#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 2.49 -0.12 1.62 1.04 -1.26 -5.02 113.70 112.45 2d2w s SER 2 Ca 0.00 -0.42 -0.24 0.00 0.48 0.00 0.00 55.95 55.77 2d2w s SER 2 Cb 0.00 -1.06 -0.27 0.00 0.10 0.00 0.00 66.02 64.79 2d2w s SER 2 CO 0.00 -0.07 0.70 0.11 0.98 0.00 0.00 173.24 174.97 2d2w h LYS 3 N 8.00 0.11 -3.42 4.02 1.57 -2.03 -3.40 116.57 121.42 2d2w h LYS 3 Ca -0.35 -0.19 -0.77 0.00 -1.87 0.00 0.00 60.65 57.47 2d2w h LYS 3 Cb 1.14 0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.33 2d2w h LYS 3 CO 0.49 1.09 1.64 -0.35 -0.57 0.00 0.00 179.45 181.75 2d2w n PRO 4 N -4.37 3.83 0.07 3.15 -0.04 -1.26 -4.81 135.00 131.58 2d2w n PRO 4 Ca -0.16 -3.83 -0.09 0.00 -0.04 0.00 0.00 63.50 59.38 2d2w n PRO 4 Cb 0.65 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 2d2w n PRO 4 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2d2w h PRO 5 N 5.75 -0.26 -5.37 0.54 0.13 -2.02 -3.44 132.00 127.34 2d2w h PRO 5 Ca 0.34 0.02 -0.63 0.00 -0.87 0.00 0.00 66.00 64.86 2d2w h PRO 5 Cb 0.64 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 31.67 2d2w h PRO 5 CO 1.52 0.08 -0.58 0.71 -0.23 0.00 0.00 178.00 179.51 2d2w s TYR 6 N -3.14 3.23 1.00 1.56 2.02 -1.26 -4.65 117.35 116.11 2d2w s TYR 6 Ca -0.10 0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.50 2d2w s TYR 6 Cb 0.00 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2d2w s TYR 6 CO 0.37 0.19 -0.05 0.43 -1.57 0.00 0.00 175.55 174.92 2d2w n SER 7 N 3.32 -2.95 -2.35 2.29 7.64 -1.26 -4.53 113.62 115.77 2d2w n SER 7 Ca -0.17 0.17 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2d2w n SER 7 Cb 0.52 -1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 62.63 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 -3.58 1.18 0.00 1.43 4.01 -1.26 -1.78 117.16 117.16 2d2w n TYR 8 Ca 0.03 -1.82 0.00 0.00 -0.16 0.00 0.00 57.90 55.95 2d2w n TYR 8 Cb 0.58 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 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 1.28 0.43 0.01 -0.72 0.00 -1.26 -4.82 120.51 115.42 2d2w n ALA 9 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.84 2d2w n ALA 9 Cb 0.64 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.97 2d2w n ALA 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2d2w h GLN 10 N 0.00 0.00 -0.46 0.00 3.07 -1.89 -3.09 115.11 112.74 2d2w h GLN 10 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.85 2d2w h GLN 10 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 2d2w h GLN 10 CO 0.00 0.62 0.32 1.25 0.09 0.00 0.00 178.83 181.11 2d2w h LEU 11 N 0.00 0.11 0.01 0.06 5.85 -1.59 -0.95 115.31 118.81 2d2w h LEU 11 Ca -0.18 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2d2w h LEU 11 Cb 1.88 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.89 2d2w h LEU 11 CO 0.09 0.06 -0.01 0.40 -0.34 0.00 0.00 178.44 178.65 2d2w h ILE 12 N 0.12 1.52 -0.09 4.05 1.08 -1.79 -3.07 117.51 119.33 2d2w h ILE 12 Ca 0.21 -1.88 0.03 0.00 -0.39 0.00 0.00 64.86 62.84 2d2w h ILE 12 Cb 0.69 2.75 -0.06 0.00 -3.07 0.00 0.00 36.82 37.13 2d2w h ILE 12 CO -0.03 0.47 -0.53 0.58 -0.69 0.00 0.00 178.15 177.96 2d2w h VAL 13 N -0.86 0.02 -0.18 1.67 2.07 -1.13 0.62 116.25 118.45 2d2w h VAL 13 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2d2w h VAL 13 Cb 0.78 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2d2w h VAL 13 CO 0.00 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.21 2d2w h GLN 14 N -0.61 0.00 0.41 1.57 4.15 -1.44 0.59 115.11 119.78 2d2w h GLN 14 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2d2w h GLN 14 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.39 2d2w h GLN 14 CO -0.41 0.00 -0.20 0.00 -1.93 0.00 0.00 178.83 176.30 2d2w h ALA 15 N 1.72 -0.55 0.00 3.38 0.00 0.23 -2.84 119.26 121.20 2d2w h ALA 15 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2d2w h ALA 15 Cb 0.54 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2d2w h ALA 15 CO -0.00 -0.56 -0.70 -0.84 0.00 0.00 0.00 179.25 177.15 2d2w h ILE 16 N -1.05 0.74 -0.68 0.00 3.07 -0.32 -3.21 117.51 116.06 2d2w h ILE 16 Ca -0.06 -1.77 0.03 0.00 1.55 0.00 0.00 64.86 64.60 2d2w h ILE 16 Cb 0.52 1.61 -0.04 0.00 -0.27 0.00 0.00 36.82 38.64 2d2w h ILE 16 CO 0.09 0.25 0.43 -1.28 -1.05 0.00 0.00 178.15 176.59 2d2w h SER 17 N -1.00 0.71 0.15 2.16 0.87 -0.03 -0.86 113.55 115.54 2d2w h SER 17 Ca -0.16 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2d2w h SER 17 Cb 0.90 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2d2w h SER 17 CO -0.10 0.49 0.00 -1.54 -0.53 0.00 0.00 176.83 175.16 2d2w n SER 18 N -4.67 0.00 -4.88 6.23 3.41 -1.05 -4.77 113.62 107.89 2d2w n SER 18 Ca 0.07 -0.66 -0.30 0.00 -0.26 0.00 0.00 58.87 57.71 2d2w n SER 18 Cb 0.07 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 2d2w n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d2w s ALA 19 N -2.17 3.87 0.23 7.33 0.00 -0.33 -4.98 121.76 125.72 2d2w s ALA 19 Ca 0.38 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2d2w s ALA 19 Cb 0.19 -1.70 0.29 0.00 0.00 0.00 0.00 23.12 21.90 2d2w s ALA 19 CO 0.36 0.75 1.58 0.37 0.00 0.00 0.00 175.76 178.82 2d2w h GLN 20 N 2.96 -0.03 -5.57 0.00 4.15 -1.86 -3.33 115.11 111.42 2d2w h GLN 20 Ca -0.46 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.37 2d2w h GLN 20 Cb 1.17 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.76 2d2w h GLN 20 CO 0.72 -0.02 -0.02 -0.51 -1.93 0.00 0.00 178.83 177.07 2d2w s ASP 21 N -5.26 6.59 0.00 -0.69 1.01 -1.26 -4.92 116.67 112.14 2d2w s ASP 21 Ca -0.14 0.71 0.16 0.00 0.71 0.00 0.00 52.55 53.99 2d2w s ASP 21 Cb 0.21 -2.30 0.98 0.00 1.01 0.00 0.00 42.92 42.82 2d2w s ASP 21 CO 0.74 -0.19 1.40 0.54 0.21 0.00 0.00 175.17 177.87 2d2w n ARG 22 N 4.77 0.60 -4.54 8.23 1.74 -1.24 -4.60 116.66 121.61 2d2w n ARG 22 Ca -0.04 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.72 2d2w n ARG 22 Cb 0.50 -1.43 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.00 2.47 0.05 5.56 -2.07 -1.26 -3.05 119.66 119.35 2d2w s GLN 23 Ca 0.25 -0.76 0.01 0.00 -1.82 0.00 0.00 55.36 53.04 2d2w s GLN 23 Cb 0.11 -2.44 -0.03 0.00 -1.09 0.00 0.00 33.01 29.57 2d2w s GLN 23 CO 0.19 0.60 -0.05 -0.51 -1.32 0.00 0.00 175.29 174.20 2d2w s LEU 24 N -1.32 2.35 0.86 2.60 1.43 -0.10 -4.94 118.68 119.55 2d2w s LEU 24 Ca 0.16 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 2d2w s LEU 24 Cb -0.11 0.03 0.11 0.00 0.03 0.00 0.00 46.19 46.25 2d2w s LEU 24 CO 0.06 -0.37 1.20 0.42 0.23 0.00 0.00 176.35 177.89 2d2w s THR 25 N -2.37 1.99 0.26 5.49 -4.23 -1.26 -2.70 115.64 112.82 2d2w s THR 25 Ca -0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2d2w s THR 25 Cb -0.03 -2.95 0.27 0.00 1.34 0.00 0.00 72.50 71.12 2d2w s THR 25 CO -0.03 0.00 1.91 -0.07 -0.54 0.00 0.00 174.62 175.89 2d2w h LEU 26 N -1.26 1.09 -3.90 4.79 3.38 -1.97 -1.28 115.31 116.16 2d2w h LEU 26 Ca -0.46 -0.01 -0.48 0.00 0.09 0.00 0.00 57.88 57.02 2d2w h LEU 26 Cb 1.31 -0.25 -0.29 0.00 0.09 0.00 0.00 40.66 41.53 2d2w h LEU 26 CO 0.60 0.74 0.61 -1.20 0.09 0.00 0.00 178.44 179.28 2d2w n SER 27 N -4.44 3.80 -0.12 -0.43 7.64 -1.26 -4.30 113.62 114.50 2d2w n SER 27 Ca 0.14 -3.52 -0.22 0.00 1.01 0.00 0.00 58.87 56.27 2d2w n SER 27 Cb 0.10 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.38 2d2w n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d2w n GLY 28 N -1.01 -0.37 0.37 0.23 0.00 -0.48 -4.23 105.19 99.69 2d2w n GLY 28 Ca 0.56 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.50 0.87 -0.11 -0.61 2.10 -1.75 -0.75 117.51 116.76 2d2w h ILE 29 Ca -0.59 -0.21 -0.02 0.00 1.08 0.00 0.00 64.86 65.13 2d2w h ILE 29 Cb 1.67 0.21 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 2d2w h ILE 29 CO -0.25 0.11 0.00 1.88 -1.08 0.00 0.00 178.15 178.81 2d2w h TYR 30 N 0.60 0.22 0.00 2.19 0.05 -1.81 -1.95 116.97 116.27 2d2w h TYR 30 Ca 0.38 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.13 2d2w h TYR 30 Cb 0.65 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2d2w h TYR 30 CO -0.00 0.44 0.00 0.00 -1.05 0.00 0.00 178.16 177.55 2d2w h ALA 31 N 0.75 1.00 0.08 3.88 0.00 -1.52 -2.21 119.26 121.25 2d2w h ALA 31 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d2w h ALA 31 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2d2w h ALA 31 CO 0.01 0.00 -0.04 1.25 0.00 0.00 0.00 179.25 180.46 2d2w h HIS 32 N 0.00 -0.11 -0.40 0.00 -0.00 -0.44 -3.30 115.15 110.91 2d2w h HIS 32 Ca 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2d2w h HIS 32 Cb 0.33 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 2d2w h HIS 32 CO 0.00 -0.07 0.26 -0.84 -0.00 0.00 0.00 177.93 177.29 2d2w h ILE 33 N -0.64 1.08 -0.13 6.26 -0.00 -1.43 -1.37 117.51 121.28 2d2w h ILE 33 Ca -0.01 -0.17 0.04 0.00 -0.00 0.00 0.00 64.86 64.71 2d2w h ILE 33 Cb 0.09 0.53 -0.01 0.00 -0.00 0.00 0.00 36.82 37.44 2d2w h ILE 33 CO 0.02 0.09 0.18 0.71 -0.00 0.00 0.00 178.15 179.15 2d2w h THR 34 N 0.50 0.37 -0.65 0.16 1.35 -1.52 0.23 112.91 113.35 2d2w h THR 34 Ca 0.15 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.05 2d2w h THR 34 Cb -0.00 0.85 -0.05 0.00 -1.73 0.00 0.00 68.15 67.23 2d2w h THR 34 CO -0.03 0.00 0.39 0.50 -0.25 0.00 0.00 175.52 176.13 2d2w h LYS 35 N 0.00 0.73 -0.02 4.72 1.63 -1.32 -2.51 116.57 119.81 2d2w h LYS 35 Ca 0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2d2w h LYS 35 Cb 0.41 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2d2w h LYS 35 CO -0.00 0.48 -0.35 0.72 -3.45 0.00 0.00 179.45 176.85 2d2w n HIS 36 N -4.73 0.00 -3.71 1.91 8.25 -0.50 -4.74 115.22 111.70 2d2w n HIS 36 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 2d2w n HIS 36 Cb 0.11 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.12 1.87 -0.02 4.41 1.51 0.71 -4.94 117.35 118.77 2d2w s TYR 37 Ca 0.17 -2.22 0.21 0.00 -1.01 0.00 0.00 57.07 54.23 2d2w s TYR 37 Cb 0.16 -1.81 0.60 0.00 -0.11 0.00 0.00 41.96 40.80 2d2w s TYR 37 CO 0.46 -0.81 1.69 -1.00 -1.11 0.00 0.00 175.55 174.77 2d2w h PRO 38 N 7.11 0.00 0.00 -1.71 0.13 -1.84 -2.86 132.00 132.83 2d2w h PRO 38 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2d2w h PRO 38 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2d2w h PRO 38 CO 0.46 0.28 -0.02 -0.92 -0.23 0.00 0.00 178.00 177.58 2d2w h TYR 39 N 0.00 0.00 -1.11 1.56 3.20 -1.92 -3.10 116.97 115.61 2d2w h TYR 39 Ca -0.00 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.28 2d2w h TYR 39 Cb 0.97 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 39.08 2d2w h TYR 39 CO 0.00 0.02 1.09 0.66 -1.64 0.00 0.00 178.16 178.29 2d2w n TYR 40 N -3.14 1.95 0.00 -3.82 4.02 -1.08 -3.99 117.16 111.10 2d2w n TYR 40 Ca -0.01 -2.25 0.00 0.00 -0.01 0.00 0.00 57.90 55.64 2d2w n TYR 40 Cb 0.25 -1.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.03 2d2w n TYR 40 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2d2w n ARG 41 N 1.16 0.00 -2.48 -0.72 1.74 -1.17 -4.76 116.66 110.43 2d2w n ARG 41 Ca 0.54 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.42 2d2w n ARG 41 Cb 0.44 -0.44 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2d2w n THR 42 N -1.15 1.93 0.00 0.55 -2.24 -1.26 -4.93 114.28 107.20 2d2w n THR 42 Ca 0.00 -4.13 0.00 0.00 -2.27 0.00 0.00 64.05 57.65 2d2w n THR 42 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.42 0.64 -2.99 6.98 0.00 -1.26 -5.13 120.51 118.33 2d2w n ALA 43 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 2d2w n ALA 43 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 0.07 -0.16 -0.31 0.00 1.01 -1.26 -5.03 116.67 110.99 2d2w s ASP 44 Ca 0.00 -0.47 -0.01 0.00 0.71 0.00 0.00 52.55 52.78 2d2w s ASP 44 Cb 0.00 0.48 0.21 0.00 1.01 0.00 0.00 42.92 44.62 2d2w s ASP 44 CO 0.00 -0.90 2.02 0.29 0.21 0.00 0.00 175.17 176.80 2d2w n LYS 45 N -0.23 1.79 0.02 8.23 5.02 -1.26 -4.51 118.16 127.22 2d2w n LYS 45 Ca -0.13 -1.53 -0.01 0.00 -2.02 0.00 0.00 58.31 54.61 2d2w n LYS 45 Cb 0.63 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 2d2w n LYS 45 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2d2w h GLY 46 N 2.54 -0.08 1.65 0.72 0.00 -2.02 -3.25 103.07 102.63 2d2w h GLY 46 Ca 0.28 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2d2w h GLY 46 CO 0.75 -0.03 0.00 -2.67 0.00 0.00 0.00 176.54 174.58 2d2w n TRP 47 N -2.73 0.00 0.30 5.60 4.27 -1.26 -2.40 117.44 121.21 2d2w n TRP 47 Ca -0.01 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.48 2d2w n TRP 47 Cb 0.03 -0.32 -0.06 0.00 -1.36 0.00 0.00 31.31 29.60 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 -0.75 -0.06 -2.67 7.50 -1.84 -1.11 115.11 116.18 2d2w h GLN 48 Ca 0.00 0.05 -0.14 0.00 0.50 0.00 0.00 58.65 59.06 2d2w h GLN 48 Cb 0.06 0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.74 2d2w h GLN 48 CO 0.00 -0.50 -0.61 -0.91 -1.50 0.00 0.00 178.83 175.31 2d2w h ASN 49 N -0.96 0.24 -0.65 1.46 2.35 -1.64 -3.05 115.58 113.33 2d2w h ASN 49 Ca -0.08 -0.14 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2d2w h ASN 49 Cb 0.60 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2d2w h ASN 49 CO 0.13 0.79 0.36 -1.28 -1.65 0.00 0.00 177.43 175.78 2d2w h SER 50 N 0.16 0.53 0.06 5.81 0.87 -1.49 -1.67 113.55 117.82 2d2w h SER 50 Ca -0.01 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2d2w h SER 50 Cb 1.11 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2d2w h SER 50 CO 0.09 0.35 -0.03 0.40 -0.53 0.00 0.00 176.83 177.11 2d2w h ILE 51 N 0.67 1.01 -0.67 2.23 5.03 -1.10 0.21 117.51 124.88 2d2w h ILE 51 Ca 0.29 -0.23 0.14 0.00 -0.12 0.00 0.00 64.86 64.94 2d2w h ILE 51 Cb 0.17 1.15 -0.11 0.00 -3.03 0.00 0.00 36.82 35.01 2d2w h ILE 51 CO -0.18 0.06 0.07 -0.09 -0.68 0.00 0.00 178.15 177.33 2d2w h ARG 52 N -0.18 0.17 0.00 2.37 2.43 -1.33 0.35 114.38 118.18 2d2w h ARG 52 Ca -0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2d2w h ARG 52 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2d2w h ARG 52 CO 0.01 0.11 -0.22 1.25 -1.51 0.00 0.00 179.97 179.62 2d2w h HIS 53 N 0.18 0.00 -0.17 2.20 2.76 -1.02 -3.20 115.15 115.90 2d2w h HIS 53 Ca 0.36 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.36 2d2w h HIS 53 Cb 0.60 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 2d2w h HIS 53 CO -0.33 0.22 -0.59 -0.91 -1.30 0.00 0.00 177.93 175.02 2d2w h ASN 54 N 0.00 0.62 0.56 3.26 2.35 0.29 -2.75 115.58 119.91 2d2w h ASN 54 Ca -0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2d2w h ASN 54 Cb 0.94 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2d2w h ASN 54 CO 0.03 1.07 0.00 0.18 -1.65 0.00 0.00 177.43 177.06 2d2w n LEU 55 N -3.94 0.00 -0.09 1.61 4.77 -0.48 -1.38 117.00 117.49 2d2w n LEU 55 Ca -0.04 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2d2w n LEU 55 Cb 0.63 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2d2w n LEU 55 CO 0.48 -0.11 -0.48 -0.24 -1.33 0.00 0.00 177.39 175.70 2d2w n SER 56 N -1.39 1.84 0.08 -1.43 2.88 -1.05 -3.92 113.62 110.63 2d2w n SER 56 Ca 0.08 0.53 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 2d2w n SER 56 Cb 0.21 -0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 62.75 2d2w n SER 56 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2d2w h LEU 57 N -1.00 0.30 -8.06 2.46 8.10 -1.59 -3.45 115.31 112.08 2d2w h LEU 57 Ca -0.17 -0.25 -0.73 0.00 0.11 0.00 0.00 57.88 56.84 2d2w h LEU 57 Cb 0.90 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 40.98 2d2w h LEU 57 CO -0.10 1.05 1.38 0.59 -4.11 0.00 0.00 178.44 177.25 2d2w n ASN 58 N -3.67 0.86 0.28 0.17 5.03 -0.48 -4.70 115.26 112.74 2d2w n ASN 58 Ca -0.04 0.59 0.16 0.00 0.87 0.00 0.00 54.58 56.16 2d2w n ASN 58 Cb 0.81 -0.95 0.86 0.00 -1.02 0.00 0.00 39.78 39.48 2d2w n ASN 58 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2d2w h ARG 59 N 9.78 0.00 0.00 3.52 0.11 -1.89 -1.19 114.38 124.72 2d2w h ARG 59 Ca -0.11 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.72 2d2w h ARG 59 Cb 1.40 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.43 2d2w h ARG 59 CO 1.12 0.00 -2.20 2.48 0.10 0.00 0.00 179.97 181.47 2d2w n TYR 60 N -2.70 0.00 -2.92 4.08 4.11 -1.26 -4.93 117.16 113.54 2d2w n TYR 60 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.53 2d2w n TYR 60 Cb 0.18 -0.81 -0.06 0.00 -0.00 0.00 0.00 39.34 38.65 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 -2.73 3.54 0.18 -3.48 0.08 -0.45 0.11 117.98 115.24 2d2w s PHE 61 Ca -0.09 1.57 -0.03 0.00 0.12 0.00 0.00 56.93 58.50 2d2w s PHE 61 Cb 0.08 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 2d2w s PHE 61 CO 0.80 0.14 0.17 0.96 -0.10 0.00 0.00 175.22 177.19 2d2w s ILE 62 N -1.79 0.04 -0.00 0.64 -4.36 -0.59 -4.67 121.20 110.46 2d2w s ILE 62 Ca 0.52 -1.84 0.08 0.00 -0.26 0.00 0.00 60.65 59.15 2d2w s ILE 62 Cb -0.15 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 2d2w s ILE 62 CO 0.19 -0.16 -0.24 -0.75 0.24 0.00 0.00 174.94 174.22 2d2w s LYS 63 N -4.09 1.87 0.80 0.37 2.47 -1.26 -2.40 119.74 117.50 2d2w s LYS 63 Ca 0.30 -0.91 -0.11 0.00 -1.56 0.00 0.00 55.97 53.69 2d2w s LYS 63 Cb 0.06 -1.87 0.07 0.00 -1.46 0.00 0.00 37.83 34.63 2d2w s LYS 63 CO 0.07 0.50 1.09 0.14 0.16 0.00 0.00 175.35 177.32 2d2w s VAL 64 N -0.63 3.20 0.80 4.02 -7.23 -1.07 -4.96 120.40 114.53 2d2w s VAL 64 Ca 0.10 0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 60.54 2d2w s VAL 64 Cb -0.09 -2.90 0.07 0.00 0.56 0.00 0.00 36.38 34.02 2d2w s VAL 64 CO -0.00 -0.51 1.11 -2.16 -0.31 0.00 0.00 175.10 173.23 2d2w s PRO 65 N -4.93 2.09 0.00 4.82 0.04 -1.26 -4.93 135.00 130.83 2d2w s PRO 65 Ca 0.61 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2d2w s PRO 65 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2d2w s PRO 65 CO 0.56 -1.59 0.00 -2.13 0.04 0.00 0.00 177.00 173.89 2d2w n ARG 66 N -3.39 0.32 -0.10 4.56 0.63 -1.26 -5.03 116.66 112.39 2d2w n ARG 66 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2d2w n ARG 66 Cb 0.57 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.48 2d2w n ARG 66 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2d2w n SER 67 N -0.14 0.00 -3.95 6.15 7.64 -1.26 -5.04 113.62 117.02 2d2w n SER 67 Ca 0.00 -0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 2d2w n SER 67 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 3.21 -1.53 1.43 7.27 -1.26 -4.89 117.38 121.61 2d2w n GLN 68 Ca 0.00 -3.12 0.00 0.00 0.07 0.00 0.00 57.00 53.95 2d2w n GLN 68 Cb 0.00 -3.17 0.00 0.00 2.41 0.00 0.00 30.24 29.48 2d2w n GLN 68 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2d2w n GLU 69 N 5.56 1.04 0.00 3.69 0.28 -1.26 -5.07 120.64 124.88 2d2w n GLU 69 Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 2d2w n GLU 69 Cb 0.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.26 2d2w n GLU 69 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2d2w n GLU 70 N 0.00 0.00 0.00 3.44 1.02 -1.26 -4.93 120.64 118.91 2d2w n GLU 70 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2d2w n GLU 70 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 2d2w n GLU 70 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2d2w n PRO 71 N 0.00 0.90 0.00 3.49 -0.04 -1.26 -4.53 135.00 133.57 2d2w n PRO 71 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2d2w n PRO 71 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.46 -2.04 0.42 0.55 0.00 -1.26 -5.01 105.19 98.32 2d2w n GLY 72 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -1.78 1.61 5.02 -1.26 -5.17 118.16 116.58 2d2w n LYS 73 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 2d2w n LYS 73 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 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 1.74 1.60 3.98 0.72 0.00 -1.26 -5.14 105.19 106.83 2d2w n GLY 74 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 2d2w n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d2w s SER 75 N -1.54 5.13 -0.20 1.61 0.15 -1.26 -5.11 113.70 112.49 2d2w s SER 75 Ca 0.04 -0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.43 2d2w s SER 75 Cb -0.01 -0.70 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2d2w s SER 75 CO 0.03 -1.25 0.51 0.12 1.20 0.00 0.00 173.24 173.84 2d2w s PHE 76 N -2.81 -0.61 0.23 3.44 2.19 -1.26 -4.34 117.98 114.82 2d2w s PHE 76 Ca 0.59 1.42 -0.05 0.00 0.33 0.00 0.00 56.93 59.22 2d2w s PHE 76 Cb -0.09 0.24 -0.02 0.00 -1.31 0.00 0.00 43.02 41.83 2d2w s PHE 76 CO 0.39 -0.30 0.29 1.67 1.83 0.00 0.00 175.22 179.10 2d2w s TRP 77 N 0.55 0.86 0.15 10.12 1.48 -1.10 -2.58 118.94 128.42 2d2w s TRP 77 Ca -0.02 -1.13 -0.13 0.00 -1.06 0.00 0.00 56.10 53.76 2d2w s TRP 77 Cb -0.04 -0.24 0.01 0.00 -1.16 0.00 0.00 33.47 32.04 2d2w s TRP 77 CO -0.03 -0.82 0.37 1.03 -4.06 0.00 0.00 176.95 173.44 2d2w s ARG 78 N -4.01 1.15 0.95 3.25 0.52 -1.01 -0.92 118.95 118.88 2d2w s ARG 78 Ca 0.32 -0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 54.45 2d2w s ARG 78 Cb 0.03 0.44 0.19 0.00 0.52 0.00 0.00 34.95 36.13 2d2w s ARG 78 CO 0.12 -0.44 1.31 0.96 0.02 0.00 0.00 175.30 177.27 2d2w s ILE 79 N -3.88 2.00 0.59 1.52 -4.36 -1.17 -1.54 121.20 114.36 2d2w s ILE 79 Ca 0.09 -0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.31 2d2w s ILE 79 Cb 0.02 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 2d2w s ILE 79 CO -0.06 0.00 1.09 -1.81 0.24 0.00 0.00 174.94 174.40 2d2w s ASP 80 N -4.86 5.63 -0.13 4.36 1.11 0.30 -4.72 116.67 118.35 2d2w s ASP 80 Ca 0.73 1.97 -0.24 0.00 0.18 0.00 0.00 52.55 55.19 2d2w s ASP 80 Cb -0.04 -2.55 -0.22 0.00 1.07 0.00 0.00 42.92 41.17 2d2w s ASP 80 CO 0.53 -1.28 0.65 1.55 1.18 0.00 0.00 175.17 177.80 2d2w h PRO 81 N 0.62 -0.00 -0.01 8.23 0.13 -1.95 -3.02 132.00 136.01 2d2w h PRO 81 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2d2w h PRO 81 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d2w h PRO 81 CO 0.56 0.84 -0.07 0.00 -0.23 0.00 0.00 178.00 179.10 2d2w n ALA 82 N -2.64 2.72 0.48 -0.56 0.00 -1.26 -3.34 120.51 115.91 2d2w n ALA 82 Ca -0.08 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.12 2d2w n ALA 82 Cb 0.40 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.70 1.83 -0.02 0.00 7.64 -1.26 -4.49 113.62 116.62 2d2w n SER 83 Ca 0.17 -1.41 0.04 0.00 1.01 0.00 0.00 58.87 58.68 2d2w n SER 83 Cb 0.26 0.09 0.41 0.00 -1.01 0.00 0.00 64.21 63.97 2d2w n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2d2w h GLU 84 N 2.07 0.57 0.00 1.43 4.11 -1.53 0.66 114.58 121.89 2d2w h GLU 84 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2d2w h GLU 84 Cb 0.46 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2d2w h GLU 84 CO 0.00 0.38 -0.13 0.00 0.07 0.00 0.00 179.01 179.33 2d2w h ALA 85 N 1.73 1.08 0.00 1.06 0.00 -1.82 -2.08 119.26 119.23 2d2w h ALA 85 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2d2w h ALA 85 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2d2w h ALA 85 CO -0.04 0.17 -0.62 -0.22 0.00 0.00 0.00 179.25 178.54 2d2w h LYS 86 N 0.00 0.00 -0.14 0.00 1.63 -1.23 -3.33 116.57 113.50 2d2w h LYS 86 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2d2w h LYS 86 Cb 0.54 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 2d2w h LYS 86 CO 0.02 0.53 -0.15 1.37 -3.45 0.00 0.00 179.45 177.76 2d2w h LEU 87 N -1.00 -0.48 -1.87 5.20 -0.00 -1.17 -0.28 115.31 115.72 2d2w h LEU 87 Ca -0.13 0.09 0.22 0.00 -0.00 0.00 0.00 57.88 58.07 2d2w h LEU 87 Cb 0.80 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 2d2w h LEU 87 CO -0.08 -0.20 0.68 -0.37 -0.00 0.00 0.00 178.44 178.48 2d2w h VAL 88 N -0.18 0.37 -0.69 0.15 -1.51 -1.56 0.15 116.25 112.97 2d2w h VAL 88 Ca 0.10 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.67 2d2w h VAL 88 Cb 0.33 0.49 -0.07 0.00 -2.13 0.00 0.00 31.29 29.90 2d2w h VAL 88 CO -0.25 0.00 0.31 -0.08 -1.23 0.00 0.00 177.57 176.32 2d2w h GLU 89 N 0.00 0.51 0.00 5.19 4.81 -1.14 0.33 114.58 124.28 2d2w h GLU 89 Ca 0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2d2w h GLU 89 Cb 1.72 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.99 2d2w h GLU 89 CO -0.00 0.33 -0.01 1.96 -0.73 0.00 0.00 179.01 180.56 2d2w h GLN 90 N 0.52 0.00 -0.40 1.92 1.08 -1.09 -3.07 115.11 114.07 2d2w h GLN 90 Ca 0.35 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.46 2d2w h GLN 90 Cb 0.41 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2d2w h GLN 90 CO -0.30 0.00 -0.10 0.00 -0.95 0.00 0.00 178.83 177.48 2d2w h ALA 91 N 2.35 1.08 0.01 3.87 0.00 -0.10 -3.31 119.26 123.16 2d2w h ALA 91 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 2d2w h ALA 91 Cb 0.83 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2d2w h ALA 91 CO 0.00 0.57 -1.40 1.19 0.00 0.00 0.00 179.25 179.61 2d2w n PHE 92 N -4.18 1.00 -2.26 0.00 3.72 -0.92 -4.75 117.46 110.06 2d2w n PHE 92 Ca 0.01 0.40 -0.43 0.00 -0.05 0.00 0.00 57.45 57.39 2d2w n PHE 92 Cb 0.34 -1.10 -0.02 0.00 -0.94 0.00 0.00 39.48 37.76 2d2w n PHE 92 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2d2w s ARG 93 N -2.39 3.51 0.00 -1.08 0.52 -1.16 -4.88 118.95 113.47 2d2w s ARG 93 Ca -0.29 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 2d2w s ARG 93 Cb 0.06 -4.07 0.00 0.00 0.52 0.00 0.00 34.95 31.46 2d2w s ARG 93 CO 0.61 -1.65 0.00 1.17 0.02 0.00 0.00 175.30 175.45 2d2w n LYS 94 N 8.18 0.00 -3.97 3.54 3.00 -1.26 -4.77 118.16 122.87 2d2w n LYS 94 Ca 0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.14 2d2w n LYS 94 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.42 2d2w n LYS 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2d2w s ARG 95 N 3.59 3.78 -0.30 1.64 1.81 -1.26 -5.07 118.95 123.15 2d2w s ARG 95 Ca 0.00 -0.28 -0.11 0.00 -1.72 0.00 0.00 55.73 53.62 2d2w s ARG 95 Cb 0.00 -3.20 0.15 0.00 -0.45 0.00 0.00 34.95 31.45 2d2w s ARG 95 CO 0.00 0.44 0.81 0.50 -0.68 0.00 0.00 175.30 176.37 2d2w s ARG 96 N -0.09 0.44 0.21 3.54 3.52 -1.26 -5.05 118.95 120.25 2d2w s ARG 96 Ca 0.08 1.05 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 2d2w s ARG 96 Cb -0.12 0.63 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 2d2w s ARG 96 CO 0.01 -0.20 0.00 0.94 -0.81 0.00 0.00 175.30 175.24 2d2w n GLN 97 N 5.25 0.00 -3.87 5.12 7.27 -1.26 -5.03 117.38 124.86 2d2w n GLN 97 Ca -0.09 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.69 2d2w n GLN 97 Cb 0.51 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.03 2d2w n GLN 97 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2d2w s ARG 98 N -2.00 2.17 -0.29 3.69 3.52 -1.26 -5.04 118.95 119.74 2d2w s ARG 98 Ca 0.00 -3.00 -0.26 0.00 -0.13 0.00 0.00 55.73 52.34 2d2w s ARG 98 Cb 0.00 -3.21 0.19 0.00 -1.56 0.00 0.00 34.95 30.37 2d2w s ARG 98 CO 0.00 -1.24 1.40 0.20 -0.81 0.00 0.00 175.30 174.86 2d2w s GLY 99 N -0.94 0.27 -0.49 8.12 0.00 -1.26 -5.12 107.32 107.91 2d2w s GLY 99 Ca 0.23 3.32 0.05 0.00 0.00 0.00 0.00 44.72 48.32 2d2w s GLY 99 CO -0.11 1.74 0.84 1.55 0.00 0.00 0.00 173.10 177.12 2d2w n VAL 100 N 1.36 0.00 -0.84 1.40 3.14 -1.26 -5.13 118.33 117.00 2d2w n VAL 100 Ca -0.08 -1.08 0.00 0.00 -2.96 0.00 0.00 64.34 60.22 2d2w n VAL 100 Cb 0.57 1.14 0.00 0.00 -1.06 0.00 0.00 33.84 34.49 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17