#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d2w s SER 2 N 0.00 -0.46 -0.12 -1.84 1.04 -1.26 -5.08 113.70 105.99 2d2w s SER 2 Ca 0.00 -0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 2d2w s SER 2 Cb 0.00 0.64 -0.13 0.00 0.10 0.00 0.00 66.02 66.63 2d2w s SER 2 CO 0.00 -1.09 0.42 0.50 0.98 0.00 0.00 173.24 174.05 2d2w h LYS 3 N 2.01 -0.02 -6.62 4.02 3.64 -2.03 -3.43 116.57 114.14 2d2w h LYS 3 Ca -0.29 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.53 2d2w h LYS 3 Cb 1.29 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 2d2w h LYS 3 CO 0.33 0.48 1.00 -1.25 -2.27 0.00 0.00 179.45 177.74 2d2w s PRO 4 N -1.99 3.64 -0.11 1.90 0.04 -1.26 -4.80 135.00 132.42 2d2w s PRO 4 Ca -0.10 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 61.48 2d2w s PRO 4 Cb -0.01 -3.97 -0.17 0.00 0.04 0.00 0.00 34.50 30.38 2d2w s PRO 4 CO 0.35 -1.49 0.59 -1.00 0.04 0.00 0.00 177.00 175.50 2d2w h PRO 5 N 9.98 -0.03 -6.66 0.56 0.13 -2.03 -3.46 132.00 130.49 2d2w h PRO 5 Ca -0.25 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.22 2d2w h PRO 5 Cb 1.08 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 31.98 2d2w h PRO 5 CO 1.11 0.60 -0.86 0.71 -0.23 0.00 0.00 178.00 179.33 2d2w s TYR 6 N -2.28 2.19 1.08 1.56 2.02 -1.26 -4.88 117.35 115.78 2d2w s TYR 6 Ca -0.13 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 55.97 2d2w s TYR 6 Cb -0.02 -1.24 0.03 0.00 -0.40 0.00 0.00 41.96 40.33 2d2w s TYR 6 CO 0.47 0.22 -0.43 0.43 -1.57 0.00 0.00 175.55 174.68 2d2w n SER 7 N 1.33 -2.57 -0.52 2.29 7.64 -1.26 -4.37 113.62 116.16 2d2w n SER 7 Ca -0.18 -0.11 0.04 0.00 1.01 0.00 0.00 58.87 59.63 2d2w n SER 7 Cb 0.53 -0.81 0.11 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 -4.19 0.37 -0.02 1.43 4.01 -1.26 -0.69 117.16 116.81 2d2w n TYR 8 Ca -0.00 -0.17 -0.03 0.00 -0.16 0.00 0.00 57.90 57.54 2d2w n TYR 8 Cb 0.65 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.20 1.90 0.02 -0.72 0.00 -1.26 -4.34 120.51 116.31 2d2w n ALA 9 Ca 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 2d2w n ALA 9 Cb 0.26 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.38 0.62 0.06 0.00 7.27 -1.23 -2.99 117.38 118.73 2d2w n GLN 10 Ca -0.07 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.21 2d2w n GLN 10 Cb 0.61 -1.79 0.32 0.00 2.41 0.00 0.00 30.24 31.79 2d2w n GLN 10 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2d2w h LEU 11 N 0.00 0.37 0.03 1.69 5.85 -1.11 -1.70 115.31 120.44 2d2w h LEU 11 Ca -0.18 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2d2w h LEU 11 Cb 1.60 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.53 2d2w h LEU 11 CO 0.04 0.52 -0.02 0.40 -0.34 0.00 0.00 178.44 179.04 2d2w h ILE 12 N 0.36 1.40 -0.87 4.05 1.08 -1.75 -2.22 117.51 119.56 2d2w h ILE 12 Ca 0.07 -1.53 0.22 0.00 -0.39 0.00 0.00 64.86 63.23 2d2w h ILE 12 Cb 0.42 2.39 -0.05 0.00 -3.07 0.00 0.00 36.82 36.51 2d2w h ILE 12 CO 0.02 0.38 0.59 0.58 -0.69 0.00 0.00 178.15 179.04 2d2w h VAL 13 N -0.73 0.64 0.03 1.67 2.07 -1.39 0.81 116.25 119.35 2d2w h VAL 13 Ca -0.00 -0.09 -0.22 0.00 0.82 0.00 0.00 66.70 67.21 2d2w h VAL 13 Cb 0.65 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2d2w h VAL 13 CO 0.01 0.05 -0.97 -0.61 0.02 0.00 0.00 177.57 176.06 2d2w h GLN 14 N 0.25 0.21 0.76 1.57 4.15 -1.29 -2.62 115.11 118.13 2d2w h GLN 14 Ca 0.44 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2d2w h GLN 14 Cb 1.32 0.08 0.01 0.00 0.21 0.00 0.00 27.48 29.11 2d2w h GLN 14 CO -0.11 1.03 -0.36 0.00 -1.93 0.00 0.00 178.83 177.45 2d2w h ALA 15 N 0.87 -1.27 0.00 3.38 0.00 0.13 -2.72 119.26 119.65 2d2w h ALA 15 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2d2w h ALA 15 Cb 1.64 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2d2w h ALA 15 CO 0.15 -1.20 0.00 -0.84 0.00 0.00 0.00 179.25 177.36 2d2w h ILE 16 N -1.02 0.00 0.00 0.00 -0.00 -1.42 -1.75 117.51 113.33 2d2w h ILE 16 Ca -0.10 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.42 2d2w h ILE 16 Cb 0.78 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 38.91 2d2w h ILE 16 CO 0.17 0.00 0.06 0.28 -0.00 0.00 0.00 178.15 178.67 2d2w h SER 17 N 0.00 0.00 0.00 2.16 0.02 -1.13 0.58 113.55 115.18 2d2w h SER 17 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2d2w h SER 17 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2d2w h SER 17 CO 0.00 0.00 -0.94 -0.24 -1.14 0.00 0.00 176.83 174.51 2d2w n SER 18 N -2.57 1.27 -4.71 3.07 2.88 -0.67 -5.00 113.62 107.90 2d2w n SER 18 Ca -0.02 -0.45 -0.36 0.00 -1.33 0.00 0.00 58.87 56.71 2d2w n SER 18 Cb 0.11 1.22 0.09 0.00 -0.75 0.00 0.00 64.21 64.88 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 -1.53 0.67 -0.12 -1.46 0.00 0.19 -4.89 120.51 113.38 2d2w n ALA 19 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2d2w n ALA 19 Cb 0.23 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 -2.33 0.00 0.00 0.00 3.00 -1.26 -4.15 117.38 112.64 2d2w n GLN 20 Ca 0.15 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 2d2w n GLN 20 Cb 0.49 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.29 2d2w n GLN 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2d2w n ASP 21 N -2.63 0.00 0.00 1.08 -0.08 -1.26 -4.99 116.55 108.67 2d2w n ASP 21 Ca 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2d2w n ASP 21 Cb 0.00 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.02 2d2w n ASP 21 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2d2w n ARG 22 N -2.11 0.00 -3.78 -0.67 1.74 -1.26 -4.96 116.66 105.63 2d2w n ARG 22 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2d2w n ARG 22 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 2d2w n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2d2w s GLN 23 N 0.00 0.14 0.26 5.56 -2.07 -1.26 -2.92 119.66 119.38 2d2w s GLN 23 Ca 0.00 0.30 0.04 0.00 -1.82 0.00 0.00 55.36 53.88 2d2w s GLN 23 Cb 0.00 -0.04 -0.06 0.00 -1.09 0.00 0.00 33.01 31.82 2d2w s GLN 23 CO 0.00 -0.09 0.01 -0.51 -1.32 0.00 0.00 175.29 173.37 2d2w s LEU 24 N 0.64 2.22 0.95 2.60 2.01 -1.03 -4.79 118.68 121.28 2d2w s LEU 24 Ca -0.05 -1.26 -0.15 0.00 0.01 0.00 0.00 54.13 52.68 2d2w s LEU 24 Cb -0.06 -0.36 0.18 0.00 0.01 0.00 0.00 46.19 45.96 2d2w s LEU 24 CO -0.03 -0.51 1.24 0.42 1.01 0.00 0.00 176.35 178.47 2d2w s THR 25 N -3.33 1.95 0.46 5.49 -4.23 -1.26 -2.72 115.64 111.99 2d2w s THR 25 Ca 0.31 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.96 2d2w s THR 25 Cb 0.06 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 71.31 2d2w s THR 25 CO 0.11 0.00 2.04 0.25 -0.54 0.00 0.00 174.62 176.48 2d2w h LEU 26 N -1.62 0.28 -4.00 4.79 6.46 -1.96 0.66 115.31 119.92 2d2w h LEU 26 Ca -0.46 0.00 -0.62 0.00 -0.12 0.00 0.00 57.88 56.68 2d2w h LEU 26 Cb 1.28 -0.06 -0.30 0.00 -0.73 0.00 0.00 40.66 40.85 2d2w h LEU 26 CO 0.47 0.18 0.80 -1.20 -0.62 0.00 0.00 178.44 178.07 2d2w n SER 27 N -4.47 6.28 -0.13 1.25 7.64 -1.26 -4.35 113.62 118.58 2d2w n SER 27 Ca 0.06 -3.73 -0.25 0.00 1.01 0.00 0.00 58.87 55.96 2d2w n SER 27 Cb 0.26 -0.93 -0.10 0.00 -1.01 0.00 0.00 64.21 62.44 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 -1.00 -0.40 0.40 0.23 0.00 0.22 -4.03 105.19 100.62 2d2w n GLY 28 Ca 0.62 -0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.68 0.71 -0.13 -0.61 2.10 -1.76 0.18 117.51 117.32 2d2w h ILE 29 Ca -0.63 -0.01 -0.05 0.00 1.08 0.00 0.00 64.86 65.25 2d2w h ILE 29 Cb 1.65 0.67 -0.00 0.00 -1.09 0.00 0.00 36.82 38.04 2d2w h ILE 29 CO -0.31 0.01 -0.10 1.88 -1.08 0.00 0.00 178.15 178.55 2d2w h TYR 30 N 0.04 0.36 0.00 2.19 0.05 -1.83 -1.57 116.97 116.21 2d2w h TYR 30 Ca 0.29 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2d2w h TYR 30 Cb 1.12 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.78 2d2w h TYR 30 CO -0.00 0.67 0.00 0.00 -1.05 0.00 0.00 178.16 177.78 2d2w h ALA 31 N 0.63 1.00 -0.46 3.88 0.00 -0.90 -0.46 119.26 122.95 2d2w h ALA 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d2w h ALA 31 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2d2w h ALA 31 CO 0.03 0.00 0.00 1.58 0.00 0.00 0.00 179.25 180.86 2d2w n HIS 32 N -2.85 0.00 -0.11 0.00 -0.00 0.13 -2.61 115.22 109.79 2d2w n HIS 32 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2d2w n HIS 32 Cb 0.19 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 2d2w n HIS 32 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 2d2w h ILE 33 N 0.00 1.04 -0.09 3.57 -0.00 -1.36 -0.71 117.51 119.96 2d2w h ILE 33 Ca 0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 64.86 64.74 2d2w h ILE 33 Cb 0.00 0.57 -0.00 0.00 -0.00 0.00 0.00 36.82 37.39 2d2w h ILE 33 CO 0.00 0.08 0.10 0.71 -0.00 0.00 0.00 178.15 179.04 2d2w h THR 34 N 0.43 0.48 0.05 2.19 1.35 -1.26 1.49 112.91 117.65 2d2w h THR 34 Ca 0.14 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.75 2d2w h THR 34 Cb -0.00 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.32 2d2w h THR 34 CO -0.06 0.00 -1.23 0.50 -0.25 0.00 0.00 175.52 174.48 2d2w h LYS 35 N 0.00 0.11 -0.47 4.72 1.63 -0.91 -3.29 116.57 118.36 2d2w h LYS 35 Ca 0.04 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2d2w h LYS 35 Cb 0.25 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2d2w h LYS 35 CO -0.00 1.02 0.00 0.72 -3.45 0.00 0.00 179.45 177.74 2d2w n HIS 36 N -3.38 0.77 -3.69 1.91 8.25 -0.10 -4.90 115.22 114.08 2d2w n HIS 36 Ca -0.07 -0.56 -0.16 0.00 -0.26 0.00 0.00 57.72 56.68 2d2w n HIS 36 Cb 0.99 -0.08 -0.15 0.00 1.12 0.00 0.00 29.99 31.87 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 -1.32 -0.17 0.10 4.41 1.51 0.49 -5.02 117.35 117.37 2d2w s TYR 37 Ca 0.35 0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 56.90 2d2w s TYR 37 Cb 0.20 -0.22 -0.17 0.00 -0.11 0.00 0.00 41.96 41.66 2d2w s TYR 37 CO 0.20 -0.24 1.23 -1.00 -1.11 0.00 0.00 175.55 174.64 2d2w h PRO 38 N 8.04 0.47 -0.60 -1.71 0.13 -1.83 -3.25 132.00 133.25 2d2w h PRO 38 Ca -0.22 -0.56 0.02 0.00 -0.87 0.00 0.00 66.00 64.37 2d2w h PRO 38 Cb 1.12 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2d2w h PRO 38 CO 0.23 1.20 0.40 -0.92 -0.23 0.00 0.00 178.00 178.67 2d2w h TYR 39 N 0.24 0.72 -0.46 1.56 5.03 -1.94 -1.11 116.97 121.01 2d2w h TYR 39 Ca -0.11 0.02 -0.30 0.00 2.58 0.00 0.00 58.73 60.92 2d2w h TYR 39 Cb 1.71 -0.24 -0.14 0.00 1.55 0.00 0.00 36.73 39.61 2d2w h TYR 39 CO 0.08 0.44 0.39 0.66 -1.32 0.00 0.00 178.16 178.40 2d2w n TYR 40 N -4.45 1.49 -0.12 -3.82 4.02 -1.23 -4.17 117.16 108.88 2d2w n TYR 40 Ca 0.06 -1.76 -0.25 0.00 -0.01 0.00 0.00 57.90 55.95 2d2w n TYR 40 Cb 0.08 -0.86 -0.08 0.00 -0.02 0.00 0.00 39.34 38.46 2d2w n TYR 40 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2d2w n ARG 41 N 0.23 0.50 -2.05 -0.72 0.63 -0.42 -4.40 116.66 110.42 2d2w n ARG 41 Ca 0.29 0.21 -0.26 0.00 -0.92 0.00 0.00 57.85 57.17 2d2w n ARG 41 Cb 0.69 -1.33 0.02 0.00 0.45 0.00 0.00 32.46 32.28 2d2w n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2d2w n THR 42 N -4.01 2.62 -3.06 5.15 -2.24 -1.26 -4.88 114.28 106.60 2d2w n THR 42 Ca -0.46 -4.26 0.03 0.00 -2.27 0.00 0.00 64.05 57.09 2d2w n THR 42 Cb 0.83 -1.17 -0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.62 -3.29 -0.02 6.98 0.00 -1.26 -5.02 121.76 115.52 2d2w s ALA 43 Ca 0.52 0.92 0.17 0.00 0.00 0.00 0.00 51.96 53.57 2d2w s ALA 43 Cb 0.42 -2.79 0.30 0.00 0.00 0.00 0.00 23.12 21.04 2d2w s ALA 43 CO -0.02 -2.19 1.12 -0.40 0.00 0.00 0.00 175.76 174.27 2d2w n ASP 44 N 4.57 0.82 -3.71 0.00 5.75 -1.26 -4.68 116.55 118.04 2d2w n ASP 44 Ca 0.08 -2.20 -0.41 0.00 -0.01 0.00 0.00 54.79 52.24 2d2w n ASP 44 Cb 0.58 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2d2w n ASP 44 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2d2w n LYS 45 N 0.14 4.05 0.00 0.11 4.81 -1.26 -3.87 118.16 122.14 2d2w n LYS 45 Ca 0.06 -3.52 0.00 0.00 -0.87 0.00 0.00 58.31 53.98 2d2w n LYS 45 Cb 0.96 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 33.22 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 2.32 -2.05 0.00 3.14 0.00 -1.26 -4.92 105.19 102.41 2d2w n GLY 46 Ca 0.49 0.67 0.10 0.00 0.00 0.00 0.00 46.02 47.28 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 0.03 1.61 4.27 -1.26 -3.84 117.44 118.25 2d2w n TRP 47 Ca 0.00 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.60 2d2w n TRP 47 Cb 0.00 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 29.94 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 -0.08 0.00 -2.67 5.75 -1.92 -2.71 115.11 113.48 2d2w h GLN 48 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2d2w h GLN 48 Cb 0.00 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.57 2d2w h GLN 48 CO 0.00 -0.06 0.00 0.27 -2.65 0.00 0.00 178.83 176.39 2d2w n ASN 49 N -2.27 0.52 0.10 -0.69 0.23 -1.25 -2.50 115.26 109.40 2d2w n ASN 49 Ca -0.01 0.63 -0.04 0.00 -0.53 0.00 0.00 54.58 54.63 2d2w n ASN 49 Cb 0.03 -0.74 0.14 0.00 -2.08 0.00 0.00 39.78 37.13 2d2w n ASN 49 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2d2w h SER 50 N 0.00 0.22 0.31 0.53 0.87 -1.64 -2.89 113.55 110.96 2d2w h SER 50 Ca 0.00 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2d2w h SER 50 Cb 0.33 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2d2w h SER 50 CO 0.00 0.76 -0.15 0.40 -0.53 0.00 0.00 176.83 177.30 2d2w h ILE 51 N 0.15 0.48 -0.76 2.23 5.03 -1.17 0.19 117.51 123.65 2d2w h ILE 51 Ca -0.00 -0.78 0.16 0.00 -0.12 0.00 0.00 64.86 64.12 2d2w h ILE 51 Cb 1.07 0.76 -0.11 0.00 -3.03 0.00 0.00 36.82 35.51 2d2w h ILE 51 CO 0.09 0.11 0.24 -0.09 -0.68 0.00 0.00 178.15 177.81 2d2w h ARG 52 N -0.96 0.32 0.00 2.37 1.12 -1.65 0.29 114.38 115.87 2d2w h ARG 52 Ca -0.04 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.71 2d2w h ARG 52 Cb 0.50 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2d2w h ARG 52 CO 0.07 0.21 -0.49 1.25 -3.11 0.00 0.00 179.97 177.90 2d2w h HIS 53 N 0.33 0.00 0.06 2.20 2.76 -1.53 -3.07 115.15 115.91 2d2w h HIS 53 Ca 0.43 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2d2w h HIS 53 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2d2w h HIS 53 CO -0.22 0.49 -0.03 -0.91 -1.30 0.00 0.00 177.93 175.96 2d2w h ASN 54 N 0.00 -0.07 0.00 3.26 2.35 0.27 -1.90 115.58 119.49 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 1.12 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2d2w h ASN 54 CO 0.06 -0.02 0.18 0.17 -1.65 0.00 0.00 177.43 176.18 2d2w h LEU 55 N -0.16 0.00 0.10 1.61 -0.00 -1.40 0.20 115.31 115.67 2d2w h LEU 55 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.70 2d2w h LEU 55 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.74 2d2w h LEU 55 CO 0.01 0.00 -0.81 -1.28 -0.00 0.00 0.00 178.44 176.37 2d2w h SER 56 N 0.00 0.34 -0.38 0.17 0.87 -1.50 -3.28 113.55 109.78 2d2w h SER 56 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2d2w h SER 56 Cb 0.36 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2d2w h SER 56 CO 0.00 1.37 0.00 0.00 -0.53 0.00 0.00 176.83 177.67 2d2w n LEU 57 N -4.19 2.29 -4.92 2.23 -0.00 -0.14 -4.91 117.00 107.36 2d2w n LEU 57 Ca -0.16 -1.15 -0.27 0.00 -0.00 0.00 0.00 56.01 54.43 2d2w n LEU 57 Cb 0.77 -0.31 0.06 0.00 -0.00 0.00 0.00 43.42 43.94 2d2w n LEU 57 CO 0.43 0.51 0.64 0.20 -0.00 0.00 0.00 177.39 179.17 2d2w s ASN 58 N -0.92 4.94 -0.19 1.45 0.02 0.53 -5.03 114.94 115.75 2d2w s ASN 58 Ca 0.27 0.61 -0.17 0.00 -1.02 0.00 0.00 52.86 52.54 2d2w s ASN 58 Cb 0.15 -1.30 -0.21 0.00 0.02 0.00 0.00 41.25 39.91 2d2w s ASN 58 CO 0.17 -1.54 0.23 -1.14 0.02 0.00 0.00 177.10 174.84 2d2w n ARG 59 N -2.94 0.62 0.13 -0.60 3.00 -1.26 -4.35 116.66 111.26 2d2w n ARG 59 Ca 0.07 0.48 0.04 0.00 -0.00 0.00 0.00 57.85 58.44 2d2w n ARG 59 Cb 0.60 -1.73 0.02 0.00 0.00 0.00 0.00 32.46 31.35 2d2w n ARG 59 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 2d2w h TYR 60 N -0.70 0.00 -3.69 -0.14 -0.00 -1.95 -3.45 116.97 107.02 2d2w h TYR 60 Ca -0.38 0.00 -0.50 0.00 0.00 0.00 0.00 58.73 57.85 2d2w h TYR 60 Cb 1.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.23 2d2w h TYR 60 CO 0.09 0.40 0.37 -0.06 -0.00 0.00 0.00 178.16 178.96 2d2w s PHE 61 N -3.02 3.89 0.37 0.10 0.08 -1.26 -0.66 117.98 117.48 2d2w s PHE 61 Ca 0.03 1.86 0.03 0.00 0.12 0.00 0.00 56.93 58.97 2d2w s PHE 61 Cb 0.08 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 2d2w s PHE 61 CO 0.75 0.27 0.10 0.96 -0.10 0.00 0.00 175.22 177.19 2d2w s ILE 62 N -0.81 0.82 0.03 0.64 -4.36 -0.28 -4.66 121.20 112.57 2d2w s ILE 62 Ca 0.43 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.89 2d2w s ILE 62 Cb -0.26 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 2d2w s ILE 62 CO 0.32 0.00 -0.20 -0.54 0.24 0.00 0.00 174.94 174.76 2d2w s LYS 63 N -3.80 1.40 -0.81 0.37 -0.14 -1.26 -2.83 119.74 112.66 2d2w s LYS 63 Ca 0.29 -0.86 0.01 0.00 -1.36 0.00 0.00 55.97 54.05 2d2w s LYS 63 Cb 0.05 -1.46 0.20 0.00 -1.68 0.00 0.00 37.83 34.94 2d2w s LYS 63 CO 0.14 0.38 0.65 0.08 -0.76 0.00 0.00 175.35 175.85 2d2w s VAL 64 N -0.71 3.76 1.02 3.17 1.01 -0.89 -4.93 120.40 122.83 2d2w s VAL 64 Ca 0.07 -3.98 -0.17 0.00 0.00 0.00 0.00 61.98 57.90 2d2w s VAL 64 Cb -0.08 -3.38 0.22 0.00 0.00 0.00 0.00 36.38 33.14 2d2w s VAL 64 CO 0.01 -1.04 1.28 -2.16 0.00 0.00 0.00 175.10 173.19 2d2w s PRO 65 N -1.33 0.18 0.14 2.72 0.04 -1.26 -4.47 135.00 131.02 2d2w s PRO 65 Ca 0.26 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2d2w s PRO 65 Cb -0.07 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2d2w s PRO 65 CO -0.13 -2.73 0.00 0.54 0.04 0.00 0.00 177.00 174.72 2d2w n ARG 66 N -4.00 0.00 -3.79 4.56 5.12 -1.26 -5.11 116.66 112.18 2d2w n ARG 66 Ca 0.15 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.94 2d2w n ARG 66 Cb 0.59 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.79 2d2w n ARG 66 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2d2w s SER 67 N -2.47 -0.20 -0.61 0.55 1.04 -1.26 -5.08 113.70 105.67 2d2w s SER 67 Ca 0.00 0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.75 2d2w s SER 67 Cb 0.00 0.42 0.30 0.00 0.10 0.00 0.00 66.02 66.84 2d2w s SER 67 CO 0.00 -0.26 0.85 0.00 0.98 0.00 0.00 173.24 174.81 2d2w n GLN 68 N 2.11 2.90 0.00 4.02 10.64 -1.26 -4.86 117.38 130.93 2d2w n GLN 68 Ca -0.18 -4.77 0.00 0.00 -1.83 0.00 0.00 57.00 50.23 2d2w n GLN 68 Cb 0.57 -2.24 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 2d2w n GLN 68 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2d2w n GLU 69 N 0.27 0.00 -4.12 2.61 1.02 -1.26 -5.08 120.64 114.07 2d2w n GLU 69 Ca 0.30 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.22 2d2w n GLU 69 Cb 0.40 -0.04 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 2d2w n GLU 69 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2d2w s GLU 70 N -0.58 2.88 -1.56 3.49 -1.05 -1.26 -5.01 118.70 115.61 2d2w s GLU 70 Ca 0.00 -1.06 -0.12 0.00 -0.15 0.00 0.00 54.97 53.65 2d2w s GLU 70 Cb 0.00 -2.54 -0.03 0.00 -0.44 0.00 0.00 34.13 31.11 2d2w s GLU 70 CO 0.00 0.41 2.66 -0.35 0.95 0.00 0.00 175.26 178.93 2d2w n PRO 71 N -1.05 3.38 -0.19 -4.83 -0.04 -1.26 -4.43 135.00 126.59 2d2w n PRO 71 Ca -0.08 -2.39 0.05 0.00 -0.04 0.00 0.00 63.50 61.05 2d2w n PRO 71 Cb 0.58 -2.99 0.14 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.76 3.34 3.64 0.55 0.00 -1.26 -4.98 105.19 110.24 2d2w n GLY 72 Ca 0.68 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2d2w n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d2w s LYS 73 N -1.63 0.72 0.00 1.61 2.20 -1.26 -5.16 119.74 116.22 2d2w s LYS 73 Ca 0.23 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 2d2w s LYS 73 Cb 0.16 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 2d2w s LYS 73 CO 0.09 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2d2w n GLY 74 N 3.22 0.90 3.52 5.54 0.00 -1.26 -5.10 105.19 112.01 2d2w n GLY 74 Ca -0.16 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2d2w n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d2w s SER 75 N -1.00 2.99 -0.30 1.61 0.01 -1.26 -5.05 113.70 110.70 2d2w s SER 75 Ca 0.00 -1.37 -0.09 0.00 1.31 0.00 0.00 55.95 55.81 2d2w s SER 75 Cb 0.00 -0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.20 2d2w s SER 75 CO 0.00 -0.53 0.89 0.12 0.41 0.00 0.00 173.24 174.12 2d2w s PHE 76 N -3.05 -0.92 0.35 2.43 2.19 -1.26 -4.20 117.98 113.52 2d2w s PHE 76 Ca 0.36 0.98 0.07 0.00 0.33 0.00 0.00 56.93 58.67 2d2w s PHE 76 Cb 0.09 0.32 -0.07 0.00 -1.31 0.00 0.00 43.02 42.06 2d2w s PHE 76 CO 0.16 -0.50 -0.03 1.67 1.83 0.00 0.00 175.22 178.35 2d2w s TRP 77 N 2.92 2.29 0.22 10.12 1.48 -1.10 -2.09 118.94 132.78 2d2w s TRP 77 Ca 0.07 -0.67 -0.15 0.00 -1.06 0.00 0.00 56.10 54.29 2d2w s TRP 77 Cb -0.12 -1.46 0.01 0.00 -1.16 0.00 0.00 33.47 30.74 2d2w s TRP 77 CO -0.15 0.39 0.50 -0.98 -4.06 0.00 0.00 176.95 172.65 2d2w s ARG 78 N -3.71 1.48 0.42 3.25 1.70 -1.13 -2.46 118.95 118.50 2d2w s ARG 78 Ca 0.33 -1.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.54 2d2w s ARG 78 Cb 0.06 0.49 -0.00 0.00 -0.57 0.00 0.00 34.95 34.93 2d2w s ARG 78 CO 0.16 -0.62 0.60 -1.50 -1.08 0.00 0.00 175.30 172.86 2d2w s ILE 79 N -3.95 3.83 0.53 4.99 2.07 -1.15 -1.12 121.20 126.40 2d2w s ILE 79 Ca 0.16 -0.72 -0.22 0.00 -1.41 0.00 0.00 60.65 58.46 2d2w s ILE 79 Cb -0.01 -3.38 -0.05 0.00 0.13 0.00 0.00 42.46 39.15 2d2w s ILE 79 CO 0.04 -0.22 1.36 -0.67 -1.91 0.00 0.00 174.94 173.54 2d2w n ASP 80 N -1.94 2.74 0.12 4.50 2.03 0.17 -4.87 116.55 119.29 2d2w n ASP 80 Ca 0.02 1.00 -0.20 0.00 0.52 0.00 0.00 54.79 56.13 2d2w n ASP 80 Cb 0.58 -1.58 -0.15 0.00 -0.72 0.00 0.00 41.12 39.26 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 1.54 0.38 -0.01 -0.67 0.13 -1.96 -1.58 132.00 129.84 2d2w h PRO 81 Ca -0.51 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 2d2w h PRO 81 Cb 1.30 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.67 2d2w h PRO 81 CO 0.57 1.30 -0.22 0.00 -0.23 0.00 0.00 178.00 179.43 2d2w n ALA 82 N -2.64 2.99 0.18 -0.56 0.00 -1.26 -3.75 120.51 115.47 2d2w n ALA 82 Ca -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 52.96 2d2w n ALA 82 Cb 1.06 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.71 1.11 -0.08 0.00 7.64 -1.24 -4.64 113.62 115.69 2d2w n SER 83 Ca 0.13 -0.47 -0.09 0.00 1.01 0.00 0.00 58.87 59.45 2d2w n SER 83 Cb 0.33 1.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.57 2d2w n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2d2w h GLU 84 N 0.00 0.34 0.00 1.43 -0.00 -1.37 -0.17 114.58 114.81 2d2w h GLU 84 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2d2w h GLU 84 Cb 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 2d2w h GLU 84 CO 0.00 0.23 0.07 0.00 -0.00 0.00 0.00 179.01 179.31 2d2w h ALA 85 N 1.12 1.06 0.00 1.06 0.00 -1.82 -1.48 119.26 119.20 2d2w h ALA 85 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2d2w h ALA 85 Cb -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2d2w h ALA 85 CO -0.05 -0.06 -0.91 1.17 0.00 0.00 0.00 179.25 179.40 2d2w n LYS 86 N -2.56 0.50 -0.09 0.00 4.81 -0.21 -3.96 118.16 116.65 2d2w n LYS 86 Ca -0.02 0.47 -0.06 0.00 -0.87 0.00 0.00 58.31 57.83 2d2w n LYS 86 Cb 0.12 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.52 2d2w n LYS 86 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 2d2w h LEU 87 N -1.00 -0.41 -1.99 3.14 -0.00 -0.97 0.29 115.31 114.37 2d2w h LEU 87 Ca -0.13 0.11 0.20 0.00 -0.00 0.00 0.00 57.88 58.06 2d2w h LEU 87 Cb 0.85 0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 41.73 2d2w h LEU 87 CO -0.08 -0.15 0.54 -0.37 -0.00 0.00 0.00 178.44 178.38 2d2w h VAL 88 N -0.05 0.56 -0.98 0.15 -1.51 -1.49 -0.43 116.25 112.50 2d2w h VAL 88 Ca 0.16 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.79 2d2w h VAL 88 Cb 0.30 0.61 -0.09 0.00 -2.13 0.00 0.00 31.29 29.98 2d2w h VAL 88 CO -0.37 0.00 0.62 -0.08 -1.23 0.00 0.00 177.57 176.51 2d2w h GLU 89 N 0.00 0.82 0.00 5.19 4.81 -1.05 0.42 114.58 124.76 2d2w h GLU 89 Ca 0.33 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2d2w h GLU 89 Cb 1.41 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2d2w h GLU 89 CO -0.00 0.54 -0.55 1.96 -0.73 0.00 0.00 179.01 180.23 2d2w h GLN 90 N 0.84 0.00 -0.01 1.92 7.50 -1.20 -3.30 115.11 120.87 2d2w h GLN 90 Ca 0.52 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.61 2d2w h GLN 90 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.22 2d2w h GLN 90 CO -0.29 0.00 -0.28 0.00 -1.50 0.00 0.00 178.83 176.76 2d2w h ALA 91 N 2.09 1.52 0.00 3.87 0.00 0.13 -2.01 119.26 124.86 2d2w h ALA 91 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2d2w h ALA 91 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2d2w h ALA 91 CO 0.00 0.36 -0.37 0.74 0.00 0.00 0.00 179.25 179.98 2d2w h PHE 92 N 0.02 0.00 -3.36 0.00 0.04 -1.46 -3.45 116.94 108.74 2d2w h PHE 92 Ca 0.00 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.12 2d2w h PHE 92 Cb 0.50 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.47 2d2w h PHE 92 CO 0.00 0.00 -0.65 0.50 -0.60 0.00 0.00 178.31 177.57 2d2w s ARG 93 N -3.16 3.37 0.53 1.51 3.52 -0.76 -5.10 118.95 118.86 2d2w s ARG 93 Ca 0.07 -0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 55.03 2d2w s ARG 93 Cb 0.12 -2.86 -0.07 0.00 -1.56 0.00 0.00 34.95 30.58 2d2w s ARG 93 CO 0.68 0.45 1.02 0.15 -0.81 0.00 0.00 175.30 176.78 2d2w s LYS 94 N -0.19 3.70 -0.07 5.12 1.02 -1.26 -4.85 119.74 123.21 2d2w s LYS 94 Ca 0.04 1.15 0.02 0.00 0.02 0.00 0.00 55.97 57.20 2d2w s LYS 94 Cb -0.13 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.10 2d2w s LYS 94 CO 0.02 -0.49 -0.14 -0.98 -0.92 0.00 0.00 175.35 172.84 2d2w s ARG 95 N -3.82 1.89 -0.18 1.68 1.70 -1.26 -5.00 118.95 113.96 2d2w s ARG 95 Ca 0.63 -0.48 0.11 0.00 -0.47 0.00 0.00 55.73 55.52 2d2w s ARG 95 Cb -0.13 -1.53 0.29 0.00 -0.57 0.00 0.00 34.95 33.00 2d2w s ARG 95 CO 0.29 0.05 1.27 0.54 -1.08 0.00 0.00 175.30 176.37 2d2w n ARG 96 N 3.78 0.82 -3.08 3.89 1.74 -1.26 -4.94 116.66 117.62 2d2w n ARG 96 Ca -0.22 -1.53 -0.45 0.00 -0.77 0.00 0.00 57.85 54.88 2d2w n ARG 96 Cb 0.52 0.14 -0.01 0.00 -1.02 0.00 0.00 32.46 32.08 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 -0.45 3.83 0.00 5.56 -1.52 -1.26 -4.63 119.66 121.19 2d2w s GLN 97 Ca 0.11 -2.35 0.00 0.00 -1.95 0.00 0.00 55.36 51.17 2d2w s GLN 97 Cb 0.28 -4.80 0.00 0.00 -0.22 0.00 0.00 33.01 28.26 2d2w s GLN 97 CO -0.08 -1.59 0.00 0.54 -0.25 0.00 0.00 175.29 173.91 2d2w n ARG 98 N 5.18 0.00 -0.26 2.91 5.12 -1.26 -5.18 116.66 123.18 2d2w n ARG 98 Ca 0.25 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2d2w n ARG 98 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 2d2w n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d2w n GLY 99 N 0.19 2.57 0.00 -0.13 0.00 -1.26 -4.99 105.19 101.56 2d2w n GLY 99 Ca 0.00 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.05 1.14 1.61 3.14 -1.26 -5.15 118.33 117.86 2d2w n VAL 100 Ca 0.00 0.01 0.13 0.00 -2.96 0.00 0.00 64.34 61.52 2d2w n VAL 100 Cb 0.00 -0.54 0.22 0.00 -1.06 0.00 0.00 33.84 32.46 2d2w n VAL 100 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17