w n HIS 32 Ca 0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.80 2d2w n HIS 32 Cb 0.25 -0.46 0.57 0.00 -0.00 0.00 0.00 29.99 30.35 2d2w n HIS 32 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 2d2w h ILE 33 N 0.00 1.05 -0.12 3.57 -0.00 -1.53 -1.64 117.51 118.83 2d2w h ILE 33 Ca 0.00 -0.18 0.04 0.00 -0.00 0.00 0.00 64.86 64.72 2d2w h ILE 33 Cb 0.00 1.00 -0.00 0.00 -0.00 0.00 0.00 36.82 37.81 2d2w h ILE 33 CO 0.00 0.06 0.25 0.71 -0.00 0.00 0.00 178.15 179.17 2d2w h THR 34 N 0.09 0.21 0.00 0.16 1.35 -1.52 0.31 112.91 113.51 2d2w h THR 34 Ca 0.02 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.62 2d2w h THR 34 Cb 0.07 0.78 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 2d2w h THR 34 CO 0.00 0.00 -1.47 0.50 -0.25 0.00 0.00 175.52 174.30 2d2w h LYS 35 N 0.00 0.00 0.00 4.72 3.11 -1.42 -3.41 116.57 119.56 2d2w h LYS 35 Ca 0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2d2w h LYS 35 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2d2w h LYS 35 CO -0.00 0.64 -0.24 0.45 -2.81 0.00 0.00 179.45 177.48 2d2w h HIS 36 N 0.00 0.00 -3.52 1.91 3.86 -0.57 -3.46 115.15 113.37 2d2w h HIS 36 Ca -0.19 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.50 2d2w h HIS 36 Cb 1.92 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.37 2d2w h HIS 36 CO 0.00 0.00 0.40 0.71 0.86 0.00 0.00 177.93 179.90 2d2w s TYR 37 N -1.64 3.72 0.07 2.45 2.02 0.51 -4.95 117.35 119.54 2d2w s TYR 37 Ca -0.07 1.71 -0.08 0.00 -0.37 0.00 0.00 57.07 58.26 2d2w s TYR 37 Cb 0.01 -3.14 -0.26 0.00 -0.40 0.00 0.00 41.96 38.17 2d2w s TYR 37 CO 0.10 -0.10 1.14 -1.00 -1.57 0.00 0.00 175.55 174.12 2d2w h PRO 38 N 5.68 0.39 -0.84 -1.71 0.13 -1.84 -3.29 132.00 130.51 2d2w h PRO 38 Ca -0.43 -0.60 0.01 0.00 -0.87 0.00 0.00 66.00 64.12 2d2w h PRO 38 Cb 1.21 0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.51 2d2w h PRO 38 CO 0.73 1.26 0.56 -0.92 -0.23 0.00 0.00 178.00 179.40 2d2w h TYR 39 N 0.14 1.05 -0.42 1.56 3.20 -1.94 -2.28 116.97 118.28 2d2w h TYR 39 Ca -0.16 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.46 2d2w h TYR 39 Cb 1.93 -0.36 -0.10 0.00 1.54 0.00 0.00 36.73 39.75 2d2w h TYR 39 CO 0.08 0.66 0.06 0.66 -1.64 0.00 0.00 178.16 177.97 2d2w n TYR 40 N -4.41 0.77 -0.00 -3.82 4.01 -1.24 -4.08 117.16 108.38 2d2w n TYR 40 Ca 0.10 -1.64 -0.01 0.00 -0.16 0.00 0.00 57.90 56.18 2d2w n TYR 40 Cb 0.04 -1.25 -0.00 0.00 -0.31 0.00 0.00 39.34 37.81 2d2w n TYR 40 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2d2w n ARG 41 N 1.46 0.09 -0.05 -0.72 0.63 -0.86 -4.12 116.66 113.09 2d2w n ARG 41 Ca 0.36 0.03 -0.22 0.00 -0.92 0.00 0.00 57.85 57.11 2d2w n ARG 41 Cb 0.68 -0.48 -0.13 0.00 0.45 0.00 0.00 32.46 32.98 2d2w n ARG 41 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2d2w h THR 42 N -0.17 0.83 -3.12 5.15 1.35 -1.78 -3.44 112.91 111.73 2d2w h THR 42 Ca 0.00 -2.26 -0.57 0.00 -0.55 0.00 0.00 66.41 63.03 2d2w h THR 42 Cb 0.17 2.39 -0.05 0.00 -1.73 0.00 0.00 68.15 68.93 2d2w h THR 42 CO 0.00 0.57 1.04 0.00 -0.25 0.00 0.00 175.52 176.89 2d2w s ALA 43 N -2.45 3.21 0.00 6.62 0.00 -1.26 -4.75 121.76 123.14 2d2w s ALA 43 Ca -0.25 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2d2w s ALA 43 Cb 0.06 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2d2w s ALA 43 CO 0.68 -2.07 0.36 -0.40 0.00 0.00 0.00 175.76 174.33 2d2w n ASP 44 N 8.30 0.00 -3.71 0.00 5.68 -1.26 -4.64 116.55 120.92 2d2w n ASP 44 Ca 0.16 -1.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.04 2d2w n ASP 44 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2d2w n ASP 44 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2d2w n LYS 45 N 0.00 4.08 0.00 0.11 4.76 -1.26 -3.87 118.16 121.98 2d2w n LYS 45 Ca 0.00 -3.56 0.00 0.00 -2.87 0.00 0.00 58.31 51.88 2d2w n LYS 45 Cb 0.49 -2.78 0.00 0.00 -1.84 0.00 0.00 35.03 30.89 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d2w n GLY 46 N 2.26 -1.27 0.01 0.72 0.00 -1.26 -4.92 105.19 100.72 2d2w n GLY 46 Ca 0.48 0.55 0.11 0.00 0.00 0.00 0.00 46.02 47.16 2d2w n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2d2w n TRP 47 N -2.89 0.00 0.09 1.61 4.27 -1.26 -3.35 117.44 115.92 2d2w n TRP 47 Ca 0.00 -0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.57 2d2w n TRP 47 Cb 0.00 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.93 2d2w n TRP 47 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2d2w h GLN 48 N 0.06 -0.23 0.00 -2.67 5.75 -1.92 -1.93 115.11 114.17 2d2w h GLN 48 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2d2w h GLN 48 Cb 0.01 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2d2w h GLN 48 CO 0.00 -0.16 0.00 0.09 -2.65 0.00 0.00 178.83 176.11 2d2w n ASN 49 N -2.84 0.54 -0.05 -0.69 3.02 -1.26 -3.08 115.26 110.91 2d2w n ASN 49 Ca -0.03 0.61 -0.13 0.00 -0.03 0.00 0.00 54.58 55.00 2d2w n ASN 49 Cb 0.10 -0.73 -0.07 0.00 -0.61 0.00 0.00 39.78 38.46 2d2w n ASN 49 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2d2w h SER 50 N 0.00 0.38 0.11 6.41 4.64 -1.54 -2.78 113.55 120.77 2d2w h SER 50 Ca 0.00 -0.49 0.02 0.00 -0.47 0.00 0.00 61.79 60.84 2d2w h SER 50 Cb 0.43 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 2d2w h SER 50 CO 0.00 0.80 -0.23 0.40 -0.87 0.00 0.00 176.83 176.93 2d2w h ILE 51 N -0.03 0.49 -0.18 0.95 5.03 -1.27 0.45 117.51 122.94 2d2w h ILE 51 Ca 0.02 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.81 2d2w h ILE 51 Cb 0.70 0.49 -0.07 0.00 -3.03 0.00 0.00 36.82 34.90 2d2w h ILE 51 CO 0.04 0.00 -0.37 -0.09 -0.68 0.00 0.00 178.15 177.04 2d2w h ARG 52 N -0.42 -0.40 0.00 2.37 2.43 -1.65 0.20 114.38 116.90 2d2w h ARG 52 Ca 0.03 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2d2w h ARG 52 Cb 0.45 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2d2w h ARG 52 CO -0.13 -0.27 0.00 1.25 -1.51 0.00 0.00 179.97 179.31 2d2w h HIS 53 N -0.42 0.00 -0.24 2.20 2.76 -1.21 -2.87 115.15 115.37 2d2w h HIS 53 Ca 0.10 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.07 2d2w h HIS 53 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.55 2d2w h HIS 53 CO -0.47 0.00 -0.63 -0.91 -1.30 0.00 0.00 177.93 174.62 2d2w h ASN 54 N 0.00 0.97 0.14 3.26 2.35 0.31 -2.82 115.58 119.78 2d2w h ASN 54 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2d2w h ASN 54 Cb 0.36 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2d2w h ASN 54 CO 0.00 1.36 0.00 0.18 -1.65 0.00 0.00 177.43 177.32 2d2w n LEU 55 N -3.98 0.00 0.05 1.61 4.77 -0.78 -2.05 117.00 116.62 2d2w n LEU 55 Ca -0.05 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2d2w n LEU 55 Cb 0.67 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 2d2w n LEU 55 CO 0.51 -0.08 -0.25 -1.28 -1.33 0.00 0.00 177.39 174.96 2d2w h SER 56 N 0.00 0.22 0.00 -1.43 0.87 -1.61 -3.39 113.55 108.21 2d2w h SER 56 Ca 0.00 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.13 2d2w h SER 56 Cb 0.07 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2d2w h SER 56 CO 0.00 1.25 -0.95 0.18 -0.53 0.00 0.00 176.83 176.78 2d2w n LEU 57 N -3.35 1.84 -4.45 2.23 4.32 -0.87 -4.92 117.00 111.80 2d2w n LEU 57 Ca -0.12 0.52 -0.47 0.00 -0.02 0.00 0.00 56.01 55.92 2d2w n LEU 57 Cb 1.02 -0.92 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 2d2w n LEU 57 CO 0.49 -0.07 0.14 0.59 -1.22 0.00 0.00 177.39 177.31 2d2w n ASN 58 N -4.51 -0.60 -0.06 -1.43 3.02 -0.90 -4.84 115.26 105.94 2d2w n ASN 58 Ca -0.21 1.14 0.12 0.00 -0.03 0.00 0.00 54.58 55.60 2d2w n ASN 58 Cb 0.49 -1.04 0.26 0.00 -0.61 0.00 0.00 39.78 38.89 2d2w n ASN 58 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2d2w n ARG 59 N 0.93 0.21 -1.55 3.52 1.85 -1.26 -4.06 116.66 116.29 2d2w n ARG 59 Ca 0.16 -0.12 -0.28 0.00 -1.00 0.00 0.00 57.85 56.60 2d2w n ARG 59 Cb 0.27 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.25 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2d2w n TYR 60 N -1.29 2.89 -3.46 2.89 4.11 -1.26 -4.85 117.16 116.19 2d2w n TYR 60 Ca 0.07 -2.58 -0.21 0.00 -0.00 0.00 0.00 57.90 55.18 2d2w n TYR 60 Cb 0.34 -0.94 -0.12 0.00 -0.00 0.00 0.00 39.34 38.62 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2d2w s PHE 61 N -3.68 -0.19 0.48 -3.48 0.08 -1.26 -2.87 117.98 107.06 2d2w s PHE 61 Ca 0.58 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 57.41 2d2w s PHE 61 Cb 0.46 -0.57 0.02 0.00 -0.57 0.00 0.00 43.02 42.36 2d2w s PHE 61 CO 0.01 -0.82 0.49 0.96 -0.10 0.00 0.00 175.22 175.76 2d2w s ILE 62 N 2.28 2.38 0.01 0.64 -4.36 0.11 -4.79 121.20 117.47 2d2w s ILE 62 Ca 0.09 -1.26 0.08 0.00 -0.26 0.00 0.00 60.65 59.30 2d2w s ILE 62 Cb -0.15 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.89 2d2w s ILE 62 CO -0.29 0.00 -0.26 -0.54 0.24 0.00 0.00 174.94 174.09 2d2w s LYS 63 N -4.30 1.97 -0.33 0.37 1.02 -1.26 -1.05 119.74 116.16 2d2w s LYS 63 Ca 0.49 -1.01 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 2d2w s LYS 63 Cb -0.04 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2d2w s LYS 63 CO 0.29 0.54 0.41 0.54 -0.92 0.00 0.00 175.35 176.21 2d2w s VAL 64 N -0.71 5.13 0.67 3.17 0.11 -0.92 -4.95 120.40 122.89 2d2w s VAL 64 Ca 0.11 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.28 2d2w s VAL 64 Cb -0.10 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 30.91 2d2w s VAL 64 CO 0.01 -0.08 1.05 -2.16 -3.33 0.00 0.00 175.10 170.60 2d2w s PRO 65 N 2.13 3.17 0.00 1.54 0.04 -1.26 -4.23 135.00 136.39 2d2w s PRO 65 Ca 0.14 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2d2w s PRO 65 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2d2w s PRO 65 CO 0.12 -0.89 0.00 -2.13 0.04 0.00 0.00 177.00 174.14 2d2w n ARG 66 N -2.96 0.00 -4.23 4.56 0.63 -1.26 -5.07 116.66 108.32 2d2w n ARG 66 Ca 0.07 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.67 2d2w n ARG 66 Cb 0.54 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.37 2d2w n ARG 66 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2d2w s SER 67 N 0.34 5.27 -1.20 6.15 0.01 -1.26 -5.03 113.70 117.97 2d2w s SER 67 Ca 0.00 0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 2d2w s SER 67 Cb 0.00 -1.42 0.14 0.00 0.21 0.00 0.00 66.02 64.95 2d2w s SER 67 CO 0.00 0.28 1.49 -1.58 0.41 0.00 0.00 173.24 173.84 2d2w s GLN 68 N -1.60 4.01 0.00 12.44 2.00 -1.26 -4.42 119.66 130.83 2d2w s GLN 68 Ca 0.20 -2.33 0.00 0.00 -2.00 0.00 0.00 55.36 51.24 2d2w s GLN 68 Cb -0.12 -5.18 0.00 0.00 0.80 0.00 0.00 33.01 28.51 2d2w s GLN 68 CO 0.11 -1.91 0.00 0.39 -0.50 0.00 0.00 175.29 173.38 2d2w n GLU 69 N 6.51 0.00 -3.76 1.67 1.02 -1.26 -5.07 120.64 119.76 2d2w n GLU 69 Ca 0.39 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.23 2d2w n GLU 69 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.72 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2d2w s GLU 70 N 0.00 1.09 -0.81 3.49 -1.05 -1.26 -5.06 118.70 115.10 2d2w s GLU 70 Ca 0.00 -1.64 -0.26 0.00 -0.15 0.00 0.00 54.97 52.92 2d2w s GLU 70 Cb 0.00 -2.30 0.03 0.00 -0.44 0.00 0.00 34.13 31.41 2d2w s GLU 70 CO 0.00 -1.07 1.40 -1.25 0.95 0.00 0.00 175.26 175.29 2d2w s PRO 71 N 0.89 3.22 0.00 -4.83 0.04 -1.26 -4.92 135.00 128.14 2d2w s PRO 71 Ca 0.14 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.79 2d2w s PRO 71 Cb -0.21 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2d2w s PRO 71 CO -0.10 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 175.08 2d2w n GLY 72 N 5.85 1.09 2.41 0.56 0.00 -1.26 -4.65 105.19 109.19 2d2w n GLY 72 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2d2w n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d2w n LYS 73 N 0.00 3.87 -3.40 1.61 4.81 -1.26 -4.69 118.16 119.10 2d2w n LYS 73 Ca 0.00 -2.83 -0.27 0.00 -0.87 0.00 0.00 58.31 54.35 2d2w n LYS 73 Cb 0.00 -2.55 -0.10 0.00 0.02 0.00 0.00 35.03 32.40 2d2w n LYS 73 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2d2w s GLY 74 N 0.89 0.94 -0.18 3.14 0.00 -1.26 -5.08 107.32 105.77 2d2w s GLY 74 Ca 0.59 -2.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 2d2w s GLY 74 CO -0.10 2.19 0.20 -0.56 0.00 0.00 0.00 173.10 174.83 2d2w s SER 75 N 0.51 1.38 -0.05 1.64 0.01 -1.26 -4.68 113.70 111.25 2d2w s SER 75 Ca 0.27 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.36 2d2w s SER 75 Cb -0.07 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.49 2d2w s SER 75 CO -0.11 -0.31 0.02 -0.36 0.41 0.00 0.00 173.24 172.88 2d2w s PHE 76 N 2.30 0.36 0.63 2.43 0.40 -1.26 -4.68 117.98 118.16 2d2w s PHE 76 Ca 0.05 0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 2d2w s PHE 76 Cb -0.15 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 2d2w s PHE 76 CO -0.11 -0.21 1.04 -1.58 0.70 0.00 0.00 175.22 175.07 2d2w s TRP 77 N 1.60 3.59 0.10 0.36 0.52 0.67 -2.17 118.94 123.62 2d2w s TRP 77 Ca -0.02 1.26 -0.25 0.00 0.02 0.00 0.00 56.10 57.11 2d2w s TRP 77 Cb -0.13 -2.76 0.07 0.00 -1.15 0.00 0.00 33.47 29.50 2d2w s TRP 77 CO -0.03 -0.75 0.64 0.50 0.02 0.00 0.00 176.95 177.34 2d2w s ARG 78 N -5.20 1.19 0.14 4.98 3.52 -0.22 0.14 118.95 123.50 2d2w s ARG 78 Ca 0.55 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.89 2d2w s ARG 78 Cb -0.11 0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 33.79 2d2w s ARG 78 CO 0.54 -0.49 0.26 0.96 -0.81 0.00 0.00 175.30 175.76 2d2w s ILE 79 N -3.11 5.26 0.66 4.11 -4.36 -1.17 0.06 121.20 122.65 2d2w s ILE 79 Ca -0.01 -0.67 -0.18 0.00 -0.26 0.00 0.00 60.65 59.53 2d2w s ILE 79 Cb -0.01 -3.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.01 2d2w s ILE 79 CO -0.08 -0.05 1.26 -0.67 0.24 0.00 0.00 174.94 175.64 2d2w n ASP 80 N -0.39 1.91 0.02 4.36 2.03 -1.14 -4.72 116.55 118.62 2d2w n ASP 80 Ca -0.07 0.81 -0.18 0.00 0.52 0.00 0.00 54.79 55.87 2d2w n ASP 80 Cb 0.54 -1.54 -0.12 0.00 -0.72 0.00 0.00 41.12 39.27 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2d2w h PRO 81 N 0.44 0.35 -0.46 -0.67 0.13 -1.97 -2.88 132.00 126.95 2d2w h PRO 81 Ca -0.51 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 2d2w h PRO 81 Cb 1.34 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2d2w h PRO 81 CO 0.52 1.14 0.00 0.00 -0.23 0.00 0.00 178.00 179.43 2d2w n ALA 82 N -2.61 2.62 0.10 -0.56 0.00 -1.26 -3.33 120.51 115.47 2d2w n ALA 82 Ca -0.12 -0.64 0.01 0.00 0.00 0.00 0.00 53.44 52.70 2d2w n ALA 82 Cb 0.71 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 0.40 0.12 0.07 0.00 7.64 -1.22 -4.57 113.62 116.06 2d2w n SER 83 Ca 0.11 -0.56 0.04 0.00 1.01 0.00 0.00 58.87 59.47 2d2w n SER 83 Cb 0.38 0.98 0.23 0.00 -1.01 0.00 0.00 64.21 64.79 2d2w n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2d2w n GLU 84 N -1.02 0.05 -0.03 1.43 0.00 -1.09 -0.66 120.64 119.33 2d2w n GLU 84 Ca 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 57.16 57.63 2d2w n GLU 84 Cb 0.03 -1.70 -0.14 0.00 0.00 0.00 0.00 31.44 29.63 2d2w n GLU 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d2w n ALA 85 N -1.60 1.50 -0.04 4.31 0.00 -1.26 -3.62 120.51 119.80 2d2w n ALA 85 Ca -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 2d2w n ALA 85 Cb 0.03 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 2d2w n ALA 85 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2d2w n LYS 86 N -3.02 0.66 0.23 0.00 2.85 -0.08 -3.46 118.16 115.34 2d2w n LYS 86 Ca -0.18 0.21 0.15 0.00 -1.05 0.00 0.00 58.31 57.44 2d2w n LYS 86 Cb 1.06 -1.71 0.46 0.00 -0.65 0.00 0.00 35.03 34.19 2d2w n LYS 86 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 2d2w h LEU 87 N 0.01 0.00 0.00 -5.58 8.10 -1.07 -2.88 115.31 113.88 2d2w h LEU 87 Ca -0.37 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.44 2d2w h LEU 87 Cb 2.07 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 42.26 2d2w h LEU 87 CO 0.06 0.00 -1.20 -0.37 -4.11 0.00 0.00 178.44 172.82 2d2w h VAL 88 N 0.00 0.77 -0.80 0.15 -1.51 -1.69 -3.19 116.25 109.98 2d2w h VAL 88 Ca 0.00 -2.31 0.19 0.00 -1.23 0.00 0.00 66.70 63.34 2d2w h VAL 88 Cb 0.70 2.27 -0.05 0.00 -2.13 0.00 0.00 31.29 32.08 2d2w h VAL 88 CO 0.00 0.44 0.54 -0.08 -1.23 0.00 0.00 177.57 177.24 2d2w h GLU 89 N 0.00 0.28 0.01 5.19 4.81 -1.53 0.24 114.58 123.58 2d2w h GLU 89 Ca -0.13 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.80 2d2w h GLU 89 Cb 1.62 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.89 2d2w h GLU 89 CO 0.06 0.19 -1.66 0.37 -0.73 0.00 0.00 179.01 177.24 2d2w h GLN 90 N 0.29 0.02 0.00 1.92 4.15 -1.71 -3.26 115.11 116.52 2d2w h GLN 90 Ca 0.40 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2d2w h GLN 90 Cb 1.12 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2d2w h GLN 90 CO -0.11 0.59 0.00 0.00 -1.93 0.00 0.00 178.83 177.38 2d2w n ALA 91 N -2.56 -0.20 -0.34 3.38 0.00 0.76 -2.28 120.51 119.27 2d2w n ALA 91 Ca -0.16 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.46 2d2w n ALA 91 Cb 1.04 0.11 0.39 0.00 0.00 0.00 0.00 19.45 21.00 2d2w n ALA 91 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d2w h PHE 92 N 0.00 1.00 -4.23 0.00 0.04 -1.58 -3.40 116.94 108.76 2d2w h PHE 92 Ca 0.00 0.04 -0.50 0.00 2.80 0.00 0.00 57.97 60.30 2d2w h PHE 92 Cb 0.00 -0.29 0.14 0.00 2.20 0.00 0.00 35.95 38.00 2d2w h PHE 92 CO -0.06 0.06 0.30 1.03 -0.60 0.00 0.00 178.31 179.04 2d2w s ARG 93 N -5.76 1.92 -0.20 1.51 3.00 -0.96 -5.02 118.95 113.44 2d2w s ARG 93 Ca -0.11 1.04 -0.04 0.00 0.00 0.00 0.00 55.73 56.63 2d2w s ARG 93 Cb 0.27 -1.87 -0.01 0.00 0.00 0.00 0.00 34.95 33.34 2d2w s ARG 93 CO 0.80 -1.84 -0.04 0.15 0.00 0.00 0.00 175.30 174.36 2d2w s LYS 94 N -4.92 3.46 -0.17 3.54 1.02 -1.26 -4.87 119.74 116.55 2d2w s LYS 94 Ca 0.62 -0.60 -0.09 0.00 0.02 0.00 0.00 55.97 55.92 2d2w s LYS 94 Cb -0.17 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2d2w s LYS 94 CO 0.56 -0.05 0.14 0.50 -0.92 0.00 0.00 175.35 175.59 2d2w s ARG 95 N 1.10 3.92 0.00 1.68 6.06 -1.26 -5.01 118.95 125.44 2d2w s ARG 95 Ca 0.01 -0.17 0.00 0.00 -2.50 0.00 0.00 55.73 53.08 2d2w s ARG 95 Cb -0.15 -3.33 0.00 0.00 0.06 0.00 0.00 34.95 31.53 2d2w s ARG 95 CO -0.00 0.48 0.00 2.89 -2.50 0.00 0.00 175.30 176.16 2d2w n ARG 96 N 2.94 0.00 -3.66 5.12 0.00 -1.26 -4.54 116.66 115.26 2d2w n ARG 96 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.53 2d2w n ARG 96 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.91 2d2w n ARG 96 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2d2w s GLN 97 N 0.12 0.77 -0.03 2.89 -2.07 -1.26 -5.03 119.66 115.05 2d2w s GLN 97 Ca 0.00 0.29 0.07 0.00 -1.82 0.00 0.00 55.36 53.90 2d2w s GLN 97 Cb 0.00 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.27 2d2w s GLN 97 CO 0.00 -0.19 -0.23 1.03 -1.32 0.00 0.00 175.29 174.58 2d2w s ARG 98 N -0.68 2.03 0.00 9.60 0.52 -1.26 -5.00 118.95 124.15 2d2w s ARG 98 Ca -0.08 -0.83 0.23 0.00 -0.52 0.00 0.00 55.73 54.54 2d2w s ARG 98 Cb -0.03 -1.88 0.27 0.00 0.52 0.00 0.00 34.95 33.84 2d2w s ARG 98 CO 0.05 0.45 1.30 0.41 0.02 0.00 0.00 175.30 177.52 2d2w n GLY 99 N 2.67 1.24 3.64 -3.53 0.00 -1.26 -4.91 105.19 103.04 2d2w n GLY 99 Ca -0.16 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 2d2w n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d2w s VAL 100 N -1.75 0.00 -2.00 1.61 0.11 -1.26 -5.39 120.40 111.72 2d2w s VAL 100 Ca 0.31 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.52 2d2w s VAL 100 Cb 0.21 -1.00 0.44 0.00 -1.53 0.00 0.00 36.38 34.50 2d2w s VAL 100 CO 0.30 0.00 1.34 -1.20 -3.33 0.00 0.00 175.10 172.21