#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 0.00 -4.73 1.62 7.64 -1.26 -5.06 113.62 111.83 2d2w n SER 2 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2d2w n SER 2 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 2d2w n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2d2w s LYS 3 N 0.00 1.84 1.00 1.43 3.01 -1.26 -5.09 119.74 120.67 2d2w s LYS 3 Ca 0.00 -0.73 -0.16 0.00 -1.01 0.00 0.00 55.97 54.06 2d2w s LYS 3 Cb 0.00 -2.26 0.21 0.00 -1.01 0.00 0.00 37.83 34.77 2d2w s LYS 3 CO 0.00 -1.38 1.27 -1.25 0.51 0.00 0.00 175.35 174.50 2d2w s PRO 4 N -5.20 0.40 0.00 -1.68 0.04 -1.26 -4.94 135.00 122.36 2d2w s PRO 4 Ca 0.64 -0.29 0.24 0.00 0.04 0.00 0.00 61.00 61.63 2d2w s PRO 4 Cb -0.07 -1.81 1.43 0.00 0.04 0.00 0.00 34.50 34.09 2d2w s PRO 4 CO 0.44 -2.60 1.84 -0.35 0.04 0.00 0.00 177.00 176.38 2d2w n PRO 5 N -3.92 0.85 -4.20 0.56 -0.04 -1.26 -4.77 135.00 122.22 2d2w n PRO 5 Ca 0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 2d2w n PRO 5 Cb 0.60 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.00 3.31 0.56 0.54 2.02 -1.26 -3.22 117.35 117.30 2d2w s TYR 6 Ca 0.36 0.30 0.08 0.00 -0.37 0.00 0.00 57.07 57.45 2d2w s TYR 6 Cb 0.17 -1.83 0.07 0.00 -0.40 0.00 0.00 41.96 39.96 2d2w s TYR 6 CO 0.28 0.56 0.66 0.45 -1.57 0.00 0.00 175.55 175.93 2d2w s SER 7 N -0.98 4.97 -1.35 2.29 0.15 -1.26 -4.86 113.70 112.65 2d2w s SER 7 Ca 0.14 -0.96 -0.11 0.00 0.70 0.00 0.00 55.95 55.72 2d2w s SER 7 Cb -0.12 0.31 0.12 0.00 -1.71 0.00 0.00 66.02 64.62 2d2w s SER 7 CO 0.04 -1.25 2.03 -1.22 1.20 0.00 0.00 173.24 174.03 2d2w n TYR 8 N -2.08 3.14 0.00 3.44 4.01 -1.26 -2.00 117.16 122.41 2d2w n TYR 8 Ca 0.10 -2.86 0.00 0.00 -0.16 0.00 0.00 57.90 54.98 2d2w n TYR 8 Cb 0.62 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.48 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 4.64 0.00 0.00 -0.72 0.00 -1.26 -4.81 120.51 118.36 2d2w n ALA 9 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 2d2w n ALA 9 Cb 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.95 0.63 -0.35 0.00 10.64 -1.24 -3.28 117.38 121.84 2d2w n GLN 10 Ca 0.00 0.26 -0.01 0.00 -1.83 0.00 0.00 57.00 55.42 2d2w n GLN 10 Cb 0.00 -1.80 0.14 0.00 -0.86 0.00 0.00 30.24 27.73 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 0.00 1.09 -0.03 2.61 5.85 -1.73 -1.55 115.31 121.55 2d2w h LEU 11 Ca -0.23 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2d2w h LEU 11 Cb 1.82 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 2d2w h LEU 11 CO 0.06 0.79 0.01 0.40 -0.34 0.00 0.00 178.44 179.36 2d2w h ILE 12 N 1.29 1.13 -0.07 4.05 1.08 -1.76 -2.30 117.51 120.92 2d2w h ILE 12 Ca 0.35 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2d2w h ILE 12 Cb -0.14 1.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 2d2w h ILE 12 CO -0.08 0.11 -0.44 0.58 -0.69 0.00 0.00 178.15 177.62 2d2w h VAL 13 N -0.11 0.00 -0.28 1.67 2.07 -1.29 0.53 116.25 118.83 2d2w h VAL 13 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2d2w h VAL 13 Cb 0.16 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2d2w h VAL 13 CO -0.00 0.00 0.30 -0.61 0.02 0.00 0.00 177.57 177.28 2d2w h GLN 14 N -0.50 0.00 0.06 1.57 4.15 -1.39 0.26 115.11 119.26 2d2w h GLN 14 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2d2w h GLN 14 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2d2w h GLN 14 CO -0.34 0.00 -0.03 0.00 -1.93 0.00 0.00 178.83 176.53 2d2w h ALA 15 N 1.66 -0.08 0.00 3.38 0.00 0.51 -2.89 119.26 121.85 2d2w h ALA 15 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2d2w h ALA 15 Cb 0.73 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2d2w h ALA 15 CO -0.00 -0.28 -0.49 -0.84 0.00 0.00 0.00 179.25 177.64 2d2w h ILE 16 N -0.61 0.13 -0.84 0.00 3.07 0.28 -2.96 117.51 116.59 2d2w h ILE 16 Ca -0.01 -1.15 0.10 0.00 1.55 0.00 0.00 64.86 65.36 2d2w h ILE 16 Cb 0.52 0.29 -0.08 0.00 -0.27 0.00 0.00 36.82 37.29 2d2w h ILE 16 CO 0.01 0.04 0.48 0.77 -1.05 0.00 0.00 178.15 178.40 2d2w h SER 17 N -1.00 0.67 1.49 2.16 4.64 -0.74 0.71 113.55 121.49 2d2w h SER 17 Ca -0.04 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2d2w h SER 17 Cb 0.52 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2d2w h SER 17 CO -0.02 0.37 0.00 -1.28 -0.87 0.00 0.00 176.83 175.03 2d2w h SER 18 N 0.79 0.00 -0.05 4.97 0.87 -1.47 -3.43 113.55 115.22 2d2w h SER 18 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2d2w h SER 18 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2d2w h SER 18 CO -0.26 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.04 2d2w n ALA 19 N -1.87 0.00 -1.00 6.23 0.00 0.24 -4.93 120.51 119.18 2d2w n ALA 19 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2d2w n ALA 19 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2d2w n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2d2w n GLN 20 N -0.08 0.00 0.00 0.00 7.27 -1.26 -4.70 117.38 118.61 2d2w n GLN 20 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2d2w n GLN 20 Cb 0.00 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 31.82 2d2w n GLN 20 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2d2w n ASP 21 N -0.39 0.00 0.00 1.69 9.92 -1.26 -5.00 116.55 121.51 2d2w n ASP 21 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2d2w n ASP 21 Cb 0.00 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 2d2w n ASP 21 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2d2w n ARG 22 N -1.78 0.00 -4.46 -1.24 1.85 -1.25 -4.70 116.66 105.09 2d2w n ARG 22 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2d2w n ARG 22 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 2d2w n ARG 22 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2d2w s GLN 23 N 0.00 1.01 0.02 2.89 1.11 -1.26 -3.29 119.66 120.14 2d2w s GLN 23 Ca 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 55.36 54.66 2d2w s GLN 23 Cb 0.00 -1.01 -0.01 0.00 -1.01 0.00 0.00 33.01 30.97 2d2w s GLN 23 CO 0.00 0.26 0.03 -0.51 0.01 0.00 0.00 175.29 175.08 2d2w s LEU 24 N -0.88 2.00 0.90 2.90 1.43 -0.65 -4.87 118.68 119.52 2d2w s LEU 24 Ca 0.03 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 2d2w s LEU 24 Cb -0.07 0.32 0.14 0.00 0.03 0.00 0.00 46.19 46.61 2d2w s LEU 24 CO 0.01 -0.34 1.22 -0.89 0.23 0.00 0.00 176.35 176.58 2d2w s THR 25 N -1.55 1.98 0.30 5.49 2.01 -1.26 -2.64 115.64 119.97 2d2w s THR 25 Ca -0.15 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2d2w s THR 25 Cb -0.08 -2.94 0.28 0.00 0.01 0.00 0.00 72.50 69.77 2d2w s THR 25 CO -0.00 0.00 1.92 0.25 -0.69 0.00 0.00 174.62 176.09 2d2w h LEU 26 N -1.41 0.90 -3.98 4.42 6.46 -1.92 -1.21 115.31 118.57 2d2w h LEU 26 Ca -0.46 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 56.76 2d2w h LEU 26 Cb 1.29 -0.19 -0.30 0.00 -0.73 0.00 0.00 40.66 40.74 2d2w h LEU 26 CO 0.54 0.58 0.67 -1.20 -0.62 0.00 0.00 178.44 178.41 2d2w n SER 27 N -4.48 4.58 -0.13 1.25 7.64 -1.26 -4.35 113.62 116.86 2d2w n SER 27 Ca 0.13 -3.66 -0.18 0.00 1.01 0.00 0.00 58.87 56.18 2d2w n SER 27 Cb 0.19 -0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 62.41 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 -1.10 -0.36 0.37 0.23 0.00 -0.46 -4.16 105.19 99.72 2d2w n GLY 28 Ca 0.60 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.88 -0.03 -0.61 2.10 -1.76 -0.49 117.51 117.60 2d2w h ILE 29 Ca -0.58 -0.26 -0.00 0.00 1.08 0.00 0.00 64.86 65.10 2d2w h ILE 29 Cb 1.90 0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2d2w h ILE 29 CO -0.09 0.14 -0.00 1.88 -1.08 0.00 0.00 178.15 179.00 2d2w h TYR 30 N 0.74 0.06 0.00 2.19 0.05 -1.84 -1.79 116.97 116.37 2d2w h TYR 30 Ca 0.43 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2d2w h TYR 30 Cb 0.61 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.34 2d2w h TYR 30 CO -0.00 0.35 0.00 0.00 -1.05 0.00 0.00 178.16 177.46 2d2w n ALA 31 N -2.27 1.37 -0.93 3.88 0.00 -0.70 -2.07 120.51 119.79 2d2w n ALA 31 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2d2w n ALA 31 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2d2w n ALA 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2d2w n HIS 32 N -2.27 0.00 -0.35 0.00 -0.00 -0.28 -3.34 115.22 108.99 2d2w n HIS 32 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 2d2w n HIS 32 Cb 0.14 -0.03 0.19 0.00 -0.00 0.00 0.00 29.99 30.29 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 1.01 -0.17 3.57 -0.00 -1.58 -0.03 117.51 120.31 2d2w h ILE 33 Ca 0.00 -0.36 0.05 0.00 -0.00 0.00 0.00 64.86 64.55 2d2w h ILE 33 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.82 36.68 2d2w h ILE 33 CO 0.00 0.19 0.15 0.71 -0.00 0.00 0.00 178.15 179.20 2d2w h THR 34 N 1.05 0.65 0.00 0.16 1.35 -1.62 0.84 112.91 115.34 2d2w h THR 34 Ca 0.44 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 66.10 2d2w h THR 34 Cb 0.29 0.89 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 2d2w h THR 34 CO -0.21 0.00 -1.00 0.11 -0.25 0.00 0.00 175.52 174.17 2d2w h LYS 35 N 0.00 0.00 -0.38 4.72 1.79 -1.00 -3.27 116.57 118.42 2d2w h LYS 35 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2d2w h LYS 35 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2d2w h LYS 35 CO -0.00 0.96 0.00 0.72 -1.08 0.00 0.00 179.45 180.05 2d2w n HIS 36 N -3.34 0.50 -3.97 -1.35 8.25 -0.12 -4.90 115.22 110.29 2d2w n HIS 36 Ca -0.00 -0.36 -0.23 0.00 -0.26 0.00 0.00 57.72 56.86 2d2w n HIS 36 Cb 0.93 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.11 0.99 -0.92 4.41 1.51 0.27 -5.00 117.35 117.51 2d2w s TYR 37 Ca 0.31 -0.38 0.26 0.00 -1.01 0.00 0.00 57.07 56.25 2d2w s TYR 37 Cb 0.17 -0.92 1.04 0.00 -0.11 0.00 0.00 41.96 42.14 2d2w s TYR 37 CO 0.23 -0.35 1.81 -0.35 -1.11 0.00 0.00 175.55 175.79 2d2w n PRO 38 N 4.71 0.06 0.07 -1.71 -0.04 -1.26 -3.48 135.00 133.35 2d2w n PRO 38 Ca -0.14 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 2d2w n PRO 38 Cb 0.50 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.69 -1.69 0.54 3.20 -1.94 -3.40 116.97 114.37 2d2w h TYR 39 Ca 0.00 -0.50 -0.65 0.00 3.14 0.00 0.00 58.73 60.72 2d2w h TYR 39 Cb 0.50 -0.03 -0.13 0.00 1.54 0.00 0.00 36.73 38.61 2d2w h TYR 39 CO 0.00 1.53 1.27 0.71 -1.64 0.00 0.00 178.16 180.02 2d2w s TYR 40 N -2.52 2.85 0.00 -3.82 2.02 -1.23 -4.52 117.35 110.13 2d2w s TYR 40 Ca -0.14 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.36 2d2w s TYR 40 Cb 0.04 -4.51 0.00 0.00 -0.40 0.00 0.00 41.96 37.09 2d2w s TYR 40 CO 0.85 -1.71 0.00 2.89 -1.57 0.00 0.00 175.55 176.01 2d2w n ARG 41 N 7.69 0.00 -0.35 -0.62 1.85 -1.26 -4.44 116.66 119.53 2d2w n ARG 41 Ca 0.31 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.21 2d2w n ARG 41 Cb 0.49 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.11 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2d2w n THR 42 N -0.85 1.02 -3.14 8.89 -2.24 -1.26 -4.32 114.28 112.38 2d2w n THR 42 Ca 0.00 -0.67 -0.19 0.00 -2.27 0.00 0.00 64.05 60.92 2d2w n THR 42 Cb 0.00 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.56 1.85 -0.29 6.98 0.00 -1.26 -4.89 120.51 123.45 2d2w n ALA 43 Ca 0.15 -3.19 0.08 0.00 0.00 0.00 0.00 53.44 50.48 2d2w n ALA 43 Cb 0.55 -0.91 0.23 0.00 0.00 0.00 0.00 19.45 19.32 2d2w n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2d2w n ASP 44 N 0.80 3.41 -4.36 0.00 8.00 -1.26 -4.81 116.55 118.33 2d2w n ASP 44 Ca 0.22 -2.04 -0.43 0.00 0.71 0.00 0.00 54.79 53.24 2d2w n ASP 44 Cb 0.61 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2d2w n ASP 44 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2d2w n LYS 45 N 0.93 3.12 0.00 -1.24 2.85 -1.26 -3.73 118.16 118.83 2d2w n LYS 45 Ca 0.17 -3.13 0.00 0.00 -1.05 0.00 0.00 58.31 54.30 2d2w n LYS 45 Cb 0.53 -3.43 0.00 0.00 -0.65 0.00 0.00 35.03 31.48 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 5.03 -0.54 1.85 2.58 0.00 -1.26 -4.93 105.19 107.92 2d2w n GLY 46 Ca 0.49 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.56 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 2.09 -0.03 1.61 4.27 -1.24 -4.22 117.44 119.92 2d2w n TRP 47 Ca 0.00 -0.86 -0.01 0.00 -3.89 0.00 0.00 57.50 52.75 2d2w n TRP 47 Cb 0.00 -0.56 -0.00 0.00 -1.36 0.00 0.00 31.31 29.39 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 3.20 0.00 0.00 -2.67 5.75 -1.92 -3.24 115.11 116.23 2d2w h GLN 48 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2d2w h GLN 48 Cb 2.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.57 2d2w h GLN 48 CO 0.56 0.00 0.00 -0.91 -2.65 0.00 0.00 178.83 175.83 2d2w h ASN 49 N -0.57 0.00 0.24 -0.69 4.21 -1.92 -2.88 115.58 113.97 2d2w h ASN 49 Ca 0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 2d2w h ASN 49 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 2d2w h ASN 49 CO 0.00 0.00 -0.48 0.28 -1.29 0.00 0.00 177.43 175.94 2d2w h SER 50 N 0.00 0.30 0.51 5.81 0.02 -1.73 -3.02 113.55 115.44 2d2w h SER 50 Ca 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 2d2w h SER 50 Cb 0.49 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2d2w h SER 50 CO 0.00 0.74 -0.24 0.40 -1.14 0.00 0.00 176.83 176.59 2d2w h ILE 51 N 0.23 0.16 -1.12 3.27 1.08 -1.53 -0.59 117.51 119.01 2d2w h ILE 51 Ca 0.01 -0.50 0.31 0.00 -0.39 0.00 0.00 64.86 64.29 2d2w h ILE 51 Cb 0.93 0.24 -0.09 0.00 -3.07 0.00 0.00 36.82 34.84 2d2w h ILE 51 CO 0.08 0.03 0.74 -0.09 -0.69 0.00 0.00 178.15 178.22 2d2w h ARG 52 N -1.12 0.25 -0.02 2.37 2.43 -1.66 0.62 114.38 117.25 2d2w h ARG 52 Ca -0.07 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 2d2w h ARG 52 Cb 0.58 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2d2w h ARG 52 CO 0.11 0.16 -0.93 1.25 -1.51 0.00 0.00 179.97 179.06 2d2w h HIS 53 N 0.26 0.75 0.00 2.20 2.76 -1.42 -3.26 115.15 116.43 2d2w h HIS 53 Ca 0.62 -0.39 -0.10 0.00 -2.20 0.00 0.00 60.37 58.30 2d2w h HIS 53 Cb 1.85 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.71 2d2w h HIS 53 CO -0.00 1.21 -0.47 -0.91 -1.30 0.00 0.00 177.93 176.46 2d2w h ASN 54 N 0.30 0.00 1.01 3.26 2.35 0.18 -2.82 115.58 119.86 2d2w h ASN 54 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2d2w h ASN 54 Cb 1.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.93 2d2w h ASN 54 CO 0.17 0.47 0.00 0.18 -1.65 0.00 0.00 177.43 176.60 2d2w n LEU 55 N -3.69 0.65 -0.11 1.61 4.77 -0.27 -0.95 117.00 119.00 2d2w n LEU 55 Ca -0.01 0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 56.36 2d2w n LEU 55 Cb 0.54 -0.47 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2d2w n LEU 55 CO 0.39 -0.37 -0.62 -0.24 -1.33 0.00 0.00 177.39 175.22 2d2w n SER 56 N -2.16 1.87 0.10 -1.43 2.88 -1.08 -4.02 113.62 109.77 2d2w n SER 56 Ca 0.04 0.41 -0.17 0.00 -1.33 0.00 0.00 58.87 57.82 2d2w n SER 56 Cb 0.31 -0.95 -0.12 0.00 -0.75 0.00 0.00 64.21 62.70 2d2w n SER 56 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2d2w h LEU 57 N -1.00 0.55 -9.05 2.46 4.07 -1.58 -3.45 115.31 107.32 2d2w h LEU 57 Ca -0.39 -0.54 -0.77 0.00 0.08 0.00 0.00 57.88 56.26 2d2w h LEU 57 Cb 1.34 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.91 2d2w h LEU 57 CO -0.23 1.39 0.89 0.59 -1.08 0.00 0.00 178.44 180.00 2d2w n ASN 58 N -3.63 2.05 0.23 -0.43 5.03 -0.13 -4.78 115.26 113.60 2d2w n ASN 58 Ca -0.10 1.06 0.07 0.00 0.87 0.00 0.00 54.58 56.48 2d2w n ASN 58 Cb 0.98 -1.08 0.54 0.00 -1.02 0.00 0.00 39.78 39.21 2d2w n ASN 58 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2d2w h ARG 59 N 7.00 0.00 -0.78 3.52 3.08 -1.88 -2.20 114.38 123.13 2d2w h ARG 59 Ca -0.44 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.43 2d2w h ARG 59 Cb 1.33 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.27 2d2w h ARG 59 CO 0.97 0.18 0.24 2.48 -1.07 0.00 0.00 179.97 182.77 2d2w n TYR 60 N -4.17 2.23 -4.38 3.04 0.18 -1.26 -4.88 117.16 107.92 2d2w n TYR 60 Ca -0.02 -1.07 -0.19 0.00 1.88 0.00 0.00 57.90 58.50 2d2w n TYR 60 Cb 0.25 -0.63 -0.15 0.00 -0.38 0.00 0.00 39.34 38.43 2d2w n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2d2w s PHE 61 N -2.73 0.83 0.17 -3.48 0.08 -0.83 -2.04 117.98 109.98 2d2w s PHE 61 Ca 0.50 -0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.23 2d2w s PHE 61 Cb 0.40 -0.53 0.03 0.00 -0.57 0.00 0.00 43.02 42.34 2d2w s PHE 61 CO 0.12 -0.01 0.46 0.96 -0.10 0.00 0.00 175.22 176.65 2d2w s ILE 62 N -0.23 0.04 0.35 0.64 -4.36 -0.69 -4.76 121.20 112.20 2d2w s ILE 62 Ca 0.03 -0.78 0.07 0.00 -0.26 0.00 0.00 60.65 59.71 2d2w s ILE 62 Cb -0.04 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.19 2d2w s ILE 62 CO -0.00 -0.20 0.46 -0.54 0.24 0.00 0.00 174.94 174.90 2d2w s LYS 63 N -3.86 3.04 0.12 0.37 1.02 -1.26 -1.58 119.74 117.58 2d2w s LYS 63 Ca 0.08 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 55.07 2d2w s LYS 63 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2d2w s LYS 63 CO -0.05 0.03 -0.17 0.14 -0.92 0.00 0.00 175.35 174.37 2d2w s VAL 64 N -2.21 1.55 0.00 3.17 -7.23 -1.09 -4.84 120.40 109.74 2d2w s VAL 64 Ca 0.46 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2d2w s VAL 64 Cb -0.09 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2d2w s VAL 64 CO 0.31 -0.27 0.00 -0.81 -0.31 0.00 0.00 175.10 174.02 2d2w n PRO 65 N 0.70 0.16 0.00 4.82 -0.04 -1.26 -4.48 135.00 134.89 2d2w n PRO 65 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2d2w n PRO 65 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.76 0.00 0.00 0.54 0.63 -1.26 -4.92 116.66 110.90 2d2w n ARG 66 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2d2w n ARG 66 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2d2w n ARG 66 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2d2w n SER 67 N 0.00 0.00 -4.63 6.15 3.41 -1.26 -5.13 113.62 112.15 2d2w n SER 67 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2d2w n SER 67 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2d2w n SER 67 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2d2w s GLN 68 N -1.00 2.26 -0.10 4.33 0.74 -1.26 -5.04 119.66 119.60 2d2w s GLN 68 Ca 0.00 -1.39 0.18 0.00 0.05 0.00 0.00 55.36 54.19 2d2w s GLN 68 Cb 0.00 -2.16 0.39 0.00 1.10 0.00 0.00 33.01 32.34 2d2w s GLN 68 CO 0.00 0.38 1.18 -1.91 -0.55 0.00 0.00 175.29 174.39 2d2w n GLU 69 N -0.75 0.75 -0.07 1.67 2.13 -1.26 -4.77 120.64 118.34 2d2w n GLU 69 Ca -0.07 -2.54 -0.14 0.00 0.66 0.00 0.00 57.16 55.07 2d2w n GLU 69 Cb 0.58 -0.81 -0.12 0.00 0.27 0.00 0.00 31.44 31.36 2d2w n GLU 69 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2d2w h GLU 70 N 0.89 0.00 0.10 5.31 4.22 -1.97 -3.37 114.58 119.75 2d2w h GLU 70 Ca -0.11 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.06 2d2w h GLU 70 Cb 1.43 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.70 2d2w h GLU 70 CO 0.05 0.96 -1.18 -1.00 -2.18 0.00 0.00 179.01 175.66 2d2w h PRO 71 N -1.00 0.46 0.00 0.92 0.13 -2.05 -3.49 132.00 126.97 2d2w h PRO 71 Ca -0.02 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2d2w h PRO 71 Cb 0.98 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2d2w h PRO 71 CO -0.01 1.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 2d2w n GLY 72 N 1.33 2.06 0.00 1.56 0.00 -1.26 -5.12 105.19 103.75 2d2w n GLY 72 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.09 1.61 4.01 -1.26 -4.33 118.16 114.10 2d2w n LYS 73 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 2d2w n LYS 73 Cb 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.40 2d2w n LYS 73 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2d2w s GLY 74 N -1.51 0.54 0.00 0.72 0.00 -1.26 -4.52 107.32 101.30 2d2w s GLY 74 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2d2w s GLY 74 CO 0.00 -0.80 0.00 -1.14 0.00 0.00 0.00 173.10 171.16 2d2w n SER 75 N 1.57 0.36 -4.69 1.64 3.41 -1.26 -5.05 113.62 109.60 2d2w n SER 75 Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 2d2w n SER 75 Cb 0.55 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2d2w n SER 75 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2d2w s PHE 76 N -1.09 3.19 0.23 7.33 2.19 -1.26 -4.08 117.98 124.49 2d2w s PHE 76 Ca 0.00 1.21 0.08 0.00 0.33 0.00 0.00 56.93 58.55 2d2w s PHE 76 Cb 0.00 -3.42 -0.05 0.00 -1.31 0.00 0.00 43.02 38.24 2d2w s PHE 76 CO 0.00 -1.33 -0.14 1.67 1.83 0.00 0.00 175.22 177.26 2d2w s TRP 77 N 2.20 1.85 0.21 10.12 1.48 -1.08 -2.67 118.94 131.05 2d2w s TRP 77 Ca 0.56 -0.56 -0.02 0.00 -1.06 0.00 0.00 56.10 55.02 2d2w s TRP 77 Cb -0.25 -0.89 0.01 0.00 -1.16 0.00 0.00 33.47 31.18 2d2w s TRP 77 CO 0.22 0.40 0.32 2.89 -4.06 0.00 0.00 176.95 176.72 2d2w n ARG 78 N -0.46 0.46 -3.70 3.25 1.85 -0.62 -1.63 116.66 115.80 2d2w n ARG 78 Ca -0.07 -1.59 -0.26 0.00 -1.00 0.00 0.00 57.85 54.94 2d2w n ARG 78 Cb 0.61 1.59 -0.03 0.00 -1.05 0.00 0.00 32.46 33.58 2d2w n ARG 78 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2d2w s ILE 79 N -2.63 5.21 0.66 8.89 -4.36 -1.21 -1.69 121.20 126.06 2d2w s ILE 79 Ca 0.16 -0.51 -0.18 0.00 -0.26 0.00 0.00 60.65 59.86 2d2w s ILE 79 Cb -0.01 -3.78 -0.01 0.00 1.25 0.00 0.00 42.46 39.92 2d2w s ILE 79 CO 0.11 -0.26 1.24 -0.67 0.24 0.00 0.00 174.94 175.60 2d2w n ASP 80 N -0.97 1.81 0.10 4.36 2.03 -0.86 -4.80 116.55 118.22 2d2w n ASP 80 Ca -0.06 0.81 -0.23 0.00 0.52 0.00 0.00 54.79 55.83 2d2w n ASP 80 Cb 0.55 -1.53 -0.14 0.00 -0.72 0.00 0.00 41.12 39.28 2d2w n ASP 80 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2d2w h PRO 81 N 0.41 0.58 -0.44 -0.67 0.13 -1.96 -2.96 132.00 127.09 2d2w h PRO 81 Ca -0.50 -0.84 0.00 0.00 -0.87 0.00 0.00 66.00 63.79 2d2w h PRO 81 Cb 1.34 0.29 0.00 0.00 0.13 0.00 0.00 31.00 32.76 2d2w h PRO 81 CO 0.52 1.39 0.00 0.00 -0.23 0.00 0.00 178.00 179.68 2d2w n ALA 82 N -2.69 2.55 -0.01 -0.56 0.00 -1.26 -3.58 120.51 114.96 2d2w n ALA 82 Ca -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2d2w n ALA 82 Cb 1.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.56 0.15 -0.23 0.00 7.64 -1.23 -4.71 113.62 115.79 2d2w n SER 83 Ca 0.13 -0.55 -0.03 0.00 1.01 0.00 0.00 58.87 59.43 2d2w n SER 83 Cb 0.38 0.77 0.07 0.00 -1.01 0.00 0.00 64.21 64.42 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 0.00 0.77 0.00 1.43 4.22 -1.57 0.12 114.58 119.55 2d2w h GLU 84 Ca 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 2d2w h GLU 84 Cb 0.01 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2d2w h GLU 84 CO 0.00 0.51 -0.00 0.00 -2.18 0.00 0.00 179.01 177.34 2d2w h ALA 85 N 1.29 1.02 0.00 2.92 0.00 -1.84 -1.78 119.26 120.87 2d2w h ALA 85 Ca 0.27 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2d2w h ALA 85 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2d2w h ALA 85 CO -0.12 0.00 -0.79 -0.22 0.00 0.00 0.00 179.25 178.13 2d2w h LYS 86 N 0.00 0.00 0.04 0.00 3.64 -1.20 -3.35 116.57 115.69 2d2w h LYS 86 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2d2w h LYS 86 Cb 0.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2d2w h LYS 86 CO 0.00 0.39 -0.28 1.37 -2.27 0.00 0.00 179.45 178.66 2d2w h LEU 87 N -1.00 -0.82 -1.92 5.20 -0.00 -0.80 0.32 115.31 116.28 2d2w h LEU 87 Ca -0.13 0.11 0.46 0.00 -0.00 0.00 0.00 57.88 58.31 2d2w h LEU 87 Cb 0.81 0.33 -0.07 0.00 -0.00 0.00 0.00 40.66 41.72 2d2w h LEU 87 CO -0.08 -0.36 1.13 -0.37 -0.00 0.00 0.00 178.44 178.76 2d2w h VAL 88 N -0.45 0.19 -0.20 0.15 -1.51 -1.54 0.29 116.25 113.18 2d2w h VAL 88 Ca 0.05 -0.01 0.05 0.00 -1.23 0.00 0.00 66.70 65.57 2d2w h VAL 88 Cb 0.52 0.16 -0.06 0.00 -2.13 0.00 0.00 31.29 29.78 2d2w h VAL 88 CO -0.21 0.00 -0.16 -0.33 -1.23 0.00 0.00 177.57 175.64 2d2w h GLU 89 N 0.02 -0.15 0.00 5.19 4.39 -1.06 0.43 114.58 123.39 2d2w h GLU 89 Ca 0.78 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.49 2d2w h GLU 89 Cb 3.02 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 31.70 2d2w h GLU 89 CO -0.06 -0.10 0.00 1.96 -1.16 0.00 0.00 179.01 179.65 2d2w h GLN 90 N -0.16 0.00 0.33 2.33 4.20 -0.55 -2.87 115.11 118.39 2d2w h GLN 90 Ca 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2d2w h GLN 90 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2d2w h GLN 90 CO -0.30 0.00 -0.16 0.00 -0.67 0.00 0.00 178.83 177.70 2d2w h ALA 91 N 2.12 -0.45 0.00 3.87 0.00 0.47 -2.86 119.26 122.41 2d2w h ALA 91 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2d2w h ALA 91 Cb 0.58 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2d2w h ALA 91 CO 0.00 -0.64 -0.20 0.74 0.00 0.00 0.00 179.25 179.15 2d2w h PHE 92 N -0.67 0.00 -4.17 0.00 0.04 -1.25 -3.44 116.94 107.44 2d2w h PHE 92 Ca -0.05 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.21 2d2w h PHE 92 Cb 0.47 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.73 2d2w h PHE 92 CO -0.00 0.20 0.39 0.50 -0.60 0.00 0.00 178.31 178.80 2d2w s ARG 93 N -3.71 2.79 0.37 1.51 3.00 -1.08 -5.05 118.95 116.78 2d2w s ARG 93 Ca 0.00 1.50 0.05 0.00 -1.00 0.00 0.00 55.73 56.28 2d2w s ARG 93 Cb 0.10 -1.94 -0.06 0.00 0.00 0.00 0.00 34.95 33.05 2d2w s ARG 93 CO 0.62 -1.28 0.04 0.15 0.00 0.00 0.00 175.30 174.84 2d2w s LYS 94 N -3.91 1.82 0.24 5.12 3.01 -1.26 -4.92 119.74 119.83 2d2w s LYS 94 Ca 0.69 -2.04 0.01 0.00 -1.01 0.00 0.00 55.97 53.62 2d2w s LYS 94 Cb -0.23 -1.17 -0.05 0.00 -1.01 0.00 0.00 37.83 35.37 2d2w s LYS 94 CO 0.39 -0.17 0.11 -0.98 0.51 0.00 0.00 175.35 175.22 2d2w s ARG 95 N -3.81 1.35 -0.29 1.68 1.04 -1.20 -5.07 118.95 112.65 2d2w s ARG 95 Ca 0.33 -1.73 -0.17 0.00 -1.04 0.00 0.00 55.73 53.13 2d2w s ARG 95 Cb 0.08 -0.08 0.18 0.00 -2.04 0.00 0.00 34.95 33.09 2d2w s ARG 95 CO 0.16 -0.33 1.14 0.50 -0.04 0.00 0.00 175.30 176.73 2d2w s ARG 96 N -4.07 0.21 0.00 3.89 3.52 -1.26 -4.61 118.95 116.63 2d2w s ARG 96 Ca 0.38 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 2d2w s ARG 96 Cb 0.07 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2d2w s ARG 96 CO 0.13 -0.04 0.00 1.04 -0.81 0.00 0.00 175.30 175.62 2d2w n GLN 97 N 3.20 0.00 -2.78 5.12 6.02 -1.26 -4.92 117.38 122.76 2d2w n GLN 97 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2d2w n GLN 97 Cb 0.57 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.88 2d2w n GLN 97 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2d2w n ARG 98 N 0.00 1.64 -4.49 -1.09 1.85 -1.26 -5.07 116.66 108.24 2d2w n ARG 98 Ca 0.00 -3.34 -0.20 0.00 -1.00 0.00 0.00 57.85 53.31 2d2w n ARG 98 Cb 0.00 -1.45 -0.15 0.00 -1.05 0.00 0.00 32.46 29.81 2d2w n ARG 98 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2d2w s GLY 99 N -3.61 0.59 0.58 2.89 0.00 -1.26 -5.01 107.32 101.50 2d2w s GLY 99 Ca 0.26 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2d2w s GLY 99 CO -0.05 -0.46 0.82 -1.34 0.00 0.00 0.00 173.10 172.07 2d2w s VAL 100 N -0.35 2.57 -2.00 1.40 -7.23 -1.26 -4.91 120.40 108.62 2d2w s VAL 100 Ca 0.04 -0.63 0.24 0.00 -1.81 0.00 0.00 61.98 59.82 2d2w s VAL 100 Cb -0.05 -2.94 0.67 0.00 0.56 0.00 0.00 36.38 34.62 2d2w s VAL 100 CO -0.00 0.00 1.78 -1.54 -0.31 0.00 0.00 175.10 175.03