#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 4.88 -4.57 -1.84 7.64 -1.26 -5.02 113.62 113.45 2d2w n SER 2 Ca 0.00 -3.50 -0.39 0.00 1.01 0.00 0.00 58.87 55.99 2d2w n SER 2 Cb 0.00 -0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 62.24 2d2w n SER 2 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2d2w s LYS 3 N -2.88 3.78 -0.02 1.43 0.00 -1.26 -4.97 119.74 115.82 2d2w s LYS 3 Ca 0.39 -0.44 0.10 0.00 0.00 0.00 0.00 55.97 56.02 2d2w s LYS 3 Cb 0.15 -3.72 0.32 0.00 0.00 0.00 0.00 37.83 34.58 2d2w s LYS 3 CO -0.01 -0.28 1.22 -0.35 0.00 0.00 0.00 175.35 175.94 2d2w n PRO 4 N 5.08 1.97 -1.12 1.78 -0.04 -1.26 -4.94 135.00 136.47 2d2w n PRO 4 Ca -0.13 -1.28 -0.18 0.00 -0.04 0.00 0.00 63.50 61.87 2d2w n PRO 4 Cb 0.51 -1.37 0.13 0.00 -0.04 0.00 0.00 33.50 32.73 2d2w n PRO 4 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2d2w n PRO 5 N 0.47 -0.87 -2.41 0.54 -0.04 -1.26 -4.70 135.00 126.72 2d2w n PRO 5 Ca 0.12 -1.23 -0.26 0.00 -0.04 0.00 0.00 63.50 62.09 2d2w n PRO 5 Cb 0.36 -0.84 0.15 0.00 -0.04 0.00 0.00 33.50 33.13 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 -2.73 1.25 1.06 0.54 2.02 -1.26 -4.26 117.35 113.97 2d2w s TYR 6 Ca 0.45 -0.21 -0.19 0.00 -0.37 0.00 0.00 57.07 56.76 2d2w s TYR 6 Cb -0.01 -3.37 0.02 0.00 -0.40 0.00 0.00 41.96 38.20 2d2w s TYR 6 CO 0.32 -2.17 -0.23 0.43 -1.57 0.00 0.00 175.55 172.34 2d2w n SER 7 N -3.19 -2.69 -4.57 2.29 7.64 -1.26 -4.68 113.62 107.16 2d2w n SER 7 Ca 0.17 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.70 2d2w n SER 7 Cb 0.60 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 2d2w n SER 7 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2d2w s TYR 8 N -2.21 2.36 0.00 1.43 2.02 -1.26 -3.03 117.35 116.66 2d2w s TYR 8 Ca 0.52 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2d2w s TYR 8 Cb -0.10 -4.43 0.00 0.00 -0.40 0.00 0.00 41.96 37.02 2d2w s TYR 8 CO 0.68 -1.66 0.00 0.00 -1.57 0.00 0.00 175.55 173.00 2d2w n ALA 9 N 10.97 0.00 0.06 3.71 0.00 -1.26 -4.93 120.51 129.07 2d2w n ALA 9 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 2d2w n ALA 9 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 2d2w n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d2w h GLN 10 N 0.00 0.16 -0.02 0.00 4.20 -1.84 -1.84 115.11 115.77 2d2w h GLN 10 Ca 0.00 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.44 2d2w h GLN 10 Cb 0.00 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2d2w h GLN 10 CO 0.00 1.04 0.11 -0.07 -0.67 0.00 0.00 178.83 179.24 2d2w h LEU 11 N 0.04 0.00 0.00 1.46 -0.00 -1.87 -0.36 115.31 114.59 2d2w h LEU 11 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2d2w h LEU 11 Cb 1.94 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.60 2d2w h LEU 11 CO 0.15 0.00 -0.56 -0.38 -0.00 0.00 0.00 178.44 177.66 2d2w n ILE 12 N -3.19 1.42 0.01 1.22 2.08 -1.14 -3.08 119.36 116.69 2d2w n ILE 12 Ca -0.02 0.21 -0.07 0.00 0.56 0.00 0.00 62.75 63.43 2d2w n ILE 12 Cb 0.18 -2.39 -0.05 0.00 -0.75 0.00 0.00 39.64 36.64 2d2w n ILE 12 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2d2w h VAL 13 N -1.00 0.00 -0.13 1.39 2.07 -0.95 0.44 116.25 118.08 2d2w h VAL 13 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2d2w h VAL 13 Cb 0.56 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2d2w h VAL 13 CO -0.00 0.00 0.19 -0.61 0.02 0.00 0.00 177.57 177.17 2d2w h GLN 14 N -0.29 0.00 0.02 1.57 4.15 -1.31 0.17 115.11 119.43 2d2w h GLN 14 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2d2w h GLN 14 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2d2w h GLN 14 CO -0.18 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 176.71 2d2w h ALA 15 N 1.74 -0.03 0.00 3.38 0.00 -0.28 -2.81 119.26 121.26 2d2w h ALA 15 Ca 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2d2w h ALA 15 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2d2w h ALA 15 CO -0.00 -0.26 -0.43 0.82 0.00 0.00 0.00 179.25 179.38 2d2w h ILE 16 N -0.56 0.31 -0.87 0.00 2.04 0.47 -2.49 117.51 116.41 2d2w h ILE 16 Ca -0.00 -1.31 0.15 0.00 1.00 0.00 0.00 64.86 64.70 2d2w h ILE 16 Cb 0.52 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2d2w h ILE 16 CO 0.01 0.10 0.57 0.28 0.00 0.00 0.00 178.15 179.11 2d2w h SER 17 N -1.00 0.59 0.88 1.72 0.02 -0.90 0.82 113.55 115.69 2d2w h SER 17 Ca -0.05 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2d2w h SER 17 Cb 0.53 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2d2w h SER 17 CO -0.03 0.29 -0.69 0.28 -1.14 0.00 0.00 176.83 175.54 2d2w h SER 18 N 0.62 0.00 -0.43 3.07 0.02 -1.57 -3.43 113.55 111.83 2d2w h SER 18 Ca 0.44 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2d2w h SER 18 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2d2w h SER 18 CO -0.19 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.59 2d2w n ALA 19 N -1.88 0.00 -1.00 3.77 0.00 0.28 -4.92 120.51 116.76 2d2w n ALA 19 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2d2w n ALA 19 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2d2w n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d2w n GLN 20 N -0.58 0.00 0.00 0.00 10.64 -1.26 -4.59 117.38 121.59 2d2w n GLN 20 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2d2w n GLN 20 Cb 0.00 -0.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.98 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2d2w n ASP 21 N 0.00 0.00 0.00 2.61 -0.08 -1.26 -4.99 116.55 112.83 2d2w n ASP 21 Ca 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2d2w n ASP 21 Cb 0.00 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.06 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 -2.00 0.00 -3.91 -0.67 1.85 -1.24 -4.70 116.66 105.99 2d2w n ARG 22 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 2d2w n ARG 22 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 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 0.37 -0.01 2.89 -2.07 -1.26 -2.87 119.66 116.72 2d2w s GLN 23 Ca 0.00 0.08 0.06 0.00 -1.82 0.00 0.00 55.36 53.68 2d2w s GLN 23 Cb 0.00 -0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 31.31 2d2w s GLN 23 CO 0.00 -0.17 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.10 2d2w s LEU 24 N 1.23 2.05 0.00 2.60 1.43 -0.61 -4.88 118.68 120.50 2d2w s LEU 24 Ca -0.07 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2d2w s LEU 24 Cb -0.13 -0.96 0.09 0.00 0.03 0.00 0.00 46.19 45.21 2d2w s LEU 24 CO -0.02 0.22 0.47 0.35 0.23 0.00 0.00 176.35 177.60 2d2w n THR 25 N 2.53 0.00 0.16 5.49 -2.24 -1.26 -0.34 114.28 118.62 2d2w n THR 25 Ca -0.15 -0.34 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 2d2w n THR 25 Cb 0.53 -1.74 0.42 0.00 -2.10 0.00 0.00 70.33 67.45 2d2w n THR 25 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2d2w h LEU 26 N 0.00 0.12 -3.47 3.22 6.46 -1.97 -1.58 115.31 118.10 2d2w h LEU 26 Ca -0.16 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 2d2w h LEU 26 Cb 0.43 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2d2w h LEU 26 CO 0.11 0.32 0.04 -0.24 -0.62 0.00 0.00 178.44 178.04 2d2w n SER 27 N -4.26 5.43 -0.13 1.25 2.88 -1.26 -4.15 113.62 113.37 2d2w n SER 27 Ca -0.01 -2.92 -0.23 0.00 -1.33 0.00 0.00 58.87 54.37 2d2w n SER 27 Cb 0.28 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 62.95 2d2w n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d2w n GLY 28 N 0.50 -0.39 0.31 0.46 0.00 -0.60 -2.80 105.19 102.66 2d2w n GLY 28 Ca 0.28 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.46 0.51 0.00 -0.61 -0.00 -1.71 0.13 117.51 115.37 2d2w h ILE 29 Ca -0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.22 2d2w h ILE 29 Cb 1.75 0.97 -0.00 0.00 -0.00 0.00 0.00 36.82 39.53 2d2w h ILE 29 CO -0.25 0.00 -0.34 1.88 -0.00 0.00 0.00 178.15 179.44 2d2w h TYR 30 N 0.00 0.00 0.00 2.19 0.05 -1.73 -3.21 116.97 114.27 2d2w h TYR 30 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2d2w h TYR 30 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2d2w h TYR 30 CO 0.00 0.09 0.15 0.00 -1.05 0.00 0.00 178.16 177.35 2d2w h ALA 31 N -0.95 1.12 0.04 3.88 0.00 -1.34 -1.21 119.26 120.79 2d2w h ALA 31 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d2w h ALA 31 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2d2w h ALA 31 CO -0.01 -0.12 -0.02 1.25 0.00 0.00 0.00 179.25 180.36 2d2w h HIS 32 N 0.00 -0.04 -0.68 0.00 -0.00 -0.86 -3.21 115.15 110.36 2d2w h HIS 32 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2d2w h HIS 32 Cb 0.29 0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 2d2w h HIS 32 CO 0.00 -0.03 0.45 -0.84 -0.00 0.00 0.00 177.93 177.51 2d2w h ILE 33 N -0.29 1.03 -0.09 6.26 -0.00 -1.51 -0.78 117.51 122.13 2d2w h ILE 33 Ca -0.00 -0.25 0.03 0.00 -0.00 0.00 0.00 64.86 64.63 2d2w h ILE 33 Cb 0.04 0.25 -0.00 0.00 -0.00 0.00 0.00 36.82 37.10 2d2w h ILE 33 CO 0.01 0.13 0.08 0.71 -0.00 0.00 0.00 178.15 179.08 2d2w h THR 34 N 0.72 0.72 0.00 0.16 1.35 -1.36 0.83 112.91 115.34 2d2w h THR 34 Ca 0.29 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.14 2d2w h THR 34 Cb 0.22 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2d2w h THR 34 CO -0.09 0.00 -0.08 0.50 -0.25 0.00 0.00 175.52 175.60 2d2w h LYS 35 N 0.00 0.00 0.04 4.72 1.63 -1.14 -3.41 116.57 118.42 2d2w h LYS 35 Ca 0.04 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2d2w h LYS 35 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2d2w h LYS 35 CO -0.00 0.15 -0.02 0.45 -3.45 0.00 0.00 179.45 176.58 2d2w h HIS 36 N -1.00 -0.06 -3.11 1.91 3.86 -1.42 -3.42 115.15 111.91 2d2w h HIS 36 Ca -0.01 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.63 2d2w h HIS 36 Cb 0.21 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 2d2w h HIS 36 CO 0.01 0.59 0.85 0.71 0.86 0.00 0.00 177.93 180.95 2d2w s TYR 37 N -2.77 3.13 -0.13 2.45 1.51 0.29 -4.92 117.35 116.91 2d2w s TYR 37 Ca -0.14 1.25 -0.27 0.00 -1.01 0.00 0.00 57.07 56.90 2d2w s TYR 37 Cb -0.01 -3.48 -0.24 0.00 -0.11 0.00 0.00 41.96 38.12 2d2w s TYR 37 CO 0.54 -0.91 0.74 -1.00 -1.11 0.00 0.00 175.55 173.81 2d2w h PRO 38 N 7.93 -0.00 -0.11 -1.71 0.13 -1.83 -3.31 132.00 133.10 2d2w h PRO 38 Ca -0.22 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2d2w h PRO 38 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2d2w h PRO 38 CO 1.00 0.90 0.08 -0.92 -0.23 0.00 0.00 178.00 178.83 2d2w h TYR 39 N -0.98 0.11 -0.48 1.56 5.03 -1.93 -0.70 116.97 119.59 2d2w h TYR 39 Ca -0.00 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.05 2d2w h TYR 39 Cb 0.91 -0.04 -0.15 0.00 1.55 0.00 0.00 36.73 39.00 2d2w h TYR 39 CO 0.25 0.07 0.33 0.66 -1.32 0.00 0.00 178.16 178.16 2d2w n TYR 40 N -4.52 1.48 0.00 -3.82 4.02 -1.25 -3.83 117.16 109.25 2d2w n TYR 40 Ca -0.01 -1.29 0.00 0.00 -0.01 0.00 0.00 57.90 56.59 2d2w n TYR 40 Cb 0.11 -0.65 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 2d2w n TYR 40 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 2d2w n ARG 41 N -0.17 2.84 0.02 -0.72 -4.01 -0.27 -4.06 116.66 110.30 2d2w n ARG 41 Ca 0.29 0.00 -0.20 0.00 -1.04 0.00 0.00 57.85 56.89 2d2w n ARG 41 Cb 0.97 -0.86 -0.14 0.00 -3.04 0.00 0.00 32.46 29.39 2d2w n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2d2w h THR 42 N 0.00 1.33 -4.33 8.89 1.03 -1.66 -3.46 112.91 114.70 2d2w h THR 42 Ca 0.00 -2.47 -0.51 0.00 -0.01 0.00 0.00 66.41 63.42 2d2w h THR 42 Cb 0.70 3.00 0.10 0.00 -1.07 0.00 0.00 68.15 70.87 2d2w h THR 42 CO 0.00 0.69 0.37 0.00 -0.01 0.00 0.00 175.52 176.57 2d2w s ALA 43 N -2.43 2.65 0.00 0.00 0.00 -1.26 -4.96 121.76 115.76 2d2w s ALA 43 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2d2w s ALA 43 Cb 0.02 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2d2w s ALA 43 CO 0.79 -1.26 0.00 -0.40 0.00 0.00 0.00 175.76 174.89 2d2w n ASP 44 N -3.16 0.00 -4.49 0.00 5.75 -1.26 -4.97 116.55 108.43 2d2w n ASP 44 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.43 2d2w n ASP 44 Cb 0.54 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2d2w n ASP 44 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2d2w n LYS 45 N -2.04 3.18 0.00 0.11 2.85 -1.26 -2.85 118.16 118.14 2d2w n LYS 45 Ca 0.00 -3.24 0.00 0.00 -1.05 0.00 0.00 58.31 54.02 2d2w n LYS 45 Cb 0.00 -3.46 0.00 0.00 -0.65 0.00 0.00 35.03 30.92 2d2w n LYS 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d2w n GLY 46 N 5.21 -0.37 0.05 2.58 0.00 -1.26 -4.94 105.19 106.47 2d2w n GLY 46 Ca 0.49 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.00 0.00 1.61 4.27 -1.24 -4.13 117.44 117.94 2d2w n TRP 47 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2d2w n TRP 47 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2d2w n TRP 47 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 2d2w n GLN 48 N -1.16 0.00 0.17 -2.67 -0.06 -1.13 -1.39 117.38 111.14 2d2w n GLN 48 Ca 0.03 0.48 0.13 0.00 -2.00 0.00 0.00 57.00 55.64 2d2w n GLN 48 Cb 0.23 -1.47 0.54 0.00 -4.06 0.00 0.00 30.24 25.49 2d2w n GLN 48 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2d2w h ASN 49 N 0.00 0.00 -0.60 1.69 2.35 -1.84 -2.70 115.58 114.47 2d2w h ASN 49 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2d2w h ASN 49 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2d2w h ASN 49 CO 0.00 0.00 0.01 -1.28 -1.65 0.00 0.00 177.43 174.51 2d2w h SER 50 N 0.00 1.04 0.30 5.81 0.87 -1.66 -2.10 113.55 117.81 2d2w h SER 50 Ca 0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2d2w h SER 50 Cb 0.38 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2d2w h SER 50 CO 0.00 1.09 -0.14 0.40 -0.53 0.00 0.00 176.83 177.64 2d2w h ILE 51 N 0.96 0.72 -0.56 2.23 5.03 -0.88 0.10 117.51 125.11 2d2w h ILE 51 Ca 0.17 -0.55 0.11 0.00 -0.12 0.00 0.00 64.86 64.47 2d2w h ILE 51 Cb 0.55 1.00 -0.10 0.00 -3.03 0.00 0.00 36.82 35.24 2d2w h ILE 51 CO 0.03 0.11 -0.10 -0.09 -0.68 0.00 0.00 178.15 177.42 2d2w h ARG 52 N -0.71 0.03 0.00 2.37 1.12 -1.57 0.60 114.38 116.21 2d2w h ARG 52 Ca -0.04 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.77 2d2w h ARG 52 Cb 0.49 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 2d2w h ARG 52 CO 0.07 0.02 -0.29 1.25 -3.11 0.00 0.00 179.97 177.90 2d2w h HIS 53 N 0.03 0.00 0.00 2.20 2.76 -1.32 -2.28 115.15 116.54 2d2w h HIS 53 Ca 0.27 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 2d2w h HIS 53 Cb 0.42 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 2d2w h HIS 53 CO -0.43 0.29 -0.52 -0.91 -1.30 0.00 0.00 177.93 175.06 2d2w h ASN 54 N 0.00 0.00 0.78 3.26 2.35 0.27 -2.48 115.58 119.76 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 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2d2w h ASN 54 CO 0.04 0.52 0.00 0.18 -1.65 0.00 0.00 177.43 176.52 2d2w n LEU 55 N -3.80 0.20 -0.02 1.61 4.77 0.43 -1.87 117.00 118.32 2d2w n LEU 55 Ca -0.01 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.41 2d2w n LEU 55 Cb 0.55 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 2d2w n LEU 55 CO 0.40 -0.23 -0.56 -1.20 -1.33 0.00 0.00 177.39 174.48 2d2w n SER 56 N -1.70 1.00 -0.06 -1.43 7.64 -0.94 -4.37 113.62 113.75 2d2w n SER 56 Ca 0.04 0.39 -0.08 0.00 1.01 0.00 0.00 58.87 60.24 2d2w n SER 56 Cb 0.26 -0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 2d2w n SER 56 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2d2w h LEU 57 N 0.01 -0.00 -8.47 -3.43 -0.00 -1.41 -3.44 115.31 98.56 2d2w h LEU 57 Ca -0.30 -0.57 -0.76 0.00 -0.00 0.00 0.00 57.88 56.25 2d2w h LEU 57 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.66 2d2w h LEU 57 CO 0.08 0.78 1.16 0.59 -0.00 0.00 0.00 178.44 181.06 2d2w n ASN 58 N -4.68 1.38 0.00 -0.43 5.03 -0.78 -4.73 115.26 111.04 2d2w n ASN 58 Ca -0.06 0.78 0.07 0.00 0.87 0.00 0.00 54.58 56.24 2d2w n ASN 58 Cb 0.27 -1.01 0.41 0.00 -1.02 0.00 0.00 39.78 38.44 2d2w n ASN 58 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2d2w n ARG 59 N 6.69 0.95 -0.05 3.52 1.85 -1.26 -3.06 116.66 125.30 2d2w n ARG 59 Ca 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.27 2d2w n ARG 59 Cb 0.04 -1.23 -0.13 0.00 -1.05 0.00 0.00 32.46 30.09 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 -0.73 0.00 -2.46 2.89 4.11 -1.26 -4.96 117.16 114.75 2d2w n TYR 60 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.68 2d2w n TYR 60 Cb 0.05 -0.65 -0.04 0.00 -0.00 0.00 0.00 39.34 38.70 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 -2.71 3.26 0.34 -3.48 0.08 -1.17 -0.97 117.98 113.33 2d2w s PHE 61 Ca -0.07 1.53 0.02 0.00 0.12 0.00 0.00 56.93 58.52 2d2w s PHE 61 Cb 0.07 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2d2w s PHE 61 CO 0.69 -0.51 0.40 0.96 -0.10 0.00 0.00 175.22 176.66 2d2w s ILE 62 N -2.38 0.00 -0.18 0.64 -5.25 -0.22 -4.86 121.20 108.95 2d2w s ILE 62 Ca 0.62 -1.76 -0.03 0.00 -0.99 0.00 0.00 60.65 58.49 2d2w s ILE 62 Cb -0.12 -2.60 -0.02 0.00 2.95 0.00 0.00 42.46 42.68 2d2w s ILE 62 CO 0.26 0.00 -0.05 -0.54 -1.79 0.00 0.00 174.94 172.82 2d2w s LYS 63 N -3.17 3.50 -0.37 0.37 -0.14 -1.26 -2.44 119.74 116.23 2d2w s LYS 63 Ca 0.35 -0.59 -0.06 0.00 -1.36 0.00 0.00 55.97 54.30 2d2w s LYS 63 Cb 0.01 -2.92 0.06 0.00 -1.68 0.00 0.00 37.83 33.30 2d2w s LYS 63 CO 0.24 0.04 0.16 0.14 -0.76 0.00 0.00 175.35 175.16 2d2w s VAL 64 N 0.87 3.79 0.65 3.17 -7.23 -1.18 -4.98 120.40 115.49 2d2w s VAL 64 Ca -0.01 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 2d2w s VAL 64 Cb -0.15 -3.26 0.15 0.00 0.56 0.00 0.00 36.38 33.68 2d2w s VAL 64 CO 0.01 -0.34 0.81 -0.81 -0.31 0.00 0.00 175.10 174.46 2d2w n PRO 65 N 4.80 -1.13 0.00 4.82 -0.04 -1.26 -4.61 135.00 137.58 2d2w n PRO 65 Ca -0.10 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2d2w n PRO 65 Cb 0.44 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 2d2w n PRO 65 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2d2w n ARG 66 N -2.95 0.00 -2.07 0.54 0.00 -1.26 -5.12 116.66 105.80 2d2w n ARG 66 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.95 2d2w n ARG 66 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.82 2d2w n ARG 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2d2w n SER 67 N -2.26 1.24 0.08 6.15 2.88 -1.26 -5.04 113.62 115.41 2d2w n SER 67 Ca 0.00 -1.06 -0.04 0.00 -1.33 0.00 0.00 58.87 56.44 2d2w n SER 67 Cb 0.00 0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 2d2w n SER 67 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2d2w h GLN 68 N 0.00 0.00 -5.90 -1.46 5.75 -2.07 -3.44 115.11 107.98 2d2w h GLN 68 Ca -0.01 0.00 -0.68 0.00 -0.15 0.00 0.00 58.65 57.81 2d2w h GLN 68 Cb 0.03 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 28.34 2d2w h GLN 68 CO 0.02 0.86 -0.77 -2.00 -2.65 0.00 0.00 178.83 174.28 2d2w s GLU 69 N -2.79 2.87 0.00 1.69 2.12 -1.26 -5.11 118.70 116.22 2d2w s GLU 69 Ca 0.02 -0.69 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 2d2w s GLU 69 Cb 0.09 -2.48 -0.06 0.00 0.26 0.00 0.00 34.13 31.95 2d2w s GLU 69 CO 0.80 0.45 0.43 -1.21 -0.54 0.00 0.00 175.26 175.19 2d2w s GLU 70 N -0.28 3.97 0.00 4.30 2.02 -1.26 -4.95 118.70 122.49 2d2w s GLU 70 Ca 0.02 0.44 0.28 0.00 0.02 0.00 0.00 54.97 55.73 2d2w s GLU 70 Cb -0.13 -3.23 1.29 0.00 0.10 0.00 0.00 34.13 32.16 2d2w s GLU 70 CO 0.03 0.66 1.92 -0.35 0.02 0.00 0.00 175.26 177.53 2d2w n PRO 71 N 1.91 0.20 0.00 0.39 -0.04 -1.26 -4.89 135.00 131.31 2d2w n PRO 71 Ca -0.13 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2d2w n PRO 71 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.20 4.49 2.82 0.55 0.00 -1.26 -5.08 105.19 107.91 2d2w n GLY 72 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 2d2w n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2d2w n LYS 73 N 0.00 1.68 -4.46 1.61 2.85 -1.26 -5.10 118.16 113.48 2d2w n LYS 73 Ca 0.00 -3.35 -0.23 0.00 -1.05 0.00 0.00 58.31 53.68 2d2w n LYS 73 Cb 0.00 -1.46 -0.10 0.00 -0.65 0.00 0.00 35.03 32.81 2d2w n LYS 73 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2d2w s GLY 74 N -3.61 1.95 0.38 2.58 0.00 -1.26 -5.16 107.32 102.20 2d2w s GLY 74 Ca 0.26 -1.96 0.08 0.00 0.00 0.00 0.00 44.72 43.09 2d2w s GLY 74 CO -0.04 -1.90 0.07 -0.56 0.00 0.00 0.00 173.10 170.67 2d2w s SER 75 N -3.49 4.19 -0.19 1.64 0.01 -1.26 -5.08 113.70 109.52 2d2w s SER 75 Ca 0.31 -1.11 -0.02 0.00 1.31 0.00 0.00 55.95 56.43 2d2w s SER 75 Cb 0.03 -0.48 0.06 0.00 0.21 0.00 0.00 66.02 65.84 2d2w s SER 75 CO 0.13 -0.39 0.02 0.12 0.41 0.00 0.00 173.24 173.53 2d2w s PHE 76 N -2.59 1.19 0.68 2.43 2.19 -1.26 -3.84 117.98 116.77 2d2w s PHE 76 Ca 0.37 -0.91 -0.11 0.00 0.33 0.00 0.00 56.93 56.61 2d2w s PHE 76 Cb 0.04 -1.09 -0.00 0.00 -1.31 0.00 0.00 43.02 40.66 2d2w s PHE 76 CO 0.20 -0.60 1.07 -1.58 1.83 0.00 0.00 175.22 176.14 2d2w s TRP 77 N 1.80 3.40 -0.29 10.12 0.52 0.53 -3.07 118.94 131.96 2d2w s TRP 77 Ca -0.01 1.17 -0.15 0.00 0.02 0.00 0.00 56.10 57.14 2d2w s TRP 77 Cb -0.17 -2.92 0.09 0.00 -1.15 0.00 0.00 33.47 29.32 2d2w s TRP 77 CO -0.07 -1.03 0.69 0.50 0.02 0.00 0.00 176.95 177.06 2d2w s ARG 78 N -5.26 0.66 0.44 4.98 3.52 -1.02 -1.58 118.95 120.70 2d2w s ARG 78 Ca 0.57 1.26 -0.20 0.00 -0.13 0.00 0.00 55.73 57.22 2d2w s ARG 78 Cb -0.11 0.31 -0.11 0.00 -1.56 0.00 0.00 34.95 33.48 2d2w s ARG 78 CO 0.53 -0.16 0.96 0.96 -0.81 0.00 0.00 175.30 176.78 2d2w s ILE 79 N 1.93 4.39 0.88 4.11 -4.36 -1.14 -1.05 121.20 125.95 2d2w s ILE 79 Ca -0.09 1.44 -0.12 0.00 -0.26 0.00 0.00 60.65 61.63 2d2w s ILE 79 Cb -0.07 -3.61 0.11 0.00 1.25 0.00 0.00 42.46 40.15 2d2w s ILE 79 CO -0.20 -0.37 1.09 0.47 0.24 0.00 0.00 174.94 176.18 2d2w n ASP 80 N -0.78 0.34 -0.02 4.36 8.00 -0.14 -4.88 116.55 123.44 2d2w n ASP 80 Ca 0.07 0.48 -0.17 0.00 0.71 0.00 0.00 54.79 55.88 2d2w n ASP 80 Cb 0.54 -1.46 -0.14 0.00 -0.02 0.00 0.00 41.12 40.04 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 -1.48 0.14 -0.06 -0.24 0.13 -1.94 -3.23 132.00 125.31 2d2w h PRO 81 Ca -0.44 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2d2w h PRO 81 Cb 1.28 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2d2w h PRO 81 CO 0.42 1.11 0.00 0.00 -0.23 0.00 0.00 178.00 179.30 2d2w n ALA 82 N -2.64 2.57 1.02 -0.56 0.00 -1.26 -3.34 120.51 116.30 2d2w n ALA 82 Ca -0.12 -0.44 0.11 0.00 0.00 0.00 0.00 53.44 52.99 2d2w n ALA 82 Cb 0.63 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.94 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 0.10 1.90 0.00 0.00 7.64 -1.25 -4.56 113.62 117.47 2d2w n SER 83 Ca 0.18 -1.44 -0.00 0.00 1.01 0.00 0.00 58.87 58.62 2d2w n SER 83 Cb 0.32 0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 2.24 -0.00 -1.22 1.43 5.08 -1.57 -0.09 114.58 120.45 2d2w h GLU 84 Ca 0.00 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.71 2d2w h GLU 84 Cb 0.73 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 2d2w h GLU 84 CO 0.00 -0.00 1.26 0.00 -1.00 0.00 0.00 179.01 179.27 2d2w h ALA 85 N -1.95 3.16 0.14 3.43 0.00 -1.83 0.81 119.26 123.01 2d2w h ALA 85 Ca -0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2d2w h ALA 85 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2d2w h ALA 85 CO 0.00 -1.89 -1.38 -0.22 0.00 0.00 0.00 179.25 175.76 2d2w h LYS 86 N 0.00 0.30 0.13 0.00 3.64 -1.68 -3.18 116.57 115.78 2d2w h LYS 86 Ca 0.58 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2d2w h LYS 86 Cb 3.10 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 35.11 2d2w h LYS 86 CO -0.01 1.24 -0.06 1.37 -2.27 0.00 0.00 179.45 179.72 2d2w h LEU 87 N -0.21 -0.15 -1.97 5.20 8.10 0.24 -3.31 115.31 123.21 2d2w h LEU 87 Ca -0.28 -0.21 0.17 0.00 0.11 0.00 0.00 57.88 57.67 2d2w h LEU 87 Cb 1.83 0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 42.06 2d2w h LEU 87 CO 0.11 0.41 0.44 -0.37 -4.11 0.00 0.00 178.44 174.92 2d2w h VAL 88 N -1.00 0.71 -0.62 0.15 -1.51 -1.09 -0.92 116.25 111.96 2d2w h VAL 88 Ca -0.02 -0.01 0.14 0.00 -1.23 0.00 0.00 66.70 65.58 2d2w h VAL 88 Cb 0.35 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.15 2d2w h VAL 88 CO 0.03 0.01 0.43 1.05 -1.23 0.00 0.00 177.57 177.85 2d2w h GLU 89 N 0.03 0.22 0.00 5.19 -0.00 -1.63 0.39 114.58 118.78 2d2w h GLU 89 Ca 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 2d2w h GLU 89 Cb 1.13 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.83 2d2w h GLU 89 CO -0.01 0.15 -1.06 1.04 -0.00 0.00 0.00 179.01 179.13 2d2w n GLN 90 N -4.43 0.61 -0.22 1.06 1.13 -0.38 -4.02 117.38 111.12 2d2w n GLN 90 Ca 0.11 0.12 -0.01 0.00 -1.94 0.00 0.00 57.00 55.29 2d2w n GLN 90 Cb 0.53 -1.82 0.10 0.00 0.11 0.00 0.00 30.24 29.16 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 1.95 0.87 -0.66 -1.58 0.00 0.07 -3.18 119.26 116.74 2d2w h ALA 91 Ca -0.01 0.03 -0.71 0.00 0.00 0.00 0.00 54.91 54.22 2d2w h ALA 91 Cb 1.05 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2d2w h ALA 91 CO 0.00 -0.02 2.42 1.19 0.00 0.00 0.00 179.25 182.84 2d2w n PHE 92 N -4.84 4.08 -3.23 0.00 3.72 -1.07 -4.78 117.46 111.34 2d2w n PHE 92 Ca 0.08 -2.95 0.03 0.00 -0.05 0.00 0.00 57.45 54.57 2d2w n PHE 92 Cb 0.20 -2.47 -0.04 0.00 -0.94 0.00 0.00 39.48 36.23 2d2w n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2d2w s ARG 93 N 3.04 0.07 -0.12 -1.08 3.52 -1.20 -5.06 118.95 118.12 2d2w s ARG 93 Ca 0.48 0.18 -0.26 0.00 -0.13 0.00 0.00 55.73 56.01 2d2w s ARG 93 Cb 0.08 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 2d2w s ARG 93 CO -0.00 -0.03 0.85 0.15 -0.81 0.00 0.00 175.30 175.46 2d2w s LYS 94 N 2.08 4.38 -0.26 5.12 1.02 -1.26 -4.80 119.74 126.01 2d2w s LYS 94 Ca -0.00 1.09 -0.16 0.00 0.02 0.00 0.00 55.97 56.91 2d2w s LYS 94 Cb -0.02 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2d2w s LYS 94 CO -0.16 -0.21 0.44 0.50 -0.92 0.00 0.00 175.35 175.00 2d2w s ARG 95 N 1.69 4.05 0.89 1.68 3.52 -1.26 -5.03 118.95 124.50 2d2w s ARG 95 Ca 0.41 0.18 -0.15 0.00 -0.13 0.00 0.00 55.73 56.04 2d2w s ARG 95 Cb -0.18 -3.65 0.21 0.00 -1.56 0.00 0.00 34.95 29.77 2d2w s ARG 95 CO 0.16 -0.30 1.21 0.54 -0.81 0.00 0.00 175.30 176.10 2d2w n ARG 96 N 5.37 -1.22 -2.82 5.12 1.74 -1.26 -4.66 116.66 118.93 2d2w n ARG 96 Ca -0.06 -1.86 -0.42 0.00 -0.77 0.00 0.00 57.85 54.73 2d2w n ARG 96 Cb 0.50 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.66 2d2w n ARG 96 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2d2w s GLN 97 N -5.63 4.21 -0.38 5.56 2.00 -1.26 -4.93 119.66 119.22 2d2w s GLN 97 Ca 0.68 1.07 0.10 0.00 -2.00 0.00 0.00 55.36 55.21 2d2w s GLN 97 Cb -0.02 -3.64 0.44 0.00 0.80 0.00 0.00 33.01 30.59 2d2w s GLN 97 CO 0.48 -0.55 1.07 -2.13 -0.50 0.00 0.00 175.29 173.66 2d2w n ARG 98 N 6.09 2.67 -4.46 1.67 0.63 -1.26 -5.06 116.66 116.93 2d2w n ARG 98 Ca 0.07 -4.05 -0.24 0.00 -0.92 0.00 0.00 57.85 52.71 2d2w n ARG 98 Cb 0.47 -1.91 -0.08 0.00 0.45 0.00 0.00 32.46 31.39 2d2w n ARG 98 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2d2w s GLY 99 N -3.43 2.59 -0.49 5.14 0.00 -1.26 -5.08 107.32 104.79 2d2w s GLY 99 Ca 0.41 -1.39 0.07 0.00 0.00 0.00 0.00 44.72 43.81 2d2w s GLY 99 CO -0.09 -1.75 0.97 -0.62 0.00 0.00 0.00 173.10 171.61 2d2w n VAL 100 N -0.86 2.25 0.32 1.40 0.31 -1.26 -5.30 118.33 115.18 2d2w n VAL 100 Ca -0.03 -5.04 0.04 0.00 -0.01 0.00 0.00 64.34 59.29 2d2w n VAL 100 Cb 0.64 -1.03 0.03 0.00 -0.91 0.00 0.00 33.84 32.58 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31