#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1y s LYS 2 N 0.00 0.29 -0.21 -1.58 2.20 -1.26 -4.55 119.74 114.62 1x1y s LYS 2 Ca 0.00 0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 56.20 1x1y s LYS 2 Cb 0.00 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 1x1y s LYS 2 CO 0.00 -0.11 0.22 0.00 -0.36 0.00 0.00 175.35 175.10 1x1y s ALA 3 N 2.47 3.62 -0.15 3.13 0.00 -0.43 -4.98 121.76 125.41 1x1y s ALA 3 Ca -0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1x1y s ALA 3 Cb -0.06 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1x1y s ALA 3 CO -0.17 -0.06 0.01 0.08 0.00 0.00 0.00 175.76 175.62 1x1y s VAL 4 N 0.80 4.36 -0.51 0.00 1.01 -1.26 -0.35 120.40 124.45 1x1y s VAL 4 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1x1y s VAL 4 Cb -0.13 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.46 1x1y s VAL 4 CO 0.03 0.50 0.31 -0.63 0.00 0.00 0.00 175.10 175.31 1x1y s ILE 5 N 0.13 3.37 -0.92 2.22 -1.09 0.13 -4.97 121.20 120.07 1x1y s ILE 5 Ca 0.02 -2.59 -0.25 0.00 -2.23 0.00 0.00 60.65 55.60 1x1y s ILE 5 Cb -0.13 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1x1y s ILE 5 CO 0.02 -0.78 2.08 0.20 -1.23 0.00 0.00 174.94 175.22 1x1y s ASN 6 N 1.09 4.69 0.55 3.58 -0.87 -1.26 -1.45 114.94 121.26 1x1y s ASN 6 Ca 0.13 -0.62 0.29 0.00 -1.57 0.00 0.00 52.86 51.08 1x1y s ASN 6 Cb -0.22 -2.56 1.46 0.00 -0.02 0.00 0.00 41.25 39.91 1x1y s ASN 6 CO -0.04 -3.21 1.93 1.23 -2.57 0.00 0.00 177.10 174.44 1x1y h GLY 7 N 19.38 0.00 2.00 0.66 0.00 -0.65 0.25 103.07 124.71 1x1y h GLY 7 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1x1y h GLY 7 CO 1.15 0.00 0.00 -2.09 0.00 0.00 0.00 176.54 175.60 1x1y h GLU 8 N 0.00 0.00 -0.05 4.80 4.81 -1.73 -3.08 114.58 119.33 1x1y h GLU 8 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1x1y h GLU 8 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1x1y h GLU 8 CO -0.00 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 1x1y n GLN 9 N -2.86 2.19 -2.54 1.92 1.13 0.85 -4.91 117.38 113.16 1x1y n GLN 9 Ca 0.03 -1.89 -0.43 0.00 -1.94 0.00 0.00 57.00 52.77 1x1y n GLN 9 Cb 0.38 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 1x1y n GLN 9 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1x1y s ILE 10 N -1.87 4.12 0.12 5.09 -1.09 -1.12 -4.89 121.20 121.56 1x1y s ILE 10 Ca 0.27 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1x1y s ILE 10 Cb 0.19 -4.53 -0.21 0.00 -1.58 0.00 0.00 42.46 36.33 1x1y s ILE 10 CO 0.29 -0.99 1.27 0.03 -1.23 0.00 0.00 174.94 174.31 1x1y h ARG 11 N 9.60 0.21 -3.09 2.79 3.08 -1.90 -3.43 114.38 121.63 1x1y h ARG 11 Ca -0.24 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1x1y h ARG 11 Cb 1.07 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1x1y h ARG 11 CO 1.13 1.07 0.23 -1.54 -1.07 0.00 0.00 179.97 179.79 1x1y s SER 12 N -6.99 0.04 0.15 7.04 1.04 -1.26 -4.76 113.70 108.96 1x1y s SER 12 Ca -0.03 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.17 1x1y s SER 12 Cb 0.09 0.82 0.02 0.00 0.10 0.00 0.00 66.02 67.05 1x1y s SER 12 CO 0.85 -1.62 1.63 -0.29 0.98 0.00 0.00 173.24 174.79 1x1y h ILE 13 N 2.01 1.25 -0.83 -1.02 6.09 -1.90 -0.99 117.51 122.13 1x1y h ILE 13 Ca -0.30 -0.96 0.01 0.00 -1.37 0.00 0.00 64.86 62.23 1x1y h ILE 13 Cb 1.25 0.91 -0.04 0.00 0.47 0.00 0.00 36.82 39.41 1x1y h ILE 13 CO 0.38 0.34 0.54 0.28 -3.07 0.00 0.00 178.15 176.62 1x1y h SER 14 N 0.71 0.96 -0.72 2.19 0.02 -1.96 -0.34 113.55 114.41 1x1y h SER 14 Ca 0.15 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1x1y h SER 14 Cb 0.42 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1x1y h SER 14 CO 0.01 0.71 0.28 -0.78 -1.14 0.00 0.00 176.83 175.91 1x1y h ASP 15 N 1.13 1.01 -0.54 3.07 -0.00 -1.83 -1.28 116.42 117.98 1x1y h ASP 15 Ca 0.30 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.03 57.14 1x1y h ASP 15 Cb -0.11 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 38.93 1x1y h ASP 15 CO -0.06 0.90 0.18 0.25 -0.00 0.00 0.00 179.24 180.51 1x1y h LEU 16 N 1.07 0.77 -0.48 2.28 5.85 0.24 -1.07 115.31 123.97 1x1y h LEU 16 Ca 0.25 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1x1y h LEU 16 Cb 0.22 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1x1y h LEU 16 CO -0.02 0.77 -0.23 0.45 -0.34 0.00 0.00 178.44 179.07 1x1y h HIS 17 N 0.74 1.16 -0.75 1.25 3.86 -0.97 -0.37 115.15 120.07 1x1y h HIS 17 Ca 0.17 -0.28 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1x1y h HIS 17 Cb 0.26 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 1x1y h HIS 17 CO 0.01 1.12 0.25 1.96 0.86 0.00 0.00 177.93 182.13 1x1y h GLN 18 N 0.86 1.15 -0.43 2.45 4.20 -1.09 0.14 115.11 122.39 1x1y h GLN 18 Ca 0.11 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1x1y h GLN 18 Cb 0.81 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1x1y h GLN 18 CO 0.07 0.96 0.10 1.15 -0.67 0.00 0.00 178.83 180.44 1x1y h THR 19 N 1.11 1.23 -0.89 -0.54 2.02 -0.98 -2.48 112.91 112.38 1x1y h THR 19 Ca 0.24 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1x1y h THR 19 Cb 0.28 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1x1y h THR 19 CO -0.01 0.28 0.50 -0.07 0.37 0.00 0.00 175.52 176.59 1x1y h LEU 20 N 0.56 1.11 -0.12 2.58 3.38 -0.61 0.46 115.31 122.67 1x1y h LEU 20 Ca 0.13 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1x1y h LEU 20 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1x1y h LEU 20 CO 0.00 0.89 -0.08 0.50 0.09 0.00 0.00 178.44 179.84 1x1y h LYS 21 N 1.25 -0.08 -0.03 1.13 3.64 -0.37 0.00 116.57 122.10 1x1y h LYS 21 Ca 0.32 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 1x1y h LYS 21 Cb 0.02 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1x1y h LYS 21 CO -0.05 -0.06 -0.36 0.87 -2.27 0.00 0.00 179.45 177.58 1x1y h LYS 22 N -0.09 0.31 -0.35 1.90 1.79 -1.24 -0.73 116.57 118.16 1x1y h LYS 22 Ca 0.08 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1x1y h LYS 22 Cb 0.20 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1x1y h LYS 22 CO -0.18 0.96 0.15 0.93 -1.08 0.00 0.00 179.45 180.23 1x1y h GLU 23 N -0.24 0.49 -0.25 3.15 4.39 -0.88 -3.04 114.58 118.19 1x1y h GLU 23 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1x1y h GLU 23 Cb 1.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1x1y h GLU 23 CO 0.07 0.40 0.00 1.28 -1.16 0.00 0.00 179.01 179.60 1x1y n LEU 24 N -4.41 2.74 -3.70 1.33 4.77 -0.02 -4.83 117.00 112.88 1x1y n LEU 24 Ca 0.02 -1.55 -0.23 0.00 -0.03 0.00 0.00 56.01 54.23 1x1y n LEU 24 Cb 0.13 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1x1y n LEU 24 CO 0.36 0.62 -0.08 0.00 -1.33 0.00 0.00 177.39 176.96 1x1y n ALA 25 N 0.80 -2.11 -1.61 -1.18 0.00 -0.39 -4.87 120.51 111.17 1x1y n ALA 25 Ca 0.12 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1x1y n ALA 25 Cb 0.42 -2.37 0.10 0.00 0.00 0.00 0.00 19.45 17.60 1x1y n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1y s LEU 26 N -6.61 2.40 0.65 0.00 1.43 -0.58 -4.88 118.68 111.09 1x1y s LEU 26 Ca 0.08 1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 54.12 1x1y s LEU 26 Cb -0.02 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1x1y s LEU 26 CO 0.82 -2.13 1.13 -0.81 0.23 0.00 0.00 176.35 175.60 1x1y n PRO 27 N -3.51 0.92 0.29 1.29 -0.04 -1.26 -4.86 135.00 127.82 1x1y n PRO 27 Ca 0.07 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1x1y n PRO 27 Cb 0.58 -2.36 0.85 0.00 -0.04 0.00 0.00 33.50 32.52 1x1y n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1x1y h GLU 28 N 0.35 0.00 -0.15 0.54 4.57 -1.98 0.20 114.58 118.11 1x1y h GLU 28 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1x1y h GLU 28 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1x1y h GLU 28 CO 0.51 0.04 0.00 2.48 -1.18 0.00 0.00 179.01 180.87 1x1y n TYR 29 N -3.77 0.19 -1.30 0.92 0.18 -1.26 -4.97 117.16 107.14 1x1y n TYR 29 Ca -0.03 -0.09 -0.51 0.00 1.88 0.00 0.00 57.90 59.15 1x1y n TYR 29 Cb 0.14 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.02 1x1y n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1x1y n TYR 30 N 0.24 0.99 1.10 -3.48 9.36 0.06 -4.82 117.16 120.62 1x1y n TYR 30 Ca 0.16 0.88 0.11 0.00 3.32 0.00 0.00 57.90 62.38 1x1y n TYR 30 Cb 0.31 -1.72 0.58 0.00 -0.63 0.00 0.00 39.34 37.88 1x1y n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x1y n GLY 31 N 2.27 -1.03 3.89 2.98 0.00 -1.26 -4.92 105.19 107.12 1x1y n GLY 31 Ca 0.21 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1x1y n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x1y n GLU 32 N -1.27 -4.08 -4.06 1.61 1.02 -1.26 -4.96 120.64 107.63 1x1y n GLU 32 Ca 0.11 0.49 -0.10 0.00 -0.02 0.00 0.00 57.16 57.64 1x1y n GLU 32 Cb 0.18 -4.90 -0.07 0.00 -0.02 0.00 0.00 31.44 26.63 1x1y n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1y s ASN 33 N -4.15 0.03 0.28 1.62 2.20 -1.26 -4.97 114.94 108.69 1x1y s ASN 33 Ca 0.15 -1.10 -0.02 0.00 -0.94 0.00 0.00 52.86 50.95 1x1y s ASN 33 Cb -0.08 0.53 0.40 0.00 -2.00 0.00 0.00 41.25 40.10 1x1y s ASN 33 CO 0.86 -1.06 1.84 -0.07 -2.94 0.00 0.00 177.10 175.73 1x1y h LEU 34 N 2.36 0.80 -0.48 3.54 3.38 -1.97 -1.07 115.31 121.87 1x1y h LEU 34 Ca -0.29 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1x1y h LEU 34 Cb 1.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1x1y h LEU 34 CO 0.41 0.76 -0.02 0.00 0.09 0.00 0.00 178.44 179.68 1x1y h ALA 35 N 1.35 0.65 -0.54 1.53 0.00 -1.99 -1.19 119.26 119.08 1x1y h ALA 35 Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1x1y h ALA 35 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1x1y h ALA 35 CO -0.01 0.48 0.09 0.00 0.00 0.00 0.00 179.25 179.81 1x1y h ALA 36 N 0.92 1.16 -0.17 0.00 0.00 -1.86 -0.69 119.26 118.61 1x1y h ALA 36 Ca 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1x1y h ALA 36 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x1y h ALA 36 CO 0.03 0.56 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 1x1y h LEU 37 N 0.81 0.32 -0.33 0.00 5.85 -0.99 -0.52 115.31 120.44 1x1y h LEU 37 Ca 0.17 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1x1y h LEU 37 Cb 0.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1x1y h LEU 37 CO 0.01 0.59 0.17 -0.25 -0.34 0.00 0.00 178.44 178.61 1x1y h TRP 38 N 0.05 0.31 -0.29 1.25 2.91 -1.00 0.96 115.95 120.14 1x1y h TRP 38 Ca 0.05 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.11 1x1y h TRP 38 Cb 0.44 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 1x1y h TRP 38 CO 0.04 0.17 0.09 0.22 -1.03 0.00 0.00 178.44 177.94 1x1y h ASP 39 N 0.35 0.09 -0.59 2.65 -0.00 -1.00 -1.20 116.42 116.72 1x1y h ASP 39 Ca 0.14 0.03 -0.07 0.00 -0.00 0.00 0.00 57.03 57.13 1x1y h ASP 39 Cb 0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.37 1x1y h ASP 39 CO -0.09 0.09 0.10 0.00 -0.00 0.00 0.00 179.24 179.34 1x1y h ALA 40 N 1.19 0.78 0.00 -0.78 0.00 -0.72 0.29 119.26 120.02 1x1y h ALA 40 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1x1y h ALA 40 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1x1y h ALA 40 CO -0.14 0.52 -0.13 -0.07 0.00 0.00 0.00 179.25 179.43 1x1y h LEU 41 N 0.87 0.00 -0.45 0.00 3.38 -0.58 -0.68 115.31 117.85 1x1y h LEU 41 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1x1y h LEU 41 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1x1y h LEU 41 CO 0.01 0.13 -0.32 0.35 0.09 0.00 0.00 178.44 178.71 1x1y n THR 42 N -3.28 0.00 -2.53 0.22 -2.24 -0.47 -4.73 114.28 101.25 1x1y n THR 42 Ca 0.00 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1x1y n THR 42 Cb 0.39 1.07 0.04 0.00 -2.10 0.00 0.00 70.33 69.73 1x1y n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1y n GLY 43 N 1.04 1.39 2.17 3.38 0.00 0.10 -5.00 105.19 108.27 1x1y n GLY 43 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1x1y n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1y n TRP 44 N -0.47 -4.08 -1.73 1.61 -0.00 -0.70 -4.83 117.44 107.23 1x1y n TRP 44 Ca -0.08 1.18 -0.36 0.00 -0.00 0.00 0.00 57.50 58.24 1x1y n TRP 44 Cb 0.88 3.04 0.07 0.00 -0.00 0.00 0.00 31.31 35.29 1x1y n TRP 44 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1x1y s VAL 45 N -2.00 2.20 0.32 5.87 -7.23 -0.34 -5.01 120.40 114.20 1x1y s VAL 45 Ca 0.00 0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 60.11 1x1y s VAL 45 Cb 0.00 -2.97 -0.09 0.00 0.56 0.00 0.00 36.38 33.88 1x1y s VAL 45 CO 0.00 -0.03 0.77 -0.70 -0.31 0.00 0.00 175.10 174.83 1x1y s GLU 46 N -3.47 4.11 0.22 4.82 2.12 -1.26 -4.98 118.70 120.25 1x1y s GLU 46 Ca 0.80 0.80 0.10 0.00 0.36 0.00 0.00 54.97 57.02 1x1y s GLU 46 Cb -0.35 -2.51 -0.05 0.00 0.26 0.00 0.00 34.13 31.49 1x1y s GLU 46 CO 0.39 0.19 -0.18 0.71 -0.54 0.00 0.00 175.26 175.83 1x1y s TYR 47 N -1.90 1.96 0.52 5.30 2.02 -1.26 -4.32 117.35 119.68 1x1y s TYR 47 Ca 0.53 -0.46 -0.21 0.00 -0.37 0.00 0.00 57.07 56.56 1x1y s TYR 47 Cb -0.12 -0.91 -0.06 0.00 -0.40 0.00 0.00 41.96 40.48 1x1y s TYR 47 CO 0.18 0.47 1.22 -1.25 -1.57 0.00 0.00 175.55 174.60 1x1y s PRO 48 N -3.32 3.38 -0.08 -1.71 0.04 -1.26 -5.12 135.00 126.94 1x1y s PRO 48 Ca 0.23 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.19 1x1y s PRO 48 Cb -0.04 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1x1y s PRO 48 CO 0.10 -0.89 -0.22 -1.17 0.04 0.00 0.00 177.00 174.86 1x1y s LEU 49 N -3.47 2.00 -0.13 -3.56 2.96 -0.20 -5.04 118.68 111.24 1x1y s LEU 49 Ca 0.70 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1x1y s LEU 49 Cb -0.31 -1.26 0.02 0.00 0.50 0.00 0.00 46.19 45.13 1x1y s LEU 49 CO 0.36 0.17 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.72 1x1y s VAL 50 N 0.19 1.54 -0.20 1.68 1.01 -1.26 -0.41 120.40 122.95 1x1y s VAL 50 Ca -0.12 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1x1y s VAL 50 Cb -0.16 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1x1y s VAL 50 CO 0.06 0.45 -0.15 -0.22 0.00 0.00 0.00 175.10 175.24 1x1y s LEU 51 N 1.19 2.52 -0.22 3.92 2.96 0.74 -1.32 118.68 128.48 1x1y s LEU 51 Ca -0.02 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.13 1x1y s LEU 51 Cb -0.14 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1x1y s LEU 51 CO -0.05 -0.04 0.03 -0.70 -1.32 0.00 0.00 176.35 174.27 1x1y s GLU 52 N 1.31 3.64 -0.42 1.98 2.12 0.52 -0.35 118.70 127.51 1x1y s GLU 52 Ca 0.03 -0.50 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1x1y s GLU 52 Cb -0.14 -3.17 0.11 0.00 0.26 0.00 0.00 34.13 31.19 1x1y s GLU 52 CO -0.09 -0.05 0.24 -0.46 -0.54 0.00 0.00 175.26 174.35 1x1y s TRP 53 N 1.19 3.55 0.27 5.30 -0.11 0.26 0.20 118.94 129.60 1x1y s TRP 53 Ca 0.04 -2.31 -0.29 0.00 1.22 0.00 0.00 56.10 54.76 1x1y s TRP 53 Cb -0.14 -3.29 -0.09 0.00 -1.50 0.00 0.00 33.47 28.45 1x1y s TRP 53 CO 0.02 -0.98 0.96 1.03 -4.62 0.00 0.00 176.95 173.36 1x1y s ARG 54 N 1.17 4.74 -1.33 5.86 0.52 -0.53 -2.85 118.95 126.53 1x1y s ARG 54 Ca 0.08 1.48 -0.09 0.00 -0.52 0.00 0.00 55.73 56.67 1x1y s ARG 54 Cb -0.23 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1x1y s ARG 54 CO -0.03 0.40 0.50 1.04 0.02 0.00 0.00 175.30 177.23 1x1y n GLN 55 N 1.15 -2.24 -0.29 3.54 1.13 -1.25 -0.04 117.38 119.39 1x1y n GLN 55 Ca -0.01 0.36 0.12 0.00 -1.94 0.00 0.00 57.00 55.53 1x1y n GLN 55 Cb 0.48 -4.13 0.36 0.00 0.11 0.00 0.00 30.24 27.06 1x1y n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1x1y h PHE 56 N -1.93 0.87 -0.22 1.08 3.57 -1.92 -1.99 116.94 116.40 1x1y h PHE 56 Ca -0.65 0.03 0.06 0.00 3.53 0.00 0.00 57.97 60.93 1x1y h PHE 56 Cb 1.38 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1x1y h PHE 56 CO 0.44 0.30 -0.17 0.93 -2.23 0.00 0.00 178.31 177.58 1x1y h GLU 57 N 0.72 -0.17 0.00 1.11 3.07 -1.94 0.06 114.58 117.43 1x1y h GLU 57 Ca 0.47 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.29 1x1y h GLU 57 Cb 0.75 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1x1y h GLU 57 CO -0.23 -0.11 -0.26 1.96 -1.40 0.00 0.00 179.01 178.97 1x1y h GLN 58 N -0.17 0.00 -0.00 2.33 4.20 -1.68 -3.03 115.11 116.76 1x1y h GLN 58 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1x1y h GLN 58 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1x1y h GLN 58 CO -0.32 0.26 0.00 1.03 -0.67 0.00 0.00 178.83 179.13 1x1y h SER 59 N 0.00 0.00 -0.10 1.46 0.87 -0.52 -2.52 113.55 112.74 1x1y h SER 59 Ca -0.00 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1x1y h SER 59 Cb 0.55 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1x1y h SER 59 CO 0.03 0.16 0.08 0.07 -0.53 0.00 0.00 176.83 176.64 1x1y h LYS 60 N -0.15 0.00 0.00 2.24 2.10 -1.11 -2.69 116.57 116.96 1x1y h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1x1y h LYS 60 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1x1y h LYS 60 CO -0.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.49 1x1y n GLN 61 N -4.32 0.00 0.00 0.07 3.00 -0.96 0.21 117.38 115.38 1x1y n GLN 61 Ca -0.01 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1x1y n GLN 61 Cb 0.19 -1.39 0.02 0.00 0.00 0.00 0.00 30.24 29.06 1x1y n GLN 61 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x1y n LEU 62 N -1.72 0.00 0.00 1.08 7.99 -1.16 -0.84 117.00 122.35 1x1y n LEU 62 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 1x1y n LEU 62 Cb 0.00 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1x1y n LEU 62 CO 0.00 -0.12 0.38 0.35 -1.51 0.00 0.00 177.39 176.50 1x1y n THR 63 N -1.12 0.58 0.00 -5.08 -2.24 -1.02 -4.19 114.28 101.22 1x1y n THR 63 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1x1y n THR 63 Cb 0.00 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1x1y n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1x1y n GLU 64 N -0.29 0.00 0.00 -0.78 2.13 0.13 -0.96 120.64 120.87 1x1y n GLU 64 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1x1y n GLU 64 Cb 0.22 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.93 1x1y n GLU 64 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1x1y n ASN 65 N 4.68 0.00 -0.09 4.31 6.94 -1.24 -4.42 115.26 125.44 1x1y n ASN 65 Ca 0.00 -1.00 -0.00 0.00 -0.02 0.00 0.00 54.58 53.56 1x1y n ASN 65 Cb 0.00 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 37.69 1x1y n ASN 65 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1x1y h GLY 66 N 0.00 0.78 0.55 4.83 0.00 -1.32 -3.04 103.07 104.87 1x1y h GLY 66 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 46.99 1x1y h GLY 66 CO 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 176.54 176.91 1x1y h ALA 67 N 1.49 0.25 -0.79 3.60 0.00 -1.85 -1.88 119.26 120.07 1x1y h ALA 67 Ca 0.17 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1x1y h ALA 67 Cb 0.17 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1x1y h ALA 67 CO -0.01 -0.42 0.52 1.49 0.00 0.00 0.00 179.25 180.83 1x1y h GLU 68 N 0.08 0.99 -0.12 0.00 4.57 -1.92 -0.53 114.58 117.65 1x1y h GLU 68 Ca 0.14 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.18 1x1y h GLU 68 Cb 0.18 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1x1y h GLU 68 CO -0.23 0.66 -0.28 0.77 -1.18 0.00 0.00 179.01 178.74 1x1y h SER 69 N 1.02 0.22 -0.07 1.04 0.02 -1.37 0.02 113.55 114.42 1x1y h SER 69 Ca 0.31 -0.07 -0.24 0.00 -0.84 0.00 0.00 61.79 60.95 1x1y h SER 69 Cb -0.03 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 62.46 1x1y h SER 69 CO -0.08 0.50 -0.88 0.58 -1.14 0.00 0.00 176.83 175.81 1x1y h VAL 70 N 0.20 1.29 -0.70 2.27 2.07 -0.48 -3.01 116.25 117.89 1x1y h VAL 70 Ca 0.03 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 1x1y h VAL 70 Cb 0.60 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1x1y h VAL 70 CO 0.04 0.65 0.27 0.25 0.02 0.00 0.00 177.57 178.80 1x1y h LEU 71 N 0.42 0.95 -1.14 2.57 5.85 -0.86 -2.60 115.31 120.51 1x1y h LEU 71 Ca -0.09 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1x1y h LEU 71 Cb 1.53 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1x1y h LEU 71 CO 0.18 0.86 0.59 1.56 -0.34 0.00 0.00 178.44 181.28 1x1y h GLN 72 N 1.01 1.07 -0.66 1.25 4.20 -0.96 -1.47 115.11 119.56 1x1y h GLN 72 Ca 0.23 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1x1y h GLN 72 Cb 0.21 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1x1y h GLN 72 CO -0.02 0.71 0.25 0.28 -0.67 0.00 0.00 178.83 179.39 1x1y h VAL 73 N 1.11 1.24 -0.51 -0.54 2.07 -1.33 0.95 116.25 119.25 1x1y h VAL 73 Ca 0.36 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1x1y h VAL 73 Cb 0.04 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1x1y h VAL 73 CO -0.11 0.30 0.22 -0.26 0.02 0.00 0.00 177.57 177.74 1x1y h PHE 74 N 0.94 0.75 -0.49 1.57 0.04 -1.27 0.11 116.94 118.60 1x1y h PHE 74 Ca 0.22 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.84 1x1y h PHE 74 Cb 0.22 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1x1y h PHE 74 CO 0.01 0.61 -0.09 0.00 -0.60 0.00 0.00 178.31 178.24 1x1y h ARG 75 N 0.68 0.88 -0.27 1.51 3.08 -0.97 -0.87 114.38 118.41 1x1y h ARG 75 Ca 0.17 -0.30 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1x1y h ARG 75 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1x1y h ARG 75 CO -0.02 0.94 -0.42 0.93 -1.07 0.00 0.00 179.97 180.33 1x1y h GLU 76 N 0.80 0.67 -0.74 0.04 5.08 -0.57 0.89 114.58 120.73 1x1y h GLU 76 Ca 0.13 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1x1y h GLU 76 Cb 0.61 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1x1y h GLU 76 CO 0.04 0.96 0.29 0.00 -1.00 0.00 0.00 179.01 179.30 1x1y h ALA 77 N 0.99 0.97 -0.58 3.43 0.00 -0.69 -1.93 119.26 121.45 1x1y h ALA 77 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1x1y h ALA 77 Cb 0.95 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1x1y h ALA 77 CO 0.09 0.60 -0.05 -0.22 0.00 0.00 0.00 179.25 179.67 1x1y h LYS 78 N 1.08 1.05 -0.00 0.00 3.64 -0.88 -2.05 116.57 119.40 1x1y h LYS 78 Ca 0.25 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1x1y h LYS 78 Cb 0.23 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1x1y h LYS 78 CO -0.02 1.06 -0.07 0.00 -2.27 0.00 0.00 179.45 178.15 1x1y h ALA 79 N 0.96 1.87 -0.41 5.00 0.00 -0.30 -2.33 119.26 124.05 1x1y h ALA 79 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x1y h ALA 79 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x1y h ALA 79 CO 0.04 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.78 1x1y n GLU 80 N -4.45 2.54 0.00 0.00 1.02 -0.77 -4.90 120.64 114.08 1x1y n GLU 80 Ca -0.03 -1.72 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 1x1y n GLU 80 Cb 0.16 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1x1y n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x1y n GLY 81 N 0.89 1.64 3.71 0.62 0.00 -0.87 -5.08 105.19 106.10 1x1y n GLY 81 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1x1y n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1y s ALA 82 N -2.13 3.71 -1.25 4.61 0.00 -0.80 -4.87 121.76 121.05 1x1y s ALA 82 Ca 0.00 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1x1y s ALA 82 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1x1y s ALA 82 CO 0.00 -0.80 1.82 0.34 0.00 0.00 0.00 175.76 177.12 1x1y s ASP 83 N 1.38 6.07 -0.10 0.00 -1.08 -1.26 -4.35 116.67 117.32 1x1y s ASP 83 Ca 0.69 -2.10 0.04 0.00 -0.52 0.00 0.00 52.55 50.66 1x1y s ASP 83 Cb -0.41 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.47 1x1y s ASP 83 CO 0.31 -1.98 -0.24 -0.63 0.52 0.00 0.00 175.17 173.15 1x1y s ILE 84 N 7.10 2.05 -0.16 4.11 1.01 -1.26 -1.03 121.20 133.01 1x1y s ILE 84 Ca 0.60 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1x1y s ILE 84 Cb 0.02 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1x1y s ILE 84 CO 0.10 0.56 -0.08 -0.89 0.00 0.00 0.00 174.94 174.63 1x1y s THR 85 N 0.36 3.40 -0.17 2.92 2.01 0.45 -4.94 115.64 119.68 1x1y s THR 85 Ca -0.18 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 1x1y s THR 85 Cb -0.18 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1x1y s THR 85 CO 0.08 0.49 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 1x1y s ILE 86 N 0.66 3.24 -0.28 1.82 1.01 -1.26 -0.18 121.20 126.21 1x1y s ILE 86 Ca -0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1x1y s ILE 86 Cb -0.15 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.93 1x1y s ILE 86 CO 0.02 0.48 -0.00 -0.63 0.00 0.00 0.00 174.94 174.81 1x1y s ILE 87 N 0.84 3.25 -0.53 2.92 1.01 0.53 -4.98 121.20 124.24 1x1y s ILE 87 Ca -0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 1x1y s ILE 87 Cb -0.15 -2.71 0.10 0.00 0.01 0.00 0.00 42.46 39.71 1x1y s ILE 87 CO 0.01 0.09 0.52 -0.76 0.00 0.00 0.00 174.94 174.79 1x1y s LEU 88 N 1.36 5.75 0.00 2.97 1.43 -1.26 -0.58 118.68 128.35 1x1y s LEU 88 Ca -0.00 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1x1y s LEU 88 Cb -0.18 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1x1y s LEU 88 CO -0.01 -0.84 0.45 -1.54 0.23 0.00 0.00 176.35 174.63