#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby h GLU 2 N 0.00 0.68 -6.30 2.12 4.39 -1.97 -3.36 114.58 110.15 1dby h GLU 2 Ca 0.00 -0.09 -0.55 0.00 0.34 0.00 0.00 59.36 59.06 1dby h GLU 2 Cb 0.00 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1dby h GLU 2 CO 0.00 0.55 0.69 0.00 -1.16 0.00 0.00 179.01 179.09 1dby s ALA 3 N -5.79 3.49 0.83 3.43 0.00 -1.26 -4.73 121.76 117.74 1dby s ALA 3 Ca -0.13 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 1dby s ALA 3 Cb 0.11 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1dby s ALA 3 CO 0.76 -0.76 1.09 0.20 0.00 0.00 0.00 175.76 177.05 1dby s GLY 4 N 1.44 1.64 -0.23 0.00 0.00 -1.16 -4.80 107.32 104.19 1dby s GLY 4 Ca 0.55 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 45.21 1dby s GLY 4 CO 0.21 0.44 0.05 0.00 0.00 0.00 0.00 173.10 173.79 1dby s ALA 5 N -2.97 3.11 0.31 3.20 0.00 -1.26 -0.58 121.76 123.56 1dby s ALA 5 Ca 0.62 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 51.59 1dby s ALA 5 Cb -0.17 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1dby s ALA 5 CO 0.56 -0.39 -0.05 0.14 0.00 0.00 0.00 175.76 176.02 1dby s VAL 6 N 1.44 2.79 0.18 0.00 -7.23 0.04 -4.93 120.40 112.69 1dby s VAL 6 Ca 0.05 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1dby s VAL 6 Cb -0.15 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1dby s VAL 6 CO 0.02 -0.30 0.12 0.21 -0.31 0.00 0.00 175.10 174.85 1dby s ASN 7 N -3.65 0.19 0.28 4.85 3.84 -1.26 -2.21 114.94 116.98 1dby s ASN 7 Ca 0.33 -1.30 -0.06 0.00 0.21 0.00 0.00 52.86 52.03 1dby s ASN 7 Cb -0.03 0.36 0.52 0.00 -0.55 0.00 0.00 41.25 41.55 1dby s ASN 7 CO 0.18 -0.82 1.55 -0.67 -2.79 0.00 0.00 177.10 174.56 1dby n ASP 8 N -0.22 -0.31 0.08 -4.21 2.03 -1.26 -0.16 116.55 112.50 1dby n ASP 8 Ca -0.01 1.70 -0.06 0.00 0.52 0.00 0.00 54.79 56.95 1dby n ASP 8 Cb 0.65 -0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1dby n ASP 8 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1dby h ASP 9 N 0.00 -0.47 -0.53 1.67 3.58 -1.96 -3.25 116.42 115.46 1dby h ASP 9 Ca 0.50 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.91 1dby h ASP 9 Cb 0.83 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 1dby h ASP 9 CO -1.00 -0.21 0.00 0.71 -2.88 0.00 0.00 179.24 175.86 1dby h THR 10 N -0.30 1.26 -0.95 2.25 1.35 -1.76 -3.22 112.91 111.55 1dby h THR 10 Ca -0.01 -1.10 0.24 0.00 -0.55 0.00 0.00 66.41 64.99 1dby h THR 10 Cb 0.27 0.91 -0.18 0.00 -1.73 0.00 0.00 68.15 67.43 1dby h THR 10 CO -0.04 0.39 -0.05 0.33 -0.25 0.00 0.00 175.52 175.90 1dby n PHE 11 N -4.28 0.53 -0.21 4.73 7.35 0.77 -0.67 117.46 125.68 1dby n PHE 11 Ca 0.02 1.15 -0.13 0.00 -0.76 0.00 0.00 57.45 57.72 1dby n PHE 11 Cb 0.32 -1.17 -0.09 0.00 0.35 0.00 0.00 39.48 38.89 1dby n PHE 11 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1dby h LYS 12 N 0.00 -0.28 0.08 -4.13 1.57 -1.58 0.34 116.57 112.57 1dby h LYS 12 Ca 0.54 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.21 1dby h LYS 12 Cb 1.05 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.44 1dby h LYS 12 CO -0.91 -0.19 -0.55 -0.97 -0.57 0.00 0.00 179.45 176.26 1dby h ASN 13 N -0.29 0.35 0.20 0.86 -0.73 -1.18 0.38 115.58 115.16 1dby h ASN 13 Ca 0.10 -0.93 -0.14 0.00 1.87 0.00 0.00 56.30 57.20 1dby h ASN 13 Cb 0.55 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1dby h ASN 13 CO -0.69 1.24 -0.54 0.58 -0.37 0.00 0.00 177.43 177.66 1dby h VAL 14 N -0.50 1.35 0.00 2.57 2.07 -0.79 -3.31 116.25 117.64 1dby h VAL 14 Ca -0.09 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 1dby h VAL 14 Cb 1.40 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1dby h VAL 14 CO 0.10 0.55 -0.25 0.52 0.02 0.00 0.00 177.57 178.52 1dby n VAL 15 N -3.94 1.29 0.09 2.57 0.31 0.11 -4.60 118.33 114.16 1dby n VAL 15 Ca -0.02 0.34 -0.04 0.00 -0.01 0.00 0.00 64.34 64.61 1dby n VAL 15 Cb 0.58 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.24 -0.20 -3.19 7.52 3.38 -1.01 -3.14 115.31 118.44 1dby h LEU 16 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1dby h LEU 16 Cb 0.24 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1dby h LEU 16 CO -0.00 -0.13 -0.06 -0.62 0.09 0.00 0.00 178.44 177.72 1dby n GLU 17 N -2.70 1.15 -3.32 1.13 -0.58 0.11 0.08 120.64 116.50 1dby n GLU 17 Ca -0.03 -0.17 -0.38 0.00 -0.42 0.00 0.00 57.16 56.16 1dby n GLU 17 Cb 0.09 -1.18 -0.06 0.00 -0.57 0.00 0.00 31.44 29.73 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1dby s SER 18 N 2.00 7.00 -0.11 1.62 0.15 -1.19 -4.85 113.70 118.33 1dby s SER 18 Ca 0.11 1.19 -0.16 0.00 0.70 0.00 0.00 55.95 57.79 1dby s SER 18 Cb 0.05 -2.33 -0.14 0.00 -1.71 0.00 0.00 66.02 61.89 1dby s SER 18 CO 0.00 0.27 0.49 0.77 1.20 0.00 0.00 173.24 175.97 1dby h SER 19 N 4.66 -0.04 -4.28 5.45 4.64 -1.91 0.18 113.55 122.25 1dby h SER 19 Ca -0.50 -0.47 -0.49 0.00 -0.47 0.00 0.00 61.79 59.86 1dby h SER 19 Cb 1.21 0.01 0.05 0.00 -0.31 0.00 0.00 62.40 63.36 1dby h SER 19 CO 0.63 0.67 0.39 0.68 -0.87 0.00 0.00 176.83 178.34 1dby s VAL 20 N -2.20 4.47 0.67 0.95 -7.23 -1.26 -4.29 120.40 111.50 1dby s VAL 20 Ca -0.10 0.99 -0.16 0.00 -1.81 0.00 0.00 61.98 60.89 1dby s VAL 20 Cb -0.01 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.22 1dby s VAL 20 CO 0.37 -0.87 1.19 -2.84 -0.31 0.00 0.00 175.10 172.64 1dby s PRO 21 N -4.62 2.57 -0.12 4.82 0.02 -1.26 -4.70 135.00 131.71 1dby s PRO 21 Ca 0.58 1.73 -0.05 0.00 0.02 0.00 0.00 61.00 63.27 1dby s PRO 21 Cb -0.11 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.57 1dby s PRO 21 CO 0.43 -1.50 0.26 0.08 -0.33 0.00 0.00 177.00 175.94 1dby s VAL 22 N -1.89 -0.25 -0.21 3.83 1.01 0.56 -1.87 120.40 121.58 1dby s VAL 22 Ca 0.74 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 1dby s VAL 22 Cb -0.28 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1dby s VAL 22 CO 0.40 0.09 0.02 -0.22 0.00 0.00 0.00 175.10 175.39 1dby s LEU 23 N 1.92 3.33 -0.11 3.92 0.20 -1.12 -0.42 118.68 126.40 1dby s LEU 23 Ca -0.03 -0.19 -0.00 0.00 0.69 0.00 0.00 54.13 54.60 1dby s LEU 23 Cb -0.11 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.77 1dby s LEU 23 CO -0.09 0.05 -0.10 0.68 -0.29 0.00 0.00 176.35 176.60 1dby s VAL 24 N 1.12 3.40 -0.24 1.68 -7.23 0.24 -0.92 120.40 118.45 1dby s VAL 24 Ca 0.03 -0.56 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 1dby s VAL 24 Cb -0.14 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1dby s VAL 24 CO 0.02 0.54 0.31 -0.62 -0.31 0.00 0.00 175.10 175.04 1dby s ASP 25 N -0.03 6.27 -0.44 4.85 2.15 -0.83 -0.95 116.67 127.69 1dby s ASP 25 Ca -0.01 0.31 -0.29 0.00 0.43 0.00 0.00 52.55 52.99 1dby s ASP 25 Cb -0.14 -2.18 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 1dby s ASP 25 CO 0.03 -0.07 1.20 -0.36 -0.17 0.00 0.00 175.17 175.80 1dby s PHE 26 N 1.49 2.76 0.18 -5.34 0.40 0.30 -0.70 117.98 117.07 1dby s PHE 26 Ca 0.14 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1dby s PHE 26 Cb -0.15 -4.32 -0.00 0.00 0.51 0.00 0.00 43.02 39.07 1dby s PHE 26 CO 0.08 -1.39 0.02 -2.67 0.70 0.00 0.00 175.22 171.95 1dby n TRP 27 N 7.94 0.33 -3.56 0.36 4.27 0.17 -3.82 117.44 123.13 1dby n TRP 27 Ca 0.13 -0.98 -0.06 0.00 -3.89 0.00 0.00 57.50 52.70 1dby n TRP 27 Cb 0.48 -0.09 -0.03 0.00 -1.36 0.00 0.00 31.31 30.32 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 -2.36 -1.97 0.29 -1.67 0.00 -1.26 -0.31 121.76 114.48 1dby s ALA 28 Ca 0.02 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 1dby s ALA 28 Cb 0.00 -0.12 0.44 0.00 0.00 0.00 0.00 23.12 23.45 1dby s ALA 28 CO 0.02 -0.56 1.95 -1.00 0.00 0.00 0.00 175.76 176.17 1dby h PRO 29 N 2.09 1.10 0.00 0.00 0.13 -2.02 0.12 132.00 133.41 1dby h PRO 29 Ca -0.15 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1dby h PRO 29 Cb 1.19 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1dby h PRO 29 CO 0.27 0.73 0.00 -2.67 -0.23 0.00 0.00 178.00 176.09 1dby n TRP 30 N -4.43 0.00 -2.57 1.56 4.27 -1.26 -4.47 117.44 110.54 1dby n TRP 30 Ca 0.11 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.30 1dby n TRP 30 Cb 0.07 -0.43 -0.02 0.00 -1.36 0.00 0.00 31.31 29.57 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby h GLY 32 N 12.67 -1.15 -0.26 0.00 0.00 -1.83 -0.05 103.07 112.45 1dby h GLY 32 Ca 0.31 0.85 0.14 0.00 0.00 0.00 0.00 47.33 48.63 1dby h GLY 32 CO 1.44 -0.14 -0.11 -2.55 0.00 0.00 0.00 176.54 175.19 1dby h PRO 33 N -0.03 0.03 -0.04 4.80 0.11 -1.95 -0.71 132.00 134.22 1dby h PRO 33 Ca 0.13 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.25 1dby h PRO 33 Cb 0.36 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1dby h PRO 33 CO -0.76 0.02 -0.07 0.00 -0.21 0.00 0.00 178.00 176.98 1dby h ARG 35 N -0.11 0.53 -0.47 0.00 2.47 -0.16 0.20 114.38 116.84 1dby h ARG 35 Ca 0.04 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 1dby h ARG 35 Cb 0.17 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1dby h ARG 35 CO -0.10 0.35 -0.16 -0.84 0.56 0.00 0.00 179.97 179.78 1dby h ILE 36 N 0.54 1.27 0.00 2.04 3.07 -0.87 -2.90 117.51 120.66 1dby h ILE 36 Ca 0.17 -1.28 -0.06 0.00 1.55 0.00 0.00 64.86 65.23 1dby h ILE 36 Cb -0.01 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.60 1dby h ILE 36 CO -0.07 0.44 -0.30 0.16 -1.05 0.00 0.00 178.15 177.34 1dby h ILE 37 N 0.79 0.55 -0.97 0.16 3.07 -1.05 -3.39 117.51 116.68 1dby h ILE 37 Ca 0.12 -1.62 0.19 0.00 1.55 0.00 0.00 64.86 65.10 1dby h ILE 37 Cb 0.69 2.15 -0.18 0.00 -0.27 0.00 0.00 36.82 39.21 1dby h ILE 37 CO 0.05 0.29 -0.26 0.00 -1.05 0.00 0.00 178.15 177.19 1dby n ALA 38 N -2.19 0.19 0.17 0.16 0.00 0.68 -0.06 120.51 119.45 1dby n ALA 38 Ca 0.02 1.05 0.02 0.00 0.00 0.00 0.00 53.44 54.53 1dby n ALA 38 Cb 0.60 -0.61 0.29 0.00 0.00 0.00 0.00 19.45 19.74 1dby n ALA 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1dby h PRO 39 N 0.00 0.00 -0.20 0.00 0.13 -1.77 -0.09 132.00 130.08 1dby h PRO 39 Ca 0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.48 1dby h PRO 39 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1dby h PRO 39 CO -0.99 0.46 -0.25 0.28 -0.23 0.00 0.00 178.00 177.27 1dby h VAL 40 N 0.00 1.33 -0.69 1.56 2.07 -0.74 0.47 116.25 120.26 1dby h VAL 40 Ca -0.00 -1.44 0.10 0.00 0.82 0.00 0.00 66.70 66.18 1dby h VAL 40 Cb 0.84 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1dby h VAL 40 CO 0.06 0.44 0.32 0.58 0.02 0.00 0.00 177.57 178.98 1dby h VAL 41 N 0.18 0.81 0.38 2.57 2.07 -0.42 -0.24 116.25 121.60 1dby h VAL 41 Ca 0.03 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1dby h VAL 41 Cb 0.81 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1dby h VAL 41 CO 0.06 0.10 -0.18 -0.78 0.02 0.00 0.00 177.57 176.78 1dby h ASP 42 N 0.53 -0.44 -0.99 0.57 3.58 -0.68 0.36 116.42 119.35 1dby h ASP 42 Ca 0.34 -0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.78 1dby h ASP 42 Cb 0.40 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 1dby h ASP 42 CO -0.29 -0.21 0.65 1.05 -2.88 0.00 0.00 179.24 177.55 1dby h GLU 43 N -0.64 1.20 -0.48 0.28 4.11 -0.60 0.26 114.58 118.72 1dby h GLU 43 Ca -0.05 -0.07 0.03 0.00 0.07 0.00 0.00 59.36 59.34 1dby h GLU 43 Cb 0.47 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1dby h GLU 43 CO 0.09 0.80 0.26 0.82 0.07 0.00 0.00 179.01 181.05 1dby h ILE 44 N 1.24 1.01 -0.70 -1.06 2.04 -0.90 0.17 117.51 119.31 1dby h ILE 44 Ca 0.40 -0.18 0.13 0.00 1.00 0.00 0.00 64.86 66.21 1dby h ILE 44 Cb 0.04 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 36.47 1dby h ILE 44 CO -0.14 0.10 0.26 0.00 0.00 0.00 0.00 178.15 178.37 1dby h ALA 45 N 1.23 0.95 -0.14 1.87 0.00 0.96 -0.92 119.26 123.21 1dby h ALA 45 Ca 0.20 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1dby h ALA 45 Cb 0.06 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1dby h ALA 45 CO -0.11 -0.21 -0.42 0.78 0.00 0.00 0.00 179.25 179.28 1dby h GLY 46 N 0.41 -0.70 0.01 0.00 0.00 0.81 -0.80 103.07 102.81 1dby h GLY 46 Ca 0.38 0.52 0.09 0.00 0.00 0.00 0.00 47.33 48.32 1dby h GLY 46 CO -0.38 -0.22 -0.17 0.83 0.00 0.00 0.00 176.54 176.59 1dby h GLU 47 N -0.49 -0.08 -0.82 4.80 5.08 0.18 -1.52 114.58 121.73 1dby h GLU 47 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1dby h GLU 47 Cb 0.62 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1dby h GLU 47 CO -0.40 -0.05 0.00 0.66 -1.00 0.00 0.00 179.01 178.22 1dby n TYR 48 N -5.37 0.87 -1.36 4.33 4.01 -0.47 -4.95 117.16 114.21 1dby n TYR 48 Ca 0.03 -0.30 -0.36 0.00 -0.16 0.00 0.00 57.90 57.11 1dby n TYR 48 Cb 0.28 -0.27 0.09 0.00 -0.31 0.00 0.00 39.34 39.12 1dby n TYR 48 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1dby n LYS 49 N 0.26 0.51 0.00 -0.72 4.76 -0.34 -0.83 118.16 121.80 1dby n LYS 49 Ca 0.12 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1dby n LYS 49 Cb 0.64 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1dby n LYS 49 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1dby n ASP 50 N -1.67 0.00 -0.05 4.39 2.03 -1.26 -4.42 116.55 115.57 1dby n ASP 50 Ca 0.13 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.32 1dby n ASP 50 Cb 0.49 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.79 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dby h LYS 51 N 0.00 -0.02 0.00 -0.67 1.57 -1.93 -3.51 116.57 112.02 1dby h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dby h LYS 51 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dby h LYS 51 CO 0.00 0.75 0.00 -0.11 -0.57 0.00 0.00 179.45 179.52 1dby n LEU 52 N -4.68 0.00 -4.58 2.94 7.94 -0.01 -4.64 117.00 113.97 1dby n LEU 52 Ca -0.08 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.45 1dby n LEU 52 Cb 0.37 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.30 1dby n LEU 52 CO 0.28 0.00 1.73 -1.59 -1.11 0.00 0.00 177.39 176.70 1dby s LYS 53 N 1.17 3.39 -0.14 1.96 0.00 -0.78 -4.74 119.74 120.59 1dby s LYS 53 Ca 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 55.97 54.40 1dby s LYS 53 Cb 0.00 -5.39 0.07 0.00 0.00 0.00 0.00 37.83 32.50 1dby s LYS 53 CO 0.00 -2.85 0.30 0.00 0.00 0.00 0.00 175.35 172.80 1dby s VAL 55 N 2.28 0.02 -0.16 0.00 1.01 -0.10 -3.01 120.40 120.44 1dby s VAL 55 Ca -0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 1dby s VAL 55 Cb -0.12 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.42 1dby s VAL 55 CO -0.10 -0.08 0.02 -0.54 0.00 0.00 0.00 175.10 174.40 1dby s LYS 56 N -3.94 0.74 -0.35 2.72 1.02 0.25 -1.96 119.74 118.21 1dby s LYS 56 Ca 0.15 -0.28 -0.18 0.00 0.02 0.00 0.00 55.97 55.67 1dby s LYS 56 Cb -0.01 -1.78 -0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1dby s LYS 56 CO 0.03 -0.52 0.53 -1.17 -0.92 0.00 0.00 175.35 173.30 1dby s LEU 57 N 1.86 4.35 -0.39 3.17 2.96 0.12 -0.78 118.68 129.97 1dby s LEU 57 Ca 0.01 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.61 1dby s LEU 57 Cb -0.15 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1dby s LEU 57 CO -0.07 -0.50 1.54 0.21 -1.32 0.00 0.00 176.35 176.21 1dby s ASN 58 N 1.77 6.18 0.25 3.68 3.84 -0.94 -0.66 114.94 129.06 1dby s ASN 58 Ca 0.19 0.96 0.04 0.00 0.21 0.00 0.00 52.86 54.26 1dby s ASN 58 Cb -0.15 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.33 1dby s ASN 58 CO 0.14 -1.54 1.62 0.74 -2.79 0.00 0.00 177.10 175.27 1dby h THR 59 N 6.58 1.33 -0.57 -5.21 2.02 -0.94 0.33 112.91 116.45 1dby h THR 59 Ca -0.30 -1.69 -0.07 0.00 0.77 0.00 0.00 66.41 65.13 1dby h THR 59 Cb 1.13 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 1dby h THR 59 CO 1.07 0.51 0.10 -0.78 0.37 0.00 0.00 175.52 176.79 1dby h ASP 60 N 0.26 0.87 0.82 4.18 1.82 -1.90 -0.24 116.42 122.24 1dby h ASP 60 Ca 0.01 -0.18 -0.19 0.00 -0.39 0.00 0.00 57.03 56.28 1dby h ASP 60 Cb 0.94 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 1dby h ASP 60 CO 0.08 0.87 -1.28 -0.08 -1.61 0.00 0.00 179.24 177.22 1dby h GLU 61 N 0.87 0.00 -1.71 0.28 4.57 -1.88 -3.38 114.58 113.32 1dby h GLU 61 Ca 0.18 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.78 1dby h GLU 61 Cb 0.38 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 28.55 1dby h GLU 61 CO 0.01 0.44 -0.73 0.45 -1.18 0.00 0.00 179.01 178.00 1dby n SER 62 N -3.03 4.48 -0.23 1.04 2.88 0.12 -4.74 113.62 114.13 1dby n SER 62 Ca -0.08 -3.67 -0.02 0.00 -1.33 0.00 0.00 58.87 53.78 1dby n SER 62 Cb 0.88 -0.49 0.18 0.00 -0.75 0.00 0.00 64.21 64.03 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dby h PRO 63 N 2.71 1.04 -0.06 -1.46 0.13 -1.24 -3.20 132.00 129.91 1dby h PRO 63 Ca 0.24 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1dby h PRO 63 Cb 0.82 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1dby h PRO 63 CO 0.82 0.77 -0.04 0.09 -0.23 0.00 0.00 178.00 179.41 1dby n ASN 64 N -4.35 -0.07 0.05 1.44 4.13 -1.26 0.40 115.26 115.60 1dby n ASN 64 Ca 0.08 0.96 -0.11 0.00 1.68 0.00 0.00 54.58 57.19 1dby n ASN 64 Cb 0.10 -0.44 -0.04 0.00 -1.54 0.00 0.00 39.78 37.86 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1dby h VAL 65 N 0.00 0.41 -0.87 2.41 2.07 -1.96 -0.87 116.25 117.44 1dby h VAL 65 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1dby h VAL 65 Cb 0.03 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1dby h VAL 65 CO -0.06 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.10 1dby h ALA 66 N 0.44 1.74 -0.09 1.67 0.00 -1.41 0.47 119.26 122.09 1dby h ALA 66 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1dby h ALA 66 Cb 0.48 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dby h ALA 66 CO -0.24 0.06 -0.05 0.77 0.00 0.00 0.00 179.25 179.79 1dby h SER 67 N 0.78 0.20 -0.78 0.00 0.02 0.87 0.43 113.55 115.07 1dby h SER 67 Ca 0.42 -0.43 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1dby h SER 67 Cb 0.55 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1dby h SER 67 CO -0.18 0.59 0.44 -0.33 -1.14 0.00 0.00 176.83 176.20 1dby h GLU 68 N -0.19 0.74 0.00 3.45 5.08 -0.48 -2.40 114.58 120.78 1dby h GLU 68 Ca 0.02 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1dby h GLU 68 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1dby h GLU 68 CO 0.01 0.49 -0.55 1.88 -1.00 0.00 0.00 179.01 179.84 1dby h TYR 69 N 0.76 0.00 -0.32 4.33 0.05 -0.80 -3.48 116.97 117.51 1dby h TYR 69 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1dby h TYR 69 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1dby h TYR 69 CO -0.07 0.55 0.00 0.41 -1.05 0.00 0.00 178.16 178.00 1dby n GLY 70 N 1.18 0.89 3.56 3.88 0.00 0.13 -4.99 105.19 109.83 1dby n GLY 70 Ca 0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1dby n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dby s ILE 71 N -2.32 3.91 -0.95 -0.61 1.01 0.27 -4.81 121.20 117.69 1dby s ILE 71 Ca 0.00 -0.72 0.27 0.00 0.00 0.00 0.00 60.65 60.20 1dby s ILE 71 Cb 0.00 -5.04 0.23 0.00 0.01 0.00 0.00 42.46 37.66 1dby s ILE 71 CO 0.00 -1.92 1.85 -2.11 0.00 0.00 0.00 174.94 172.75 1dby n ARG 72 N 8.90 0.04 -3.53 2.79 0.00 -1.26 -4.80 116.66 118.81 1dby n ARG 72 Ca 0.32 0.07 -0.11 0.00 -0.00 0.00 0.00 57.85 58.13 1dby n ARG 72 Cb 0.51 -1.55 -0.02 0.00 -0.00 0.00 0.00 32.46 31.40 1dby n ARG 72 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1dby s SER 73 N -3.23 -0.48 0.10 2.89 0.01 -1.26 -5.19 113.70 106.54 1dby s SER 73 Ca 0.12 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.27 1dby s SER 73 Cb 0.17 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.98 1dby s SER 73 CO 0.50 -1.03 -0.10 0.27 0.41 0.00 0.00 173.24 173.29 1dby s ILE 74 N -3.79 0.96 0.87 1.44 -4.36 -1.26 -4.63 121.20 110.43 1dby s ILE 74 Ca 0.03 -1.62 -0.11 0.00 -0.26 0.00 0.00 60.65 58.70 1dby s ILE 74 Cb -0.02 -1.34 0.11 0.00 1.25 0.00 0.00 42.46 42.47 1dby s ILE 74 CO -0.09 -0.53 1.10 -2.16 0.24 0.00 0.00 174.94 173.50 1dby s PRO 75 N -2.71 1.47 -0.30 0.37 0.04 -1.26 -5.00 135.00 127.61 1dby s PRO 75 Ca 0.05 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1dby s PRO 75 Cb -0.03 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.82 1dby s PRO 75 CO 0.00 -2.19 0.69 0.99 0.04 0.00 0.00 177.00 176.53 1dby s THR 76 N -2.82 -0.76 -0.44 1.26 2.01 -1.25 -4.48 115.64 109.16 1dby s THR 76 Ca 0.64 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 1dby s THR 76 Cb -0.19 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.43 1dby s THR 76 CO 0.57 0.00 0.25 -0.63 -0.69 0.00 0.00 174.62 174.12 1dby s ILE 77 N 2.61 3.49 -0.08 1.82 1.01 0.36 -0.54 121.20 129.87 1dby s ILE 77 Ca -0.07 -2.09 -0.11 0.00 0.00 0.00 0.00 60.65 58.38 1dby s ILE 77 Cb -0.10 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1dby s ILE 77 CO -0.19 -0.72 0.27 -0.04 0.00 0.00 0.00 174.94 174.25 1dby s MET 78 N 1.07 3.73 -0.12 2.79 -1.94 -0.13 -0.07 119.30 124.63 1dby s MET 78 Ca 0.09 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 1dby s MET 78 Cb -0.23 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 1dby s MET 78 CO -0.04 0.68 -0.13 0.08 -0.01 0.00 0.00 175.02 175.60 1dby s VAL 79 N -0.88 3.04 0.28 -6.03 1.01 -0.18 -0.59 120.40 117.05 1dby s VAL 79 Ca 0.19 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1dby s VAL 79 Cb -0.14 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 1dby s VAL 79 CO 0.08 0.53 0.02 -0.36 0.00 0.00 0.00 175.10 175.37 1dby s PHE 80 N 0.23 1.78 -0.16 5.22 0.40 0.44 -0.05 117.98 125.85 1dby s PHE 80 Ca -0.09 -0.92 -0.30 0.00 -0.60 0.00 0.00 56.93 55.02 1dby s PHE 80 Cb -0.15 -1.09 0.13 0.00 0.51 0.00 0.00 43.02 42.42 1dby s PHE 80 CO 0.05 0.01 1.04 -1.59 0.70 0.00 0.00 175.22 175.43 1dby s LYS 81 N -3.87 0.54 -1.63 0.44 0.00 -0.05 -0.32 119.74 114.85 1dby s LYS 81 Ca 0.33 0.07 -0.14 0.00 0.00 0.00 0.00 55.97 56.22 1dby s LYS 81 Cb 0.07 0.25 0.12 0.00 0.00 0.00 0.00 37.83 38.27 1dby s LYS 81 CO 0.12 -0.18 0.72 0.41 0.00 0.00 0.00 175.35 176.42 1dby n GLY 82 N 0.55 -0.40 2.44 0.59 0.00 0.63 -0.76 105.19 108.24 1dby n GLY 82 Ca -0.08 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.56 0.30 3.26 -0.02 0.00 0.11 -4.98 105.19 102.31 1dby n GLY 83 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.95 1.30 0.54 1.61 -0.14 0.06 -4.92 119.74 117.23 1dby s LYS 84 Ca 0.00 -1.61 -0.05 0.00 -1.36 0.00 0.00 55.97 52.95 1dby s LYS 84 Cb 0.00 0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 36.44 1dby s LYS 84 CO 0.00 -0.45 0.85 0.15 -0.76 0.00 0.00 175.35 175.14 1dby s LYS 85 N -4.07 3.18 0.02 1.68 1.02 -1.26 -0.87 119.74 119.43 1dby s LYS 85 Ca 0.37 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1dby s LYS 85 Cb 0.06 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1dby s LYS 85 CO 0.13 -0.49 0.00 0.00 -0.92 0.00 0.00 175.35 174.07 1dby s GLU 87 N -2.00 1.09 -0.39 0.00 2.02 -1.07 -4.99 118.70 113.36 1dby s GLU 87 Ca 0.00 -1.55 0.05 0.00 0.02 0.00 0.00 54.97 53.49 1dby s GLU 87 Cb 0.00 0.15 0.17 0.00 0.10 0.00 0.00 34.13 34.54 1dby s GLU 87 CO 0.00 -0.30 0.47 0.99 0.02 0.00 0.00 175.26 176.44 1dby s THR 88 N -4.02 -0.53 0.36 3.63 2.01 -1.26 -1.01 115.64 114.83 1dby s THR 88 Ca 0.31 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1dby s THR 88 Cb 0.07 -0.46 0.07 0.00 0.01 0.00 0.00 72.50 72.19 1dby s THR 88 CO 0.07 -0.42 0.50 -0.38 -0.69 0.00 0.00 174.62 173.70 1dby n ILE 89 N 4.13 0.00 -4.06 1.82 5.41 0.90 -4.91 119.36 122.64 1dby n ILE 89 Ca 0.13 -0.96 -0.08 0.00 1.00 0.00 0.00 62.75 62.83 1dby n ILE 89 Cb 0.49 -0.93 -0.10 0.00 -0.71 0.00 0.00 39.64 38.39 1dby n ILE 89 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1dby s ILE 90 N -1.30 0.25 0.00 1.39 1.01 -1.26 -0.48 121.20 120.80 1dby s ILE 90 Ca 0.35 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1dby s ILE 90 Cb -0.02 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.32 1dby s ILE 90 CO 0.23 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 174.96 1dby n GLY 91 N 0.59 -0.17 4.66 6.18 0.00 -1.26 -4.52 105.19 110.66 1dby n GLY 91 Ca -0.17 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.00 0.00 -1.80 4.61 0.00 -1.26 -4.91 120.51 114.15 1dby n ALA 92 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1dby n ALA 92 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 4.19 0.60 0.00 -7.23 -1.26 -4.99 120.40 111.70 1dby s VAL 93 Ca 0.00 1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 61.21 1dby s VAL 93 Cb 0.00 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1dby s VAL 93 CO 0.00 -0.43 1.04 -2.65 -0.31 0.00 0.00 175.10 172.75 1dby n PRO 94 N -1.19 0.99 -0.21 4.82 -0.02 -1.26 -4.85 135.00 133.28 1dby n PRO 94 Ca 0.08 0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1dby n PRO 94 Cb 0.53 -2.24 0.27 0.00 -0.02 0.00 0.00 33.50 32.04 1dby n PRO 94 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1dby h LYS 95 N 0.59 0.92 -0.52 -0.52 1.79 -1.99 -1.48 116.57 115.36 1dby h LYS 95 Ca -0.49 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.03 1dby h LYS 95 Cb 1.36 -0.21 -0.10 0.00 -1.58 0.00 0.00 32.23 31.70 1dby h LYS 95 CO 0.52 0.61 -0.15 0.00 -1.08 0.00 0.00 179.45 179.34 1dby h ALA 96 N 1.55 0.30 -0.29 3.86 0.00 -1.99 0.22 119.26 122.90 1dby h ALA 96 Ca 0.29 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.44 1dby h ALA 96 Cb -0.00 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1dby h ALA 96 CO -0.08 -0.47 0.07 1.15 0.00 0.00 0.00 179.25 179.93 1dby h THR 97 N -0.03 0.88 0.27 0.00 2.02 -1.63 0.48 112.91 114.90 1dby h THR 97 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1dby h THR 97 Cb 0.41 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1dby h THR 97 CO -0.55 0.03 -0.15 0.40 0.37 0.00 0.00 175.52 175.62 1dby h ILE 98 N 0.18 0.68 -0.08 3.11 2.04 -0.93 -0.13 117.51 122.37 1dby h ILE 98 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1dby h ILE 98 Cb 0.13 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 1dby h ILE 98 CO -0.17 0.00 -0.24 0.58 0.00 0.00 0.00 178.15 178.33 1dby h VAL 99 N -0.40 0.43 -0.87 1.67 2.07 -0.32 -0.29 116.25 118.55 1dby h VAL 99 Ca -0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.64 1dby h VAL 99 Cb 0.33 0.43 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1dby h VAL 99 CO 0.04 0.00 0.46 1.56 0.02 0.00 0.00 177.57 179.64 1dby h GLN 100 N -0.33 0.63 -0.23 1.57 1.08 -0.70 0.20 115.11 117.33 1dby h GLN 100 Ca 0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1dby h GLN 100 Cb 0.45 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1dby h GLN 100 CO -0.27 0.42 0.15 1.15 -0.95 0.00 0.00 178.83 179.33 1dby h THR 101 N 0.65 1.06 -0.50 -0.54 2.02 0.26 -3.01 112.91 112.84 1dby h THR 101 Ca 0.47 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.45 1dby h THR 101 Cb 0.67 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1dby h THR 101 CO -0.36 0.06 -0.08 0.58 0.37 0.00 0.00 175.52 176.08 1dby h VAL 102 N 0.31 1.26 -0.93 3.16 2.07 0.64 -3.23 116.25 119.53 1dby h VAL 102 Ca 0.09 -1.19 0.26 0.00 0.82 0.00 0.00 66.70 66.68 1dby h VAL 102 Cb -0.03 0.96 -0.14 0.00 -1.52 0.00 0.00 31.29 30.56 1dby h VAL 102 CO -0.02 0.42 0.39 -0.33 0.02 0.00 0.00 177.57 178.04 1dby h GLU 103 N 0.82 0.28 -1.04 1.57 4.39 -0.56 0.26 114.58 120.31 1dby h GLU 103 Ca 0.14 -0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.13 1dby h GLU 103 Cb 0.61 -0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 29.06 1dby h GLU 103 CO 0.04 0.19 0.62 -0.22 -1.16 0.00 0.00 179.01 178.47 1dby h LYS 104 N 0.29 0.35 -1.00 2.33 3.64 -1.64 0.33 116.57 120.88 1dby h LYS 104 Ca 0.62 -0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 59.48 1dby h LYS 104 Cb 1.31 -0.08 -0.30 0.00 -0.41 0.00 0.00 32.23 32.75 1dby h LYS 104 CO -0.61 0.23 0.64 0.66 -2.27 0.00 0.00 179.45 178.10 1dby n TYR 105 N -4.92 2.97 0.00 1.91 4.01 0.91 -4.48 117.16 117.55 1dby n TYR 105 Ca 0.30 -1.81 0.00 0.00 -0.16 0.00 0.00 57.90 56.24 1dby n TYR 105 Cb 0.97 -0.93 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1dby n TYR 105 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1dby n LEU 106 N -1.09 0.00 0.00 7.72 0.00 0.98 -5.06 117.00 119.55 1dby n LEU 106 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.59 1dby n LEU 106 Cb 1.63 0.08 0.00 0.00 0.00 0.00 0.00 43.42 45.14 1dby n LEU 106 CO 0.59 -0.36 0.00 -3.20 0.00 0.00 0.00 177.39 174.42