#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 -4.25 -3.43 1.62 2.88 -1.26 -4.77 113.62 104.41 2d2w n SER 2 Ca 0.00 0.17 -0.21 0.00 -1.33 0.00 0.00 58.87 57.50 2d2w n SER 2 Cb 0.00 -2.67 -0.11 0.00 -0.75 0.00 0.00 64.21 60.69 2d2w n SER 2 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2d2w s LYS 3 N -1.80 0.36 1.00 -1.46 1.02 -1.26 -4.73 119.74 112.86 2d2w s LYS 3 Ca 0.08 -0.44 -0.16 0.00 0.02 0.00 0.00 55.97 55.47 2d2w s LYS 3 Cb -0.02 -0.84 0.21 0.00 -0.52 0.00 0.00 37.83 36.66 2d2w s LYS 3 CO 0.29 -1.07 1.29 -1.25 -0.92 0.00 0.00 175.35 173.69 2d2w s PRO 4 N 2.06 0.36 -1.29 -1.68 0.04 -1.26 -4.86 135.00 128.37 2d2w s PRO 4 Ca 0.11 -0.36 -0.09 0.00 0.04 0.00 0.00 61.00 60.71 2d2w s PRO 4 Cb -0.15 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 2d2w s PRO 4 CO -0.27 -2.61 2.95 -0.35 0.04 0.00 0.00 177.00 176.77 2d2w n PRO 5 N -3.92 3.24 -3.29 0.56 -0.04 -1.26 -4.73 135.00 125.56 2d2w n PRO 5 Ca 0.15 -1.92 -0.06 0.00 -0.04 0.00 0.00 63.50 61.64 2d2w n PRO 5 Cb 0.59 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.13 -1.09 1.08 0.54 1.51 -1.26 -4.47 117.35 115.79 2d2w s TYR 6 Ca 0.66 0.90 -0.22 0.00 -1.01 0.00 0.00 57.07 57.40 2d2w s TYR 6 Cb 0.19 0.11 -0.00 0.00 -0.11 0.00 0.00 41.96 42.15 2d2w s TYR 6 CO -0.05 -0.84 -0.53 0.43 -1.11 0.00 0.00 175.55 173.45 2d2w n SER 7 N 5.38 -2.64 -0.56 2.29 7.64 -1.26 -4.42 113.62 120.05 2d2w n SER 7 Ca -0.02 -0.07 0.04 0.00 1.01 0.00 0.00 58.87 59.83 2d2w n SER 7 Cb 0.50 -0.80 0.12 0.00 -1.01 0.00 0.00 64.21 63.02 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 -4.08 0.41 -0.04 1.43 4.01 -1.26 -1.03 117.16 116.60 2d2w n TYR 8 Ca -0.00 -0.19 -0.05 0.00 -0.16 0.00 0.00 57.90 57.50 2d2w n TYR 8 Cb 0.67 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.24 1.82 -0.03 -0.72 0.00 -1.26 -4.40 120.51 116.16 2d2w n ALA 9 Ca 0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 2d2w n ALA 9 Cb 0.28 0.23 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.58 0.67 -0.35 0.00 10.64 -1.24 -3.51 117.38 121.01 2d2w n GLN 10 Ca -0.14 0.24 0.08 0.00 -1.83 0.00 0.00 57.00 55.36 2d2w n GLN 10 Cb 0.68 -1.73 0.26 0.00 -0.86 0.00 0.00 30.24 28.59 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 0.01 0.89 -0.49 2.61 5.85 -1.29 0.24 115.31 123.13 2d2w h LEU 11 Ca -0.36 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 2d2w h LEU 11 Cb 2.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 2d2w h LEU 11 CO 0.07 0.46 -0.09 0.40 -0.34 0.00 0.00 178.44 178.94 2d2w h ILE 12 N 0.95 1.27 -0.19 4.05 1.08 -1.77 -2.84 117.51 120.07 2d2w h ILE 12 Ca 0.50 -1.22 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 2d2w h ILE 12 Cb 0.54 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.26 2d2w h ILE 12 CO -0.27 0.42 -0.40 0.58 -0.69 0.00 0.00 178.15 177.80 2d2w h VAL 13 N 0.79 0.17 -0.35 1.67 2.07 -0.59 0.55 116.25 120.56 2d2w h VAL 13 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2d2w h VAL 13 Cb 0.64 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2d2w h VAL 13 CO 0.04 0.00 0.25 1.56 0.02 0.00 0.00 177.57 179.44 2d2w h GLN 14 N -0.43 0.08 0.00 1.57 4.20 -1.35 0.34 115.11 119.52 2d2w h GLN 14 Ca 0.09 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2d2w h GLN 14 Cb 0.60 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2d2w h GLN 14 CO -0.42 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 177.79 2d2w n ALA 15 N -2.58 -0.05 -0.01 3.87 0.00 0.17 -2.17 120.51 119.74 2d2w n ALA 15 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 2d2w n ALA 15 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 1.17 -0.55 0.00 3.07 -0.85 0.34 117.51 120.68 2d2w h ILE 16 Ca 0.00 -0.50 0.09 0.00 1.55 0.00 0.00 64.86 65.99 2d2w h ILE 16 Cb 0.00 1.35 -0.07 0.00 -0.27 0.00 0.00 36.82 37.83 2d2w h ILE 16 CO 0.00 0.14 0.18 -1.28 -1.05 0.00 0.00 178.15 176.14 2d2w h SER 17 N -0.05 0.15 1.27 2.16 0.87 -0.45 0.84 113.55 118.34 2d2w h SER 17 Ca 0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2d2w h SER 17 Cb 0.20 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2d2w h SER 17 CO -0.00 0.10 -0.03 -0.24 -0.53 0.00 0.00 176.83 176.13 2d2w n SER 18 N -5.03 0.52 -3.10 6.23 2.88 -0.92 -4.67 113.62 109.52 2d2w n SER 18 Ca 0.07 0.52 -0.13 0.00 -1.33 0.00 0.00 58.87 58.00 2d2w n SER 18 Cb 0.25 -0.64 0.13 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.68 -2.30 -1.00 -1.46 0.00 0.12 -4.90 120.51 109.29 2d2w n ALA 19 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2d2w n ALA 19 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2d2w n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d2w n GLN 20 N -3.66 0.00 -0.00 0.00 1.13 -1.26 -4.48 117.38 109.11 2d2w n GLN 20 Ca 0.06 0.18 -0.00 0.00 -1.94 0.00 0.00 57.00 55.30 2d2w n GLN 20 Cb 0.26 -0.72 -0.00 0.00 0.11 0.00 0.00 30.24 29.90 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2d2w n ASP 21 N -0.39 0.03 0.00 1.08 -0.08 -1.26 -4.98 116.55 110.94 2d2w n ASP 21 Ca 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 2d2w n ASP 21 Cb 0.00 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 42.95 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 -2.30 0.00 -3.84 -0.67 1.85 -1.25 -4.80 116.66 105.65 2d2w n ARG 22 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2d2w n ARG 22 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 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 0.14 0.16 2.89 -2.07 -1.26 -3.11 119.66 116.41 2d2w s GLN 23 Ca 0.00 0.14 0.06 0.00 -1.82 0.00 0.00 55.36 53.74 2d2w s GLN 23 Cb 0.00 -0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 2d2w s GLN 23 CO 0.00 -0.16 -0.12 -0.51 -1.32 0.00 0.00 175.29 173.18 2d2w s LEU 24 N 1.12 2.51 0.88 2.60 1.43 -0.33 -4.83 118.68 122.06 2d2w s LEU 24 Ca -0.08 -0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 2d2w s LEU 24 Cb -0.13 -0.47 0.19 0.00 0.03 0.00 0.00 46.19 45.80 2d2w s LEU 24 CO -0.02 -0.25 1.21 0.42 0.23 0.00 0.00 176.35 177.93 2d2w s THR 25 N -2.97 2.02 0.25 5.49 -4.23 -1.26 0.10 115.64 115.04 2d2w s THR 25 Ca 0.16 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 2d2w s THR 25 Cb 0.00 -2.77 0.24 0.00 1.34 0.00 0.00 72.50 71.32 2d2w s THR 25 CO 0.03 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.27 2d2w h LEU 26 N -1.25 1.12 -3.92 4.79 6.46 -1.95 -1.38 115.31 119.18 2d2w h LEU 26 Ca -0.40 -0.05 -0.50 0.00 -0.12 0.00 0.00 57.88 56.80 2d2w h LEU 26 Cb 1.24 -0.28 -0.30 0.00 -0.73 0.00 0.00 40.66 40.59 2d2w h LEU 26 CO 0.36 0.84 0.64 -1.20 -0.62 0.00 0.00 178.44 178.45 2d2w n SER 27 N -4.37 3.73 -0.12 1.25 7.64 -1.26 -4.27 113.62 116.22 2d2w n SER 27 Ca 0.11 -3.55 -0.23 0.00 1.01 0.00 0.00 58.87 56.21 2d2w n SER 27 Cb 0.04 -0.83 -0.10 0.00 -1.01 0.00 0.00 64.21 62.32 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 -1.09 -0.37 0.36 0.23 0.00 -0.52 -4.14 105.19 99.67 2d2w n GLY 28 Ca 0.58 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.52 0.76 0.03 -0.61 2.10 -1.74 -0.25 117.51 117.28 2d2w h ILE 29 Ca -0.59 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.35 2d2w h ILE 29 Cb 1.67 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 2d2w h ILE 29 CO -0.26 0.00 -0.02 1.88 -1.08 0.00 0.00 178.15 178.68 2d2w h TYR 30 N 0.00 -0.04 0.00 2.19 0.05 -1.80 -1.48 116.97 115.89 2d2w h TYR 30 Ca 0.21 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 2d2w h TYR 30 Cb 0.85 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 2d2w h TYR 30 CO 0.00 0.53 -0.04 0.00 -1.05 0.00 0.00 178.16 177.59 2d2w h ALA 31 N 0.28 1.05 0.05 3.88 0.00 -1.53 -1.26 119.26 121.73 2d2w h ALA 31 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2d2w h ALA 31 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2d2w h ALA 31 CO 0.01 0.05 -0.02 1.25 0.00 0.00 0.00 179.25 180.54 2d2w h HIS 32 N 0.00 -0.06 -0.73 0.00 -0.00 -0.95 -3.30 115.15 110.11 2d2w h HIS 32 Ca -0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 2d2w h HIS 32 Cb 0.38 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 2d2w h HIS 32 CO 0.00 -0.04 0.47 0.97 -0.00 0.00 0.00 177.93 179.33 2d2w h ILE 33 N -0.46 1.12 0.00 6.26 -0.00 -1.31 -1.38 117.51 121.75 2d2w h ILE 33 Ca -0.01 -0.32 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 2d2w h ILE 33 Cb 0.05 0.12 0.00 0.00 -0.00 0.00 0.00 36.82 36.99 2d2w h ILE 33 CO 0.01 0.17 0.07 0.35 -0.00 0.00 0.00 178.15 178.75 2d2w n THR 34 N -4.63 1.16 0.03 2.19 -2.24 -0.48 -0.90 114.28 109.41 2d2w n THR 34 Ca 0.08 0.68 -0.05 0.00 -2.27 0.00 0.00 64.05 62.48 2d2w n THR 34 Cb 0.07 -1.68 -0.11 0.00 -2.10 0.00 0.00 70.33 66.52 2d2w n THR 34 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2d2w h LYS 35 N 0.00 0.00 0.00 -0.78 3.64 -1.32 -3.40 116.57 114.71 2d2w h LYS 35 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 2d2w h LYS 35 Cb 0.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2d2w h LYS 35 CO 0.00 0.56 -1.69 0.72 -2.27 0.00 0.00 179.45 176.76 2d2w n HIS 36 N -3.09 0.47 -2.67 1.91 8.25 -0.07 -4.89 115.22 115.12 2d2w n HIS 36 Ca -0.09 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2d2w n HIS 36 Cb 0.94 -0.95 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -2.47 3.66 -1.86 4.41 2.02 -0.52 -4.90 117.35 117.69 2d2w s TYR 37 Ca -0.32 1.67 0.29 0.00 -0.37 0.00 0.00 57.07 58.34 2d2w s TYR 37 Cb 0.09 -3.15 1.67 0.00 -0.40 0.00 0.00 41.96 40.17 2d2w s TYR 37 CO 0.49 -0.15 2.05 -0.35 -1.57 0.00 0.00 175.55 176.03 2d2w n PRO 38 N 3.60 0.79 -0.08 -1.71 -0.04 -1.26 -3.58 135.00 132.71 2d2w n PRO 38 Ca 0.05 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 2d2w n PRO 38 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 2d2w n PRO 38 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2d2w h TYR 39 N 0.00 0.00 -1.31 0.54 5.03 -1.92 -3.41 116.97 115.90 2d2w h TYR 39 Ca 0.00 0.00 -0.63 0.00 2.58 0.00 0.00 58.73 60.68 2d2w h TYR 39 Cb 0.07 0.00 -0.11 0.00 1.55 0.00 0.00 36.73 38.23 2d2w h TYR 39 CO 0.00 0.91 1.49 0.71 -1.32 0.00 0.00 178.16 179.95 2d2w s TYR 40 N -2.19 2.68 0.00 -3.82 2.02 -1.23 -4.53 117.35 110.28 2d2w s TYR 40 Ca -0.20 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 2d2w s TYR 40 Cb 0.02 -4.63 0.00 0.00 -0.40 0.00 0.00 41.96 36.95 2d2w s TYR 40 CO 0.49 -1.84 0.00 0.54 -1.57 0.00 0.00 175.55 173.17 2d2w n ARG 41 N 8.37 0.00 -0.20 -0.62 1.74 -1.26 -3.98 116.66 120.70 2d2w n ARG 41 Ca 0.34 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 2d2w n ARG 41 Cb 0.50 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.14 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 -2.01 0.65 -4.77 0.55 -2.24 -1.26 -4.93 114.28 100.27 2d2w n THR 42 Ca 0.00 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.69 2d2w n THR 42 Cb 0.00 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 68.90 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d2w s ALA 43 N -1.23 1.80 -0.00 6.98 0.00 -1.26 -4.99 121.76 123.06 2d2w s ALA 43 Ca 0.35 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2d2w s ALA 43 Cb 0.20 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2d2w s ALA 43 CO 0.27 0.42 0.16 -0.40 0.00 0.00 0.00 175.76 176.21 2d2w n ASP 44 N 2.03 -0.09 -3.64 0.00 5.68 -1.26 -4.72 116.55 114.55 2d2w n ASP 44 Ca -0.17 -0.31 -0.41 0.00 -0.50 0.00 0.00 54.79 53.40 2d2w n ASP 44 Cb 0.53 0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 40.54 2d2w n ASP 44 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2d2w n LYS 45 N -0.02 4.25 0.00 0.11 4.81 -1.26 -3.97 118.16 122.08 2d2w n LYS 45 Ca -0.02 -3.55 0.00 0.00 -0.87 0.00 0.00 58.31 53.87 2d2w n LYS 45 Cb 0.33 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.64 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d2w n GLY 46 N 2.07 -2.49 0.06 3.14 0.00 -1.26 -4.92 105.19 101.78 2d2w n GLY 46 Ca 0.52 0.83 0.04 0.00 0.00 0.00 0.00 46.02 47.41 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 -0.44 0.26 0.01 1.61 4.27 -1.26 -3.05 117.44 118.83 2d2w n TRP 47 Ca 0.00 0.14 -0.10 0.00 -3.89 0.00 0.00 57.50 53.64 2d2w n TRP 47 Cb 0.00 -0.72 -0.07 0.00 -1.36 0.00 0.00 31.31 29.17 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 -0.39 0.00 -2.67 5.75 -1.92 0.28 115.11 116.16 2d2w h GLN 48 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2d2w h GLN 48 Cb 0.01 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2d2w h GLN 48 CO 0.00 -0.26 0.00 -1.71 -2.65 0.00 0.00 178.83 174.21 2d2w n ASN 49 N -4.44 0.00 -0.06 -0.69 5.15 -1.17 -3.06 115.26 110.99 2d2w n ASN 49 Ca -0.04 0.48 -0.15 0.00 -0.60 0.00 0.00 54.58 54.27 2d2w n ASN 49 Cb 0.25 -0.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.95 2d2w n ASN 49 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2d2w h SER 50 N 0.00 0.72 0.15 1.20 0.87 -0.55 -2.92 113.55 113.03 2d2w h SER 50 Ca 0.00 -0.56 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 2d2w h SER 50 Cb 0.30 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2d2w h SER 50 CO 0.00 1.15 -0.07 0.40 -0.53 0.00 0.00 176.83 177.78 2d2w h ILE 51 N 0.33 0.92 -0.22 2.23 5.03 -1.16 0.17 117.51 124.81 2d2w h ILE 51 Ca 0.00 -0.30 0.06 0.00 -0.12 0.00 0.00 64.86 64.50 2d2w h ILE 51 Cb 1.05 1.10 -0.06 0.00 -3.03 0.00 0.00 36.82 35.88 2d2w h ILE 51 CO 0.10 0.07 -0.19 -0.09 -0.68 0.00 0.00 178.15 177.36 2d2w h ARG 52 N -0.35 -0.19 0.00 2.37 2.43 -1.68 -1.21 114.38 115.76 2d2w h ARG 52 Ca -0.02 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2d2w h ARG 52 Cb 0.27 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2d2w h ARG 52 CO 0.03 -0.13 -0.12 1.25 -1.51 0.00 0.00 179.97 179.50 2d2w h HIS 53 N -0.20 0.00 -0.21 2.20 2.76 -1.47 -3.18 115.15 115.05 2d2w h HIS 53 Ca 0.13 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.09 2d2w h HIS 53 Cb 0.39 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.36 2d2w h HIS 53 CO -0.34 0.12 -0.69 -0.91 -1.30 0.00 0.00 177.93 174.81 2d2w h ASN 54 N 0.00 0.97 0.24 3.26 2.35 0.47 -2.90 115.58 119.97 2d2w h ASN 54 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 2d2w h ASN 54 Cb 0.79 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2d2w h ASN 54 CO 0.02 1.39 0.00 0.18 -1.65 0.00 0.00 177.43 177.37 2d2w n LEU 55 N -3.97 0.00 0.04 1.61 4.77 -0.60 -1.41 117.00 117.44 2d2w n LEU 55 Ca -0.06 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 2d2w n LEU 55 Cb 0.70 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2d2w n LEU 55 CO 0.52 -0.26 -0.21 0.77 -1.33 0.00 0.00 177.39 176.88 2d2w h SER 56 N 0.00 0.00 0.00 -1.43 4.64 -1.61 -3.39 113.55 111.76 2d2w h SER 56 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2d2w h SER 56 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2d2w h SER 56 CO 0.00 0.64 -1.00 0.18 -0.87 0.00 0.00 176.83 175.78 2d2w n LEU 57 N -2.97 1.84 -4.46 5.97 4.32 -0.50 -4.93 117.00 116.28 2d2w n LEU 57 Ca -0.09 0.51 -0.43 0.00 -0.02 0.00 0.00 56.01 55.98 2d2w n LEU 57 Cb 0.86 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2d2w n LEU 57 CO 0.43 -0.04 0.10 0.59 -1.22 0.00 0.00 177.39 177.26 2d2w n ASN 58 N -4.50 -0.72 -0.09 -1.43 3.02 -0.67 -4.87 115.26 106.00 2d2w n ASN 58 Ca -0.22 0.96 0.12 0.00 -0.03 0.00 0.00 54.58 55.41 2d2w n ASN 58 Cb 0.51 -1.11 0.26 0.00 -0.61 0.00 0.00 39.78 38.83 2d2w n ASN 58 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2d2w n ARG 59 N 0.68 0.29 -0.06 3.52 0.00 -1.26 -4.14 116.66 115.69 2d2w n ARG 59 Ca 0.12 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.85 57.66 2d2w n ARG 59 Cb 0.37 -1.50 -0.14 0.00 -0.00 0.00 0.00 32.46 31.19 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 -1.20 0.61 -2.44 2.89 4.11 -1.26 -4.72 117.16 115.14 2d2w n TYR 60 Ca 0.08 0.18 -0.39 0.00 -0.00 0.00 0.00 57.90 57.76 2d2w n TYR 60 Cb 0.34 -1.10 -0.03 0.00 -0.00 0.00 0.00 39.34 38.55 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 -2.55 2.25 0.00 -3.48 0.08 -1.26 -0.24 117.98 112.79 2d2w s PHE 61 Ca -0.15 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 56.72 2d2w s PHE 61 Cb 0.07 -4.53 0.00 0.00 -0.57 0.00 0.00 43.02 37.99 2d2w s PHE 61 CO 0.78 -2.02 0.00 0.44 -0.10 0.00 0.00 175.22 174.32 2d2w n ILE 62 N 6.82 0.00 -4.73 0.64 -5.35 0.24 -4.74 119.36 112.25 2d2w n ILE 62 Ca 0.20 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.35 2d2w n ILE 62 Cb 0.50 -1.48 -0.13 0.00 -1.74 0.00 0.00 39.64 36.78 2d2w n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2d2w s LYS 63 N -1.84 3.02 -0.04 6.28 3.01 -1.26 -2.66 119.74 126.25 2d2w s LYS 63 Ca 0.00 -0.64 -0.23 0.00 -1.01 0.00 0.00 55.97 54.10 2d2w s LYS 63 Cb 0.00 -2.58 -0.17 0.00 -1.01 0.00 0.00 37.83 34.07 2d2w s LYS 63 CO 0.00 0.44 0.98 0.28 0.51 0.00 0.00 175.35 177.56 2d2w h VAL 64 N 4.81 0.94 -4.20 3.17 2.07 -1.56 -3.46 116.25 118.03 2d2w h VAL 64 Ca -0.37 -1.10 -0.45 0.00 0.82 0.00 0.00 66.70 65.59 2d2w h VAL 64 Cb 1.18 1.55 0.14 0.00 -1.52 0.00 0.00 31.29 32.64 2d2w h VAL 64 CO 0.54 0.23 0.36 -2.16 0.02 0.00 0.00 177.57 176.56 2d2w s PRO 65 N -3.68 0.95 0.13 1.57 0.04 -1.26 -4.98 135.00 127.77 2d2w s PRO 65 Ca -0.14 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.86 2d2w s PRO 65 Cb 0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2d2w s PRO 65 CO 0.52 -2.26 0.00 -2.13 0.04 0.00 0.00 177.00 173.17 2d2w n ARG 66 N -3.75 0.00 -1.18 4.56 0.63 -1.26 -4.99 116.66 110.68 2d2w n ARG 66 Ca 0.11 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2d2w n ARG 66 Cb 0.60 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.50 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 -2.84 0.20 -4.55 6.15 7.64 -1.26 -5.11 113.62 113.85 2d2w n SER 67 Ca 0.00 -1.94 -0.24 0.00 1.01 0.00 0.00 58.87 57.70 2d2w n SER 67 Cb 0.00 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 2d2w n SER 67 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2d2w s GLN 68 N 0.00 1.92 -0.81 1.43 -0.21 -1.26 -5.07 119.66 115.66 2d2w s GLN 68 Ca 0.18 -1.69 0.02 0.00 0.02 0.00 0.00 55.36 53.89 2d2w s GLN 68 Cb 0.20 -1.89 0.29 0.00 1.00 0.00 0.00 33.01 32.61 2d2w s GLN 68 CO -0.09 0.29 1.15 -0.85 -2.12 0.00 0.00 175.29 173.67 2d2w n GLU 69 N -0.76 3.63 -2.74 2.91 0.00 -1.26 -5.05 120.64 117.37 2d2w n GLU 69 Ca -0.05 -4.68 -0.34 0.00 0.00 0.00 0.00 57.16 52.09 2d2w n GLU 69 Cb 0.60 -2.36 -0.06 0.00 0.00 0.00 0.00 31.44 29.63 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2d2w s GLU 70 N -3.01 4.21 -0.05 3.44 0.41 -1.26 -5.00 118.70 117.43 2d2w s GLU 70 Ca 0.39 1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 55.88 2d2w s GLU 70 Cb 0.15 -2.30 -0.03 0.00 -1.78 0.00 0.00 34.13 30.17 2d2w s GLU 70 CO -0.01 -0.06 1.09 -1.25 -0.49 0.00 0.00 175.26 174.54 2d2w s PRO 71 N -2.94 4.42 0.00 0.39 0.04 -1.26 -4.85 135.00 130.80 2d2w s PRO 71 Ca 0.61 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2d2w s PRO 71 Cb -0.13 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.89 2d2w s PRO 71 CO 0.17 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2d2w n GLY 72 N 3.18 -0.21 0.75 0.56 0.00 -1.26 -5.07 105.19 103.13 2d2w n GLY 72 Ca 0.09 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.68 2d2w n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d2w n LYS 73 N 0.00 0.11 0.00 1.61 0.00 -1.26 -5.05 118.16 113.56 2d2w n LYS 73 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.35 2d2w n LYS 73 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 34.45 2d2w n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d2w n GLY 74 N 2.90 0.20 3.61 3.14 0.00 -1.26 -5.16 105.19 108.63 2d2w n GLY 74 Ca -0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2d2w n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d2w s SER 75 N -0.97 0.23 -0.15 1.61 1.04 -1.26 -5.09 113.70 109.10 2d2w s SER 75 Ca 0.00 -1.12 -0.06 0.00 0.48 0.00 0.00 55.95 55.25 2d2w s SER 75 Cb 0.00 0.66 0.07 0.00 0.10 0.00 0.00 66.02 66.85 2d2w s SER 75 CO 0.00 -1.29 0.32 0.12 0.98 0.00 0.00 173.24 173.37 2d2w s PHE 76 N -3.43 -0.56 0.51 5.02 2.19 -1.26 -4.68 117.98 115.78 2d2w s PHE 76 Ca 0.23 1.17 -0.11 0.00 0.33 0.00 0.00 56.93 58.55 2d2w s PHE 76 Cb -0.02 0.10 -0.06 0.00 -1.31 0.00 0.00 43.02 41.74 2d2w s PHE 76 CO 0.13 -0.39 0.91 -1.58 1.83 0.00 0.00 175.22 176.11 2d2w s TRP 77 N 2.38 3.53 0.08 10.12 0.52 0.11 -1.56 118.94 134.12 2d2w s TRP 77 Ca -0.01 1.19 -0.26 0.00 0.02 0.00 0.00 56.10 57.04 2d2w s TRP 77 Cb -0.12 -2.59 0.07 0.00 -1.15 0.00 0.00 33.47 29.68 2d2w s TRP 77 CO -0.10 -0.38 0.65 0.50 0.02 0.00 0.00 176.95 177.64 2d2w s ARG 78 N -4.45 1.17 0.25 4.98 3.00 -1.09 -1.18 118.95 121.63 2d2w s ARG 78 Ca 0.54 -0.23 0.10 0.00 -1.00 0.00 0.00 55.73 55.14 2d2w s ARG 78 Cb -0.10 0.54 -0.05 0.00 0.00 0.00 0.00 34.95 35.34 2d2w s ARG 78 CO 0.40 -0.47 -0.09 -1.50 0.00 0.00 0.00 175.30 173.64 2d2w s ILE 79 N -2.89 3.04 0.38 4.11 2.07 -1.18 0.83 121.20 127.57 2d2w s ILE 79 Ca -0.02 -2.02 -0.27 0.00 -1.41 0.00 0.00 60.65 56.92 2d2w s ILE 79 Cb -0.01 -2.59 -0.09 0.00 0.13 0.00 0.00 42.46 39.90 2d2w s ILE 79 CO -0.06 -0.32 1.29 -0.62 -1.91 0.00 0.00 174.94 173.33 2d2w s ASP 80 N -3.41 6.49 -0.00 4.50 2.15 0.66 -4.79 116.67 122.27 2d2w s ASP 80 Ca 0.29 2.64 -0.19 0.00 0.43 0.00 0.00 52.55 55.73 2d2w s ASP 80 Cb -0.07 -2.64 -0.33 0.00 -0.30 0.00 0.00 42.92 39.59 2d2w s ASP 80 CO 0.17 -0.73 0.97 1.55 -0.17 0.00 0.00 175.17 176.96 2d2w h PRO 81 N 2.92 0.45 0.00 4.34 0.13 -1.96 -0.63 132.00 137.24 2d2w h PRO 81 Ca -0.49 -0.73 0.00 0.00 -0.87 0.00 0.00 66.00 63.91 2d2w h PRO 81 Cb 1.24 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.63 2d2w h PRO 81 CO 0.64 1.34 0.00 0.00 -0.23 0.00 0.00 178.00 179.75 2d2w n ALA 82 N -2.69 2.11 0.37 -0.56 0.00 -1.26 -2.63 120.51 115.85 2d2w n ALA 82 Ca -0.15 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.24 2d2w n ALA 82 Cb 0.96 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.44 0.38 -0.01 0.00 7.64 -1.22 -4.61 113.62 114.37 2d2w n SER 83 Ca 0.07 -0.69 -0.10 0.00 1.01 0.00 0.00 58.87 59.16 2d2w n SER 83 Cb 0.25 0.99 -0.05 0.00 -1.01 0.00 0.00 64.21 64.39 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 0.05 -0.21 1.43 4.81 -0.86 0.62 114.58 120.45 2d2w h GLU 84 Ca 0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2d2w h GLU 84 Cb 0.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2d2w h GLU 84 CO 0.00 0.04 0.39 0.00 -0.73 0.00 0.00 179.01 178.70 2d2w h ALA 85 N 1.09 1.74 0.00 2.92 0.00 -1.82 -1.03 119.26 122.16 2d2w h ALA 85 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2d2w h ALA 85 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2d2w h ALA 85 CO -0.08 -0.50 -0.21 -0.22 0.00 0.00 0.00 179.25 178.25 2d2w h LYS 86 N 0.00 0.00 0.14 0.00 3.11 -1.22 -3.31 116.57 115.29 2d2w h LYS 86 Ca 0.10 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.95 2d2w h LYS 86 Cb 0.87 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.06 2d2w h LYS 86 CO -0.00 0.00 -0.51 1.37 -2.81 0.00 0.00 179.45 177.49 2d2w h LEU 87 N -0.95 -1.54 -1.95 5.20 -0.00 -0.75 0.09 115.31 115.42 2d2w h LEU 87 Ca 0.00 0.16 0.50 0.00 -0.00 0.00 0.00 57.88 58.55 2d2w h LEU 87 Cb 0.21 0.57 -0.07 0.00 -0.00 0.00 0.00 40.66 41.36 2d2w h LEU 87 CO 0.00 -0.56 1.28 -0.37 -0.00 0.00 0.00 178.44 178.79 2d2w h VAL 88 N -0.76 0.10 -0.24 0.15 -1.51 -1.41 0.18 116.25 112.77 2d2w h VAL 88 Ca -0.00 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.52 2d2w h VAL 88 Cb 0.76 0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 29.96 2d2w h VAL 88 CO -0.27 0.00 -0.14 -0.08 -1.23 0.00 0.00 177.57 175.85 2d2w h GLU 89 N 0.00 -0.12 0.00 5.19 4.81 -1.06 0.27 114.58 123.68 2d2w h GLU 89 Ca 0.83 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 60.06 2d2w h GLU 89 Cb 3.38 0.03 0.00 0.00 0.63 0.00 0.00 28.75 32.79 2d2w h GLU 89 CO -0.01 -0.08 0.00 0.94 -0.73 0.00 0.00 179.01 179.13 2d2w n GLN 90 N -5.30 0.14 -0.19 1.92 7.27 0.59 -3.39 117.38 118.42 2d2w n GLN 90 Ca -0.01 0.15 -0.07 0.00 0.07 0.00 0.00 57.00 57.14 2d2w n GLN 90 Cb 0.22 -1.68 0.03 0.00 2.41 0.00 0.00 30.24 31.22 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2d2w h ALA 91 N 2.69 0.69 0.00 1.69 0.00 0.08 -2.39 119.26 122.01 2d2w h ALA 91 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2d2w h ALA 91 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2d2w h ALA 91 CO 0.00 0.16 -0.48 1.19 0.00 0.00 0.00 179.25 180.12 2d2w n PHE 92 N -4.68 0.26 -1.69 0.00 3.72 -1.05 -4.87 117.46 109.15 2d2w n PHE 92 Ca 0.03 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 2d2w n PHE 92 Cb 0.04 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 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 -1.78 2.82 -2.77 -1.08 0.63 -0.90 -4.93 116.66 108.65 2d2w n ARG 93 Ca 0.05 1.03 -0.42 0.00 -0.92 0.00 0.00 57.85 57.58 2d2w n ARG 93 Cb 0.38 -2.93 -0.03 0.00 0.45 0.00 0.00 32.46 30.33 2d2w n ARG 93 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2d2w s LYS 94 N 2.91 4.32 0.29 -0.14 2.20 -1.26 -4.99 119.74 123.06 2d2w s LYS 94 Ca 0.83 1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 57.36 2d2w s LYS 94 Cb -0.47 -3.59 -0.10 0.00 -1.51 0.00 0.00 37.83 32.17 2d2w s LYS 94 CO 0.38 -0.41 1.11 1.03 -0.36 0.00 0.00 175.35 177.10 2d2w s ARG 95 N 2.42 4.58 -0.56 4.03 0.52 -1.26 -4.98 118.95 123.70 2d2w s ARG 95 Ca 0.43 1.82 0.06 0.00 -0.52 0.00 0.00 55.73 57.52 2d2w s ARG 95 Cb -0.17 -3.14 0.32 0.00 0.52 0.00 0.00 34.95 32.49 2d2w s ARG 95 CO 0.12 0.16 0.87 0.54 0.02 0.00 0.00 175.30 177.01 2d2w n ARG 96 N 1.08 2.76 -3.77 3.54 1.74 -1.26 -5.03 116.66 115.71 2d2w n ARG 96 Ca -0.01 -4.60 -0.36 0.00 -0.77 0.00 0.00 57.85 52.11 2d2w n ARG 96 Cb 0.45 -2.15 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 2d2w n ARG 96 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2d2w s GLN 97 N -3.08 3.58 0.00 5.56 -1.52 -1.26 -4.98 119.66 117.96 2d2w s GLN 97 Ca 0.46 -0.00 0.08 0.00 -1.95 0.00 0.00 55.36 53.95 2d2w s GLN 97 Cb 0.26 -3.16 0.06 0.00 -0.22 0.00 0.00 33.01 29.94 2d2w s GLN 97 CO -0.11 0.72 0.74 0.54 -0.25 0.00 0.00 175.29 176.94 2d2w n ARG 98 N 1.69 0.30 -0.07 2.91 1.74 -1.26 -4.63 116.66 117.34 2d2w n ARG 98 Ca -0.16 -0.96 -0.09 0.00 -0.77 0.00 0.00 57.85 55.87 2d2w n ARG 98 Cb 0.54 -1.15 -0.07 0.00 -1.02 0.00 0.00 32.46 30.77 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d2w n GLY 99 N 0.49 -0.21 3.49 -0.13 0.00 -1.26 -5.01 105.19 102.56 2d2w n GLY 99 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2d2w n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d2w s VAL 100 N -2.28 2.87 0.00 1.61 1.01 -1.26 -5.32 120.40 117.02 2d2w s VAL 100 Ca -0.18 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2d2w s VAL 100 Cb 0.05 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.11 2d2w s VAL 100 CO 0.33 0.10 0.00 -0.24 0.00 0.00 0.00 175.10 175.29