#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 -0.47 -3.24 1.62 7.64 -1.26 -5.09 113.62 112.82 2d2w n SER 2 Ca 0.00 -1.47 -0.14 0.00 1.01 0.00 0.00 58.87 58.28 2d2w n SER 2 Cb 0.00 0.83 -0.06 0.00 -1.01 0.00 0.00 64.21 63.97 2d2w n SER 2 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2d2w s LYS 3 N -2.13 0.79 -0.13 1.43 2.47 -1.26 -5.01 119.74 115.90 2d2w s LYS 3 Ca 0.06 -1.00 0.10 0.00 -1.56 0.00 0.00 55.97 53.56 2d2w s LYS 3 Cb -0.01 -0.59 0.51 0.00 -1.46 0.00 0.00 37.83 36.28 2d2w s LYS 3 CO 0.04 -1.25 1.30 -0.35 0.16 0.00 0.00 175.35 175.26 2d2w n PRO 4 N 3.82 3.31 -0.06 4.03 -0.04 -1.26 -4.52 135.00 140.29 2d2w n PRO 4 Ca 0.15 -1.97 -0.12 0.00 -0.04 0.00 0.00 63.50 61.52 2d2w n PRO 4 Cb 0.49 -1.91 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 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 2.57 -0.01 -4.68 0.54 0.13 -1.95 -3.42 132.00 125.18 2d2w h PRO 5 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 2d2w h PRO 5 Cb 1.34 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.28 2d2w h PRO 5 CO 0.27 0.82 0.06 0.71 -0.23 0.00 0.00 178.00 179.64 2d2w s TYR 6 N -2.31 3.04 1.09 1.56 1.51 -1.26 -3.33 117.35 117.64 2d2w s TYR 6 Ca -0.16 -0.90 -0.21 0.00 -1.01 0.00 0.00 57.07 54.78 2d2w s TYR 6 Cb -0.02 -3.87 0.03 0.00 -0.11 0.00 0.00 41.96 37.99 2d2w s TYR 6 CO 0.60 -1.20 -0.40 0.43 -1.11 0.00 0.00 175.55 173.87 2d2w n SER 7 N 6.17 -2.53 -0.47 2.29 7.64 -1.26 -4.43 113.62 121.03 2d2w n SER 7 Ca -0.09 -0.11 0.06 0.00 1.01 0.00 0.00 58.87 59.74 2d2w n SER 7 Cb 0.43 -0.83 0.21 0.00 -1.01 0.00 0.00 64.21 63.00 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 -4.22 0.30 -0.03 1.43 4.01 -1.26 -0.79 117.16 116.60 2d2w n TYR 8 Ca -0.00 -0.15 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 2d2w n TYR 8 Cb 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.22 1.86 -0.02 -0.72 0.00 -1.26 -4.30 120.51 116.28 2d2w n ALA 9 Ca 0.11 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.11 2d2w n ALA 9 Cb 0.24 0.18 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.33 0.63 -0.17 0.00 0.00 -1.23 -3.21 117.38 111.07 2d2w n GLN 10 Ca -0.10 0.30 0.04 0.00 -0.00 0.00 0.00 57.00 57.23 2d2w n GLN 10 Cb 0.67 -1.79 0.32 0.00 0.00 0.00 0.00 30.24 29.44 2d2w n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2d2w h LEU 11 N 0.00 0.72 -0.11 1.69 5.85 -1.17 -0.84 115.31 121.44 2d2w h LEU 11 Ca -0.29 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2d2w h LEU 11 Cb 2.02 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 2d2w h LEU 11 CO 0.08 0.50 -0.06 0.40 -0.34 0.00 0.00 178.44 179.02 2d2w h ILE 12 N 0.83 1.32 -0.27 4.05 1.08 -1.75 -2.18 117.51 120.59 2d2w h ILE 12 Ca 0.27 -1.08 0.08 0.00 -0.39 0.00 0.00 64.86 63.74 2d2w h ILE 12 Cb 0.05 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.59 2d2w h ILE 12 CO -0.07 0.31 0.45 0.58 -0.69 0.00 0.00 178.15 178.73 2d2w h VAL 13 N -0.11 0.21 0.13 1.67 2.07 -1.16 1.03 116.25 120.09 2d2w h VAL 13 Ca 0.03 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.24 2d2w h VAL 13 Cb 0.51 0.61 0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2d2w h VAL 13 CO 0.02 0.00 -1.27 -0.61 0.02 0.00 0.00 177.57 175.73 2d2w h GLN 14 N 0.00 0.62 0.85 1.57 4.15 -0.69 -3.02 115.11 118.60 2d2w h GLN 14 Ca 0.13 -0.85 -0.04 0.00 0.77 0.00 0.00 58.65 58.66 2d2w h GLN 14 Cb 1.03 0.28 0.01 0.00 0.21 0.00 0.00 27.48 29.01 2d2w h GLN 14 CO -0.00 1.39 -0.44 0.00 -1.93 0.00 0.00 178.83 177.85 2d2w h ALA 15 N 0.28 -1.19 0.00 3.38 0.00 0.14 -2.54 119.26 119.33 2d2w h ALA 15 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2d2w h ALA 15 Cb 1.94 0.49 0.00 0.00 0.00 0.00 0.00 17.79 20.23 2d2w h ALA 15 CO 0.24 -1.17 0.00 -0.84 0.00 0.00 0.00 179.25 177.48 2d2w h ILE 16 N -1.18 0.00 0.00 0.00 -0.00 -1.48 -1.82 117.51 113.04 2d2w h ILE 16 Ca -0.11 -0.21 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 2d2w h ILE 16 Cb 0.92 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 38.73 2d2w h ILE 16 CO 0.17 0.00 0.00 -1.20 -0.00 0.00 0.00 178.15 177.12 2d2w n SER 17 N -2.59 0.52 -0.01 2.16 7.64 -0.96 -0.56 113.62 119.82 2d2w n SER 17 Ca 0.00 0.74 0.10 0.00 1.01 0.00 0.00 58.87 60.71 2d2w n SER 17 Cb 0.18 -0.81 -0.15 0.00 -1.01 0.00 0.00 64.21 62.42 2d2w n SER 17 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d2w n SER 18 N -2.19 0.50 -4.73 6.43 2.88 -0.68 -4.93 113.62 110.90 2d2w n SER 18 Ca -0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 2d2w n SER 18 Cb 0.04 1.89 -0.03 0.00 -0.75 0.00 0.00 64.21 65.36 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 -3.36 3.71 0.20 -1.46 0.00 0.28 -4.87 121.76 116.26 2d2w s ALA 19 Ca -0.07 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 2d2w s ALA 19 Cb 0.13 -3.59 0.18 0.00 0.00 0.00 0.00 23.12 19.83 2d2w s ALA 19 CO 0.82 -0.75 1.59 0.37 0.00 0.00 0.00 175.76 177.79 2d2w h GLN 20 N 6.28 -0.11 0.00 0.00 4.15 -1.90 -3.32 115.11 120.22 2d2w h GLN 20 Ca -0.43 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2d2w h GLN 20 Cb 1.21 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2d2w h GLN 20 CO 0.87 -0.07 0.00 -3.47 -1.93 0.00 0.00 178.83 174.23 2d2w n ASP 21 N -5.45 0.00 0.00 -0.69 2.03 -1.26 -5.01 116.55 106.16 2d2w n ASP 21 Ca 0.06 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2d2w n ASP 21 Cb 0.37 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2d2w n ASP 21 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2d2w n ARG 22 N -1.13 0.00 -3.67 -0.67 0.00 -1.25 -5.00 116.66 104.93 2d2w n ARG 22 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 2d2w n ARG 22 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.35 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 0.00 0.25 0.43 2.89 -2.07 -1.26 -2.93 119.66 116.98 2d2w s GLN 23 Ca 0.00 0.84 0.07 0.00 -1.82 0.00 0.00 55.36 54.45 2d2w s GLN 23 Cb 0.00 0.10 -0.03 0.00 -1.09 0.00 0.00 33.01 31.98 2d2w s GLN 23 CO 0.00 -0.24 0.26 -0.51 -1.32 0.00 0.00 175.29 173.48 2d2w s LEU 24 N 2.24 3.13 0.79 2.60 2.01 -0.05 -4.83 118.68 124.58 2d2w s LEU 24 Ca -0.02 -1.01 -0.12 0.00 0.01 0.00 0.00 54.13 52.99 2d2w s LEU 24 Cb -0.11 -1.58 0.07 0.00 0.01 0.00 0.00 46.19 44.58 2d2w s LEU 24 CO -0.11 -0.65 1.15 0.42 1.01 0.00 0.00 176.35 178.18 2d2w s THR 25 N -2.59 2.39 0.29 5.49 -4.23 -1.26 -1.25 115.64 114.48 2d2w s THR 25 Ca 0.42 0.13 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 2d2w s THR 25 Cb 0.01 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 71.05 2d2w s THR 25 CO 0.24 -0.16 1.83 0.25 -0.54 0.00 0.00 174.62 176.23 2d2w h LEU 26 N -1.00 0.89 -3.98 4.79 6.46 -1.95 0.12 115.31 120.63 2d2w h LEU 26 Ca -0.46 0.06 -0.66 0.00 -0.12 0.00 0.00 57.88 56.70 2d2w h LEU 26 Cb 1.31 -0.12 -0.29 0.00 -0.73 0.00 0.00 40.66 40.84 2d2w h LEU 26 CO 0.65 0.44 0.85 -1.20 -0.62 0.00 0.00 178.44 178.56 2d2w n SER 27 N -4.65 7.51 -0.13 1.25 7.64 -1.26 -4.37 113.62 119.62 2d2w n SER 27 Ca 0.20 -3.76 -0.23 0.00 1.01 0.00 0.00 58.87 56.10 2d2w n SER 27 Cb 0.41 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.53 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 -0.88 -0.38 0.37 0.23 0.00 0.03 -4.22 105.19 100.33 2d2w n GLY 28 Ca 0.62 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.47 0.88 -0.29 -0.61 2.10 -1.76 0.12 117.51 117.48 2d2w h ILE 29 Ca -0.61 -0.23 -0.03 0.00 1.08 0.00 0.00 64.86 65.07 2d2w h ILE 29 Cb 1.72 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.58 2d2w h ILE 29 CO -0.25 0.12 0.06 1.88 -1.08 0.00 0.00 178.15 178.89 2d2w h TYR 30 N 0.68 0.49 0.00 2.19 0.05 -1.84 -1.52 116.97 117.02 2d2w h TYR 30 Ca 0.40 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.12 2d2w h TYR 30 Cb 0.61 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2d2w h TYR 30 CO -0.00 0.55 0.00 0.00 -1.05 0.00 0.00 178.16 177.66 2d2w h ALA 31 N 0.89 1.00 -0.71 3.88 0.00 -1.44 -2.73 119.26 120.15 2d2w h ALA 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2d2w h ALA 31 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2d2w h ALA 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.83 2d2w n HIS 32 N -2.72 0.00 -0.12 0.00 -0.00 0.30 -3.62 115.22 109.06 2d2w n HIS 32 Ca 0.02 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.90 2d2w n HIS 32 Cb 0.34 -0.38 0.54 0.00 -0.00 0.00 0.00 29.99 30.48 2d2w n HIS 32 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 2d2w h ILE 33 N 0.00 0.80 -0.44 3.57 -0.00 -1.45 -0.63 117.51 119.35 2d2w h ILE 33 Ca 0.00 -0.12 0.07 0.00 -0.00 0.00 0.00 64.86 64.82 2d2w h ILE 33 Cb 0.00 0.43 -0.02 0.00 -0.00 0.00 0.00 36.82 37.23 2d2w h ILE 33 CO 0.00 0.06 0.30 0.71 -0.00 0.00 0.00 178.15 179.22 2d2w h THR 34 N 0.34 0.92 -0.53 0.16 1.35 -1.63 0.54 112.91 114.06 2d2w h THR 34 Ca 0.34 -0.10 -0.12 0.00 -0.55 0.00 0.00 66.41 65.98 2d2w h THR 34 Cb 0.84 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 2d2w h THR 34 CO -0.09 0.05 -0.12 0.50 -0.25 0.00 0.00 175.52 175.61 2d2w h LYS 35 N 0.28 1.01 -0.02 4.72 3.11 -1.17 -2.91 116.57 121.60 2d2w h LYS 35 Ca 0.20 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2d2w h LYS 35 Cb 0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2d2w h LYS 35 CO -0.04 1.06 -0.10 0.72 -2.81 0.00 0.00 179.45 178.28 2d2w n HIS 36 N -4.14 0.00 -3.85 1.91 8.25 -0.54 -4.76 115.22 112.08 2d2w n HIS 36 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.18 2d2w n HIS 36 Cb 0.41 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.35 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 1.84 -0.97 4.41 1.51 0.18 -4.97 117.35 117.22 2d2w s TYR 37 Ca 0.29 -1.40 0.23 0.00 -1.01 0.00 0.00 57.07 55.18 2d2w s TYR 37 Cb 0.20 -1.37 0.97 0.00 -0.11 0.00 0.00 41.96 41.65 2d2w s TYR 37 CO 0.37 -0.71 1.73 -0.35 -1.11 0.00 0.00 175.55 175.49 2d2w n PRO 38 N 4.82 0.02 0.00 -1.71 -0.04 -1.26 -3.01 135.00 133.83 2d2w n PRO 38 Ca -0.10 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2d2w n PRO 38 Cb 0.45 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 2d2w n PRO 38 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2d2w n TYR 39 N -1.56 0.96 1.28 0.54 4.19 -1.26 -3.89 117.16 117.42 2d2w n TYR 39 Ca 0.05 0.34 0.13 0.00 3.31 0.00 0.00 57.90 61.73 2d2w n TYR 39 Cb 0.27 -1.13 0.39 0.00 0.49 0.00 0.00 39.34 39.36 2d2w n TYR 39 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2d2w n TYR 40 N -2.96 0.00 1.06 2.98 4.01 -1.16 -3.80 117.16 117.29 2d2w n TYR 40 Ca -0.14 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.63 2d2w n TYR 40 Cb 0.95 -0.09 0.09 0.00 -0.31 0.00 0.00 39.34 39.98 2d2w n TYR 40 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2d2w n ARG 41 N -0.46 1.66 0.00 -0.72 1.85 -1.18 -4.22 116.66 113.59 2d2w n ARG 41 Ca 0.13 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 2d2w n ARG 41 Cb 0.36 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 2d2w n ARG 41 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2d2w n THR 42 N 0.10 0.00 -2.66 8.89 5.66 -1.25 -5.06 114.28 119.96 2d2w n THR 42 Ca 0.07 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2d2w n THR 42 Cb 0.29 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.17 2d2w n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d2w n ALA 43 N 0.00 -3.52 -2.20 1.79 0.00 -1.25 -5.07 120.51 110.26 2d2w n ALA 43 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 2d2w n ALA 43 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 19.45 16.08 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 -0.10 5.66 0.00 0.00 -4.77 -1.26 -4.82 116.67 111.38 2d2w s ASP 44 Ca 0.22 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.76 2d2w s ASP 44 Cb 0.26 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.55 2d2w s ASP 44 CO -0.15 -2.08 0.37 0.29 0.70 0.00 0.00 175.17 174.30 2d2w n LYS 45 N 9.03 0.00 -2.68 2.11 4.76 -1.26 -4.83 118.16 125.29 2d2w n LYS 45 Ca 0.16 0.37 -0.03 0.00 -2.87 0.00 0.00 58.31 55.94 2d2w n LYS 45 Cb 0.50 -1.08 0.13 0.00 -1.84 0.00 0.00 35.03 32.74 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d2w n GLY 46 N 0.84 1.92 0.00 0.72 0.00 -1.26 -4.92 105.19 102.49 2d2w n GLY 46 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.36 0.00 0.05 1.61 4.27 -1.26 -4.20 117.44 116.54 2d2w n TRP 47 Ca -0.15 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.43 2d2w n TRP 47 Cb 0.87 -0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.81 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 -0.16 0.00 -2.67 1.08 -1.92 0.23 115.11 111.67 2d2w h GLN 48 Ca 0.00 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 2d2w h GLN 48 Cb 0.09 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2d2w h GLN 48 CO 0.00 -0.10 -0.50 -0.91 -0.95 0.00 0.00 178.83 176.36 2d2w h ASN 49 N -0.16 0.00 0.03 1.46 4.21 -2.00 -2.79 115.58 116.33 2d2w h ASN 49 Ca -0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 2d2w h ASN 49 Cb 0.13 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2d2w h ASN 49 CO 0.00 0.50 -0.01 -1.28 -1.29 0.00 0.00 177.43 175.36 2d2w h SER 50 N 0.00 0.00 0.53 5.81 0.87 -1.69 -2.04 113.55 117.03 2d2w h SER 50 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2d2w h SER 50 Cb 0.98 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2d2w h SER 50 CO 0.07 0.01 -0.25 0.40 -0.53 0.00 0.00 176.83 176.52 2d2w h ILE 51 N 0.00 0.00 -0.80 2.23 5.03 -0.65 0.22 117.51 123.53 2d2w h ILE 51 Ca -0.00 -0.42 0.15 0.00 -0.12 0.00 0.00 64.86 64.47 2d2w h ILE 51 Cb 0.03 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 33.72 2d2w h ILE 51 CO 0.00 0.00 0.37 -0.09 -0.68 0.00 0.00 178.15 177.75 2d2w h ARG 52 N -1.13 0.51 0.00 2.37 2.43 -1.62 0.42 114.38 117.36 2d2w h ARG 52 Ca -0.07 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2d2w h ARG 52 Cb 0.55 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2d2w h ARG 52 CO 0.12 0.34 -0.40 1.25 -1.51 0.00 0.00 179.97 179.77 2d2w h HIS 53 N 0.52 0.00 0.00 2.20 2.76 -1.37 -2.58 115.15 116.68 2d2w h HIS 53 Ca 0.44 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.51 2d2w h HIS 53 Cb 0.66 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 2d2w h HIS 53 CO -0.13 0.40 -0.51 -0.91 -1.30 0.00 0.00 177.93 175.48 2d2w h ASN 54 N 0.00 0.00 0.53 3.26 2.35 0.31 -2.30 115.58 119.73 2d2w h ASN 54 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2d2w h ASN 54 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2d2w h ASN 54 CO 0.05 0.51 0.00 0.18 -1.65 0.00 0.00 177.43 176.52 2d2w n LEU 55 N -3.84 0.00 -0.09 1.61 4.77 -0.38 -0.81 117.00 118.26 2d2w n LEU 55 Ca -0.01 0.46 -0.22 0.00 -0.03 0.00 0.00 56.01 56.21 2d2w n LEU 55 Cb 0.54 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 41.05 2d2w n LEU 55 CO 0.40 -0.20 -0.62 -0.24 -1.33 0.00 0.00 177.39 175.41 2d2w n SER 56 N -1.46 1.91 0.07 -1.43 2.88 -0.87 -4.29 113.62 110.43 2d2w n SER 56 Ca 0.05 0.38 0.12 0.00 -1.33 0.00 0.00 58.87 58.09 2d2w n SER 56 Cb 0.18 -0.94 0.24 0.00 -0.75 0.00 0.00 64.21 62.94 2d2w n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d2w n LEU 57 N -4.27 0.71 -4.73 2.46 4.32 -1.19 -4.89 117.00 109.41 2d2w n LEU 57 Ca -0.33 0.31 -0.33 0.00 -0.02 0.00 0.00 56.01 55.64 2d2w n LEU 57 Cb 0.75 -0.22 0.09 0.00 -1.62 0.00 0.00 43.42 42.42 2d2w n LEU 57 CO 0.22 -0.08 0.75 0.20 -1.22 0.00 0.00 177.39 177.26 2d2w s ASN 58 N -4.25 4.31 0.06 -1.43 0.02 0.01 -4.94 114.94 108.73 2d2w s ASN 58 Ca 0.08 2.16 0.17 0.00 -1.02 0.00 0.00 52.86 54.25 2d2w s ASN 58 Cb 0.13 -2.57 -0.13 0.00 0.02 0.00 0.00 41.25 38.70 2d2w s ASN 58 CO 0.69 -2.17 0.81 0.54 0.02 0.00 0.00 177.10 176.98 2d2w n ARG 59 N -2.96 0.62 -2.13 -0.60 1.74 -1.26 -4.26 116.66 107.81 2d2w n ARG 59 Ca 0.12 0.20 -0.28 0.00 -0.77 0.00 0.00 57.85 57.12 2d2w n ARG 59 Cb 0.51 -1.80 0.02 0.00 -1.02 0.00 0.00 32.46 30.18 2d2w n ARG 59 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2d2w n TYR 60 N -2.85 3.10 -3.41 -1.55 4.11 -1.26 -4.82 117.16 110.47 2d2w n TYR 60 Ca -0.09 -2.68 -0.19 0.00 -0.00 0.00 0.00 57.90 54.94 2d2w n TYR 60 Cb 0.82 -0.44 -0.10 0.00 -0.00 0.00 0.00 39.34 39.63 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 -3.65 -0.30 0.28 -3.48 0.08 -1.26 -2.72 117.98 106.94 2d2w s PHE 61 Ca 0.51 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 57.18 2d2w s PHE 61 Cb 0.42 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 2d2w s PHE 61 CO -0.11 -0.92 0.20 0.96 -0.10 0.00 0.00 175.22 175.25 2d2w s ILE 62 N 2.06 3.95 -0.03 0.64 -4.36 0.73 -4.48 121.20 119.72 2d2w s ILE 62 Ca 0.12 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.09 2d2w s ILE 62 Cb -0.15 -3.24 -0.01 0.00 1.25 0.00 0.00 42.46 40.31 2d2w s ILE 62 CO -0.25 -0.29 -0.21 -0.75 0.24 0.00 0.00 174.94 173.68 2d2w s LYS 63 N -3.87 1.88 0.05 0.37 2.20 -1.26 -1.55 119.74 117.56 2d2w s LYS 63 Ca 0.35 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.89 2d2w s LYS 63 Cb -0.07 -1.75 -0.07 0.00 -1.51 0.00 0.00 37.83 34.44 2d2w s LYS 63 CO 0.25 0.42 1.52 0.14 -0.36 0.00 0.00 175.35 177.31 2d2w s VAL 64 N -0.36 3.31 0.00 4.02 -7.23 -1.18 -4.95 120.40 114.00 2d2w s VAL 64 Ca 0.04 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 2d2w s VAL 64 Cb -0.10 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.34 2d2w s VAL 64 CO 0.00 0.01 0.02 -0.81 -0.31 0.00 0.00 175.10 174.01 2d2w n PRO 65 N 5.22 0.00 -1.66 4.82 -0.04 -1.26 -4.70 135.00 137.38 2d2w n PRO 65 Ca 0.14 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2d2w n PRO 65 Cb 0.42 -0.40 0.02 0.00 -0.04 0.00 0.00 33.50 33.50 2d2w n PRO 65 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2d2w n ARG 66 N -0.37 0.26 -0.79 0.54 1.74 -1.26 -4.90 116.66 111.88 2d2w n ARG 66 Ca 0.00 -2.11 -0.12 0.00 -0.77 0.00 0.00 57.85 54.85 2d2w n ARG 66 Cb 0.00 -0.17 0.03 0.00 -1.02 0.00 0.00 32.46 31.30 2d2w n ARG 66 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2d2w n SER 67 N 0.28 6.14 -4.35 0.55 2.88 -1.26 -4.86 113.62 112.99 2d2w n SER 67 Ca 0.03 -2.90 -0.18 0.00 -1.33 0.00 0.00 58.87 54.49 2d2w n SER 67 Cb 1.06 -1.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.35 2d2w n SER 67 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2d2w s GLN 68 N -1.36 1.38 -0.49 -1.46 2.00 -1.26 -5.11 119.66 113.35 2d2w s GLN 68 Ca 0.23 -1.69 0.03 0.00 -2.00 0.00 0.00 55.36 51.93 2d2w s GLN 68 Cb 0.18 -0.75 0.13 0.00 0.80 0.00 0.00 33.01 33.37 2d2w s GLN 68 CO -0.00 -0.05 0.26 -1.83 -0.50 0.00 0.00 175.29 173.16 2d2w s GLU 69 N -3.82 1.74 -0.01 1.67 -1.05 -1.26 -5.07 118.70 110.90 2d2w s GLU 69 Ca 0.28 -2.42 -0.17 0.00 -0.15 0.00 0.00 54.97 52.51 2d2w s GLU 69 Cb 0.05 -2.97 0.03 0.00 -0.44 0.00 0.00 34.13 30.80 2d2w s GLU 69 CO 0.09 -1.13 0.35 -1.83 0.95 0.00 0.00 175.26 173.69 2d2w s GLU 70 N -0.09 0.75 -0.08 -4.83 -1.05 -1.26 -5.08 118.70 107.06 2d2w s GLU 70 Ca 0.17 -0.20 -0.04 0.00 -0.15 0.00 0.00 54.97 54.75 2d2w s GLU 70 Cb -0.25 0.33 -0.02 0.00 -0.44 0.00 0.00 34.13 33.75 2d2w s GLU 70 CO -0.00 -0.22 0.18 -1.00 0.95 0.00 0.00 175.26 175.17 2d2w h PRO 71 N 3.62 -0.15 -7.12 -4.83 0.13 -2.06 -3.46 132.00 118.13 2d2w h PRO 71 Ca -0.30 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.45 2d2w h PRO 71 Cb 1.18 0.03 0.21 0.00 0.13 0.00 0.00 31.00 32.55 2d2w h PRO 71 CO 0.41 -0.10 -0.05 0.20 -0.23 0.00 0.00 178.00 178.23 2d2w s GLY 72 N -3.33 1.46 0.92 1.56 0.00 -1.26 -5.00 107.32 101.67 2d2w s GLY 72 Ca -0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 2d2w s GLY 72 CO 0.07 0.19 1.20 0.54 0.00 0.00 0.00 173.10 175.10 2d2w s LYS 73 N -5.07 1.06 0.00 2.90 1.02 -1.26 -5.08 119.74 113.31 2d2w s LYS 73 Ca 0.69 0.00 -0.29 0.00 0.02 0.00 0.00 55.97 56.39 2d2w s LYS 73 Cb -0.14 -1.86 0.11 0.00 -0.52 0.00 0.00 37.83 35.43 2d2w s LYS 73 CO 0.58 -2.20 1.25 0.20 -0.92 0.00 0.00 175.35 174.27 2d2w s GLY 74 N -4.44 -0.35 -0.27 -3.33 0.00 -1.26 -5.10 107.32 92.57 2d2w s GLY 74 Ca 0.67 0.53 -0.28 0.00 0.00 0.00 0.00 44.72 45.63 2d2w s GLY 74 CO 0.52 0.91 1.33 -1.35 0.00 0.00 0.00 173.10 174.51 2d2w s SER 75 N -3.10 -0.09 -0.19 1.64 1.04 -1.26 -5.13 113.70 106.61 2d2w s SER 75 Ca 0.16 0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.67 2d2w s SER 75 Cb 0.03 0.11 0.09 0.00 0.10 0.00 0.00 66.02 66.36 2d2w s SER 75 CO -0.03 -0.07 0.35 0.12 0.98 0.00 0.00 173.24 174.60 2d2w s PHE 76 N -0.71 -0.67 0.05 5.02 2.19 -1.26 -4.81 117.98 117.79 2d2w s PHE 76 Ca 0.07 1.12 -0.26 0.00 0.33 0.00 0.00 56.93 58.20 2d2w s PHE 76 Cb -0.02 0.10 -0.05 0.00 -1.31 0.00 0.00 43.02 41.73 2d2w s PHE 76 CO -0.09 -0.51 0.79 -1.58 1.83 0.00 0.00 175.22 175.66 2d2w s TRP 77 N 2.53 3.74 0.25 10.12 0.52 -0.38 -3.13 118.94 132.58 2d2w s TRP 77 Ca 0.03 1.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.62 2d2w s TRP 77 Cb -0.13 -2.85 -0.02 0.00 -1.15 0.00 0.00 33.47 29.32 2d2w s TRP 77 CO -0.12 0.26 0.29 -0.98 0.02 0.00 0.00 176.95 176.42 2d2w s ARG 78 N -0.02 1.46 0.51 4.98 1.70 -0.60 -0.87 118.95 126.12 2d2w s ARG 78 Ca 0.40 -1.59 0.06 0.00 -0.47 0.00 0.00 55.73 54.13 2d2w s ARG 78 Cb -0.21 0.36 0.02 0.00 -0.57 0.00 0.00 34.95 34.55 2d2w s ARG 78 CO 0.24 -0.55 0.40 0.96 -1.08 0.00 0.00 175.30 175.27 2d2w s ILE 79 N -3.88 1.91 1.05 4.99 -4.36 -1.15 -0.19 121.20 119.57 2d2w s ILE 79 Ca 0.33 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.14 2d2w s ILE 79 Cb 0.03 -2.37 0.20 0.00 1.25 0.00 0.00 42.46 41.58 2d2w s ILE 79 CO 0.14 0.00 0.96 0.47 0.24 0.00 0.00 174.94 176.76 2d2w n ASP 80 N -1.70 -0.92 0.00 4.36 8.00 -1.10 -4.68 116.55 120.50 2d2w n ASP 80 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2d2w n ASP 80 Cb 0.64 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 2d2w n ASP 80 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2d2w n PRO 81 N -4.26 0.00 -0.30 -0.24 -0.04 -1.26 -4.12 135.00 124.78 2d2w n PRO 81 Ca 0.07 0.49 0.03 0.00 -0.04 0.00 0.00 63.50 64.04 2d2w n PRO 81 Cb 0.54 -1.05 0.15 0.00 -0.04 0.00 0.00 33.50 33.10 2d2w n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d2w n ALA 82 N -1.96 2.92 0.75 0.55 0.00 -1.26 -3.50 120.51 118.01 2d2w n ALA 82 Ca 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 53.44 52.84 2d2w n ALA 82 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 0.25 1.49 0.22 0.00 7.64 -1.26 -4.62 113.62 117.35 2d2w n SER 83 Ca 0.10 -1.25 -0.09 0.00 1.01 0.00 0.00 58.87 58.64 2d2w n SER 83 Cb 0.54 0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 64.27 2d2w n SER 83 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2d2w h GLU 84 N 1.51 -0.56 -1.54 1.43 5.08 -1.71 -1.23 114.58 117.55 2d2w h GLU 84 Ca 0.00 0.04 0.45 0.00 -1.00 0.00 0.00 59.36 58.85 2d2w h GLU 84 Cb 0.53 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2d2w h GLU 84 CO 0.00 -0.38 1.34 0.00 -1.00 0.00 0.00 179.01 178.97 2d2w n ALA 85 N -2.35 1.48 -0.04 3.43 0.00 -1.26 -0.74 120.51 121.03 2d2w n ALA 85 Ca -0.07 0.51 -0.00 0.00 0.00 0.00 0.00 53.44 53.87 2d2w n ALA 85 Cb 0.24 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 2d2w n ALA 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2d2w h LYS 86 N 0.00 0.00 0.35 0.00 3.64 -1.65 -3.23 116.57 115.68 2d2w h LYS 86 Ca 0.73 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 60.10 2d2w h LYS 86 Cb 3.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 35.20 2d2w h LYS 86 CO -0.01 0.00 -0.32 1.37 -2.27 0.00 0.00 179.45 178.22 2d2w h LEU 87 N -0.82 -0.87 -1.50 5.20 -0.00 0.22 -1.36 115.31 116.18 2d2w h LEU 87 Ca 0.00 0.07 0.35 0.00 -0.00 0.00 0.00 57.88 58.29 2d2w h LEU 87 Cb 0.03 0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 40.93 2d2w h LEU 87 CO 0.00 -0.44 1.13 -0.37 -0.00 0.00 0.00 178.44 178.77 2d2w h VAL 88 N -0.66 0.09 -0.21 0.15 -1.51 -1.34 0.11 116.25 112.88 2d2w h VAL 88 Ca -0.05 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.48 2d2w h VAL 88 Cb 0.57 0.13 -0.06 0.00 -2.13 0.00 0.00 31.29 29.80 2d2w h VAL 88 CO -0.02 0.00 -0.15 -0.08 -1.23 0.00 0.00 177.57 176.09 2d2w h GLU 89 N 0.00 -0.14 -0.00 5.19 4.81 -1.26 0.15 114.58 123.33 2d2w h GLU 89 Ca 0.57 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 2d2w h GLU 89 Cb 2.83 0.03 0.00 0.00 0.63 0.00 0.00 28.75 32.25 2d2w h GLU 89 CO -0.01 -0.10 -0.13 1.04 -0.73 0.00 0.00 179.01 179.09 2d2w n GLN 90 N -5.31 0.70 0.02 1.92 1.13 0.35 -3.73 117.38 112.48 2d2w n GLN 90 Ca -0.01 -0.26 -0.13 0.00 -1.94 0.00 0.00 57.00 54.65 2d2w n GLN 90 Cb 0.22 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 2d2w n GLN 90 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d2w h ALA 91 N 3.62 0.47 -0.01 -1.58 0.00 -0.21 -3.01 119.26 118.53 2d2w h ALA 91 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2d2w h ALA 91 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2d2w h ALA 91 CO 0.00 0.73 -0.04 1.19 0.00 0.00 0.00 179.25 181.14 2d2w n PHE 92 N -3.87 0.00 -3.19 0.00 3.72 -0.86 -4.82 117.46 108.43 2d2w n PHE 92 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2d2w n PHE 92 Cb 0.73 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 2d2w n PHE 92 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2d2w n ARG 93 N -0.32 1.97 -3.53 -1.08 3.00 -1.14 -5.07 116.66 110.49 2d2w n ARG 93 Ca 0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.61 2d2w n ARG 93 Cb 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.68 2d2w n ARG 93 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2d2w s LYS 94 N -0.94 2.77 -0.40 5.56 1.02 -1.26 -5.00 119.74 121.49 2d2w s LYS 94 Ca 0.00 -2.08 -0.28 0.00 0.02 0.00 0.00 55.97 53.63 2d2w s LYS 94 Cb 0.00 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 2d2w s LYS 94 CO 0.00 -1.22 1.79 0.50 -0.92 0.00 0.00 175.35 175.50 2d2w s ARG 95 N 0.82 3.20 0.00 1.68 6.06 -1.21 -4.69 118.95 124.80 2d2w s ARG 95 Ca 0.11 1.22 0.04 0.00 -2.50 0.00 0.00 55.73 54.59 2d2w s ARG 95 Cb -0.22 -4.23 0.06 0.00 0.06 0.00 0.00 34.95 30.63 2d2w s ARG 95 CO -0.03 -2.03 0.86 2.89 -2.50 0.00 0.00 175.30 174.49 2d2w n ARG 96 N 8.56 0.00 -0.08 5.12 1.85 -1.26 -4.53 116.66 126.31 2d2w n ARG 96 Ca 0.22 -0.81 -0.09 0.00 -1.00 0.00 0.00 57.85 56.17 2d2w n ARG 96 Cb 0.48 -0.15 -0.11 0.00 -1.05 0.00 0.00 32.46 31.63 2d2w n ARG 96 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2d2w n GLN 97 N 0.07 1.21 -3.66 2.89 7.27 -1.26 -4.98 117.38 118.92 2d2w n GLN 97 Ca -0.02 0.02 -0.06 0.00 0.07 0.00 0.00 57.00 57.02 2d2w n GLN 97 Cb 0.70 -1.40 -0.07 0.00 2.41 0.00 0.00 30.24 31.88 2d2w n GLN 97 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2d2w s ARG 98 N -2.38 0.52 -0.02 3.69 0.52 -1.26 -5.03 118.95 114.99 2d2w s ARG 98 Ca -0.13 1.21 0.04 0.00 -0.52 0.00 0.00 55.73 56.33 2d2w s ARG 98 Cb 0.05 0.44 -0.06 0.00 0.52 0.00 0.00 34.95 35.90 2d2w s ARG 98 CO 0.59 -0.19 0.06 0.41 0.02 0.00 0.00 175.30 176.18 2d2w n GLY 99 N 4.99 -0.20 2.72 -3.53 0.00 -1.26 -4.86 105.19 103.04 2d2w n GLY 99 Ca -0.15 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2d2w n GLY 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d2w n VAL 100 N -1.90 0.00 -0.09 1.61 3.14 -1.26 -4.95 118.33 114.87 2d2w n VAL 100 Ca -0.04 -1.49 0.00 0.00 -2.96 0.00 0.00 64.34 59.86 2d2w n VAL 100 Cb 0.37 1.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.50 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17