#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 0.02 -2.75 4.31 2.88 -1.26 -5.04 113.62 111.78 2d2w n SER 2 Ca 0.00 0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2d2w n SER 2 Cb 0.00 -0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 2d2w n SER 2 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2d2w n LYS 3 N -2.53 0.63 -2.89 -1.46 3.00 -1.26 -5.08 118.16 108.58 2d2w n LYS 3 Ca 0.00 -1.90 -0.43 0.00 -0.00 0.00 0.00 58.31 55.98 2d2w n LYS 3 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 35.03 33.54 2d2w n LYS 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2d2w s PRO 4 N 0.80 3.17 0.41 1.64 0.04 -1.26 -5.03 135.00 134.77 2d2w s PRO 4 Ca 0.31 -1.00 -0.01 0.00 0.04 0.00 0.00 61.00 60.33 2d2w s PRO 4 Cb 0.10 -4.33 0.08 0.00 0.04 0.00 0.00 34.50 30.39 2d2w s PRO 4 CO -0.13 -1.79 0.56 -0.35 0.04 0.00 0.00 177.00 175.33 2d2w n PRO 5 N 7.44 0.10 -2.78 0.56 -0.04 -1.26 -4.86 135.00 134.16 2d2w n PRO 5 Ca -0.01 -1.42 -0.34 0.00 -0.04 0.00 0.00 63.50 61.70 2d2w n PRO 5 Cb 0.46 -0.41 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 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 -1.70 3.34 1.03 0.54 2.02 -1.26 -3.97 117.35 117.35 2d2w s TYR 6 Ca 0.36 1.63 -0.19 0.00 -0.37 0.00 0.00 57.07 58.51 2d2w s TYR 6 Cb -0.02 -2.89 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 2d2w s TYR 6 CO 0.24 -0.15 -0.35 0.43 -1.57 0.00 0.00 175.55 174.16 2d2w n SER 7 N -0.47 -3.07 -0.34 2.29 7.64 -1.26 -4.38 113.62 114.04 2d2w n SER 7 Ca 0.06 0.08 0.02 0.00 1.01 0.00 0.00 58.87 60.03 2d2w n SER 7 Cb 0.53 -0.90 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 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 -3.68 0.19 -0.02 1.43 4.01 -1.26 -0.84 117.16 116.99 2d2w n TYR 8 Ca 0.01 -0.08 -0.02 0.00 -0.16 0.00 0.00 57.90 57.65 2d2w n TYR 8 Cb 0.62 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.11 1.93 -0.03 -0.72 0.00 -1.26 -4.44 120.51 115.87 2d2w n ALA 9 Ca 0.04 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2d2w n ALA 9 Cb 0.17 0.28 -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 0.00 0.00 0.00 0.00 177.50 177.50 2d2w n GLN 10 N -2.31 0.67 -0.28 0.00 10.64 -1.21 -3.54 117.38 121.35 2d2w n GLN 10 Ca -0.05 0.25 0.03 0.00 -1.83 0.00 0.00 57.00 55.40 2d2w n GLN 10 Cb 0.58 -1.73 0.17 0.00 -0.86 0.00 0.00 30.24 28.40 2d2w n GLN 10 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2d2w h LEU 11 N 0.02 0.60 -0.48 2.61 5.85 -1.19 0.84 115.31 123.56 2d2w h LEU 11 Ca -0.36 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2d2w h LEU 11 Cb 2.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 43.00 2d2w h LEU 11 CO 0.07 0.33 0.16 0.40 -0.34 0.00 0.00 178.44 179.06 2d2w h ILE 12 N 0.72 1.22 -0.01 4.05 1.08 -1.77 -2.57 117.51 120.23 2d2w h ILE 12 Ca 0.39 -0.73 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2d2w h ILE 12 Cb 0.40 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 2d2w h ILE 12 CO -0.27 0.27 -0.54 0.58 -0.69 0.00 0.00 178.15 177.50 2d2w h VAL 13 N 0.63 0.00 -0.20 1.67 2.07 -0.90 0.64 116.25 120.16 2d2w h VAL 13 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2d2w h VAL 13 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2d2w h VAL 13 CO -0.01 0.00 0.22 -0.61 0.02 0.00 0.00 177.57 177.19 2d2w h GLN 14 N -0.67 0.00 0.00 1.57 4.15 -1.34 0.70 115.11 119.52 2d2w h GLN 14 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2d2w h GLN 14 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2d2w h GLN 14 CO -0.37 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.53 2d2w n ALA 15 N -2.35 -0.06 -0.03 3.38 0.00 0.20 -2.27 120.51 119.38 2d2w n ALA 15 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 2d2w n ALA 15 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 2d2w n ALA 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2d2w h ILE 16 N 0.00 1.35 -0.61 0.00 3.07 -0.72 0.16 117.51 120.77 2d2w h ILE 16 Ca 0.00 -1.16 0.09 0.00 1.55 0.00 0.00 64.86 65.34 2d2w h ILE 16 Cb 0.00 1.94 -0.07 0.00 -0.27 0.00 0.00 36.82 38.42 2d2w h ILE 16 CO 0.00 0.32 0.25 -1.28 -1.05 0.00 0.00 178.15 176.39 2d2w h SER 17 N -0.21 0.28 0.50 2.16 0.87 0.27 0.29 113.55 117.71 2d2w h SER 17 Ca 0.02 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2d2w h SER 17 Cb 0.55 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2d2w h SER 17 CO 0.02 0.17 -0.18 -0.24 -0.53 0.00 0.00 176.83 176.07 2d2w n SER 18 N -4.96 0.43 -2.67 6.23 2.88 -0.96 -4.76 113.62 109.81 2d2w n SER 18 Ca 0.08 -0.34 -0.05 0.00 -1.33 0.00 0.00 58.87 57.24 2d2w n SER 18 Cb 0.25 -0.07 0.04 0.00 -0.75 0.00 0.00 64.21 63.68 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d2w n ALA 19 N -1.14 -0.53 -1.00 -1.46 0.00 0.56 -4.96 120.51 111.98 2d2w n ALA 19 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2d2w n ALA 19 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2d2w n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d2w n GLN 20 N -2.02 0.00 0.00 0.00 0.00 -1.26 -4.55 117.38 109.54 2d2w n GLN 20 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.02 2d2w n GLN 20 Cb 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 30.24 29.97 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2d2w n ASP 21 N 0.00 0.00 0.00 2.61 -0.08 -1.26 -4.98 116.55 112.84 2d2w n ASP 21 Ca 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2d2w n ASP 21 Cb 0.00 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2d2w n ASP 21 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2d2w n ARG 22 N -1.66 0.00 -3.70 -0.67 1.85 -1.25 -4.80 116.66 106.43 2d2w n ARG 22 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 2d2w n ARG 22 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 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 0.00 0.30 0.25 2.89 -2.07 -1.26 -2.99 119.66 116.78 2d2w s GLN 23 Ca 0.00 0.74 0.07 0.00 -1.82 0.00 0.00 55.36 54.36 2d2w s GLN 23 Cb 0.00 -0.01 -0.05 0.00 -1.09 0.00 0.00 33.01 31.86 2d2w s GLN 23 CO 0.00 -0.19 -0.11 -0.51 -1.32 0.00 0.00 175.29 173.17 2d2w s LEU 24 N 1.63 2.52 0.99 2.60 1.43 0.62 -4.90 118.68 123.57 2d2w s LEU 24 Ca -0.07 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.76 2d2w s LEU 24 Cb -0.10 -0.68 0.22 0.00 0.03 0.00 0.00 46.19 45.66 2d2w s LEU 24 CO -0.11 -0.24 1.33 0.42 0.23 0.00 0.00 176.35 177.98 2d2w s THR 25 N -2.97 1.98 0.35 5.49 -4.23 -1.26 -0.37 115.64 114.64 2d2w s THR 25 Ca 0.26 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2d2w s THR 25 Cb 0.01 -2.98 0.18 0.00 1.34 0.00 0.00 72.50 71.05 2d2w s THR 25 CO 0.10 0.00 1.92 0.25 -0.54 0.00 0.00 174.62 176.34 2d2w h LEU 26 N -1.75 0.49 -3.73 4.79 6.46 -1.96 -1.24 115.31 118.38 2d2w h LEU 26 Ca -0.44 -0.07 -0.28 0.00 -0.12 0.00 0.00 57.88 56.97 2d2w h LEU 26 Cb 1.23 -0.13 -0.17 0.00 -0.73 0.00 0.00 40.66 40.86 2d2w h LEU 26 CO 0.35 0.52 0.35 -0.24 -0.62 0.00 0.00 178.44 178.79 2d2w n SER 27 N -4.32 4.57 -0.12 1.25 2.88 -1.26 -4.19 113.62 112.43 2d2w n SER 27 Ca 0.02 -3.26 -0.21 0.00 -1.33 0.00 0.00 58.87 54.09 2d2w n SER 27 Cb 0.20 -0.76 -0.10 0.00 -0.75 0.00 0.00 64.21 62.79 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 -0.33 -0.37 0.36 0.46 0.00 -0.47 -3.73 105.19 101.11 2d2w n GLY 28 Ca 0.44 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.36 0.82 0.03 -0.61 -0.00 -1.72 0.12 117.51 115.79 2d2w h ILE 29 Ca -0.59 -0.06 -0.00 0.00 -0.00 0.00 0.00 64.86 64.21 2d2w h ILE 29 Cb 1.74 0.63 0.00 0.00 -0.00 0.00 0.00 36.82 39.19 2d2w h ILE 29 CO -0.21 0.03 -0.02 1.88 -0.00 0.00 0.00 178.15 179.84 2d2w h TYR 30 N 0.18 -0.04 0.00 2.19 0.05 -1.78 -2.80 116.97 114.76 2d2w h TYR 30 Ca 0.25 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 2d2w h TYR 30 Cb 0.75 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.50 2d2w h TYR 30 CO -0.00 0.65 0.00 0.00 -1.05 0.00 0.00 178.16 177.76 2d2w h ALA 31 N 0.01 1.00 -0.20 3.88 0.00 -1.47 -1.16 119.26 121.31 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 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 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 -2.55 0.00 -0.32 0.00 -0.00 0.36 -2.76 115.22 109.95 2d2w n HIS 32 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.76 2d2w n HIS 32 Cb 0.13 -0.47 0.20 0.00 -0.00 0.00 0.00 29.99 29.85 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 0.89 -0.33 3.57 -0.00 -1.50 0.53 117.51 120.68 2d2w h ILE 33 Ca 0.00 -0.29 0.04 0.00 -0.00 0.00 0.00 64.86 64.61 2d2w h ILE 33 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 36.82 36.77 2d2w h ILE 33 CO 0.00 0.15 0.22 0.71 -0.00 0.00 0.00 178.15 179.24 2d2w h THR 34 N 0.85 0.97 -0.40 2.19 1.35 -1.35 0.55 112.91 117.07 2d2w h THR 34 Ca 0.44 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 66.10 2d2w h THR 34 Cb 0.45 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2d2w h THR 34 CO -0.27 0.05 -0.21 0.50 -0.25 0.00 0.00 175.52 175.33 2d2w h LYS 35 N 0.26 0.85 -0.01 4.72 3.64 -0.70 -2.93 116.57 122.40 2d2w h LYS 35 Ca 0.14 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2d2w h LYS 35 Cb 0.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2d2w h LYS 35 CO -0.03 1.02 -0.21 0.72 -2.27 0.00 0.00 179.45 178.68 2d2w n HIS 36 N -4.21 0.00 -4.25 1.91 8.25 -0.64 -4.79 115.22 111.48 2d2w n HIS 36 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 2d2w n HIS 36 Cb 0.44 -0.10 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.41 1.70 -0.11 4.41 1.51 0.18 -5.03 117.35 117.61 2d2w s TYR 37 Ca 0.27 -0.80 -0.27 0.00 -1.01 0.00 0.00 57.07 55.25 2d2w s TYR 37 Cb 0.20 -1.29 -0.24 0.00 -0.11 0.00 0.00 41.96 40.52 2d2w s TYR 37 CO 0.49 -0.46 0.88 -1.00 -1.11 0.00 0.00 175.55 174.34 2d2w h PRO 38 N 7.63 -0.01 -0.67 -1.71 0.13 -1.86 -3.32 132.00 132.19 2d2w h PRO 38 Ca -0.32 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2d2w h PRO 38 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2d2w h PRO 38 CO 0.46 0.82 0.44 -0.92 -0.23 0.00 0.00 178.00 178.57 2d2w h TYR 39 N -0.87 0.83 -1.00 1.56 5.03 -1.95 -3.33 116.97 117.23 2d2w h TYR 39 Ca -0.00 0.02 -0.51 0.00 2.58 0.00 0.00 58.73 60.82 2d2w h TYR 39 Cb 0.83 -0.28 -0.08 0.00 1.55 0.00 0.00 36.73 38.75 2d2w h TYR 39 CO 0.22 0.51 1.27 0.71 -1.32 0.00 0.00 178.16 179.55 2d2w s TYR 40 N -6.14 2.31 0.38 -3.82 1.51 -1.25 -4.33 117.35 106.01 2d2w s TYR 40 Ca -0.13 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 2d2w s TYR 40 Cb 0.14 -4.51 0.00 0.00 -0.11 0.00 0.00 41.96 37.49 2d2w s TYR 40 CO 0.77 -1.88 0.00 -2.13 -1.11 0.00 0.00 175.55 171.19 2d2w n ARG 41 N 8.88 0.00 -2.23 -0.62 0.63 -1.25 -4.09 116.66 117.98 2d2w n ARG 41 Ca 0.35 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.26 2d2w n ARG 41 Cb 0.50 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.46 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2d2w n THR 42 N -3.47 0.36 -0.04 5.15 -2.24 -1.26 -4.98 114.28 107.80 2d2w n THR 42 Ca 0.00 -1.36 -0.03 0.00 -2.27 0.00 0.00 64.05 60.39 2d2w n THR 42 Cb 0.00 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d2w n ALA 43 N -0.69 0.32 -3.59 6.98 0.00 -1.26 -4.93 120.51 117.34 2d2w n ALA 43 Ca -0.09 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 2d2w n ALA 43 Cb 0.86 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 20.18 2d2w n ALA 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2d2w s ASP 44 N -4.75 3.86 -0.26 0.00 1.47 -1.26 -4.98 116.67 110.75 2d2w s ASP 44 Ca -0.11 -0.46 0.01 0.00 1.18 0.00 0.00 52.55 53.18 2d2w s ASP 44 Cb 0.01 -1.63 0.32 0.00 -0.34 0.00 0.00 42.92 41.29 2d2w s ASP 44 CO 0.16 0.03 1.61 1.17 0.68 0.00 0.00 175.17 178.82 2d2w n LYS 45 N 4.44 1.70 -0.07 2.11 4.81 -1.26 -4.35 118.16 125.54 2d2w n LYS 45 Ca -0.19 -1.59 -0.08 0.00 -0.87 0.00 0.00 58.31 55.58 2d2w n LYS 45 Cb 0.51 -1.62 -0.06 0.00 0.02 0.00 0.00 35.03 33.88 2d2w n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2d2w h GLY 46 N 2.46 0.00 1.78 3.14 0.00 -2.03 -3.30 103.07 105.12 2d2w h GLY 46 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2d2w h GLY 46 CO 0.64 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.51 2d2w n TRP 47 N -4.66 0.00 0.21 5.60 4.27 -1.26 -2.96 117.44 118.63 2d2w n TRP 47 Ca -0.08 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.44 2d2w n TRP 47 Cb 0.28 -0.39 -0.04 0.00 -1.36 0.00 0.00 31.31 29.80 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 0.00 -0.52 0.00 -2.67 5.75 -1.84 -1.57 115.11 114.26 2d2w h GLN 48 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2d2w h GLN 48 Cb 0.09 0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.75 2d2w h GLN 48 CO 0.00 -0.35 0.00 0.09 -2.65 0.00 0.00 178.83 175.92 2d2w n ASN 49 N -3.53 0.12 -0.03 -0.69 4.13 -1.19 -3.10 115.26 110.96 2d2w n ASN 49 Ca -0.07 0.53 -0.14 0.00 1.68 0.00 0.00 54.58 56.58 2d2w n ASN 49 Cb 0.22 -0.55 -0.09 0.00 -1.54 0.00 0.00 39.78 37.81 2d2w n ASN 49 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2d2w h SER 50 N 0.00 0.19 -0.16 6.41 4.64 -1.32 -2.86 113.55 120.45 2d2w h SER 50 Ca 0.00 -0.57 0.02 0.00 -0.47 0.00 0.00 61.79 60.77 2d2w h SER 50 Cb 0.32 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2d2w h SER 50 CO 0.00 0.72 0.02 0.40 -0.87 0.00 0.00 176.83 177.11 2d2w h ILE 51 N -0.34 0.92 0.10 0.95 5.03 -1.24 0.11 117.51 123.04 2d2w h ILE 51 Ca 0.00 -0.03 0.02 0.00 -0.12 0.00 0.00 64.86 64.73 2d2w h ILE 51 Cb 0.70 0.83 -0.04 0.00 -3.03 0.00 0.00 36.82 35.28 2d2w h ILE 51 CO 0.02 0.01 -0.31 -0.09 -0.68 0.00 0.00 178.15 177.11 2d2w h ARG 52 N 0.08 -0.51 0.00 2.37 2.43 -1.64 -0.88 114.38 116.23 2d2w h ARG 52 Ca 0.07 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2d2w h ARG 52 Cb 0.07 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2d2w h ARG 52 CO -0.10 -0.34 -0.15 1.25 -1.51 0.00 0.00 179.97 179.12 2d2w h HIS 53 N -0.53 0.00 -0.08 2.20 2.76 -1.33 -3.04 115.15 115.13 2d2w h HIS 53 Ca 0.04 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 2d2w h HIS 53 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2d2w h HIS 53 CO -0.29 0.15 -0.23 -0.91 -1.30 0.00 0.00 177.93 175.35 2d2w h ASN 54 N 0.00 0.33 0.00 3.26 2.35 0.22 -3.01 115.58 118.74 2d2w h ASN 54 Ca -0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2d2w h ASN 54 Cb 0.44 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2d2w h ASN 54 CO 0.02 0.88 0.01 0.18 -1.65 0.00 0.00 177.43 176.87 2d2w n LEU 55 N -4.51 0.27 -0.08 1.61 4.77 -0.43 -0.80 117.00 117.83 2d2w n LEU 55 Ca -0.08 0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 2d2w n LEU 55 Cb 0.44 -0.66 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 2d2w n LEU 55 CO 0.40 -0.72 -0.52 -1.28 -1.33 0.00 0.00 177.39 173.94 2d2w h SER 56 N 0.00 0.09 -0.37 -1.43 0.87 -1.57 -3.36 113.55 107.78 2d2w h SER 56 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2d2w h SER 56 Cb 0.02 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2d2w h SER 56 CO 0.00 1.54 0.00 0.00 -0.53 0.00 0.00 176.83 177.84 2d2w n LEU 57 N -4.25 2.60 -4.86 2.23 -0.00 -0.89 -4.90 117.00 106.92 2d2w n LEU 57 Ca -0.31 -1.31 -0.31 0.00 -0.00 0.00 0.00 56.01 54.08 2d2w n LEU 57 Cb 0.75 -0.38 -0.05 0.00 -0.00 0.00 0.00 43.42 43.74 2d2w n LEU 57 CO 0.25 0.51 0.42 0.20 -0.00 0.00 0.00 177.39 178.76 2d2w s ASN 58 N -0.81 6.64 0.00 1.45 0.02 0.02 -4.97 114.94 117.29 2d2w s ASN 58 Ca 0.28 1.19 0.26 0.00 -1.02 0.00 0.00 52.86 53.56 2d2w s ASN 58 Cb 0.17 -2.34 0.66 0.00 0.02 0.00 0.00 41.25 39.76 2d2w s ASN 58 CO 0.15 -0.29 1.53 -2.11 0.02 0.00 0.00 177.10 176.40 2d2w n ARG 59 N -0.80 0.00 -2.62 -0.60 0.00 -1.26 -4.19 116.66 107.19 2d2w n ARG 59 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.77 2d2w n ARG 59 Cb 0.53 -1.50 0.03 0.00 -0.00 0.00 0.00 32.46 31.52 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2d2w n TYR 60 N -1.51 1.69 -3.46 2.89 4.11 -1.26 -4.94 117.16 114.69 2d2w n TYR 60 Ca 0.06 -2.60 -0.22 0.00 -0.00 0.00 0.00 57.90 55.14 2d2w n TYR 60 Cb 0.34 -0.29 -0.12 0.00 -0.00 0.00 0.00 39.34 39.27 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 -3.43 -0.16 0.09 -3.48 0.08 -1.26 -2.91 117.98 106.91 2d2w s PHE 61 Ca 0.33 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 57.03 2d2w s PHE 61 Cb 0.41 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 42.19 2d2w s PHE 61 CO -0.02 -0.87 -0.18 0.96 -0.10 0.00 0.00 175.22 175.01 2d2w s ILE 62 N 2.26 2.86 0.00 0.64 -4.36 0.20 -4.67 121.20 118.13 2d2w s ILE 62 Ca 0.09 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 2d2w s ILE 62 Cb -0.15 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.29 2d2w s ILE 62 CO -0.34 0.19 0.00 2.29 0.24 0.00 0.00 174.94 177.32 2d2w n LYS 63 N 1.07 2.57 -3.35 0.37 0.00 -1.26 -0.02 118.16 117.54 2d2w n LYS 63 Ca -0.16 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 57.95 2d2w n LYS 63 Cb 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.47 2d2w n LYS 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2d2w s VAL 64 N 1.20 -0.15 0.78 0.58 0.11 -0.55 -4.81 120.40 117.55 2d2w s VAL 64 Ca 0.00 -1.43 -0.12 0.00 -2.93 0.00 0.00 61.98 57.50 2d2w s VAL 64 Cb 0.00 -0.82 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 2d2w s VAL 64 CO 0.00 -0.75 1.12 -2.16 -3.33 0.00 0.00 175.10 169.98 2d2w s PRO 65 N 1.08 2.20 -0.23 1.54 0.04 -1.26 -4.13 135.00 134.23 2d2w s PRO 65 Ca 0.21 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 2d2w s PRO 65 Cb -0.13 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.57 2d2w s PRO 65 CO -0.04 -1.48 0.44 0.50 0.04 0.00 0.00 177.00 176.46 2d2w s ARG 66 N -5.36 0.38 0.00 4.56 6.06 -1.26 -4.79 118.95 118.53 2d2w s ARG 66 Ca 0.61 0.90 0.00 0.00 -2.50 0.00 0.00 55.73 54.74 2d2w s ARG 66 Cb -0.12 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.02 2d2w s ARG 66 CO 0.52 -0.41 0.75 0.43 -2.50 0.00 0.00 175.30 174.08 2d2w n SER 67 N 5.39 0.00 -0.50 -2.12 7.64 -1.26 -3.69 113.62 119.08 2d2w n SER 67 Ca -0.06 -1.56 0.11 0.00 1.01 0.00 0.00 58.87 58.37 2d2w n SER 67 Cb 0.50 -0.11 0.05 0.00 -1.01 0.00 0.00 64.21 63.64 2d2w n SER 67 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2d2w n GLN 68 N 0.00 1.25 0.01 1.43 -0.06 -1.26 -4.78 117.38 113.98 2d2w n GLN 68 Ca 0.00 -1.01 0.00 0.00 -2.00 0.00 0.00 57.00 53.99 2d2w n GLN 68 Cb 0.61 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.31 2d2w n GLN 68 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2d2w n GLU 69 N 0.01 0.00 -3.44 3.69 4.07 -1.26 -5.10 120.64 118.61 2d2w n GLU 69 Ca 0.10 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.89 2d2w n GLU 69 Cb 0.46 -0.01 -0.04 0.00 -0.06 0.00 0.00 31.44 31.78 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2d2w s GLU 70 N -1.12 3.71 0.00 5.31 0.41 -1.26 -4.96 118.70 120.79 2d2w s GLU 70 Ca 0.00 0.12 0.26 0.00 -0.41 0.00 0.00 54.97 54.94 2d2w s GLU 70 Cb 0.00 -2.68 1.37 0.00 -1.78 0.00 0.00 34.13 31.03 2d2w s GLU 70 CO 0.00 0.31 1.91 -0.35 -0.49 0.00 0.00 175.26 176.63 2d2w n PRO 71 N -0.37 0.43 -2.77 0.39 -0.04 -1.26 -4.42 135.00 126.96 2d2w n PRO 71 Ca -0.01 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 2d2w n PRO 71 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2d2w n PRO 71 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2d2w s GLY 72 N -2.50 1.28 0.07 0.55 0.00 -1.26 -4.99 107.32 100.47 2d2w s GLY 72 Ca 0.27 -1.43 -0.31 0.00 0.00 0.00 0.00 44.72 43.26 2d2w s GLY 72 CO 0.39 2.20 1.82 0.54 0.00 0.00 0.00 173.10 178.05 2d2w s LYS 73 N 4.39 4.15 1.13 2.90 1.02 -1.26 -4.74 119.74 127.34 2d2w s LYS 73 Ca 0.30 2.51 -0.17 0.00 0.02 0.00 0.00 55.97 58.63 2d2w s LYS 73 Cb -0.13 -3.78 0.25 0.00 -0.52 0.00 0.00 37.83 33.65 2d2w s LYS 73 CO 0.16 -0.85 1.12 0.20 -0.92 0.00 0.00 175.35 175.06 2d2w s GLY 74 N 3.18 1.59 -0.31 -3.33 0.00 -1.24 -4.86 107.32 102.34 2d2w s GLY 74 Ca 0.81 -0.82 0.09 0.00 0.00 0.00 0.00 44.72 44.80 2d2w s GLY 74 CO 0.36 -0.01 1.30 1.44 0.00 0.00 0.00 173.10 176.19 2d2w n SER 75 N -4.53 -1.39 -4.63 1.64 7.64 -1.26 -4.60 113.62 106.49 2d2w n SER 75 Ca 0.11 -2.08 -0.41 0.00 1.01 0.00 0.00 58.87 57.51 2d2w n SER 75 Cb 0.59 0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 64.47 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2d2w s PHE 76 N 0.12 3.30 0.30 1.43 2.19 -1.26 -4.19 117.98 119.88 2d2w s PHE 76 Ca 0.11 0.87 -0.23 0.00 0.33 0.00 0.00 56.93 58.01 2d2w s PHE 76 Cb 0.33 -2.86 -0.09 0.00 -1.31 0.00 0.00 43.02 39.09 2d2w s PHE 76 CO -0.09 -0.32 0.87 -1.58 1.83 0.00 0.00 175.22 175.93 2d2w s TRP 77 N 2.49 3.64 0.21 10.12 0.23 0.51 -1.48 118.94 134.64 2d2w s TRP 77 Ca 0.28 1.63 -0.14 0.00 -2.03 0.00 0.00 56.10 55.83 2d2w s TRP 77 Cb -0.15 -2.81 0.01 0.00 0.03 0.00 0.00 33.47 30.55 2d2w s TRP 77 CO 0.08 0.22 0.46 1.03 0.96 0.00 0.00 176.95 179.71 2d2w s ARG 78 N -2.15 1.40 0.31 4.98 0.52 0.98 -0.28 118.95 124.71 2d2w s ARG 78 Ca 0.49 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.72 2d2w s ARG 78 Cb -0.17 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 2d2w s ARG 78 CO 0.22 -0.57 0.12 0.96 0.02 0.00 0.00 175.30 176.05 2d2w s ILE 79 N -3.94 3.31 0.68 1.52 -4.36 -1.16 0.61 121.20 117.86 2d2w s ILE 79 Ca 0.15 -1.69 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 2d2w s ILE 79 Cb -0.00 -3.01 0.01 0.00 1.25 0.00 0.00 42.46 40.71 2d2w s ILE 79 CO 0.02 -0.24 1.25 0.47 0.24 0.00 0.00 174.94 176.67 2d2w n ASP 80 N -1.11 1.76 -0.03 4.36 9.92 -1.15 -4.68 116.55 125.63 2d2w n ASP 80 Ca -0.04 0.78 -0.16 0.00 -0.53 0.00 0.00 54.79 54.84 2d2w n ASP 80 Cb 0.60 -1.53 -0.12 0.00 -0.64 0.00 0.00 41.12 39.42 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2d2w h PRO 81 N 0.23 0.13 -0.57 -0.24 0.13 -1.98 -3.10 132.00 126.60 2d2w h PRO 81 Ca -0.50 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2d2w h PRO 81 Cb 1.33 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2d2w h PRO 81 CO 0.51 0.99 0.00 0.00 -0.23 0.00 0.00 178.00 179.27 2d2w n ALA 82 N -2.58 2.80 0.05 -0.56 0.00 -1.26 -3.53 120.51 115.42 2d2w n ALA 82 Ca -0.10 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.56 2d2w n ALA 82 Cb 0.54 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.44 0.17 0.28 0.00 7.64 -1.24 -4.62 113.62 116.29 2d2w n SER 83 Ca 0.13 -0.58 0.17 0.00 1.01 0.00 0.00 58.87 59.59 2d2w n SER 83 Cb 0.50 0.89 0.95 0.00 -1.01 0.00 0.00 64.21 65.54 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 0.03 0.00 0.00 1.43 4.81 -1.58 0.25 114.58 119.52 2d2w h GLU 84 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2d2w h GLU 84 Cb 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2d2w h GLU 84 CO 0.00 0.00 -0.40 0.00 -0.73 0.00 0.00 179.01 177.88 2d2w h ALA 85 N 1.92 0.78 0.03 2.92 0.00 -1.84 -2.68 119.26 120.40 2d2w h ALA 85 Ca 0.02 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 2d2w h ALA 85 Cb 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2d2w h ALA 85 CO -0.00 0.39 -1.95 0.36 0.00 0.00 0.00 179.25 178.04 2d2w n LYS 86 N -3.13 0.68 -0.02 0.00 2.85 -0.09 -4.02 118.16 114.43 2d2w n LYS 86 Ca 0.02 0.23 -0.15 0.00 -1.05 0.00 0.00 58.31 57.36 2d2w n LYS 86 Cb 0.66 -1.71 -0.11 0.00 -0.65 0.00 0.00 35.03 33.22 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 0.02 0.31 -1.96 -5.58 -0.00 -1.21 -3.11 115.31 103.78 2d2w h LEU 87 Ca -0.39 -0.73 0.25 0.00 -0.00 0.00 0.00 57.88 57.02 2d2w h LEU 87 Cb 2.05 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 42.58 2d2w h LEU 87 CO 0.06 0.99 0.66 -0.37 -0.00 0.00 0.00 178.44 179.79 2d2w h VAL 88 N -0.34 0.47 -0.69 0.15 -1.51 -1.67 0.53 116.25 113.19 2d2w h VAL 88 Ca -0.03 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.53 2d2w h VAL 88 Cb 1.02 0.53 -0.07 0.00 -2.13 0.00 0.00 31.29 30.63 2d2w h VAL 88 CO 0.06 0.00 0.33 -0.33 -1.23 0.00 0.00 177.57 176.40 2d2w h GLU 89 N 0.00 0.54 0.00 5.19 5.08 -1.67 0.28 114.58 124.00 2d2w h GLU 89 Ca 0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2d2w h GLU 89 Cb 1.73 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2d2w h GLU 89 CO -0.00 0.36 -0.15 1.04 -1.00 0.00 0.00 179.01 179.25 2d2w n GLN 90 N -4.89 0.25 -0.12 2.33 6.02 0.13 -3.73 117.38 117.37 2d2w n GLN 90 Ca 0.11 0.17 -0.09 0.00 -0.01 0.00 0.00 57.00 57.17 2d2w n GLN 90 Cb 0.28 -1.75 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d2w h ALA 91 N 2.56 0.45 -0.20 -1.58 0.00 0.06 -2.05 119.26 118.51 2d2w h ALA 91 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2d2w h ALA 91 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2d2w h ALA 91 CO 0.00 0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.48 2d2w n PHE 92 N -4.71 0.66 -3.55 0.00 3.72 -1.04 -4.79 117.46 107.75 2d2w n PHE 92 Ca -0.01 -0.24 -0.06 0.00 -0.05 0.00 0.00 57.45 57.10 2d2w n PHE 92 Cb 0.13 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 2d2w n PHE 92 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2d2w n ARG 93 N 0.22 1.30 -1.85 -1.08 0.63 -0.77 -5.13 116.66 109.98 2d2w n ARG 93 Ca 0.09 -0.74 0.00 0.00 -0.92 0.00 0.00 57.85 56.28 2d2w n ARG 93 Cb 0.53 0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.51 2d2w n ARG 93 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2d2w n LYS 94 N -0.81 2.12 -2.58 -0.14 5.02 -1.26 -4.81 118.16 115.70 2d2w n LYS 94 Ca -0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2d2w n LYS 94 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.12 2d2w n LYS 94 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2d2w s ARG 95 N -1.77 3.57 0.00 1.97 3.52 -1.25 -4.69 118.95 120.29 2d2w s ARG 95 Ca 0.00 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 2d2w s ARG 95 Cb 0.00 -5.27 0.00 0.00 -1.56 0.00 0.00 34.95 28.12 2d2w s ARG 95 CO 0.00 -2.19 0.00 -2.13 -0.81 0.00 0.00 175.30 170.17 2d2w n ARG 96 N 8.82 1.93 -3.31 5.12 0.63 -1.26 -5.08 116.66 123.50 2d2w n ARG 96 Ca 0.31 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 57.03 2d2w n ARG 96 Cb 0.51 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.44 2d2w n ARG 96 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2d2w s GLN 97 N -1.17 2.45 0.07 -0.14 -0.21 -1.26 -5.08 119.66 114.33 2d2w s GLN 97 Ca 0.00 -1.62 -0.26 0.00 0.02 0.00 0.00 55.36 53.50 2d2w s GLN 97 Cb 0.00 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 2d2w s GLN 97 CO 0.00 -0.55 0.82 1.03 -2.12 0.00 0.00 175.29 174.47 2d2w s ARG 98 N -4.41 4.56 -0.36 2.91 0.52 -1.26 -4.97 118.95 115.94 2d2w s ARG 98 Ca 0.52 1.18 0.13 0.00 -0.52 0.00 0.00 55.73 57.05 2d2w s ARG 98 Cb -0.05 -3.36 0.39 0.00 0.52 0.00 0.00 34.95 32.45 2d2w s ARG 98 CO 0.32 0.29 0.88 0.41 0.02 0.00 0.00 175.30 177.22 2d2w n GLY 99 N 2.28 2.45 3.22 -3.53 0.00 -1.26 -5.08 105.19 103.27 2d2w n GLY 99 Ca -0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2d2w n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d2w s VAL 100 N -2.24 -0.23 0.00 1.61 -7.23 -1.26 -5.34 120.40 105.71 2d2w s VAL 100 Ca 0.33 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 2d2w s VAL 100 Cb 0.39 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.74 2d2w s VAL 100 CO -0.04 0.06 0.15 -1.20 -0.31 0.00 0.00 175.10 173.76