#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby n GLU 2 N 0.00 0.07 -1.93 2.12 0.00 -1.25 -2.43 120.64 117.22 1dby n GLU 2 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.81 1dby n GLU 2 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 31.44 29.51 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dby s ALA 3 N -2.11 3.75 0.11 -1.84 0.00 -1.26 -4.13 121.76 116.28 1dby s ALA 3 Ca 0.63 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.93 1dby s ALA 3 Cb -0.29 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.20 1dby s ALA 3 CO 0.61 -0.88 0.13 0.41 0.00 0.00 0.00 175.76 176.02 1dby n GLY 4 N 3.83 2.39 2.98 0.00 0.00 0.27 -4.96 105.19 109.70 1dby n GLY 4 Ca 0.14 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 1dby n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 5 N -2.15 0.50 0.25 4.61 0.00 -1.26 -3.21 121.76 120.50 1dby s ALA 5 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1dby s ALA 5 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1dby s ALA 5 CO 0.06 0.10 0.19 0.14 0.00 0.00 0.00 175.76 176.25 1dby s VAL 6 N -0.32 0.01 0.26 0.00 -7.23 0.21 -4.84 120.40 108.49 1dby s VAL 6 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 1dby s VAL 6 Cb -0.03 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 1dby s VAL 6 CO -0.00 0.00 0.50 0.21 -0.31 0.00 0.00 175.10 175.49 1dby s ASN 7 N -3.25 -0.01 0.23 4.85 3.84 -1.26 -3.12 114.94 116.23 1dby s ASN 7 Ca 0.40 -0.98 -0.16 0.00 0.21 0.00 0.00 52.86 52.33 1dby s ASN 7 Cb 0.05 0.61 0.26 0.00 -0.55 0.00 0.00 41.25 41.62 1dby s ASN 7 CO 0.18 -1.18 1.49 -0.67 -2.79 0.00 0.00 177.10 174.13 1dby n ASP 8 N -0.51 -0.59 0.17 -4.21 2.03 -1.26 -0.20 116.55 111.98 1dby n ASP 8 Ca -0.02 1.67 -0.14 0.00 0.52 0.00 0.00 54.79 56.82 1dby n ASP 8 Cb 0.62 -0.40 -0.08 0.00 -0.72 0.00 0.00 41.12 40.54 1dby n ASP 8 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1dby h ASP 9 N 0.00 -0.32 0.22 1.67 5.19 -1.97 -3.23 116.42 117.98 1dby h ASP 9 Ca 0.35 -0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.56 1dby h ASP 9 Cb 0.59 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 1dby h ASP 9 CO -0.96 -0.21 -0.74 0.71 -3.12 0.00 0.00 179.24 174.92 1dby h THR 10 N -0.39 1.37 -0.97 0.35 1.35 -1.74 -3.29 112.91 109.59 1dby h THR 10 Ca -0.04 -2.14 0.23 0.00 -0.55 0.00 0.00 66.41 63.92 1dby h THR 10 Cb 0.30 2.11 -0.18 0.00 -1.73 0.00 0.00 68.15 68.65 1dby h THR 10 CO 0.06 0.65 -0.10 0.33 -0.25 0.00 0.00 175.52 176.21 1dby n PHE 11 N -3.84 0.49 0.00 4.73 7.35 0.72 -0.92 117.46 125.99 1dby n PHE 11 Ca -0.05 1.18 0.00 0.00 -0.76 0.00 0.00 57.45 57.82 1dby n PHE 11 Cb 0.72 -1.15 0.00 0.00 0.35 0.00 0.00 39.48 39.39 1dby n PHE 11 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1dby n LYS 12 N -5.51 0.00 -0.05 -4.13 4.76 -1.24 0.11 118.16 112.10 1dby n LYS 12 Ca 0.19 0.91 -0.11 0.00 -2.87 0.00 0.00 58.31 56.44 1dby n LYS 12 Cb 0.63 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.29 1dby n LYS 12 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1dby h ASN 13 N 0.00 0.26 0.09 4.39 -0.26 -1.49 0.05 115.58 118.62 1dby h ASN 13 Ca 0.00 -0.18 -0.21 0.00 -0.56 0.00 0.00 56.30 55.35 1dby h ASN 13 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1dby h ASN 13 CO 0.00 0.37 -0.77 0.58 -1.06 0.00 0.00 177.43 176.55 1dby h VAL 14 N 0.13 1.34 0.00 2.81 2.07 -0.92 -3.32 116.25 118.35 1dby h VAL 14 Ca 0.06 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1dby h VAL 14 Cb 0.20 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1dby h VAL 14 CO -0.00 0.64 -0.36 0.52 0.02 0.00 0.00 177.57 178.39 1dby n VAL 15 N -3.87 0.65 0.43 2.57 0.31 0.12 -4.51 118.33 114.03 1dby n VAL 15 Ca -0.06 0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 64.40 1dby n VAL 15 Cb 0.74 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 1dby n VAL 15 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1dby h LEU 16 N -0.36 -0.94 -3.16 7.52 3.38 -1.01 -2.88 115.31 117.85 1dby h LEU 16 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1dby h LEU 16 Cb 0.36 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1dby h LEU 16 CO 0.00 -0.60 -0.05 -0.62 0.09 0.00 0.00 178.44 177.26 1dby n GLU 17 N -5.52 1.11 -2.53 1.13 4.71 -0.07 -0.24 120.64 119.23 1dby n GLU 17 Ca -0.14 -0.14 -0.23 0.00 -0.01 0.00 0.00 57.16 56.64 1dby n GLU 17 Cb 0.44 -1.15 0.04 0.00 -1.01 0.00 0.00 31.44 29.77 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1dby s SER 18 N 2.00 5.23 0.00 1.62 0.15 -1.09 -4.83 113.70 116.78 1dby s SER 18 Ca 0.09 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1dby s SER 18 Cb 0.04 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 1dby s SER 18 CO 0.00 -1.22 0.00 -1.54 1.20 0.00 0.00 173.24 171.68 1dby n SER 19 N -2.50 0.00 -4.85 5.45 3.41 -1.26 -4.57 113.62 109.30 1dby n SER 19 Ca 0.07 0.06 -0.32 0.00 -0.26 0.00 0.00 58.87 58.42 1dby n SER 19 Cb 0.59 -0.42 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1dby n SER 19 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1dby s VAL 20 N -0.83 4.53 0.94 -3.33 -7.23 -1.26 -4.54 120.40 108.67 1dby s VAL 20 Ca 0.00 0.98 -0.13 0.00 -1.81 0.00 0.00 61.98 61.02 1dby s VAL 20 Cb 0.00 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1dby s VAL 20 CO 0.00 -0.92 0.27 -2.65 -0.31 0.00 0.00 175.10 171.49 1dby n PRO 21 N -2.31 -0.22 -3.74 4.82 -0.02 -0.73 -4.71 135.00 128.09 1dby n PRO 21 Ca 0.07 -0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.36 1dby n PRO 21 Cb 0.54 -1.75 -0.16 0.00 -0.02 0.00 0.00 33.50 32.11 1dby n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dby s VAL 22 N -2.32 -0.08 -0.45 -1.45 1.01 -0.07 -0.71 120.40 116.33 1dby s VAL 22 Ca 0.55 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1dby s VAL 22 Cb -0.22 -0.15 0.08 0.00 0.00 0.00 0.00 36.38 36.09 1dby s VAL 22 CO 0.69 0.10 0.33 -0.22 0.00 0.00 0.00 175.10 176.00 1dby s LEU 23 N 1.35 5.41 -0.19 3.92 0.20 0.94 -0.10 118.68 130.20 1dby s LEU 23 Ca -0.06 -1.43 -0.15 0.00 0.69 0.00 0.00 54.13 53.17 1dby s LEU 23 Cb -0.12 -2.09 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 1dby s LEU 23 CO -0.04 -0.60 0.36 -0.69 -0.29 0.00 0.00 176.35 175.09 1dby s VAL 24 N 1.53 5.23 -0.33 1.68 1.01 0.25 -0.19 120.40 129.59 1dby s VAL 24 Ca 0.04 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1dby s VAL 24 Cb -0.24 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1dby s VAL 24 CO 0.04 0.29 0.22 -0.62 0.00 0.00 0.00 175.10 175.03 1dby s ASP 25 N 0.91 5.95 -0.42 3.32 2.15 0.59 -0.23 116.67 128.93 1dby s ASP 25 Ca 0.18 -0.40 -0.29 0.00 0.43 0.00 0.00 52.55 52.47 1dby s ASP 25 Cb -0.14 -2.11 0.02 0.00 -0.30 0.00 0.00 42.92 40.39 1dby s ASP 25 CO 0.07 -0.21 1.17 -0.36 -0.17 0.00 0.00 175.17 175.67 1dby s PHE 26 N 1.70 2.82 0.20 -5.34 0.40 0.04 -0.77 117.98 117.03 1dby s PHE 26 Ca 0.06 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1dby s PHE 26 Cb -0.17 -4.23 -0.01 0.00 0.51 0.00 0.00 43.02 39.12 1dby s PHE 26 CO 0.10 -1.29 0.05 -2.67 0.70 0.00 0.00 175.22 172.11 1dby n TRP 27 N 7.75 0.17 -3.64 0.36 4.27 -0.20 -3.07 117.44 123.09 1dby n TRP 27 Ca 0.13 -1.18 -0.09 0.00 -3.89 0.00 0.00 57.50 52.47 1dby n TRP 27 Cb 0.48 -0.04 -0.07 0.00 -1.36 0.00 0.00 31.31 30.33 1dby n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby s ALA 28 N -2.48 -1.99 0.22 -1.67 0.00 -1.26 -0.32 121.76 114.26 1dby s ALA 28 Ca 0.07 1.86 -0.18 0.00 0.00 0.00 0.00 51.96 53.72 1dby s ALA 28 Cb 0.00 -1.46 0.21 0.00 0.00 0.00 0.00 23.12 21.88 1dby s ALA 28 CO 0.05 -0.23 1.49 -2.30 0.00 0.00 0.00 175.76 174.77 1dby n PRO 29 N 2.17 -0.24 0.32 0.00 -0.02 -1.26 -0.54 135.00 135.44 1dby n PRO 29 Ca -0.12 1.48 0.20 0.00 -2.02 0.00 0.00 63.50 63.03 1dby n PRO 29 Cb 0.56 -2.19 1.06 0.00 -0.02 0.00 0.00 33.50 32.90 1dby n PRO 29 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1dby h TRP 30 N 0.00 0.00 -0.67 6.00 5.08 -2.04 -3.40 115.95 120.91 1dby h TRP 30 Ca 0.32 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.93 1dby h TRP 30 Cb 0.56 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.67 1dby h TRP 30 CO -0.85 0.00 1.02 0.00 -1.28 0.00 0.00 178.44 177.33 1dby h GLY 32 N 17.01 -0.14 1.12 0.00 0.00 -1.85 0.13 103.07 119.33 1dby h GLY 32 Ca 0.17 0.53 0.05 0.00 0.00 0.00 0.00 47.33 48.09 1dby h GLY 32 CO 1.25 -0.17 0.45 -2.55 0.00 0.00 0.00 176.54 175.52 1dby h PRO 33 N -0.08 0.73 -0.04 4.80 0.11 -1.92 -0.16 132.00 135.44 1dby h PRO 33 Ca 0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1dby h PRO 33 Cb 0.56 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1dby h PRO 33 CO -0.86 0.48 -0.00 0.00 -0.21 0.00 0.00 178.00 177.41 1dby h ARG 35 N -0.24 0.38 0.00 0.00 3.08 0.14 0.21 114.38 117.96 1dby h ARG 35 Ca 0.01 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 1dby h ARG 35 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1dby h ARG 35 CO 0.00 0.25 -0.86 -0.84 -1.07 0.00 0.00 179.97 177.46 1dby h ILE 36 N 0.39 1.59 0.12 2.04 -0.00 -1.04 -3.34 117.51 117.28 1dby h ILE 36 Ca 0.25 -2.87 -0.31 0.00 -0.00 0.00 0.00 64.86 61.92 1dby h ILE 36 Cb 0.25 2.56 -0.01 0.00 -0.00 0.00 0.00 36.82 39.62 1dby h ILE 36 CO -0.24 0.82 -1.56 -0.29 -0.00 0.00 0.00 178.15 176.88 1dby h ILE 37 N 0.01 1.12 -0.97 0.16 6.09 -0.73 -3.39 117.51 119.80 1dby h ILE 37 Ca -0.01 -2.76 0.21 0.00 -1.37 0.00 0.00 64.86 60.93 1dby h ILE 37 Cb 1.51 2.74 -0.18 0.00 0.47 0.00 0.00 36.82 41.36 1dby h ILE 37 CO 0.11 0.81 -0.18 0.00 -3.07 0.00 0.00 178.15 175.83 1dby n ALA 38 N -2.68 0.30 -0.01 0.18 0.00 0.71 0.37 120.51 119.37 1dby n ALA 38 Ca -0.17 1.06 0.03 0.00 0.00 0.00 0.00 53.44 54.36 1dby n ALA 38 Cb 1.05 -0.67 0.41 0.00 0.00 0.00 0.00 19.45 20.23 1dby n ALA 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dby h PRO 39 N 0.00 0.56 -0.08 0.00 0.11 -1.76 0.11 132.00 130.94 1dby h PRO 39 Ca 0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.53 1dby h PRO 39 Cb 0.83 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1dby h PRO 39 CO -0.98 0.39 -0.08 0.28 -0.21 0.00 0.00 178.00 177.40 1dby h VAL 40 N 0.58 1.37 -0.24 3.15 2.07 -0.31 0.13 116.25 122.99 1dby h VAL 40 Ca 0.15 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.49 1dby h VAL 40 Cb -0.04 2.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1dby h VAL 40 CO -0.03 0.35 -0.13 0.58 0.02 0.00 0.00 177.57 178.35 1dby h VAL 41 N -0.23 0.60 0.34 2.57 2.07 -0.34 -1.15 116.25 120.11 1dby h VAL 41 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1dby h VAL 41 Cb 0.59 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1dby h VAL 41 CO 0.02 0.00 -0.28 0.44 0.02 0.00 0.00 177.57 177.77 1dby h ASP 42 N -0.11 -0.74 0.05 0.57 3.32 -0.74 -2.06 116.42 116.71 1dby h ASP 42 Ca 0.13 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1dby h ASP 42 Cb 0.31 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1dby h ASP 42 CO -0.31 -0.42 -0.05 1.05 -1.72 0.00 0.00 179.24 177.80 1dby h GLU 43 N -0.63 -0.11 -0.31 3.56 4.11 -0.51 0.23 114.58 120.92 1dby h GLU 43 Ca -0.02 0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.48 1dby h GLU 43 Cb 0.55 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1dby h GLU 43 CO -0.02 -0.07 -0.21 0.82 0.07 0.00 0.00 179.01 179.60 1dby h ILE 44 N -0.11 0.43 -0.19 -1.06 2.04 -1.16 0.21 117.51 117.67 1dby h ILE 44 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1dby h ILE 44 Cb 0.11 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1dby h ILE 44 CO -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.09 1dby h ALA 45 N 0.98 1.58 -0.62 1.87 0.00 -1.03 0.47 119.26 122.51 1dby h ALA 45 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1dby h ALA 45 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1dby h ALA 45 CO -0.42 0.31 0.14 0.78 0.00 0.00 0.00 179.25 180.06 1dby h GLY 46 N 0.63 1.08 0.66 0.00 0.00 0.23 0.31 103.07 105.98 1dby h GLY 46 Ca 0.06 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1dby h GLY 46 CO 0.01 0.64 -0.03 0.83 0.00 0.00 0.00 176.54 177.99 1dby h GLU 47 N 0.92 -0.07 -2.86 4.80 5.08 -0.01 -3.31 114.58 119.14 1dby h GLU 47 Ca 0.19 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.87 1dby h GLU 47 Cb 0.37 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1dby h GLU 47 CO 0.00 0.26 3.32 0.66 -1.00 0.00 0.00 179.01 182.26 1dby n TYR 48 N -4.96 2.47 -0.03 4.33 4.01 0.09 -4.77 117.16 118.29 1dby n TYR 48 Ca -0.08 -2.99 -0.04 0.00 -0.16 0.00 0.00 57.90 54.63 1dby n TYR 48 Cb 0.20 -2.25 -0.03 0.00 -0.31 0.00 0.00 39.34 36.95 1dby n TYR 48 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1dby h LYS 49 N 4.84 -0.11 -0.01 -0.72 1.57 -1.64 -1.19 116.57 119.32 1dby h LYS 49 Ca 0.81 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.63 1dby h LYS 49 Cb 0.29 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1dby h LYS 49 CO 1.67 -0.07 -0.45 0.22 -0.57 0.00 0.00 179.45 180.25 1dby h ASP 50 N -0.11 -1.37 0.03 0.86 3.58 -1.90 0.32 116.42 117.83 1dby h ASP 50 Ca 0.02 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1dby h ASP 50 Cb 0.16 0.53 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1dby h ASP 50 CO -0.15 -0.47 -0.01 0.11 -2.88 0.00 0.00 179.24 175.83 1dby h LYS 51 N -0.60 -0.03 -4.81 0.28 1.57 -1.92 -3.45 116.57 107.62 1dby h LYS 51 Ca 0.04 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.19 1dby h LYS 51 Cb 0.67 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 32.63 1dby h LYS 51 CO -0.33 0.49 -0.83 -1.17 -0.57 0.00 0.00 179.45 177.03 1dby s LEU 52 N -8.47 2.18 -0.32 2.94 2.96 -1.08 -1.77 118.68 115.11 1dby s LEU 52 Ca -0.11 -0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 52.87 1dby s LEU 52 Cb -0.01 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 1dby s LEU 52 CO 0.39 -0.07 0.60 -0.75 -1.32 0.00 0.00 176.35 175.19 1dby s LYS 53 N 1.35 3.80 0.30 1.98 2.36 0.11 0.31 119.74 129.95 1dby s LYS 53 Ca 0.02 0.14 -0.28 0.00 -2.55 0.00 0.00 55.97 53.30 1dby s LYS 53 Cb -0.14 -3.76 -0.09 0.00 -1.05 0.00 0.00 37.83 32.78 1dby s LYS 53 CO -0.10 -0.61 0.98 0.00 1.55 0.00 0.00 175.35 177.17 1dby s VAL 55 N -1.40 0.08 -0.11 0.00 1.01 0.74 -0.57 120.40 120.15 1dby s VAL 55 Ca 0.47 -1.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1dby s VAL 55 Cb -0.24 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1dby s VAL 55 CO 0.30 -0.37 0.04 -0.54 0.00 0.00 0.00 175.10 174.53 1dby s LYS 56 N -3.95 0.35 -0.30 2.72 1.02 -1.20 -0.30 119.74 118.09 1dby s LYS 56 Ca 0.15 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.03 1dby s LYS 56 Cb 0.04 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 1dby s LYS 56 CO -0.02 -0.46 0.27 -1.17 -0.92 0.00 0.00 175.35 173.06 1dby s LEU 57 N 2.03 4.20 -0.44 3.17 2.96 0.05 -0.62 118.68 130.02 1dby s LEU 57 Ca 0.03 -0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.60 1dby s LEU 57 Cb -0.14 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 1dby s LEU 57 CO -0.06 -0.17 1.63 0.21 -1.32 0.00 0.00 176.35 176.64 1dby s ASN 58 N 1.72 5.95 0.21 3.68 3.84 -1.18 -1.03 114.94 128.13 1dby s ASN 58 Ca 0.10 0.81 -0.10 0.00 0.21 0.00 0.00 52.86 53.88 1dby s ASN 58 Cb -0.16 -2.53 0.17 0.00 -0.55 0.00 0.00 41.25 38.17 1dby s ASN 58 CO 0.11 -1.75 1.86 0.74 -2.79 0.00 0.00 177.10 175.27 1dby h THR 59 N 6.65 1.14 -0.42 -5.21 2.02 -0.96 0.40 112.91 116.53 1dby h THR 59 Ca -0.29 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.51 1dby h THR 59 Cb 1.14 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1dby h THR 59 CO 1.11 0.17 0.00 -0.78 0.37 0.00 0.00 175.52 176.39 1dby h ASP 60 N 0.92 0.64 1.24 4.18 1.82 -1.89 -0.74 116.42 122.59 1dby h ASP 60 Ca 0.27 -0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.66 1dby h ASP 60 Cb -0.05 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 1dby h ASP 60 CO -0.08 0.71 -0.80 -0.08 -1.61 0.00 0.00 179.24 177.38 1dby h GLU 61 N 0.64 0.00 -1.41 0.28 4.81 -1.79 -3.38 114.58 113.72 1dby h GLU 61 Ca 0.13 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.81 1dby h GLU 61 Cb 0.39 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.36 1dby h GLU 61 CO 0.01 0.38 -0.81 0.43 -0.73 0.00 0.00 179.01 178.30 1dby n SER 62 N -3.08 4.17 0.23 1.04 7.64 0.13 -4.70 113.62 119.05 1dby n SER 62 Ca -0.02 -3.55 0.09 0.00 1.01 0.00 0.00 58.87 56.41 1dby n SER 62 Cb 0.75 -0.47 0.54 0.00 -1.01 0.00 0.00 64.21 64.02 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dby h PRO 63 N 2.64 0.00 -0.17 1.43 0.13 -1.34 -3.00 132.00 131.69 1dby h PRO 63 Ca 0.23 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.42 1dby h PRO 63 Cb 0.98 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.04 1dby h PRO 63 CO 0.79 0.23 -0.31 -0.91 -0.23 0.00 0.00 178.00 177.56 1dby h ASN 64 N 0.00 -0.97 0.69 1.44 2.35 -1.88 0.22 115.58 117.44 1dby h ASN 64 Ca -0.00 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1dby h ASN 64 Cb 0.58 0.42 0.01 0.00 0.05 0.00 0.00 38.32 39.38 1dby h ASN 64 CO 0.03 -0.34 -0.33 0.58 -1.65 0.00 0.00 177.43 175.71 1dby h VAL 65 N -0.36 0.30 -0.69 2.81 2.07 -1.92 -1.43 116.25 117.03 1dby h VAL 65 Ca 0.11 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1dby h VAL 65 Cb 0.53 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1dby h VAL 65 CO -0.37 0.01 0.26 0.00 0.02 0.00 0.00 177.57 177.48 1dby h ALA 66 N -0.69 0.92 -0.08 1.67 0.00 -1.49 0.11 119.26 119.71 1dby h ALA 66 Ca -0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dby h ALA 66 Cb 0.73 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1dby h ALA 66 CO 0.16 -0.21 0.00 0.66 0.00 0.00 0.00 179.25 179.86 1dby h SER 67 N 0.42 0.14 -0.90 0.00 4.64 -0.49 0.34 113.55 117.69 1dby h SER 67 Ca 0.36 -0.30 0.10 0.00 -0.47 0.00 0.00 61.79 61.49 1dby h SER 67 Cb 0.51 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 1dby h SER 67 CO -0.37 0.40 0.58 -0.33 -0.87 0.00 0.00 176.83 176.24 1dby h GLU 68 N -0.13 0.86 0.00 4.77 4.39 -0.64 -0.41 114.58 123.42 1dby h GLU 68 Ca 0.02 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1dby h GLU 68 Cb 0.33 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1dby h GLU 68 CO 0.00 0.57 -0.32 1.88 -1.16 0.00 0.00 179.01 179.98 1dby h TYR 69 N 0.88 0.00 -0.95 4.33 0.05 -0.51 -3.48 116.97 117.29 1dby h TYR 69 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 1dby h TYR 69 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1dby h TYR 69 CO -0.00 0.32 0.00 0.41 -1.05 0.00 0.00 178.16 177.84 1dby n GLY 70 N 1.02 0.96 3.53 3.88 0.00 0.10 -5.07 105.19 109.61 1dby n GLY 70 Ca 0.02 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1dby n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dby s ILE 71 N -2.94 1.62 0.37 -0.61 -4.36 -0.24 -5.02 121.20 110.02 1dby s ILE 71 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1dby s ILE 71 Cb 0.00 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1dby s ILE 71 CO 0.00 -0.03 0.00 -1.14 0.24 0.00 0.00 174.94 174.01 1dby n ARG 72 N -0.81 0.00 -1.71 0.37 0.63 -1.26 -4.33 116.66 109.55 1dby n ARG 72 Ca -0.04 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.51 1dby n ARG 72 Cb 0.66 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.63 1dby n ARG 72 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1dby n SER 73 N -3.34 2.08 -3.94 6.15 7.64 -1.26 -5.04 113.62 115.91 1dby n SER 73 Ca 0.00 0.90 -0.09 0.00 1.01 0.00 0.00 58.87 60.69 1dby n SER 73 Cb 0.00 -1.53 -0.09 0.00 -1.01 0.00 0.00 64.21 61.58 1dby n SER 73 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1dby s ILE 74 N -1.36 0.14 0.37 0.44 -4.36 -1.26 -4.40 121.20 110.77 1dby s ILE 74 Ca 0.76 -1.17 -0.27 0.00 -0.26 0.00 0.00 60.65 59.71 1dby s ILE 74 Cb -0.41 -0.96 -0.09 0.00 1.25 0.00 0.00 42.46 42.24 1dby s ILE 74 CO 0.46 -0.65 1.21 -2.16 0.24 0.00 0.00 174.94 174.04 1dby s PRO 75 N -2.79 4.20 -0.27 0.37 0.04 -1.26 -4.85 135.00 130.45 1dby s PRO 75 Ca -0.03 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 1dby s PRO 75 Cb -0.00 -2.86 0.09 0.00 0.04 0.00 0.00 34.50 31.77 1dby s PRO 75 CO -0.05 -0.23 0.10 0.99 0.04 0.00 0.00 177.00 177.85 1dby s THR 76 N -1.29 0.27 0.04 1.26 2.01 -1.17 -0.74 115.64 116.02 1dby s THR 76 Ca 0.53 -0.84 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 1dby s THR 76 Cb -0.34 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1dby s THR 76 CO 0.44 -0.59 0.75 -0.63 -0.69 0.00 0.00 174.62 173.89 1dby s ILE 77 N 1.94 4.74 -0.10 1.82 1.09 0.92 -0.78 121.20 130.82 1dby s ILE 77 Ca 0.07 1.60 0.01 0.00 -1.10 0.00 0.00 60.65 61.23 1dby s ILE 77 Cb -0.16 -4.10 0.02 0.00 -1.06 0.00 0.00 42.46 37.15 1dby s ILE 77 CO -0.27 0.37 -0.10 -0.04 -0.10 0.00 0.00 174.94 174.80 1dby s MET 78 N -0.09 1.73 -0.02 2.79 -1.94 0.68 -0.44 119.30 122.01 1dby s MET 78 Ca 0.38 -0.36 -0.11 0.00 -1.71 0.00 0.00 55.69 53.89 1dby s MET 78 Cb -0.20 -1.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.97 1dby s MET 78 CO 0.23 -0.16 0.31 0.08 -0.01 0.00 0.00 175.02 175.47 1dby s VAL 79 N 1.30 5.21 0.18 -6.03 1.01 0.09 -0.58 120.40 121.58 1dby s VAL 79 Ca -0.02 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.54 1dby s VAL 79 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1dby s VAL 79 CO -0.04 0.51 -0.15 -0.36 0.00 0.00 0.00 175.10 175.06 1dby s PHE 80 N -1.15 1.65 -0.30 5.22 0.40 0.85 -0.24 117.98 124.41 1dby s PHE 80 Ca 0.23 -0.57 0.19 0.00 -0.60 0.00 0.00 56.93 56.18 1dby s PHE 80 Cb -0.14 -0.79 0.47 0.00 0.51 0.00 0.00 43.02 43.06 1dby s PHE 80 CO 0.12 0.30 1.21 0.36 0.70 0.00 0.00 175.22 177.91 1dby n LYS 81 N -0.10 1.50 0.00 0.44 0.00 -1.08 -0.89 118.16 118.02 1dby n LYS 81 Ca -0.10 -2.78 0.00 0.00 -0.00 0.00 0.00 58.31 55.43 1dby n LYS 81 Cb 0.59 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.69 1dby n LYS 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dby n GLY 82 N -0.73 0.23 5.18 2.58 0.00 -1.26 -4.83 105.19 106.36 1dby n GLY 82 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1dby n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dby n GLY 83 N 0.67 1.22 3.87 -0.02 0.00 0.66 -4.84 105.19 106.75 1dby n GLY 83 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1dby n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dby s LYS 84 N 0.00 3.49 0.22 1.61 -0.14 -1.26 -4.69 119.74 118.97 1dby s LYS 84 Ca 0.00 0.72 -0.21 0.00 -1.36 0.00 0.00 55.97 55.12 1dby s LYS 84 Cb 0.00 -2.07 -0.08 0.00 -1.68 0.00 0.00 37.83 34.00 1dby s LYS 84 CO 0.00 -0.64 0.75 0.21 -0.76 0.00 0.00 175.35 174.91 1dby s LYS 85 N -5.20 4.33 0.00 1.68 2.20 -1.26 -2.62 119.74 118.87 1dby s LYS 85 Ca 0.55 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 1dby s LYS 85 Cb -0.11 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1dby s LYS 85 CO 0.54 0.41 0.00 0.00 -0.36 0.00 0.00 175.35 175.94 1dby n GLU 87 N -2.17 0.44 -4.01 0.00 -0.58 -1.23 -5.02 120.64 108.07 1dby n GLU 87 Ca 0.00 -1.50 -0.09 0.00 -0.42 0.00 0.00 57.16 55.15 1dby n GLU 87 Cb 0.00 1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 32.29 1dby n GLU 87 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1dby s THR 88 N -2.62 0.14 0.00 2.62 -1.32 -1.26 -0.73 115.64 112.47 1dby s THR 88 Ca 0.15 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1dby s THR 88 Cb -0.01 -1.66 -0.00 0.00 -1.51 0.00 0.00 72.50 69.32 1dby s THR 88 CO 0.11 -0.62 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.26 1dby s ILE 89 N -3.94 0.09 -0.03 5.08 1.01 0.41 -4.97 121.20 118.84 1dby s ILE 89 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1dby s ILE 89 Cb 0.06 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.42 1dby s ILE 89 CO -0.05 -0.02 -0.23 -0.63 0.00 0.00 0.00 174.94 174.01 1dby s ILE 90 N -0.13 1.81 0.00 2.92 1.01 -1.26 -0.06 121.20 125.49 1dby s ILE 90 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1dby s ILE 90 Cb -0.01 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1dby s ILE 90 CO -0.00 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1dby n GLY 91 N 2.65 -0.81 3.43 6.18 0.00 0.08 -4.74 105.19 111.99 1dby n GLY 91 Ca -0.16 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby n ALA 92 N -0.25 3.40 -1.80 4.61 0.00 -1.26 -4.89 120.51 120.31 1dby n ALA 92 Ca 0.00 -3.62 -0.33 0.00 0.00 0.00 0.00 53.44 49.49 1dby n ALA 92 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 15.84 1dby n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1dby s VAL 93 N 5.76 4.25 0.72 0.00 -7.23 -1.26 -5.00 120.40 117.63 1dby s VAL 93 Ca 0.57 1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 61.81 1dby s VAL 93 Cb 0.05 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1dby s VAL 93 CO 0.07 -0.46 0.79 -2.65 -0.31 0.00 0.00 175.10 172.54 1dby n PRO 94 N -1.23 0.43 -0.22 4.82 -0.02 -1.26 -4.57 135.00 132.94 1dby n PRO 94 Ca 0.07 0.20 -0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1dby n PRO 94 Cb 0.54 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1dby n PRO 94 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1dby h LYS 95 N -0.28 -0.01 -0.45 -0.52 3.64 -1.98 0.18 116.57 117.14 1dby h LYS 95 Ca -0.47 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1dby h LYS 95 Cb 1.34 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 1dby h LYS 95 CO 0.45 -0.01 0.13 0.00 -2.27 0.00 0.00 179.45 177.76 1dby h ALA 96 N 1.62 0.53 -0.32 5.00 0.00 -1.99 0.50 119.26 124.60 1dby h ALA 96 Ca 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1dby h ALA 96 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dby h ALA 96 CO -0.69 -0.26 0.15 1.15 0.00 0.00 0.00 179.25 179.60 1dby h THR 97 N 0.29 1.16 0.15 0.00 2.02 -1.14 0.25 112.91 115.64 1dby h THR 97 Ca 0.22 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1dby h THR 97 Cb 0.24 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1dby h THR 97 CO -0.25 0.17 -0.32 0.40 0.37 0.00 0.00 175.52 175.90 1dby h ILE 98 N 0.38 0.33 0.18 3.11 2.04 -0.07 0.92 117.51 124.40 1dby h ILE 98 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1dby h ILE 98 Cb 0.13 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1dby h ILE 98 CO -0.01 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 178.23 1dby h VAL 99 N -0.56 0.06 -0.42 1.67 2.07 -0.76 0.14 116.25 118.46 1dby h VAL 99 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 1dby h VAL 99 Cb 0.57 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1dby h VAL 99 CO -0.17 0.00 -0.22 -0.61 0.02 0.00 0.00 177.57 176.59 1dby h GLN 100 N -0.76 -0.13 -0.42 1.57 -0.00 -0.72 -0.63 115.11 114.01 1dby h GLN 100 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1dby h GLN 100 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.24 1dby h GLN 100 CO -0.24 -0.09 0.23 1.15 0.00 0.00 0.00 178.83 179.88 1dby h THR 101 N -0.14 1.16 0.15 2.39 2.02 -0.51 0.84 112.91 118.82 1dby h THR 101 Ca 0.20 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1dby h THR 101 Cb 0.45 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1dby h THR 101 CO -0.51 0.17 -0.35 0.58 0.37 0.00 0.00 175.52 175.77 1dby h VAL 102 N 0.54 0.26 -0.52 3.16 2.07 0.17 -0.10 116.25 121.83 1dby h VAL 102 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1dby h VAL 102 Cb 0.06 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1dby h VAL 102 CO -0.02 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.47 1dby h GLU 103 N -0.60 0.76 -0.19 1.57 5.08 -0.97 0.11 114.58 120.34 1dby h GLU 103 Ca 0.02 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1dby h GLU 103 Cb 0.62 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1dby h GLU 103 CO -0.19 0.65 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.95 1dby h LYS 104 N 0.70 -0.33 -0.44 2.33 3.64 -0.66 -2.39 116.57 119.42 1dby h LYS 104 Ca 0.18 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1dby h LYS 104 Cb 0.15 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1dby h LYS 104 CO -0.02 -0.22 0.11 1.88 -2.27 0.00 0.00 179.45 178.93 1dby h TYR 105 N -0.34 0.74 0.00 1.91 0.05 -0.43 -3.44 116.97 115.45 1dby h TYR 105 Ca 0.11 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1dby h TYR 105 Cb 0.52 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1dby h TYR 105 CO -0.41 0.68 0.00 1.28 -1.05 0.00 0.00 178.16 178.66 1dby n LEU 106 N -4.52 0.00 0.00 3.88 4.77 0.31 -5.01 117.00 116.43 1dby n LEU 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1dby n LEU 106 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1dby n LEU 106 CO 0.39 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.25