#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 -3.10 4.31 7.64 -1.26 -4.90 113.62 116.30 2d2w n SER 2 Ca 0.00 -1.69 -0.21 0.00 1.01 0.00 0.00 58.87 57.98 2d2w n SER 2 Cb 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2d2w n SER 2 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2d2w n LYS 3 N 0.00 1.75 0.14 1.43 0.00 -1.26 -4.91 118.16 115.31 2d2w n LYS 3 Ca 0.00 -3.89 -0.01 0.00 -0.00 0.00 0.00 58.31 54.41 2d2w n LYS 3 Cb 0.64 -1.89 0.15 0.00 -0.00 0.00 0.00 35.03 33.93 2d2w n LYS 3 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2d2w h PRO 4 N 3.00 0.00 0.00 -1.58 0.13 -2.01 -3.40 132.00 128.14 2d2w h PRO 4 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2d2w h PRO 4 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2d2w h PRO 4 CO 0.61 0.62 0.00 -0.35 -0.23 0.00 0.00 178.00 178.65 2d2w n PRO 5 N -3.66 0.00 -2.79 1.56 -0.04 -1.26 -4.60 135.00 124.20 2d2w n PRO 5 Ca -0.01 0.25 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 2d2w n PRO 5 Cb 0.65 -0.94 -0.04 0.00 -0.04 0.00 0.00 33.50 33.13 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 -1.06 2.65 0.80 0.54 1.51 -1.26 -4.67 117.35 115.86 2d2w s TYR 6 Ca 0.00 -0.23 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 2d2w s TYR 6 Cb 0.00 -4.27 0.20 0.00 -0.11 0.00 0.00 41.96 37.78 2d2w s TYR 6 CO 0.00 -1.60 0.45 0.43 -1.11 0.00 0.00 175.55 173.72 2d2w n SER 7 N 7.90 -3.03 -3.73 2.29 7.64 -1.26 -4.69 113.62 118.74 2d2w n SER 7 Ca -0.00 -0.45 -0.41 0.00 1.01 0.00 0.00 58.87 59.01 2d2w n SER 7 Cb 0.47 -0.55 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 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 -4.42 2.63 0.00 1.43 4.02 -1.26 -3.17 117.16 116.39 2d2w n TYR 8 Ca 0.07 -2.56 0.00 0.00 -0.01 0.00 0.00 57.90 55.40 2d2w n TYR 8 Cb 0.31 -1.21 0.00 0.00 -0.02 0.00 0.00 39.34 38.42 2d2w n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2d2w n ALA 9 N 0.27 0.00 0.02 -0.72 0.00 -1.26 -4.89 120.51 113.93 2d2w n ALA 9 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 2d2w n ALA 9 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 2d2w n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2d2w n GLN 10 N -0.75 0.62 -0.13 0.00 0.00 -1.26 -3.33 117.38 112.54 2d2w n GLN 10 Ca 0.00 0.20 0.18 0.00 -0.00 0.00 0.00 57.00 57.39 2d2w n GLN 10 Cb 0.00 -1.79 0.58 0.00 0.00 0.00 0.00 30.24 29.03 2d2w n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2d2w h LEU 11 N 0.00 0.24 0.07 1.69 5.85 -1.82 -1.39 115.31 119.94 2d2w h LEU 11 Ca -0.18 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.38 2d2w h LEU 11 Cb 1.61 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 2d2w h LEU 11 CO 0.05 0.12 -0.90 0.40 -0.34 0.00 0.00 178.44 177.77 2d2w h ILE 12 N 0.26 1.30 -0.31 4.05 2.04 -1.85 -3.17 117.51 119.82 2d2w h ILE 12 Ca 0.35 -2.37 0.07 0.00 1.00 0.00 0.00 64.86 63.91 2d2w h ILE 12 Cb 1.01 2.89 -0.08 0.00 -0.74 0.00 0.00 36.82 39.89 2d2w h ILE 12 CO -0.08 0.60 -0.30 0.58 0.00 0.00 0.00 178.15 178.96 2d2w h VAL 13 N -0.64 0.29 0.00 1.67 2.07 -1.29 0.43 116.25 118.78 2d2w h VAL 13 Ca -0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2d2w h VAL 13 Cb 1.45 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2d2w h VAL 13 CO 0.01 0.00 -0.10 -0.61 0.02 0.00 0.00 177.57 176.89 2d2w h GLN 14 N -0.27 0.00 -0.10 1.57 4.15 -1.51 0.71 115.11 119.66 2d2w h GLN 14 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2d2w h GLN 14 Cb 0.52 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 2d2w h GLN 14 CO -0.46 0.10 -0.07 0.00 -1.93 0.00 0.00 178.83 176.46 2d2w h ALA 15 N 1.90 0.14 0.00 3.38 0.00 -0.22 -2.04 119.26 122.43 2d2w h ALA 15 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2d2w h ALA 15 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2d2w h ALA 15 CO 0.01 -0.06 -0.55 -0.84 0.00 0.00 0.00 179.25 177.81 2d2w h ILE 16 N -0.17 0.38 -0.56 0.00 3.07 -0.78 -3.23 117.51 116.22 2d2w h ILE 16 Ca 0.02 -1.40 0.01 0.00 1.55 0.00 0.00 64.86 65.04 2d2w h ILE 16 Cb 0.55 0.84 -0.03 0.00 -0.27 0.00 0.00 36.82 37.91 2d2w h ILE 16 CO 0.02 0.13 0.37 0.28 -1.05 0.00 0.00 178.15 177.90 2d2w h SER 17 N -1.00 0.62 0.37 2.16 0.02 -1.02 -1.37 113.55 113.33 2d2w h SER 17 Ca -0.08 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2d2w h SER 17 Cb 0.65 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2d2w h SER 17 CO -0.05 0.45 -0.08 -0.24 -1.14 0.00 0.00 176.83 175.76 2d2w n SER 18 N -4.46 0.39 -4.91 3.07 2.88 -0.76 -4.83 113.62 104.99 2d2w n SER 18 Ca 0.05 -0.54 -0.29 0.00 -1.33 0.00 0.00 58.87 56.77 2d2w n SER 18 Cb 0.06 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.38 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 -2.46 3.78 0.24 -1.46 0.00 -0.52 -4.97 121.76 116.37 2d2w s ALA 19 Ca 0.30 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2d2w s ALA 19 Cb 0.20 -2.10 0.32 0.00 0.00 0.00 0.00 23.12 21.54 2d2w s ALA 19 CO 0.47 0.46 1.60 0.37 0.00 0.00 0.00 175.76 178.65 2d2w h GLN 20 N 2.16 -0.01 -5.55 0.00 4.15 -1.88 -3.32 115.11 110.66 2d2w h GLN 20 Ca -0.47 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.35 2d2w h GLN 20 Cb 1.18 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.77 2d2w h GLN 20 CO 0.69 -0.01 0.02 -0.51 -1.93 0.00 0.00 178.83 177.09 2d2w s ASP 21 N -5.24 6.58 0.00 -0.69 1.11 -1.26 -4.92 116.67 112.25 2d2w s ASP 21 Ca -0.15 0.70 0.11 0.00 0.18 0.00 0.00 52.55 53.40 2d2w s ASP 21 Cb 0.22 -2.31 0.62 0.00 1.07 0.00 0.00 42.92 42.52 2d2w s ASP 21 CO 0.75 -0.23 1.21 -2.11 1.18 0.00 0.00 175.17 175.97 2d2w n ARG 22 N 5.01 0.24 -4.83 8.23 1.85 -1.24 -4.57 116.66 121.34 2d2w n ARG 22 Ca -0.03 0.11 -0.33 0.00 -1.00 0.00 0.00 57.85 56.60 2d2w n ARG 22 Cb 0.50 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.26 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2d2w s GLN 23 N -2.36 3.31 0.19 2.89 -2.07 -1.26 -3.17 119.66 117.19 2d2w s GLN 23 Ca 0.13 -0.71 0.10 0.00 -1.82 0.00 0.00 55.36 53.07 2d2w s GLN 23 Cb 0.08 -2.58 -0.04 0.00 -1.09 0.00 0.00 33.01 29.37 2d2w s GLN 23 CO 0.16 0.23 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.64 2d2w s LEU 24 N 0.29 2.45 0.90 2.60 1.43 0.11 -4.95 118.68 121.51 2d2w s LEU 24 Ca -0.11 -0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 2d2w s LEU 24 Cb -0.16 -1.04 0.15 0.00 0.03 0.00 0.00 46.19 45.17 2d2w s LEU 24 CO 0.06 0.06 1.27 0.42 0.23 0.00 0.00 176.35 178.38 2d2w s THR 25 N -1.90 2.00 0.22 5.49 -4.23 -1.26 -0.53 115.64 115.42 2d2w s THR 25 Ca 0.20 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 2d2w s THR 25 Cb -0.07 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.96 2d2w s THR 25 CO 0.09 0.00 1.88 0.25 -0.54 0.00 0.00 174.62 176.30 2d2w h LEU 26 N -1.42 0.89 -3.78 4.79 6.46 -1.91 -1.65 115.31 118.70 2d2w h LEU 26 Ca -0.45 -0.01 -0.31 0.00 -0.12 0.00 0.00 57.88 56.99 2d2w h LEU 26 Cb 1.27 -0.21 -0.18 0.00 -0.73 0.00 0.00 40.66 40.81 2d2w h LEU 26 CO 0.49 0.63 0.39 -1.20 -0.62 0.00 0.00 178.44 178.13 2d2w n SER 27 N -4.56 4.48 -0.12 1.25 7.64 -1.26 -4.24 113.62 116.81 2d2w n SER 27 Ca 0.09 -3.31 -0.18 0.00 1.01 0.00 0.00 58.87 56.48 2d2w n SER 27 Cb 0.05 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.37 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 -0.44 -0.34 0.37 0.23 0.00 -0.62 -4.20 105.19 100.18 2d2w n GLY 28 Ca 0.46 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.05 0.86 0.23 -0.61 2.10 -1.73 -0.80 117.51 117.51 2d2w h ILE 29 Ca -0.55 -0.16 -0.01 0.00 1.08 0.00 0.00 64.86 65.22 2d2w h ILE 29 Cb 1.84 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 2d2w h ILE 29 CO -0.10 0.08 -0.11 1.88 -1.08 0.00 0.00 178.15 178.83 2d2w h TYR 30 N 0.47 -0.28 0.00 2.19 0.05 -1.81 -2.53 116.97 115.05 2d2w h TYR 30 Ca 0.33 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.11 2d2w h TYR 30 Cb 0.67 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.50 2d2w h TYR 30 CO -0.00 0.08 0.00 0.00 -1.05 0.00 0.00 178.16 177.18 2d2w n ALA 31 N -2.46 1.27 0.00 3.88 0.00 -0.88 -1.38 120.51 120.95 2d2w n ALA 31 Ca -0.09 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2d2w n ALA 31 Cb 0.25 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 2d2w n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2d2w h HIS 32 N 0.00 -0.02 -0.61 0.00 -0.00 -0.76 -3.21 115.15 110.55 2d2w h HIS 32 Ca 0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2d2w h HIS 32 Cb 0.13 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 2d2w h HIS 32 CO 0.00 -0.01 0.14 -0.84 -0.00 0.00 0.00 177.93 177.22 2d2w h ILE 33 N -0.11 1.25 -0.04 6.26 -0.00 -1.47 -2.05 117.51 121.34 2d2w h ILE 33 Ca -0.00 -0.91 0.01 0.00 -0.00 0.00 0.00 64.86 63.96 2d2w h ILE 33 Cb 0.01 0.62 -0.00 0.00 -0.00 0.00 0.00 36.82 37.45 2d2w h ILE 33 CO 0.00 0.34 0.11 0.71 -0.00 0.00 0.00 178.15 179.32 2d2w h THR 34 N 0.92 0.16 -0.51 0.16 1.35 -1.40 0.17 112.91 113.77 2d2w h THR 34 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.04 2d2w h THR 34 Cb 0.34 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2d2w h THR 34 CO 0.00 0.00 0.27 0.50 -0.25 0.00 0.00 175.52 176.04 2d2w h LYS 35 N 0.00 0.71 -0.21 4.72 3.64 -1.36 -2.98 116.57 121.09 2d2w h LYS 35 Ca 0.02 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2d2w h LYS 35 Cb 0.24 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2d2w h LYS 35 CO -0.00 0.57 0.00 -2.39 -2.27 0.00 0.00 179.45 175.36 2d2w n HIS 36 N -4.64 0.26 -3.99 1.91 1.44 -0.61 -4.88 115.22 104.72 2d2w n HIS 36 Ca 0.02 -0.20 -0.34 0.00 -2.01 0.00 0.00 57.72 55.19 2d2w n HIS 36 Cb 0.09 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 2d2w n HIS 36 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2d2w s TYR 37 N -1.19 3.07 -0.09 -1.40 1.51 0.51 -4.97 117.35 114.80 2d2w s TYR 37 Ca 0.24 -1.68 0.16 0.00 -1.01 0.00 0.00 57.07 54.78 2d2w s TYR 37 Cb 0.15 -2.03 0.20 0.00 -0.11 0.00 0.00 41.96 40.16 2d2w s TYR 37 CO 0.21 -0.76 1.50 -1.00 -1.11 0.00 0.00 175.55 174.39 2d2w h PRO 38 N 7.97 0.00 -0.03 -1.71 0.13 -1.88 -3.22 132.00 133.27 2d2w h PRO 38 Ca -0.32 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2d2w h PRO 38 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2d2w h PRO 38 CO 0.56 0.48 -0.35 -0.92 -0.23 0.00 0.00 178.00 177.55 2d2w h TYR 39 N 0.00 0.06 -0.01 1.56 3.20 -1.94 -2.35 116.97 117.49 2d2w h TYR 39 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2d2w h TYR 39 Cb 1.29 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.54 2d2w h TYR 39 CO 0.00 0.39 -0.25 0.66 -1.64 0.00 0.00 178.16 177.32 2d2w n TYR 40 N -4.12 0.00 0.40 -3.82 4.01 -1.22 -2.21 117.16 110.21 2d2w n TYR 40 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 2d2w n TYR 40 Cb 0.39 -0.12 0.48 0.00 -0.31 0.00 0.00 39.34 39.79 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 -0.63 0.18 -2.19 -0.72 0.63 -0.88 -4.07 116.66 108.98 2d2w n ARG 41 Ca 0.12 0.41 -0.02 0.00 -0.92 0.00 0.00 57.85 57.45 2d2w n ARG 41 Cb 0.35 -1.85 0.04 0.00 0.45 0.00 0.00 32.46 31.45 2d2w n ARG 41 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2d2w n THR 42 N -2.19 0.00 0.00 5.15 -1.04 -1.25 -5.08 114.28 109.87 2d2w n THR 42 Ca 0.02 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2d2w n THR 42 Cb 0.22 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d2w n ALA 43 N -0.59 0.00 -3.16 2.41 0.00 -0.94 -5.07 120.51 113.16 2d2w n ALA 43 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2d2w n ALA 43 Cb 0.67 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.00 -0.25 -0.35 0.00 1.11 -1.26 -5.04 116.67 109.88 2d2w s ASP 44 Ca 0.00 0.02 -0.05 0.00 0.18 0.00 0.00 52.55 52.70 2d2w s ASP 44 Cb 0.00 0.39 -0.05 0.00 1.07 0.00 0.00 42.92 44.33 2d2w s ASP 44 CO 0.00 -0.60 3.05 0.29 1.18 0.00 0.00 175.17 179.09 2d2w n LYS 45 N 0.73 2.37 -0.09 8.23 5.02 -1.26 -4.29 118.16 128.87 2d2w n LYS 45 Ca -0.19 -1.94 -0.19 0.00 -2.02 0.00 0.00 58.31 53.97 2d2w n LYS 45 Cb 0.59 -2.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 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 1.48 -0.37 0.00 0.72 0.00 -1.26 -4.42 105.19 101.35 2d2w n GLY 46 Ca 0.48 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.04 0.00 0.07 1.61 4.27 -1.26 -2.96 117.44 115.13 2d2w n TRP 47 Ca -0.34 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.24 2d2w n TRP 47 Cb 0.69 -0.23 -0.01 0.00 -1.36 0.00 0.00 31.31 30.39 2d2w n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2d2w h GLN 48 N 0.00 -0.18 0.00 -2.67 1.08 -1.85 -1.58 115.11 109.92 2d2w h GLN 48 Ca 0.00 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 2d2w h GLN 48 Cb 0.07 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2d2w h GLN 48 CO 0.00 -0.12 -0.27 -0.91 -0.95 0.00 0.00 178.83 176.59 2d2w h ASN 49 N -0.18 0.00 -0.84 1.46 4.21 -1.85 -3.08 115.58 115.30 2d2w h ASN 49 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2d2w h ASN 49 Cb 0.14 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 2d2w h ASN 49 CO 0.03 0.27 0.53 -1.28 -1.29 0.00 0.00 177.43 175.69 2d2w h SER 50 N 0.00 0.98 0.05 5.81 0.87 -1.44 -1.91 113.55 117.91 2d2w h SER 50 Ca -0.00 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2d2w h SER 50 Cb 0.81 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2d2w h SER 50 CO 0.03 0.73 -0.03 0.40 -0.53 0.00 0.00 176.83 177.44 2d2w h ILE 51 N 1.14 0.98 -0.06 2.23 5.03 -1.19 0.36 117.51 125.99 2d2w h ILE 51 Ca 0.30 -0.12 0.03 0.00 -0.12 0.00 0.00 64.86 64.95 2d2w h ILE 51 Cb -0.10 1.06 -0.04 0.00 -3.03 0.00 0.00 36.82 34.72 2d2w h ILE 51 CO -0.06 0.03 -0.14 -0.09 -0.68 0.00 0.00 178.15 177.21 2d2w h ARG 52 N -0.13 -0.19 0.00 2.37 2.43 -1.59 0.04 114.38 117.32 2d2w h ARG 52 Ca -0.01 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2d2w h ARG 52 Cb 0.11 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2d2w h ARG 52 CO 0.01 -0.13 -0.02 1.25 -1.51 0.00 0.00 179.97 179.58 2d2w h HIS 53 N -0.20 0.00 -0.18 2.20 2.76 -1.21 -2.83 115.15 115.70 2d2w h HIS 53 Ca 0.07 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.13 2d2w h HIS 53 Cb 0.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.26 2d2w h HIS 53 CO -0.23 0.02 -0.33 -0.91 -1.30 0.00 0.00 177.93 175.18 2d2w h ASN 54 N 0.00 0.60 0.27 3.26 2.35 0.16 -2.71 115.58 119.51 2d2w h ASN 54 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2d2w h ASN 54 Cb 0.40 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2d2w h ASN 54 CO 0.00 1.03 0.00 0.18 -1.65 0.00 0.00 177.43 176.99 2d2w n LEU 55 N -4.33 0.00 0.06 1.61 4.77 -0.63 -1.82 117.00 116.66 2d2w n LEU 55 Ca -0.06 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 2d2w n LEU 55 Cb 0.49 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 2d2w n LEU 55 CO 0.44 -0.19 -0.18 -1.28 -1.33 0.00 0.00 177.39 174.85 2d2w h SER 56 N 0.00 0.25 0.32 -1.43 0.87 -1.48 -3.35 113.55 108.73 2d2w h SER 56 Ca 0.00 -0.32 -0.33 0.00 -1.23 0.00 0.00 61.79 59.91 2d2w h SER 56 Cb 0.14 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2d2w h SER 56 CO 0.00 1.26 -1.82 -0.07 -0.53 0.00 0.00 176.83 175.67 2d2w h LEU 57 N 0.04 0.24 -9.96 2.23 4.07 -1.45 -3.46 115.31 107.02 2d2w h LEU 57 Ca -0.17 -0.51 -0.53 0.00 0.08 0.00 0.00 57.88 56.75 2d2w h LEU 57 Cb 1.94 -0.08 0.09 0.00 1.08 0.00 0.00 40.66 43.70 2d2w h LEU 57 CO 0.15 1.46 0.64 0.20 -1.08 0.00 0.00 178.44 179.81 2d2w s ASN 58 N -6.64 6.21 0.07 -0.43 0.01 -0.76 -4.93 114.94 108.47 2d2w s ASN 58 Ca -0.13 2.73 0.18 0.00 -0.71 0.00 0.00 52.86 54.92 2d2w s ASN 58 Cb 0.07 -2.64 -0.13 0.00 0.41 0.00 0.00 41.25 38.96 2d2w s ASN 58 CO 0.80 -0.93 0.81 -1.14 -1.51 0.00 0.00 177.10 175.14 2d2w n ARG 59 N 0.06 0.62 -0.20 -0.60 0.63 -1.26 -4.03 116.66 111.88 2d2w n ARG 59 Ca 0.04 0.18 0.02 0.00 -0.92 0.00 0.00 57.85 57.17 2d2w n ARG 59 Cb 0.43 -1.79 0.10 0.00 0.45 0.00 0.00 32.46 31.65 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 -2.82 0.47 -3.97 -0.14 0.18 -1.26 -4.67 117.16 104.96 2d2w n TYR 60 Ca -0.09 -0.17 -0.31 0.00 1.88 0.00 0.00 57.90 59.21 2d2w n TYR 60 Cb 0.79 -0.16 -0.15 0.00 -0.38 0.00 0.00 39.34 39.44 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 -1.52 2.60 0.68 -3.48 0.08 -1.26 -2.21 117.98 112.86 2d2w s PHE 61 Ca 0.14 -1.87 -0.05 0.00 0.12 0.00 0.00 56.93 55.26 2d2w s PHE 61 Cb 0.10 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 2d2w s PHE 61 CO 0.05 -0.80 0.97 0.96 -0.10 0.00 0.00 175.22 176.31 2d2w s ILE 62 N 1.33 2.38 -0.01 0.64 -4.36 0.10 -4.88 121.20 116.40 2d2w s ILE 62 Ca -0.06 -0.33 -0.00 0.00 -0.26 0.00 0.00 60.65 60.00 2d2w s ILE 62 Cb -0.19 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.51 2d2w s ILE 62 CO -0.06 -0.02 0.01 -0.75 0.24 0.00 0.00 174.94 174.37 2d2w s LYS 63 N -5.16 0.01 0.40 0.37 2.20 -1.26 -2.74 119.74 113.57 2d2w s LYS 63 Ca 0.59 0.02 -0.23 0.00 -0.36 0.00 0.00 55.97 56.00 2d2w s LYS 63 Cb -0.11 0.00 -0.09 0.00 -1.51 0.00 0.00 37.83 36.12 2d2w s LYS 63 CO 0.44 -0.01 1.01 0.54 -0.36 0.00 0.00 175.35 176.97 2d2w s VAL 64 N 0.04 3.97 0.66 4.02 0.11 -1.02 -5.01 120.40 123.16 2d2w s VAL 64 Ca -0.00 1.42 -0.12 0.00 -2.93 0.00 0.00 61.98 60.35 2d2w s VAL 64 Cb -0.00 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 2d2w s VAL 64 CO -0.00 -0.07 1.05 -2.16 -3.33 0.00 0.00 175.10 170.59 2d2w s PRO 65 N -2.66 3.11 0.00 1.54 0.04 -1.26 -4.57 135.00 131.19 2d2w s PRO 65 Ca 0.59 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2d2w s PRO 65 Cb -0.18 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2d2w s PRO 65 CO 0.23 -0.97 0.00 -2.13 0.04 0.00 0.00 177.00 174.17 2d2w n ARG 66 N -2.82 2.06 -0.77 4.56 0.63 -1.26 -4.51 116.66 114.55 2d2w n ARG 66 Ca 0.08 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.85 2d2w n ARG 66 Cb 0.53 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.54 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 0.00 3.97 -0.79 6.15 2.88 -1.26 -3.84 113.62 120.73 2d2w n SER 67 Ca 0.00 -3.00 0.09 0.00 -1.33 0.00 0.00 58.87 54.64 2d2w n SER 67 Cb 0.00 -0.75 0.27 0.00 -0.75 0.00 0.00 64.21 62.97 2d2w n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d2w n GLN 68 N -0.39 2.01 -4.64 -1.46 6.02 -1.26 -4.89 117.38 112.76 2d2w n GLN 68 Ca 0.36 -1.55 -0.29 0.00 -0.01 0.00 0.00 57.00 55.51 2d2w n GLN 68 Cb 1.10 -1.40 -0.10 0.00 1.02 0.00 0.00 30.24 30.86 2d2w n GLN 68 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2d2w s GLU 69 N -1.55 2.00 -0.12 -1.09 2.56 -1.26 -5.06 118.70 114.18 2d2w s GLU 69 Ca 0.33 -2.17 -0.28 0.00 0.00 0.00 0.00 54.97 52.85 2d2w s GLU 69 Cb 0.18 -1.59 -0.27 0.00 2.00 0.00 0.00 34.13 34.45 2d2w s GLU 69 CO 0.25 -0.12 0.81 0.93 -0.56 0.00 0.00 175.26 176.57 2d2w h GLU 70 N 1.69 0.05 0.00 4.30 3.07 -1.95 -3.34 114.58 118.40 2d2w h GLU 70 Ca -0.44 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.27 2d2w h GLU 70 Cb 1.26 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.19 2d2w h GLU 70 CO 0.79 1.02 -0.34 -1.00 -1.40 0.00 0.00 179.01 178.08 2d2w h PRO 71 N -0.88 0.00 -7.17 2.33 0.13 -1.98 -3.45 132.00 120.98 2d2w h PRO 71 Ca -0.02 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.72 2d2w h PRO 71 Cb 1.08 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.42 2d2w h PRO 71 CO 0.02 0.34 -0.03 0.20 -0.23 0.00 0.00 178.00 178.30 2d2w s GLY 72 N -4.37 1.47 0.00 1.56 0.00 -1.25 -4.98 107.32 99.75 2d2w s GLY 72 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2d2w s GLY 72 CO 0.71 0.05 0.00 1.17 0.00 0.00 0.00 173.10 175.03 2d2w n LYS 73 N -5.39 0.00 -0.34 2.90 4.81 -1.25 -4.88 118.16 114.02 2d2w n LYS 73 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2d2w n LYS 73 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 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 -1.43 6.88 3.84 3.14 0.00 -1.26 -4.01 105.19 112.34 2d2w n GLY 74 Ca 0.00 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 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 0.54 5.58 -0.30 1.61 0.01 -1.26 -4.60 113.70 115.27 2d2w s SER 75 Ca 0.00 -0.24 -0.14 0.00 1.31 0.00 0.00 55.95 56.88 2d2w s SER 75 Cb 0.00 -1.41 0.16 0.00 0.21 0.00 0.00 66.02 64.99 2d2w s SER 75 CO 0.00 -0.07 0.93 0.12 0.41 0.00 0.00 173.24 174.63 2d2w s PHE 76 N -2.14 -0.79 0.30 2.43 5.36 -1.26 -4.89 117.98 117.00 2d2w s PHE 76 Ca 0.34 1.32 -0.18 0.00 -0.96 0.00 0.00 56.93 57.44 2d2w s PHE 76 Cb -0.08 0.45 -0.09 0.00 -0.34 0.00 0.00 43.02 42.97 2d2w s PHE 76 CO 0.25 -0.40 0.77 -1.58 -1.46 0.00 0.00 175.22 172.81 2d2w s TRP 77 N 2.55 3.47 -0.02 10.12 0.52 0.31 -2.44 118.94 133.46 2d2w s TRP 77 Ca -0.02 1.36 -0.29 0.00 0.02 0.00 0.00 56.10 57.17 2d2w s TRP 77 Cb -0.07 -2.63 0.08 0.00 -1.15 0.00 0.00 33.47 29.70 2d2w s TRP 77 CO -0.17 0.15 0.70 -0.98 0.02 0.00 0.00 176.95 176.67 2d2w s ARG 78 N -2.63 1.05 -0.14 4.98 3.03 -1.11 0.04 118.95 124.17 2d2w s ARG 78 Ca 0.51 0.08 -0.06 0.00 2.03 0.00 0.00 55.73 58.29 2d2w s ARG 78 Cb -0.13 0.49 -0.04 0.00 -1.03 0.00 0.00 34.95 34.25 2d2w s ARG 78 CO 0.18 -0.36 0.05 -1.50 -1.13 0.00 0.00 175.30 172.54 2d2w s ILE 79 N -1.79 4.69 0.50 4.99 2.07 -1.19 0.01 121.20 130.48 2d2w s ILE 79 Ca -0.07 -0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 58.85 2d2w s ILE 79 Cb -0.00 -3.06 -0.07 0.00 0.13 0.00 0.00 42.46 39.46 2d2w s ILE 79 CO 0.04 0.53 1.30 -0.67 -1.91 0.00 0.00 174.94 174.22 2d2w n ASP 80 N 2.93 2.53 -0.02 4.50 2.03 -0.94 -4.85 116.55 122.73 2d2w n ASP 80 Ca -0.18 1.02 -0.16 0.00 0.52 0.00 0.00 54.79 56.00 2d2w n ASP 80 Cb 0.53 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.29 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 1.68 0.33 -0.47 -0.67 0.13 -1.95 -2.98 132.00 128.06 2d2w h PRO 81 Ca -0.50 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2d2w h PRO 81 Cb 1.30 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2d2w h PRO 81 CO 0.58 0.99 0.00 0.00 -0.23 0.00 0.00 178.00 179.34 2d2w n ALA 82 N -2.55 2.63 -0.10 -0.56 0.00 -1.26 -4.12 120.51 114.55 2d2w n ALA 82 Ca -0.09 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 2d2w n ALA 82 Cb 0.57 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2d2w n ALA 82 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d2w h SER 83 N 2.07 0.44 -0.12 0.00 0.02 -1.88 -3.44 113.55 110.65 2d2w h SER 83 Ca 0.00 -0.22 0.17 0.00 -0.84 0.00 0.00 61.79 60.90 2d2w h SER 83 Cb 0.67 -0.12 -0.17 0.00 0.14 0.00 0.00 62.40 62.92 2d2w h SER 83 CO 0.06 0.54 -0.05 -0.70 -1.14 0.00 0.00 176.83 175.54 2d2w s GLU 84 N -5.36 0.09 0.63 3.45 2.12 -1.26 -4.90 118.70 113.47 2d2w s GLU 84 Ca -0.13 -0.01 0.21 0.00 0.36 0.00 0.00 54.97 55.39 2d2w s GLU 84 Cb 0.09 0.02 1.12 0.00 0.26 0.00 0.00 34.13 35.61 2d2w s GLU 84 CO 0.74 -0.14 1.62 0.00 -0.54 0.00 0.00 175.26 176.94 2d2w h ALA 85 N 5.59 1.49 0.17 6.30 0.00 -1.86 1.06 119.26 132.01 2d2w h ALA 85 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 2d2w h ALA 85 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2d2w h ALA 85 CO -0.10 -0.49 -1.69 -0.22 0.00 0.00 0.00 179.25 176.75 2d2w h LYS 86 N 0.00 0.36 -0.50 0.00 3.11 -1.97 -2.60 116.57 114.97 2d2w h LYS 86 Ca 0.00 -0.62 0.12 0.00 -2.81 0.00 0.00 60.65 57.34 2d2w h LYS 86 Cb 1.00 0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 32.44 2d2w h LYS 86 CO 0.00 1.30 0.35 1.37 -2.81 0.00 0.00 179.45 179.66 2d2w h LEU 87 N 0.02 0.12 0.01 5.20 8.10 0.80 0.22 115.31 129.78 2d2w h LEU 87 Ca -0.34 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.42 2d2w h LEU 87 Cb 2.03 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 42.19 2d2w h LEU 87 CO 0.15 0.07 -1.23 -0.37 -4.11 0.00 0.00 178.44 172.96 2d2w h VAL 88 N 0.14 1.44 -0.35 0.15 -1.51 -1.44 -3.21 116.25 111.47 2d2w h VAL 88 Ca 0.24 -3.19 0.05 0.00 -1.23 0.00 0.00 66.70 62.57 2d2w h VAL 88 Cb 0.76 2.72 -0.04 0.00 -2.13 0.00 0.00 31.29 32.60 2d2w h VAL 88 CO -0.03 0.83 0.07 -0.08 -1.23 0.00 0.00 177.57 177.13 2d2w h GLU 89 N 0.00 0.19 0.00 5.19 4.81 -0.16 0.48 114.58 125.10 2d2w h GLU 89 Ca -0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2d2w h GLU 89 Cb 1.85 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.19 2d2w h GLU 89 CO 0.12 0.13 -0.08 1.96 -0.73 0.00 0.00 179.01 180.41 2d2w h GLN 90 N 0.20 0.00 -0.18 1.92 1.08 -1.55 -2.49 115.11 114.09 2d2w h GLN 90 Ca 0.16 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2d2w h GLN 90 Cb 0.18 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2d2w h GLN 90 CO -0.21 0.08 -0.07 0.00 -0.95 0.00 0.00 178.83 177.68 2d2w h ALA 91 N 1.92 0.25 -0.59 3.87 0.00 -0.09 -3.17 119.26 121.44 2d2w h ALA 91 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2d2w h ALA 91 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2d2w h ALA 91 CO 0.01 0.05 0.34 0.74 0.00 0.00 0.00 179.25 180.39 2d2w h PHE 92 N 0.06 0.64 -4.05 0.00 0.04 -0.76 -3.42 116.94 109.45 2d2w h PHE 92 Ca 0.04 0.02 -0.54 0.00 2.80 0.00 0.00 57.97 60.29 2d2w h PHE 92 Cb 0.53 -0.20 -0.24 0.00 2.20 0.00 0.00 35.95 38.24 2d2w h PHE 92 CO 0.06 0.34 -0.83 -0.98 -0.60 0.00 0.00 178.31 176.31 2d2w s ARG 93 N -6.12 1.19 0.10 1.51 1.70 -1.18 -5.05 118.95 111.10 2d2w s ARG 93 Ca -0.13 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 2d2w s ARG 93 Cb 0.14 -1.34 0.00 0.00 -0.57 0.00 0.00 34.95 33.18 2d2w s ARG 93 CO 0.75 0.33 0.00 1.17 -1.08 0.00 0.00 175.30 176.47 2d2w n LYS 94 N 1.55 0.00 0.00 3.89 0.00 -1.26 -4.56 118.16 117.78 2d2w n LYS 94 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.13 2d2w n LYS 94 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.45 2d2w n LYS 94 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2d2w n ARG 95 N -2.98 0.00 -2.73 1.64 1.85 -1.26 -5.07 116.66 108.11 2d2w n ARG 95 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2d2w n ARG 95 Cb 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.48 2d2w n ARG 95 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2d2w n ARG 96 N -0.01 0.74 -4.30 2.89 5.12 -1.26 -4.86 116.66 114.98 2d2w n ARG 96 Ca 0.00 -1.60 -0.21 0.00 -1.93 0.00 0.00 57.85 54.11 2d2w n ARG 96 Cb 0.00 -1.05 -0.13 0.00 -1.16 0.00 0.00 32.46 30.13 2d2w n ARG 96 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2d2w s GLN 97 N 0.41 0.99 0.00 5.56 0.74 -1.26 -4.89 119.66 121.21 2d2w s GLN 97 Ca 0.26 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.73 2d2w s GLN 97 Cb 0.26 -1.07 0.00 0.00 1.10 0.00 0.00 33.01 33.30 2d2w s GLN 97 CO -0.15 0.25 0.00 -2.13 -0.55 0.00 0.00 175.29 172.71 2d2w n ARG 98 N 1.47 0.00 0.02 1.67 0.00 -1.26 -5.03 116.66 113.53 2d2w n ARG 98 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 2d2w n ARG 98 Cb 0.54 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 32.44 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 1.99 -0.64 1.12 5.14 0.00 -1.26 -4.99 105.19 106.55 2d2w n GLY 99 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2d2w n GLY 99 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2d2w n VAL 100 N -2.59 0.00 -0.47 1.61 0.24 -1.26 -5.32 118.33 110.54 2d2w n VAL 100 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2d2w n VAL 100 Cb 0.00 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49