#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1w s LYS 1 N 0.00 4.25 -0.07 2.12 2.47 0.76 -4.97 119.74 124.29 1x1w s LYS 1 Ca 0.00 0.42 0.02 0.00 -1.56 0.00 0.00 55.97 54.85 1x1w s LYS 1 Cb 0.00 -3.38 -0.03 0.00 -1.46 0.00 0.00 37.83 32.96 1x1w s LYS 1 CO 0.00 0.29 -0.10 0.21 0.16 0.00 0.00 175.35 175.91 1x1w s LYS 2 N 0.20 2.73 -0.02 4.03 2.47 -1.26 -0.78 119.74 127.10 1x1w s LYS 2 Ca 0.25 -0.62 0.01 0.00 -1.56 0.00 0.00 55.97 54.05 1x1w s LYS 2 Cb -0.15 -2.52 0.02 0.00 -1.46 0.00 0.00 37.83 33.71 1x1w s LYS 2 CO 0.11 0.60 -0.01 0.00 0.16 0.00 0.00 175.35 176.20 1x1w s ALA 3 N -0.64 0.34 -0.02 3.13 0.00 0.29 -4.85 121.76 120.00 1x1w s ALA 3 Ca 0.10 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1x1w s ALA 3 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1x1w s ALA 3 CO 0.01 -0.03 -0.25 0.08 0.00 0.00 0.00 175.76 175.58 1x1w s VAL 4 N 0.76 1.95 -0.16 0.00 1.01 -1.26 -0.46 120.40 122.24 1x1w s VAL 4 Ca -0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1x1w s VAL 4 Cb -0.11 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1x1w s VAL 4 CO -0.01 0.55 -0.05 -0.63 0.00 0.00 0.00 175.10 174.96 1x1w s ILE 5 N -0.52 1.03 -0.58 2.22 1.01 -0.23 -4.93 121.20 119.20 1x1w s ILE 5 Ca 0.08 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1x1w s ILE 5 Cb -0.10 -1.21 0.10 0.00 0.01 0.00 0.00 42.46 41.26 1x1w s ILE 5 CO -0.00 0.14 0.67 0.20 0.00 0.00 0.00 174.94 175.95 1x1w s ASN 6 N 1.67 6.19 0.29 3.58 -0.87 -1.26 -0.26 114.94 124.28 1x1w s ASN 6 Ca 0.01 -1.43 0.03 0.00 -1.57 0.00 0.00 52.86 49.91 1x1w s ASN 6 Cb -0.15 -2.29 0.63 0.00 -0.02 0.00 0.00 41.25 39.42 1x1w s ASN 6 CO -0.08 -1.06 1.82 1.23 -2.57 0.00 0.00 177.10 176.44 1x1w h GLY 7 N 9.82 1.65 2.00 0.66 0.00 -0.49 -1.81 103.07 114.89 1x1w h GLY 7 Ca -0.29 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1x1w h GLY 7 CO 1.08 0.09 0.00 1.05 0.00 0.00 0.00 176.54 178.76 1x1w h GLU 8 N 0.91 0.00 -0.06 4.80 9.09 -1.78 -1.66 114.58 125.89 1x1w h GLU 8 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1x1w h GLU 8 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1x1w h GLU 8 CO -0.29 0.00 0.00 1.04 0.05 0.00 0.00 179.01 179.81 1x1w n GLN 9 N -2.87 2.12 -3.20 1.06 6.02 -0.68 -4.85 117.38 114.98 1x1w n GLN 9 Ca -0.02 -1.64 -0.43 0.00 -0.01 0.00 0.00 57.00 54.90 1x1w n GLN 9 Cb 0.08 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.80 1x1w n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1x1w s ILE 10 N -1.96 4.94 -1.95 5.09 1.01 -0.62 -4.90 121.20 122.81 1x1w s ILE 10 Ca 0.32 -0.03 0.17 0.00 0.00 0.00 0.00 60.65 61.11 1x1w s ILE 10 Cb 0.20 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.65 1x1w s ILE 10 CO 0.31 -0.49 0.99 0.54 0.00 0.00 0.00 174.94 176.29 1x1w n ARG 11 N 5.97 1.48 -3.55 2.79 1.74 -1.26 -4.65 116.66 119.18 1x1w n ARG 11 Ca -0.04 -1.31 -0.12 0.00 -0.77 0.00 0.00 57.85 55.61 1x1w n ARG 11 Cb 0.48 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1x1w n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x1w s SER 12 N -1.59 -0.39 0.45 0.55 1.04 -1.24 -4.78 113.70 107.73 1x1w s SER 12 Ca 0.18 -0.09 0.14 0.00 0.48 0.00 0.00 55.95 56.66 1x1w s SER 12 Cb 0.14 0.52 1.02 0.00 0.10 0.00 0.00 66.02 67.79 1x1w s SER 12 CO 0.28 -0.86 2.02 -0.29 0.98 0.00 0.00 173.24 175.37 1x1w h ILE 13 N 2.36 1.11 -0.40 -1.02 6.09 -1.89 -0.49 117.51 123.27 1x1w h ILE 13 Ca -0.33 -0.50 -0.12 0.00 -1.37 0.00 0.00 64.86 62.53 1x1w h ILE 13 Cb 1.26 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 39.75 1x1w h ILE 13 CO 0.43 0.15 -0.25 0.77 -3.07 0.00 0.00 178.15 176.18 1x1w h SER 14 N 0.06 0.83 -0.55 2.19 4.64 -1.96 -1.65 113.55 117.11 1x1w h SER 14 Ca 0.01 -0.32 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1x1w h SER 14 Cb 0.25 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1x1w h SER 14 CO 0.02 1.04 0.30 0.44 -0.87 0.00 0.00 176.83 177.76 1x1w h ASP 15 N 0.70 0.46 -0.34 4.97 3.45 -1.49 -0.66 116.42 123.51 1x1w h ASP 15 Ca 0.09 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 1x1w h ASP 15 Cb 0.78 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.46 1x1w h ASP 15 CO 0.06 0.32 0.21 0.25 -1.57 0.00 0.00 179.24 178.51 1x1w h LEU 16 N 0.59 0.41 -0.78 1.55 5.85 -1.01 0.33 115.31 122.26 1x1w h LEU 16 Ca 0.24 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1x1w h LEU 16 Cb 0.10 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1x1w h LEU 16 CO -0.14 0.33 -0.33 0.45 -0.34 0.00 0.00 178.44 178.41 1x1w h HIS 17 N 0.45 0.62 -0.02 1.25 3.86 -0.92 -0.89 115.15 119.50 1x1w h HIS 17 Ca 0.12 -0.16 -0.15 0.00 -1.16 0.00 0.00 60.37 59.03 1x1w h HIS 17 Cb -0.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1x1w h HIS 17 CO -0.04 0.81 -0.66 1.96 0.86 0.00 0.00 177.93 180.85 1x1w h GLN 18 N 0.46 0.11 -0.28 2.45 4.20 -0.95 -1.26 115.11 119.83 1x1w h GLN 18 Ca 0.05 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1x1w h GLN 18 Cb 0.80 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1x1w h GLN 18 CO 0.07 0.73 -0.19 1.15 -0.67 0.00 0.00 178.83 179.92 1x1w h THR 19 N 0.07 1.30 -0.58 -0.54 2.02 -0.66 -2.85 112.91 111.68 1x1w h THR 19 Ca -0.01 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.80 1x1w h THR 19 Cb 1.18 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1x1w h THR 19 CO 0.09 0.42 0.13 -0.07 0.37 0.00 0.00 175.52 176.46 1x1w h LEU 20 N 0.36 0.85 -0.74 2.58 3.38 -1.02 -1.23 115.31 119.50 1x1w h LEU 20 Ca 0.06 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1x1w h LEU 20 Cb 0.73 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1x1w h LEU 20 CO 0.05 0.83 0.41 0.50 0.09 0.00 0.00 178.44 180.32 1x1w h LYS 21 N 0.87 0.69 0.05 1.13 3.64 -1.08 -0.33 116.57 121.55 1x1w h LYS 21 Ca 0.19 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1x1w h LYS 21 Cb 0.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1x1w h LYS 21 CO 0.00 0.46 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.39 1x1w h LYS 22 N 0.71 -0.07 0.00 1.90 1.63 -1.24 -0.84 116.57 118.66 1x1w h LYS 22 Ca 0.34 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.11 1x1w h LYS 22 Cb 0.28 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1x1w h LYS 22 CO -0.22 0.54 -0.18 0.93 -3.45 0.00 0.00 179.45 177.07 1x1w h GLU 23 N -0.79 0.00 -0.01 1.90 4.39 -1.16 -2.84 114.58 116.06 1x1w h GLU 23 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x1w h GLU 23 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1x1w h GLU 23 CO 0.01 0.18 -0.42 1.28 -1.16 0.00 0.00 179.01 178.90 1x1w n LEU 24 N -3.94 1.73 -3.37 1.33 4.77 -0.14 -4.52 117.00 112.85 1x1w n LEU 24 Ca -0.02 -0.75 -0.17 0.00 -0.03 0.00 0.00 56.01 55.04 1x1w n LEU 24 Cb 0.27 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1x1w n LEU 24 CO 0.34 0.33 0.13 0.00 -1.33 0.00 0.00 177.39 176.85 1x1w n ALA 25 N -0.17 -1.84 -1.49 -1.18 0.00 -0.76 -4.80 120.51 110.26 1x1w n ALA 25 Ca 0.07 0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 1x1w n ALA 25 Cb 0.38 -2.83 0.08 0.00 0.00 0.00 0.00 19.45 17.08 1x1w n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1w s LEU 26 N -6.36 2.87 0.73 0.00 1.43 -0.39 -4.96 118.68 112.01 1x1w s LEU 26 Ca 0.09 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.57 1x1w s LEU 26 Cb -0.04 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 41.96 1x1w s LEU 26 CO 0.71 -1.80 1.24 -2.16 0.23 0.00 0.00 176.35 174.56 1x1w s PRO 27 N -5.05 2.07 0.58 1.29 0.04 -1.26 -4.88 135.00 127.79 1x1w s PRO 27 Ca 0.60 1.86 0.31 0.00 0.04 0.00 0.00 61.00 63.81 1x1w s PRO 27 Cb -0.15 -1.81 1.77 0.00 0.04 0.00 0.00 34.50 34.35 1x1w s PRO 27 CO 0.55 -1.91 2.20 1.05 0.04 0.00 0.00 177.00 178.93 1x1w h GLU 28 N -0.26 0.00 -0.01 4.56 9.09 -1.98 -0.77 114.58 125.21 1x1w h GLU 28 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1x1w h GLU 28 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1x1w h GLU 28 CO 0.49 0.04 -0.02 2.48 0.05 0.00 0.00 179.01 182.05 1x1w n TYR 29 N -3.65 0.00 -1.15 2.06 0.18 -1.26 -4.95 117.16 108.39 1x1w n TYR 29 Ca -0.02 0.00 -0.48 0.00 1.88 0.00 0.00 57.90 59.28 1x1w n TYR 29 Cb 0.14 -0.02 -0.08 0.00 -0.38 0.00 0.00 39.34 39.00 1x1w n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1x1w n TYR 30 N -0.33 1.13 0.23 -3.48 9.36 -0.30 -4.80 117.16 118.98 1x1w n TYR 30 Ca 0.20 0.74 0.13 0.00 3.32 0.00 0.00 57.90 62.29 1x1w n TYR 30 Cb 0.27 -1.64 0.67 0.00 -0.63 0.00 0.00 39.34 38.01 1x1w n TYR 30 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1x1w h GLY 31 N 4.68 0.00 -5.96 2.98 0.00 -1.90 -3.47 103.07 99.40 1x1w h GLY 31 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.71 1x1w h GLY 31 CO 0.74 0.00 -0.82 1.18 0.00 0.00 0.00 176.54 177.64 1x1w n GLU 32 N -2.41 -4.94 -3.88 4.80 1.02 -1.26 -4.96 120.64 109.01 1x1w n GLU 32 Ca -0.01 0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 57.72 1x1w n GLU 32 Cb 0.08 -5.31 -0.04 0.00 -0.02 0.00 0.00 31.44 26.16 1x1w n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1w s ASN 33 N -4.26 -0.19 0.24 1.62 2.20 -1.26 -5.00 114.94 108.29 1x1w s ASN 33 Ca 0.05 -0.70 -0.05 0.00 -0.94 0.00 0.00 52.86 51.22 1x1w s ASN 33 Cb -0.01 0.63 0.39 0.00 -2.00 0.00 0.00 41.25 40.26 1x1w s ASN 33 CO 0.79 -1.19 1.80 -0.07 -2.94 0.00 0.00 177.10 175.50 1x1w h LEU 34 N 2.15 0.62 -0.60 3.54 3.38 -1.97 -0.25 115.31 122.19 1x1w h LEU 34 Ca -0.24 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1x1w h LEU 34 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1x1w h LEU 34 CO 0.32 0.35 -0.24 0.44 0.09 0.00 0.00 178.44 179.40 1x1w h ASP 35 N 0.74 0.88 -0.61 -0.43 3.32 -1.99 -2.10 116.42 116.23 1x1w h ASP 35 Ca 0.39 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1x1w h ASP 35 Cb 0.37 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1x1w h ASP 35 CO -0.25 1.08 0.02 0.00 -1.72 0.00 0.00 179.24 178.36 1x1w h ALA 36 N 0.98 0.87 -0.49 3.45 0.00 -1.77 -2.49 119.26 119.81 1x1w h ALA 36 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1x1w h ALA 36 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1x1w h ALA 36 CO 0.07 0.67 0.25 1.25 0.00 0.00 0.00 179.25 181.49 1x1w h LEU 37 N 0.98 0.62 -0.54 0.00 5.85 -0.87 -1.08 115.31 120.28 1x1w h LEU 37 Ca 0.18 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1x1w h LEU 37 Cb 0.54 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1x1w h LEU 37 CO 0.03 0.55 0.34 -0.25 -0.34 0.00 0.00 178.44 178.77 1x1w h TRP 38 N 0.64 0.69 -0.59 1.25 2.91 -1.25 -1.22 115.95 118.38 1x1w h TRP 38 Ca 0.17 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.16 1x1w h TRP 38 Cb 0.08 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 1x1w h TRP 38 CO -0.01 0.45 0.22 0.22 -1.03 0.00 0.00 178.44 178.29 1x1w h ASP 39 N 0.72 0.79 -0.23 2.65 3.58 -1.20 -1.62 116.42 121.11 1x1w h ASP 39 Ca 0.19 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.39 1x1w h ASP 39 Cb -0.05 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.79 1x1w h ASP 39 CO -0.04 0.72 -0.42 0.00 -2.88 0.00 0.00 179.24 176.62 1x1w h ALA 40 N 1.39 0.37 0.00 -0.78 0.00 -0.79 0.11 119.26 119.56 1x1w h ALA 40 Ca 0.20 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1x1w h ALA 40 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x1w h ALA 40 CO -0.02 0.48 -0.36 -0.07 0.00 0.00 0.00 179.25 179.29 1x1w h LEU 41 N 0.42 0.00 -0.62 0.00 3.38 -1.05 0.96 115.31 118.39 1x1w h LEU 41 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x1w h LEU 41 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1x1w h LEU 41 CO 0.10 0.36 -0.47 0.35 0.09 0.00 0.00 178.44 178.87 1x1w n THR 42 N -3.95 0.00 -2.71 0.22 -2.24 -0.62 -4.63 114.28 100.35 1x1w n THR 42 Ca -0.02 -0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1x1w n THR 42 Cb 0.42 1.14 0.08 0.00 -2.10 0.00 0.00 70.33 69.87 1x1w n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1w n GLY 43 N 1.24 1.83 1.26 3.38 0.00 0.38 -5.00 105.19 108.27 1x1w n GLY 43 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1x1w n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1w n TRP 44 N -1.00 -3.35 -1.48 1.61 -0.00 -1.02 -4.86 117.44 107.35 1x1w n TRP 44 Ca -0.07 0.78 -0.39 0.00 -0.00 0.00 0.00 57.50 57.82 1x1w n TRP 44 Cb 0.85 2.15 0.03 0.00 -0.00 0.00 0.00 31.31 34.34 1x1w n TRP 44 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1x1w n VAL 45 N -3.03 2.30 -3.50 5.87 0.31 0.30 -4.98 118.33 115.60 1x1w n VAL 45 Ca 0.00 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.49 1x1w n VAL 45 Cb 0.00 -0.72 -0.05 0.00 -0.91 0.00 0.00 33.84 32.16 1x1w n VAL 45 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1x1w s GLU 46 N -2.06 3.81 0.18 5.55 2.12 -1.26 -4.96 118.70 122.09 1x1w s GLU 46 Ca 0.68 0.25 0.08 0.00 0.36 0.00 0.00 54.97 56.35 1x1w s GLU 46 Cb -0.47 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1x1w s GLU 46 CO 0.54 0.50 -0.16 0.71 -0.54 0.00 0.00 175.26 176.31 1x1w s TYR 47 N -1.49 1.74 0.66 5.30 2.02 -1.26 -4.30 117.35 120.02 1x1w s TYR 47 Ca 0.37 -0.52 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 1x1w s TYR 47 Cb -0.14 -0.84 -0.00 0.00 -0.40 0.00 0.00 41.96 40.58 1x1w s TYR 47 CO 0.19 0.34 1.24 -2.14 -1.57 0.00 0.00 175.55 173.61 1x1w s PRO 48 N -3.23 2.53 -0.01 -1.71 0.02 -1.26 -4.19 135.00 127.15 1x1w s PRO 48 Ca 0.19 1.89 0.06 0.00 0.02 0.00 0.00 61.00 63.16 1x1w s PRO 48 Cb -0.03 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 1x1w s PRO 48 CO 0.07 -1.57 -0.19 -1.17 -0.33 0.00 0.00 177.00 173.81 1x1w s LEU 49 N -4.55 2.04 -0.18 -5.54 2.96 0.02 -0.17 118.68 113.26 1x1w s LEU 49 Ca 0.78 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1x1w s LEU 49 Cb -0.33 -0.99 0.04 0.00 0.50 0.00 0.00 46.19 45.42 1x1w s LEU 49 CO 0.40 0.24 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.90 1x1w s VAL 50 N -0.45 1.31 -0.30 1.68 1.01 0.04 -0.72 120.40 122.96 1x1w s VAL 50 Ca 0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1x1w s VAL 50 Cb -0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1x1w s VAL 50 CO -0.01 0.15 0.13 -0.22 0.00 0.00 0.00 175.10 175.15 1x1w s LEU 51 N 1.54 3.97 -0.39 3.92 2.96 0.11 -0.55 118.68 130.25 1x1w s LEU 51 Ca 0.00 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 1x1w s LEU 51 Cb -0.16 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1x1w s LEU 51 CO -0.08 -0.17 0.22 -0.70 -1.32 0.00 0.00 176.35 174.30 1x1w s GLU 52 N 1.59 2.74 -0.49 1.98 2.12 0.39 -0.32 118.70 126.71 1x1w s GLU 52 Ca 0.04 -1.23 -0.12 0.00 0.36 0.00 0.00 54.97 54.02 1x1w s GLU 52 Cb -0.17 -3.74 0.11 0.00 0.26 0.00 0.00 34.13 30.59 1x1w s GLU 52 CO 0.05 -0.80 0.39 -0.46 -0.54 0.00 0.00 175.26 173.90 1x1w s TRP 53 N 1.50 3.34 0.35 5.30 -0.11 0.83 -1.07 118.94 129.08 1x1w s TRP 53 Ca 0.02 -1.54 -0.09 0.00 1.22 0.00 0.00 56.10 55.71 1x1w s TRP 53 Cb -0.21 -3.49 -0.06 0.00 -1.50 0.00 0.00 33.47 28.21 1x1w s TRP 53 CO 0.05 -0.96 0.68 1.03 -4.62 0.00 0.00 176.95 173.13 1x1w s ARG 54 N 1.48 3.75 -1.55 5.86 0.52 0.65 -1.72 118.95 127.93 1x1w s ARG 54 Ca 0.04 0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 55.47 1x1w s ARG 54 Cb -0.27 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 32.79 1x1w s ARG 54 CO 0.02 0.08 0.69 1.04 0.02 0.00 0.00 175.30 177.15 1x1w n GLN 55 N -1.04 -3.73 -0.16 3.54 1.13 -1.14 0.13 117.38 116.11 1x1w n GLN 55 Ca 0.01 0.44 -0.02 0.00 -1.94 0.00 0.00 57.00 55.49 1x1w n GLN 55 Cb 0.54 -4.97 0.07 0.00 0.11 0.00 0.00 30.24 25.99 1x1w n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1x1w h PHE 56 N -1.75 0.14 -0.27 1.08 3.57 -1.83 -2.28 116.94 115.60 1x1w h PHE 56 Ca -0.60 0.03 0.06 0.00 3.53 0.00 0.00 57.97 60.98 1x1w h PHE 56 Cb 1.38 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 1x1w h PHE 56 CO 0.56 -0.02 -0.08 1.49 -2.23 0.00 0.00 178.31 178.03 1x1w h GLU 57 N 0.23 -0.02 -0.85 1.11 4.57 -1.95 0.56 114.58 118.21 1x1w h GLU 57 Ca 0.26 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 1x1w h GLU 57 Cb 0.36 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 1x1w h GLU 57 CO -0.35 -0.02 0.56 1.96 -1.18 0.00 0.00 179.01 179.99 1x1w h GLN 58 N -0.02 0.97 0.00 1.92 4.20 -1.75 -0.33 115.11 120.10 1x1w h GLN 58 Ca 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1x1w h GLN 58 Cb 0.23 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1x1w h GLN 58 CO -0.29 0.64 0.00 0.66 -0.67 0.00 0.00 178.83 179.17 1x1w h SER 59 N 1.00 0.00 0.88 1.46 4.64 -0.93 -2.92 113.55 117.68 1x1w h SER 59 Ca 0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 1x1w h SER 59 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1x1w h SER 59 CO -0.12 0.00 -0.50 0.50 -0.87 0.00 0.00 176.83 175.85 1x1w h LYS 60 N 0.00 0.00 0.13 4.77 3.64 0.86 -3.11 116.57 122.86 1x1w h LYS 60 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1x1w h LYS 60 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1x1w h LYS 60 CO 0.00 0.50 -0.06 1.96 -2.27 0.00 0.00 179.45 179.57 1x1w h GLN 61 N 0.00 -0.17 0.00 1.90 4.20 -1.26 -2.17 115.11 117.60 1x1w h GLN 61 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1x1w h GLN 61 Cb 1.07 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1x1w h GLN 61 CO 0.06 0.28 0.00 1.28 -0.67 0.00 0.00 178.83 179.79 1x1w n LEU 62 N -4.88 0.00 0.00 1.46 4.77 -1.19 -2.21 117.00 114.94 1x1w n LEU 62 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1x1w n LEU 62 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1x1w n LEU 62 CO 0.25 0.00 0.24 0.35 -1.33 0.00 0.00 177.39 176.89 1x1w n THR 63 N -0.69 0.21 -3.76 -5.08 -2.24 -1.18 -3.72 114.28 97.81 1x1w n THR 63 Ca 0.06 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.11 1x1w n THR 63 Cb 0.03 1.16 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1x1w n THR 63 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x1w n GLU 64 N -0.10 -1.00 -0.95 -0.78 0.28 -0.94 -0.98 120.64 116.17 1x1w n GLU 64 Ca 0.00 0.45 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 1x1w n GLU 64 Cb 0.19 -3.57 0.00 0.00 1.43 0.00 0.00 31.44 29.49 1x1w n GLU 64 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1x1w n ASN 65 N -2.47 -3.98 0.09 -1.84 4.13 -0.84 -4.83 115.26 105.52 1x1w n ASN 65 Ca -0.12 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.08 1x1w n ASN 65 Cb 0.59 -2.15 0.08 0.00 -1.54 0.00 0.00 39.78 36.76 1x1w n ASN 65 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1x1w h GLY 66 N 0.00 0.20 1.25 7.41 0.00 -1.31 -2.88 103.07 107.74 1x1w h GLY 66 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.05 1x1w h GLY 66 CO 0.00 0.25 0.50 0.00 0.00 0.00 0.00 176.54 177.30 1x1w h ALA 67 N 1.14 1.45 -0.72 3.60 0.00 -1.82 -1.53 119.26 121.38 1x1w h ALA 67 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1x1w h ALA 67 Cb 1.26 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1x1w h ALA 67 CO 0.11 0.51 0.25 1.49 0.00 0.00 0.00 179.25 181.61 1x1w h GLU 68 N 1.04 1.11 -0.25 0.00 4.57 -1.88 -0.65 114.58 118.51 1x1w h GLU 68 Ca 0.28 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1x1w h GLU 68 Cb -0.11 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1x1w h GLU 68 CO -0.06 0.93 -0.29 0.66 -1.18 0.00 0.00 179.01 179.07 1x1w h SER 69 N 1.05 0.51 -0.13 1.04 4.64 -1.28 -0.72 113.55 118.66 1x1w h SER 69 Ca 0.24 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1x1w h SER 69 Cb 0.27 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1x1w h SER 69 CO -0.01 0.78 0.00 0.58 -0.87 0.00 0.00 176.83 177.31 1x1w h VAL 70 N 0.43 1.25 -0.72 0.95 2.07 -0.88 -2.80 116.25 116.55 1x1w h VAL 70 Ca 0.06 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1x1w h VAL 70 Cb 0.73 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1x1w h VAL 70 CO 0.06 0.23 0.47 0.25 0.02 0.00 0.00 177.57 178.60 1x1w h LEU 71 N -0.03 0.75 -1.05 2.57 5.85 -0.91 -2.04 115.31 120.44 1x1w h LEU 71 Ca 0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1x1w h LEU 71 Cb 0.35 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1x1w h LEU 71 CO 0.01 0.52 0.57 -0.61 -0.34 0.00 0.00 178.44 178.58 1x1w h GLN 72 N 0.87 1.21 -0.57 1.25 5.75 -0.96 -1.36 115.11 121.30 1x1w h GLN 72 Ca 0.28 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 1x1w h GLN 72 Cb 0.05 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 1x1w h GLN 72 CO -0.08 0.83 0.10 0.28 -2.65 0.00 0.00 178.83 177.30 1x1w h VAL 73 N 1.24 1.26 -0.62 2.39 2.07 -1.11 -0.46 116.25 121.01 1x1w h VAL 73 Ca 0.33 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1x1w h VAL 73 Cb -0.09 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1x1w h VAL 73 CO -0.07 0.35 0.28 -0.26 0.02 0.00 0.00 177.57 177.90 1x1w h PHE 74 N 0.84 0.91 -0.55 1.57 0.04 -1.29 0.12 116.94 118.57 1x1w h PHE 74 Ca 0.17 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 1x1w h PHE 74 Cb 0.41 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1x1w h PHE 74 CO 0.03 0.70 -0.03 0.00 -0.60 0.00 0.00 178.31 178.41 1x1w h ARG 75 N 0.85 0.96 -0.13 1.51 3.08 -0.99 -0.52 114.38 119.14 1x1w h ARG 75 Ca 0.21 -0.30 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1x1w h ARG 75 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1x1w h ARG 75 CO -0.02 0.96 -0.59 0.93 -1.07 0.00 0.00 179.97 180.17 1x1w h GLU 76 N 0.88 0.44 -0.36 0.04 5.08 -0.83 0.34 114.58 120.17 1x1w h GLU 76 Ca 0.16 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1x1w h GLU 76 Cb 0.55 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1x1w h GLU 76 CO 0.03 0.91 -0.01 0.00 -1.00 0.00 0.00 179.01 178.94 1x1w h ALA 77 N 1.03 1.31 0.06 3.43 0.00 -0.76 -0.33 119.26 124.00 1x1w h ALA 77 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x1w h ALA 77 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x1w h ALA 77 CO 0.10 0.47 -0.03 -0.22 0.00 0.00 0.00 179.25 179.57 1x1w h LYS 78 N 0.54 -0.07 0.00 0.00 3.11 -0.54 -1.78 116.57 117.82 1x1w h LYS 78 Ca 0.11 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1x1w h LYS 78 Cb 0.36 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1x1w h LYS 78 CO 0.01 0.35 0.00 0.00 -2.81 0.00 0.00 179.45 177.01 1x1w h ALA 79 N 0.37 1.00 -0.00 5.00 0.00 -0.70 -0.14 119.26 124.80 1x1w h ALA 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x1w h ALA 79 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x1w h ALA 79 CO 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.15 1x1w n ALA 80 N -2.08 2.63 0.00 0.00 0.00 -0.16 -4.90 120.51 116.00 1x1w n ALA 80 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1x1w n ALA 80 Cb 0.12 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1x1w n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1w n GLY 81 N 1.46 1.56 3.73 0.00 0.00 -0.07 -5.07 105.19 106.80 1x1w n GLY 81 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1x1w n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1w s ALA 82 N -1.50 3.78 -1.22 4.61 0.00 -0.70 -4.88 121.76 121.85 1x1w s ALA 82 Ca 0.00 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.21 1x1w s ALA 82 Cb 0.00 -3.63 0.05 0.00 0.00 0.00 0.00 23.12 19.54 1x1w s ALA 82 CO 0.00 -0.84 1.69 0.34 0.00 0.00 0.00 175.76 176.95 1x1w s ASP 83 N 0.89 6.59 -0.12 0.00 3.68 -1.26 -4.49 116.67 121.96 1x1w s ASP 83 Ca 0.68 -2.12 0.02 0.00 2.13 0.00 0.00 52.55 53.26 1x1w s ASP 83 Cb -0.45 -2.58 0.01 0.00 -1.45 0.00 0.00 42.92 38.45 1x1w s ASP 83 CO 0.37 -1.43 -0.19 -0.63 0.13 0.00 0.00 175.17 173.42 1x1w s ILE 84 N 5.04 1.78 -0.23 4.11 1.01 -1.26 -0.80 121.20 130.86 1x1w s ILE 84 Ca 0.54 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 1x1w s ILE 84 Cb 0.02 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1x1w s ILE 84 CO 0.04 0.50 0.02 -0.89 0.00 0.00 0.00 174.94 174.61 1x1w s THR 85 N 0.84 4.01 -0.23 2.92 2.01 0.10 -4.98 115.64 120.32 1x1w s THR 85 Ca -0.08 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1x1w s THR 85 Cb -0.15 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1x1w s THR 85 CO -0.01 0.39 0.04 -0.63 -0.69 0.00 0.00 174.62 173.72 1x1w s ILE 86 N 1.36 4.19 -0.34 1.82 1.01 -1.26 -0.71 121.20 127.27 1x1w s ILE 86 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1x1w s ILE 86 Cb -0.15 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.42 1x1w s ILE 86 CO 0.02 0.38 0.13 -0.63 0.00 0.00 0.00 174.94 174.83 1x1w s ILE 87 N 1.33 4.02 -0.46 2.92 -1.09 0.56 -4.99 121.20 123.49 1x1w s ILE 87 Ca 0.05 -1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 57.33 1x1w s ILE 87 Cb -0.15 -3.24 0.08 0.00 -1.58 0.00 0.00 42.46 37.57 1x1w s ILE 87 CO 0.02 -0.16 0.36 -0.76 -1.23 0.00 0.00 174.94 173.17 1x1w s LEU 88 N 1.46 5.51 0.00 2.97 1.43 -1.26 -0.12 118.68 128.66 1x1w s LEU 88 Ca -0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1x1w s LEU 88 Cb -0.19 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1x1w s LEU 88 CO 0.04 -0.62 0.18 -1.54 0.23 0.00 0.00 176.35 174.63