#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2w s SER 2 N 0.00 -0.62 0.37 1.62 0.01 -1.26 -4.99 113.70 108.84 2d2w s SER 2 Ca 0.00 0.98 -0.23 0.00 1.31 0.00 0.00 55.95 58.01 2d2w s SER 2 Cb 0.00 0.93 -0.10 0.00 0.21 0.00 0.00 66.02 67.05 2d2w s SER 2 CO 0.00 -0.35 0.94 -1.59 0.41 0.00 0.00 173.24 172.65 2d2w s LYS 3 N -0.31 4.40 -0.52 12.44 -2.85 -1.26 -4.99 119.74 126.65 2d2w s LYS 3 Ca -0.03 1.21 -0.28 0.00 -1.00 0.00 0.00 55.97 55.88 2d2w s LYS 3 Cb -0.03 -2.50 0.03 0.00 -2.06 0.00 0.00 37.83 33.28 2d2w s LYS 3 CO 0.02 0.13 1.11 -1.25 0.10 0.00 0.00 175.35 175.46 2d2w s PRO 4 N -2.61 3.59 0.00 1.78 0.04 -1.26 -5.02 135.00 131.52 2d2w s PRO 4 Ca 0.56 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2d2w s PRO 4 Cb -0.14 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2d2w s PRO 4 CO 0.18 -1.48 0.00 -0.35 0.04 0.00 0.00 177.00 175.40 2d2w n PRO 5 N 7.93 0.67 -1.58 0.56 -0.04 -1.26 -5.05 135.00 136.23 2d2w n PRO 5 Ca 0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.26 2d2w n PRO 5 Cb 0.49 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.25 2.28 0.99 0.54 2.02 -1.26 -4.94 117.35 116.74 2d2w s TYR 6 Ca 0.00 0.75 -0.16 0.00 -0.37 0.00 0.00 57.07 57.29 2d2w s TYR 6 Cb 0.00 -3.49 -0.03 0.00 -0.40 0.00 0.00 41.96 38.03 2d2w s TYR 6 CO 0.00 -2.46 -0.17 0.43 -1.57 0.00 0.00 175.55 171.77 2d2w n SER 7 N -3.80 -3.46 -0.08 2.29 7.64 -1.26 -4.43 113.62 110.52 2d2w n SER 7 Ca 0.08 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2d2w n SER 7 Cb 0.59 -0.98 0.01 0.00 -1.01 0.00 0.00 64.21 62.82 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 -3.34 0.04 -0.02 1.43 4.01 -1.26 -0.79 117.16 117.23 2d2w n TYR 8 Ca 0.03 -0.02 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 2d2w n TYR 8 Cb 0.57 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 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 -0.39 1.92 0.03 -0.72 0.00 -1.26 -4.23 120.51 115.87 2d2w n ALA 9 Ca 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.15 2d2w n ALA 9 Cb 0.04 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.11 0.62 0.10 0.00 7.27 -1.12 -3.29 117.38 118.85 2d2w n GLN 10 Ca -0.07 0.19 -0.04 0.00 0.07 0.00 0.00 57.00 57.15 2d2w n GLN 10 Cb 0.59 -1.79 0.13 0.00 2.41 0.00 0.00 30.24 31.59 2d2w n GLN 10 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2d2w h LEU 11 N 0.00 0.21 -0.16 1.69 5.85 -1.18 -3.01 115.31 118.71 2d2w h LEU 11 Ca -0.16 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 2d2w h LEU 11 Cb 1.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2d2w h LEU 11 CO 0.04 0.76 -0.32 0.40 -0.34 0.00 0.00 178.44 178.98 2d2w h ILE 12 N 0.14 1.35 -0.84 4.05 1.08 -1.73 -3.05 117.51 118.51 2d2w h ILE 12 Ca -0.01 -1.57 0.19 0.00 -0.39 0.00 0.00 64.86 63.08 2d2w h ILE 12 Cb 1.10 1.97 -0.06 0.00 -3.07 0.00 0.00 36.82 36.76 2d2w h ILE 12 CO 0.09 0.47 0.56 0.58 -0.69 0.00 0.00 178.15 179.17 2d2w h VAL 13 N 0.13 0.70 -0.01 1.67 2.07 -1.52 0.67 116.25 119.96 2d2w h VAL 13 Ca 0.01 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 2d2w h VAL 13 Cb 0.91 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2d2w h VAL 13 CO 0.07 0.06 -0.64 -0.61 0.02 0.00 0.00 177.57 176.47 2d2w h GLN 14 N 0.34 0.04 0.47 1.57 4.15 -1.43 0.15 115.11 120.41 2d2w h GLN 14 Ca 0.42 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 2d2w h GLN 14 Cb 1.13 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2d2w h GLN 14 CO -0.13 0.66 -0.23 0.00 -1.93 0.00 0.00 178.83 177.21 2d2w h ALA 15 N 1.33 -0.64 0.00 3.38 0.00 0.41 -2.84 119.26 120.90 2d2w h ALA 15 Ca -0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2d2w h ALA 15 Cb 1.14 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2d2w h ALA 15 CO 0.09 -0.66 -0.82 -0.84 0.00 0.00 0.00 179.25 177.02 2d2w h ILE 16 N -1.04 1.27 0.00 0.00 -0.00 -1.37 -1.95 117.51 114.42 2d2w h ILE 16 Ca -0.06 -2.82 0.00 0.00 -0.00 0.00 0.00 64.86 61.97 2d2w h ILE 16 Cb 0.58 2.62 0.00 0.00 -0.00 0.00 0.00 36.82 40.02 2d2w h ILE 16 CO 0.11 0.72 0.00 0.28 -0.00 0.00 0.00 178.15 179.26 2d2w h SER 17 N 0.00 0.00 -0.01 2.16 0.02 -1.06 -1.23 113.55 113.43 2d2w h SER 17 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2d2w h SER 17 Cb 1.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2d2w h SER 17 CO 0.10 0.00 -0.12 -0.24 -1.14 0.00 0.00 176.83 175.43 2d2w n SER 18 N -2.60 1.71 -4.82 3.07 2.88 -1.07 -4.97 113.62 107.83 2d2w n SER 18 Ca 0.01 -1.36 -0.38 0.00 -1.33 0.00 0.00 58.87 55.81 2d2w n SER 18 Cb 0.22 0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.28 3.59 0.13 -1.46 0.00 -0.46 -4.96 121.76 117.31 2d2w s ALA 19 Ca 0.12 -0.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 2d2w s ALA 19 Cb 0.10 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.56 2d2w s ALA 19 CO 0.23 0.41 1.42 1.04 0.00 0.00 0.00 175.76 178.86 2d2w n GLN 20 N 1.51 -0.35 -3.34 0.00 6.02 -1.26 -3.86 117.38 116.10 2d2w n GLN 20 Ca -0.09 1.40 -0.38 0.00 -0.01 0.00 0.00 57.00 57.92 2d2w n GLN 20 Cb 0.51 -2.06 -0.06 0.00 1.02 0.00 0.00 30.24 29.65 2d2w n GLN 20 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2d2w s ASP 21 N -5.00 6.70 0.00 1.08 2.15 -1.26 -4.92 116.67 115.42 2d2w s ASP 21 Ca -0.10 0.83 0.00 0.00 0.43 0.00 0.00 52.55 53.71 2d2w s ASP 21 Cb 0.09 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2d2w s ASP 21 CO 0.49 0.05 0.70 0.54 -0.17 0.00 0.00 175.17 176.78 2d2w n ARG 22 N 3.40 0.00 -3.48 4.34 3.00 -1.25 -4.45 116.66 118.22 2d2w n ARG 22 Ca -0.08 0.21 -0.38 0.00 -0.01 0.00 0.00 57.85 57.58 2d2w n ARG 22 Cb 0.52 -1.51 -0.09 0.00 0.00 0.00 0.00 32.46 31.38 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2d2w s GLN 23 N -2.40 4.05 0.15 5.56 -2.07 -1.26 -3.17 119.66 120.54 2d2w s GLN 23 Ca 0.00 -0.05 0.10 0.00 -1.82 0.00 0.00 55.36 53.59 2d2w s GLN 23 Cb 0.00 -3.60 -0.04 0.00 -1.09 0.00 0.00 33.01 28.28 2d2w s GLN 23 CO 0.00 -0.13 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.15 2d2w s LEU 24 N 1.61 2.65 0.83 2.60 1.43 -0.04 -4.88 118.68 122.88 2d2w s LEU 24 Ca 0.13 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2d2w s LEU 24 Cb -0.15 -1.44 0.09 0.00 0.03 0.00 0.00 46.19 44.73 2d2w s LEU 24 CO 0.08 0.15 1.18 0.42 0.23 0.00 0.00 176.35 178.41 2d2w s THR 25 N -1.41 2.00 0.41 5.49 -4.23 -1.26 -2.85 115.64 113.79 2d2w s THR 25 Ca 0.20 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 2d2w s THR 25 Cb -0.09 -2.96 0.24 0.00 1.34 0.00 0.00 72.50 71.02 2d2w s THR 25 CO 0.11 0.00 2.03 0.25 -0.54 0.00 0.00 174.62 176.46 2d2w h LEU 26 N -1.14 0.37 -3.92 4.79 6.46 -1.97 -1.32 115.31 118.58 2d2w h LEU 26 Ca -0.47 -0.03 -0.46 0.00 -0.12 0.00 0.00 57.88 56.80 2d2w h LEU 26 Cb 1.33 -0.09 -0.28 0.00 -0.73 0.00 0.00 40.66 40.89 2d2w h LEU 26 CO 0.65 0.33 0.59 -1.20 -0.62 0.00 0.00 178.44 178.19 2d2w n SER 27 N -4.43 3.91 -0.13 1.25 7.64 -1.26 -4.36 113.62 116.24 2d2w n SER 27 Ca 0.01 -3.52 -0.26 0.00 1.01 0.00 0.00 58.87 56.12 2d2w n SER 27 Cb 0.12 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 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 -0.96 -0.41 0.38 0.23 0.00 -0.50 -4.20 105.19 99.73 2d2w n GLY 28 Ca 0.56 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.74 0.75 -0.23 -0.61 2.10 -1.76 -0.27 117.51 116.75 2d2w h ILE 29 Ca -0.64 -0.04 -0.05 0.00 1.08 0.00 0.00 64.86 65.21 2d2w h ILE 29 Cb 1.64 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 2d2w h ILE 29 CO -0.34 0.02 -0.05 1.88 -1.08 0.00 0.00 178.15 178.59 2d2w h TYR 30 N 0.12 0.48 0.00 2.19 0.05 -1.81 -1.09 116.97 116.92 2d2w h TYR 30 Ca 0.28 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.96 2d2w h TYR 30 Cb 0.96 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.58 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 0.76 1.00 0.02 3.88 0.00 -1.25 -0.89 119.26 122.77 2d2w h ALA 31 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2d2w h ALA 31 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2d2w h ALA 31 CO 0.02 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.51 2d2w h HIS 32 N 0.00 -0.03 -0.43 0.00 -0.00 -0.25 -3.18 115.15 111.26 2d2w h HIS 32 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2d2w h HIS 32 Cb 0.28 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2d2w h HIS 32 CO 0.00 -0.02 0.21 -0.84 -0.00 0.00 0.00 177.93 177.28 2d2w h ILE 33 N -0.16 1.15 -0.11 6.26 -0.00 -1.35 -0.20 117.51 123.10 2d2w h ILE 33 Ca -0.00 -0.42 0.03 0.00 -0.00 0.00 0.00 64.86 64.47 2d2w h ILE 33 Cb 0.02 0.60 -0.00 0.00 -0.00 0.00 0.00 36.82 37.44 2d2w h ILE 33 CO 0.01 0.17 0.12 0.71 -0.00 0.00 0.00 178.15 179.15 2d2w h THR 34 N 0.60 0.54 0.00 0.16 1.35 -1.29 1.18 112.91 115.45 2d2w h THR 34 Ca 0.15 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.98 2d2w h THR 34 Cb 0.07 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 2d2w h THR 34 CO -0.02 0.00 -0.42 0.11 -0.25 0.00 0.00 175.52 174.94 2d2w h LYS 35 N 0.00 0.00 0.52 4.72 1.57 -1.03 -3.41 116.57 118.94 2d2w h LYS 35 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2d2w h LYS 35 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.60 2d2w h LYS 35 CO -0.00 0.26 -0.25 0.45 -0.57 0.00 0.00 179.45 179.34 2d2w h HIS 36 N -1.00 -0.65 -3.23 -1.35 3.86 -1.15 -3.40 115.15 108.24 2d2w h HIS 36 Ca -0.06 -0.02 -0.57 0.00 -1.16 0.00 0.00 60.37 58.57 2d2w h HIS 36 Cb 0.53 0.22 -0.05 0.00 1.06 0.00 0.00 27.41 29.16 2d2w h HIS 36 CO -0.05 -0.37 0.94 0.71 0.86 0.00 0.00 177.93 180.02 2d2w s TYR 37 N -4.09 2.80 0.11 2.45 2.02 0.40 -4.89 117.35 116.16 2d2w s TYR 37 Ca -0.12 0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 57.44 2d2w s TYR 37 Cb 0.01 -3.90 -0.14 0.00 -0.40 0.00 0.00 41.96 37.53 2d2w s TYR 37 CO 0.37 -1.45 1.27 -1.00 -1.57 0.00 0.00 175.55 173.16 2d2w h PRO 38 N 9.01 0.54 0.48 -1.71 0.13 -1.78 -3.34 132.00 135.33 2d2w h PRO 38 Ca -0.25 -0.56 -0.02 0.00 -0.87 0.00 0.00 66.00 64.30 2d2w h PRO 38 Cb 1.09 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2d2w h PRO 38 CO 1.04 1.19 -0.23 -0.92 -0.23 0.00 0.00 178.00 178.85 2d2w h TYR 39 N 0.31 -0.60 -1.30 1.56 5.03 -1.91 -3.39 116.97 116.68 2d2w h TYR 39 Ca -0.09 -0.01 -0.45 0.00 2.58 0.00 0.00 58.73 60.75 2d2w h TYR 39 Cb 1.60 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 40.07 2d2w h TYR 39 CO 0.08 -0.32 1.61 0.66 -1.32 0.00 0.00 178.16 178.86 2d2w n TYR 40 N -5.33 1.27 0.00 -3.82 4.01 -1.25 -4.40 117.16 107.64 2d2w n TYR 40 Ca -0.11 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2d2w n TYR 40 Cb 0.29 -2.58 0.00 0.00 -0.31 0.00 0.00 39.34 36.74 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 8.90 0.00 0.19 -0.72 0.63 -1.26 -4.22 116.66 120.17 2d2w n ARG 41 Ca 0.42 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.38 2d2w n ARG 41 Cb 0.46 0.00 0.37 0.00 0.45 0.00 0.00 32.46 33.74 2d2w n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2d2w h THR 42 N 0.00 1.20 -3.31 5.15 1.03 -1.92 -3.41 112.91 111.65 2d2w h THR 42 Ca 0.00 -1.31 -0.58 0.00 -0.01 0.00 0.00 66.41 64.52 2d2w h THR 42 Cb 0.00 1.72 -0.08 0.00 -1.07 0.00 0.00 68.15 68.72 2d2w h THR 42 CO 0.00 0.37 -0.16 0.00 -0.01 0.00 0.00 175.52 175.72 2d2w s ALA 43 N -4.10 3.50 0.00 0.00 0.00 -1.26 -4.86 121.76 115.03 2d2w s ALA 43 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2d2w s ALA 43 Cb 0.14 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2d2w s ALA 43 CO 0.72 0.04 0.28 -0.40 0.00 0.00 0.00 175.76 176.40 2d2w n ASP 44 N 3.55 -0.26 -2.05 0.00 5.75 -1.26 -4.87 116.55 117.41 2d2w n ASP 44 Ca -0.08 -0.57 -0.20 0.00 -0.01 0.00 0.00 54.79 53.93 2d2w n ASP 44 Cb 0.52 0.08 0.02 0.00 -1.03 0.00 0.00 41.12 40.70 2d2w n ASP 44 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2d2w n LYS 45 N 0.00 1.99 0.10 0.11 3.00 -1.26 -3.93 118.16 118.17 2d2w n LYS 45 Ca -0.07 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.40 2d2w n LYS 45 Cb 0.35 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.61 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d2w n GLY 46 N 0.40 -1.76 0.00 3.14 0.00 -1.26 -4.90 105.19 100.81 2d2w n GLY 46 Ca 0.36 0.40 0.07 0.00 0.00 0.00 0.00 46.02 46.84 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 -2.92 0.00 0.23 1.61 4.27 -1.26 -3.00 117.44 116.38 2d2w n TRP 47 Ca 0.00 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.52 2d2w n TRP 47 Cb 0.00 -0.10 -0.05 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 -0.59 0.00 -2.67 5.75 -1.91 -1.37 115.11 114.32 2d2w h GLN 48 Ca 0.00 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2d2w h GLN 48 Cb 0.04 0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 2d2w h GLN 48 CO 0.00 -0.40 -0.15 -0.97 -2.65 0.00 0.00 178.83 174.66 2d2w h ASN 49 N -0.84 0.00 -0.55 -0.69 -0.73 -1.89 -2.93 115.58 107.96 2d2w h ASN 49 Ca -0.06 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.05 2d2w h ASN 49 Cb 0.47 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2d2w h ASN 49 CO 0.10 0.15 0.12 0.28 -0.37 0.00 0.00 177.43 177.71 2d2w h SER 50 N 0.00 0.84 0.48 1.15 0.02 -1.50 -2.30 113.55 112.25 2d2w h SER 50 Ca -0.00 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2d2w h SER 50 Cb 0.71 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2d2w h SER 50 CO 0.02 0.87 -0.23 0.40 -1.14 0.00 0.00 176.83 176.75 2d2w h ILE 51 N 0.78 0.52 -0.03 3.27 5.03 -1.05 0.29 117.51 126.32 2d2w h ILE 51 Ca 0.17 -0.08 0.01 0.00 -0.12 0.00 0.00 64.86 64.84 2d2w h ILE 51 Cb 0.37 0.56 -0.03 0.00 -3.03 0.00 0.00 36.82 34.69 2d2w h ILE 51 CO 0.00 0.01 -0.25 -0.09 -0.68 0.00 0.00 178.15 177.15 2d2w h ARG 52 N -0.69 -0.28 -0.07 2.37 2.43 -1.54 0.58 114.38 117.17 2d2w h ARG 52 Ca -0.07 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2d2w h ARG 52 Cb 0.52 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2d2w h ARG 52 CO 0.11 -0.19 0.09 1.25 -1.51 0.00 0.00 179.97 179.72 2d2w h HIS 53 N -0.29 0.00 0.00 2.20 2.76 -1.42 -1.86 115.15 116.54 2d2w h HIS 53 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2d2w h HIS 53 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 2d2w h HIS 53 CO -0.47 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.25 2d2w n ASN 54 N -3.74 0.00 0.00 3.26 3.02 0.10 -2.25 115.26 115.66 2d2w n ASN 54 Ca -0.01 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 2d2w n ASN 54 Cb 0.19 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 2d2w n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d2w n LEU 55 N -1.45 0.00 -0.07 3.41 -0.00 -0.33 0.16 117.00 118.72 2d2w n LEU 55 Ca 0.00 0.38 -0.10 0.00 -0.00 0.00 0.00 56.01 56.29 2d2w n LEU 55 Cb 0.00 -0.38 -0.07 0.00 -0.00 0.00 0.00 43.42 42.97 2d2w n LEU 55 CO 0.00 -0.38 -0.05 0.28 -0.00 0.00 0.00 177.39 177.24 2d2w h SER 56 N 0.00 0.00 -0.39 1.45 0.02 -1.36 -3.34 113.55 109.93 2d2w h SER 56 Ca 0.00 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2d2w h SER 56 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2d2w h SER 56 CO 0.00 0.93 0.00 0.00 -1.14 0.00 0.00 176.83 176.62 2d2w n LEU 57 N -4.62 2.47 -4.51 5.07 -0.00 -0.89 -4.83 117.00 109.70 2d2w n LEU 57 Ca -0.12 -1.24 -0.29 0.00 -0.00 0.00 0.00 56.01 54.36 2d2w n LEU 57 Cb 0.35 -0.34 0.24 0.00 -0.00 0.00 0.00 43.42 43.68 2d2w n LEU 57 CO 0.17 0.53 0.55 0.20 -0.00 0.00 0.00 177.39 178.84 2d2w s ASN 58 N -0.89 0.73 -0.04 1.45 0.02 0.12 -4.97 114.94 111.36 2d2w s ASN 58 Ca 0.28 0.96 0.13 0.00 -1.02 0.00 0.00 52.86 53.21 2d2w s ASN 58 Cb 0.16 -1.43 -0.22 0.00 0.02 0.00 0.00 41.25 39.78 2d2w s ASN 58 CO 0.17 -4.28 0.65 -2.11 0.02 0.00 0.00 177.10 171.55 2d2w n ARG 59 N -4.91 0.63 -0.01 -0.60 1.85 -1.26 -4.41 116.66 107.95 2d2w n ARG 59 Ca 0.09 0.27 0.05 0.00 -1.00 0.00 0.00 57.85 57.27 2d2w n ARG 59 Cb 0.58 -1.78 -0.09 0.00 -1.05 0.00 0.00 32.46 30.12 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 -3.01 0.00 -2.69 2.89 0.18 -1.26 -4.98 117.16 108.29 2d2w n TYR 60 Ca -0.17 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.24 2d2w n TYR 60 Cb 1.04 -0.28 -0.06 0.00 -0.38 0.00 0.00 39.34 39.66 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 -2.78 3.61 0.14 -3.48 0.08 -1.26 -1.04 117.98 113.24 2d2w s PHE 61 Ca -0.04 1.76 -0.00 0.00 0.12 0.00 0.00 56.93 58.76 2d2w s PHE 61 Cb 0.07 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 2d2w s PHE 61 CO 0.48 -0.04 0.03 0.96 -0.10 0.00 0.00 175.22 176.55 2d2w s ILE 62 N -1.54 0.30 -0.04 0.64 -4.36 0.14 -4.62 121.20 111.73 2d2w s ILE 62 Ca 0.50 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 59.01 2d2w s ILE 62 Cb -0.21 -2.01 -0.03 0.00 1.25 0.00 0.00 42.46 41.46 2d2w s ILE 62 CO 0.27 -0.53 -0.16 -0.75 0.24 0.00 0.00 174.94 174.02 2d2w s LYS 63 N -3.99 2.44 -0.69 0.37 2.20 -1.26 -0.49 119.74 118.32 2d2w s LYS 63 Ca 0.22 -0.74 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 2d2w s LYS 63 Cb 0.07 -2.33 0.17 0.00 -1.51 0.00 0.00 37.83 34.23 2d2w s LYS 63 CO 0.01 0.61 0.48 0.14 -0.36 0.00 0.00 175.35 176.23 2d2w s VAL 64 N -0.72 2.85 0.75 4.02 -7.23 -1.06 -4.90 120.40 114.11 2d2w s VAL 64 Ca 0.11 -4.20 -0.11 0.00 -1.81 0.00 0.00 61.98 55.97 2d2w s VAL 64 Cb -0.11 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 34.00 2d2w s VAL 64 CO 0.00 -0.99 1.10 -2.16 -0.31 0.00 0.00 175.10 172.74 2d2w s PRO 65 N -1.36 2.46 0.00 4.82 0.04 -1.26 -4.73 135.00 134.97 2d2w s PRO 65 Ca 0.24 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2d2w s PRO 65 Cb -0.06 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2d2w s PRO 65 CO -0.15 -1.33 0.00 -2.13 0.04 0.00 0.00 177.00 173.43 2d2w n ARG 66 N -3.21 3.96 0.00 4.56 0.63 -1.26 -5.02 116.66 116.32 2d2w n ARG 66 Ca 0.07 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.11 2d2w n ARG 66 Cb 0.57 0.00 0.06 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 2.58 -2.00 6.15 2.88 -1.26 -4.38 113.62 117.59 2d2w n SER 67 Ca 0.00 -1.79 -0.21 0.00 -1.33 0.00 0.00 58.87 55.54 2d2w n SER 67 Cb 0.00 0.16 0.04 0.00 -0.75 0.00 0.00 64.21 63.67 2d2w n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2d2w n GLN 68 N 0.84 2.01 -2.46 -1.46 -0.06 -1.26 -4.87 117.38 110.11 2d2w n GLN 68 Ca 0.12 -1.95 -0.39 0.00 -2.00 0.00 0.00 57.00 52.77 2d2w n GLN 68 Cb 0.53 -1.77 -0.03 0.00 -4.06 0.00 0.00 30.24 24.90 2d2w n GLN 68 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2d2w s GLU 69 N -2.25 3.27 -0.10 3.69 2.12 -1.26 -4.82 118.70 119.35 2d2w s GLU 69 Ca 0.39 -0.60 -0.08 0.00 0.36 0.00 0.00 54.97 55.04 2d2w s GLU 69 Cb 0.30 -4.86 -0.06 0.00 0.26 0.00 0.00 34.13 29.77 2d2w s GLU 69 CO -0.01 -2.35 0.23 0.93 -0.54 0.00 0.00 175.26 173.51 2d2w h GLU 70 N 10.43 -0.04 0.00 4.30 4.39 -1.89 -3.43 114.58 128.33 2d2w h GLU 70 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2d2w h GLU 70 Cb 1.03 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2d2w h GLU 70 CO 1.34 0.19 0.00 -0.35 -1.16 0.00 0.00 179.01 179.03 2d2w n PRO 71 N -4.77 0.00 0.00 2.33 -0.04 -1.26 -4.99 135.00 126.26 2d2w n PRO 71 Ca -0.03 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2d2w n PRO 71 Cb 0.12 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 2d2w n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d2w n GLY 72 N 2.30 0.00 0.00 0.55 0.00 -1.26 -5.17 105.19 101.61 2d2w n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2d2w n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d2w n LYS 73 N 0.00 -0.97 0.00 1.61 5.02 -1.26 -5.16 118.16 117.39 2d2w n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2d2w n LYS 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2d2w n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d2w n GLY 74 N -0.02 1.41 1.01 0.72 0.00 -1.26 -4.74 105.19 102.32 2d2w n GLY 74 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2d2w n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d2w n SER 75 N 0.00 -0.18 -3.15 1.61 3.41 -1.26 -5.08 113.62 108.96 2d2w n SER 75 Ca 0.00 -0.65 0.05 0.00 -0.26 0.00 0.00 58.87 58.00 2d2w n SER 75 Cb 0.00 0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2d2w s PHE 76 N 0.01 -1.18 0.05 7.33 2.19 -1.26 -4.65 117.98 120.47 2d2w s PHE 76 Ca 0.01 0.83 0.02 0.00 0.33 0.00 0.00 56.93 58.12 2d2w s PHE 76 Cb 0.03 0.26 -0.04 0.00 -1.31 0.00 0.00 43.02 41.96 2d2w s PHE 76 CO -0.01 -0.68 0.06 1.67 1.83 0.00 0.00 175.22 178.09 2d2w s TRP 77 N 2.89 3.16 0.09 10.12 1.48 -1.13 -2.57 118.94 132.98 2d2w s TRP 77 Ca 0.16 0.09 0.05 0.00 -1.06 0.00 0.00 56.10 55.33 2d2w s TRP 77 Cb -0.08 -1.64 -0.03 0.00 -1.16 0.00 0.00 33.47 30.56 2d2w s TRP 77 CO -0.22 0.51 -0.12 -0.98 -4.06 0.00 0.00 176.95 172.08 2d2w s ARG 78 N -2.13 0.83 0.51 3.25 1.70 0.36 -0.86 118.95 122.61 2d2w s ARG 78 Ca 0.26 -1.05 -0.09 0.00 -0.47 0.00 0.00 55.73 54.39 2d2w s ARG 78 Cb -0.12 -0.69 -0.05 0.00 -0.57 0.00 0.00 34.95 33.52 2d2w s ARG 78 CO 0.18 0.14 0.87 -1.50 -1.08 0.00 0.00 175.30 173.91 2d2w s ILE 79 N -1.80 4.80 0.50 4.99 2.07 -1.19 -0.68 121.20 129.89 2d2w s ILE 79 Ca 0.01 0.55 -0.23 0.00 -1.41 0.00 0.00 60.65 59.58 2d2w s ILE 79 Cb -0.07 -3.83 -0.07 0.00 0.13 0.00 0.00 42.46 38.62 2d2w s ILE 79 CO 0.02 -0.87 1.32 0.47 -1.91 0.00 0.00 174.94 173.96 2d2w n ASP 80 N -2.19 2.62 0.07 4.50 8.00 -0.21 -4.85 116.55 124.49 2d2w n ASP 80 Ca 0.03 1.03 -0.09 0.00 0.71 0.00 0.00 54.79 56.46 2d2w n ASP 80 Cb 0.54 -1.55 -0.13 0.00 -0.02 0.00 0.00 41.12 39.97 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2d2w h PRO 81 N 1.70 0.07 0.00 -0.24 0.13 -1.94 -1.30 132.00 130.42 2d2w h PRO 81 Ca -0.50 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2d2w h PRO 81 Cb 1.30 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2d2w h PRO 81 CO 0.58 1.04 -0.44 0.00 -0.23 0.00 0.00 178.00 178.94 2d2w n ALA 82 N -2.41 2.98 0.44 -0.56 0.00 -1.26 -3.68 120.51 116.02 2d2w n ALA 82 Ca -0.03 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.23 2d2w n ALA 82 Cb 0.97 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.85 0.92 0.14 0.00 7.64 -1.23 -4.39 113.62 114.85 2d2w n SER 83 Ca 0.05 -0.61 0.09 0.00 1.01 0.00 0.00 58.87 59.41 2d2w n SER 83 Cb 0.39 1.12 0.50 0.00 -1.01 0.00 0.00 64.21 65.22 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 -1.42 0.12 0.02 1.43 2.13 -0.49 -0.44 120.64 121.98 2d2w n GLU 84 Ca 0.01 0.61 -0.03 0.00 0.66 0.00 0.00 57.16 58.41 2d2w n GLU 84 Cb 0.21 -1.93 -0.10 0.00 0.27 0.00 0.00 31.44 29.90 2d2w n GLU 84 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d2w h ALA 85 N 1.90 0.68 0.12 4.31 0.00 -1.79 -3.18 119.26 121.31 2d2w h ALA 85 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 54.91 53.53 2d2w h ALA 85 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2d2w h ALA 85 CO 0.00 1.16 -1.76 1.57 0.00 0.00 0.00 179.25 180.22 2d2w h LYS 86 N 0.00 0.26 0.34 0.00 5.09 -1.02 -3.31 116.57 117.93 2d2w h LYS 86 Ca -0.19 -0.44 -0.02 0.00 0.09 0.00 0.00 60.65 60.09 2d2w h LYS 86 Cb 1.73 0.17 0.00 0.00 0.10 0.00 0.00 32.23 34.23 2d2w h LYS 86 CO 0.06 1.12 -0.16 1.37 -2.09 0.00 0.00 179.45 179.75 2d2w h LEU 87 N 0.07 -0.39 -1.81 7.07 -0.00 -1.31 -2.84 115.31 116.11 2d2w h LEU 87 Ca -0.33 -0.17 0.38 0.00 -0.00 0.00 0.00 57.88 57.76 2d2w h LEU 87 Cb 2.04 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 42.75 2d2w h LEU 87 CO 0.13 0.03 1.05 -0.37 -0.00 0.00 0.00 178.44 179.28 2d2w h VAL 88 N -0.88 0.20 -0.31 0.15 -1.51 -1.73 0.15 116.25 112.32 2d2w h VAL 88 Ca -0.05 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.49 2d2w h VAL 88 Cb 0.53 0.24 -0.06 0.00 -2.13 0.00 0.00 31.29 29.86 2d2w h VAL 88 CO 0.08 0.00 -0.09 -0.33 -1.23 0.00 0.00 177.57 176.00 2d2w h GLU 89 N 0.00 -0.02 0.00 5.19 5.08 -1.58 0.33 114.58 123.59 2d2w h GLU 89 Ca 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 2d2w h GLU 89 Cb 2.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.97 2d2w h GLU 89 CO -0.01 -0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.03 2d2w n GLN 90 N -5.27 0.24 -0.06 2.33 6.02 0.46 -3.30 117.38 117.81 2d2w n GLN 90 Ca 0.00 0.23 -0.11 0.00 -0.01 0.00 0.00 57.00 57.11 2d2w n GLN 90 Cb 0.18 -1.80 0.03 0.00 1.02 0.00 0.00 30.24 29.68 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 2.52 0.68 -1.02 -1.58 0.00 0.18 -3.31 119.26 116.73 2d2w h ALA 91 Ca 0.00 -0.46 -0.76 0.00 0.00 0.00 0.00 54.91 53.69 2d2w h ALA 91 Cb 0.69 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.20 2d2w h ALA 91 CO 0.00 0.67 1.88 1.19 0.00 0.00 0.00 179.25 182.99 2d2w n PHE 92 N -4.03 2.76 -3.62 0.00 3.72 -0.32 -4.83 117.46 111.14 2d2w n PHE 92 Ca -0.02 -2.75 -0.04 0.00 -0.05 0.00 0.00 57.45 54.59 2d2w n PHE 92 Cb 0.55 -1.81 -0.03 0.00 -0.94 0.00 0.00 39.48 37.25 2d2w n PHE 92 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2d2w s ARG 93 N -0.41 0.21 0.65 -1.08 1.70 -1.25 -5.03 118.95 113.74 2d2w s ARG 93 Ca 0.40 -0.03 -0.11 0.00 -0.47 0.00 0.00 55.73 55.52 2d2w s ARG 93 Cb 0.10 0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2d2w s ARG 93 CO 0.00 -0.08 1.04 0.21 -1.08 0.00 0.00 175.30 175.39 2d2w s LYS 94 N -1.81 3.28 -0.02 3.89 2.20 -1.26 -5.03 119.74 120.98 2d2w s LYS 94 Ca 0.09 0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 56.26 2d2w s LYS 94 Cb -0.01 -2.08 0.01 0.00 -1.51 0.00 0.00 37.83 34.24 2d2w s LYS 94 CO -0.05 -0.74 0.05 0.50 -0.36 0.00 0.00 175.35 174.76 2d2w s ARG 95 N -5.22 0.06 0.38 4.03 3.52 -1.26 -5.13 118.95 115.32 2d2w s ARG 95 Ca 0.56 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 2d2w s ARG 95 Cb -0.11 0.02 0.07 0.00 -1.56 0.00 0.00 34.95 33.38 2d2w s ARG 95 CO 0.52 -0.01 0.51 0.54 -0.81 0.00 0.00 175.30 176.05 2d2w n ARG 96 N 3.09 0.26 -4.28 5.12 3.00 -1.26 -4.97 116.66 117.63 2d2w n ARG 96 Ca -0.13 -1.42 -0.33 0.00 -0.01 0.00 0.00 57.85 55.96 2d2w n ARG 96 Cb 0.59 -0.34 -0.16 0.00 0.00 0.00 0.00 32.46 32.56 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 -3.78 3.05 -0.49 5.56 -2.07 -1.26 -5.04 119.66 115.63 2d2w s GLN 97 Ca 0.34 -0.81 0.06 0.00 -1.82 0.00 0.00 55.36 53.13 2d2w s GLN 97 Cb -0.02 -2.58 0.18 0.00 -1.09 0.00 0.00 33.01 29.51 2d2w s GLN 97 CO 0.23 -0.14 0.65 0.50 -1.32 0.00 0.00 175.29 175.20 2d2w s ARG 98 N 1.15 1.01 0.38 9.60 3.52 -1.26 -4.95 118.95 128.39 2d2w s ARG 98 Ca 0.01 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 2d2w s ARG 98 Cb -0.14 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 2d2w s ARG 98 CO -0.08 -1.32 0.00 0.41 -0.81 0.00 0.00 175.30 173.49 2d2w n GLY 99 N 3.09 -1.02 0.10 8.12 0.00 -1.26 -4.93 105.19 109.29 2d2w n GLY 99 Ca 0.19 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 2d2w n GLY 99 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2d2w h VAL 100 N 0.00 1.35 0.00 1.61 2.07 -2.05 -3.58 116.25 115.65 2d2w h VAL 100 Ca 0.00 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.52 2d2w h VAL 100 Cb 0.00 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2d2w h VAL 100 CO 0.00 0.84 0.00 -0.24 0.02 0.00 0.00 177.57 178.19