#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 1.14 -6.46 2.12 5.08 -1.97 -3.41 114.58 111.08 1dby h GLU 2 Ca 0.00 -0.28 -0.54 0.00 -1.00 0.00 0.00 59.36 57.54 1dby h GLU 2 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1dby h GLU 2 CO 0.00 1.01 -0.06 0.00 -1.00 0.00 0.00 179.01 178.96 1dby s ALA 3 N -5.28 3.52 0.91 3.43 0.00 -1.24 -4.82 121.76 118.28 1dby s ALA 3 Ca -0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1dby s ALA 3 Cb 0.15 -2.53 0.14 0.00 0.00 0.00 0.00 23.12 20.87 1dby s ALA 3 CO 0.85 0.46 1.10 0.20 0.00 0.00 0.00 175.76 178.36 1dby s GLY 4 N -2.12 1.64 -0.13 0.00 0.00 0.44 -4.85 107.32 102.31 1dby s GLY 4 Ca 0.45 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.38 1dby s GLY 4 CO 0.20 0.66 -0.13 0.00 0.00 0.00 0.00 173.10 173.82 1dby s ALA 5 N -2.78 1.70 0.25 3.20 0.00 -1.26 -0.36 121.76 122.51 1dby s ALA 5 Ca 0.64 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.89 1dby s ALA 5 Cb -0.20 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1dby s ALA 5 CO 0.58 -0.26 -0.06 0.14 0.00 0.00 0.00 175.76 176.15 1dby s VAL 6 N 1.32 1.50 0.24 0.00 -7.23 -0.05 -4.91 120.40 111.27 1dby s VAL 6 Ca 0.00 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 57.96 1dby s VAL 6 Cb -0.14 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1dby s VAL 6 CO -0.07 -0.37 0.41 0.20 -0.31 0.00 0.00 175.10 174.96 1dby s ASN 7 N -3.38 0.01 -1.26 4.85 -0.87 -1.26 -2.96 114.94 110.08 1dby s ASN 7 Ca 0.27 -1.05 -0.19 0.00 -1.57 0.00 0.00 52.86 50.32 1dby s ASN 7 Cb 0.03 0.55 0.03 0.00 -0.02 0.00 0.00 41.25 41.84 1dby s ASN 7 CO 0.10 -1.09 1.78 1.51 -2.57 0.00 0.00 177.10 176.83 1dby s ASP 8 N -3.06 6.35 0.00 -1.22 -4.77 -1.26 -0.78 116.67 111.93 1dby s ASP 8 Ca 0.26 -2.20 0.00 0.00 -3.30 0.00 0.00 52.55 47.31 1dby s ASP 8 Cb 0.01 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1dby s ASP 8 CO 0.10 -1.68 0.00 -0.67 0.70 0.00 0.00 175.17 173.62 1dby n ASP 9 N 9.99 0.00 -0.34 2.11 2.03 -1.26 -4.96 116.55 124.13 1dby n ASP 9 Ca 0.47 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.91 1dby n ASP 9 Cb 0.46 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.20 1dby n ASP 9 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dby h THR 10 N 0.00 0.73 -0.90 5.18 1.35 -1.83 0.07 112.91 117.51 1dby h THR 10 Ca 0.00 -0.26 0.25 0.00 -0.55 0.00 0.00 66.41 65.85 1dby h THR 10 Cb 0.00 -0.09 -0.16 0.00 -1.73 0.00 0.00 68.15 66.18 1dby h THR 10 CO 0.00 0.14 0.14 0.15 -0.25 0.00 0.00 175.52 175.70 1dby h PHE 11 N 0.75 0.16 -0.14 4.73 3.04 -1.32 0.12 116.94 124.30 1dby h PHE 11 Ca 0.55 0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.61 1dby h PHE 11 Cb 0.88 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.41 1dby h PHE 11 CO -0.00 -0.31 -0.17 0.87 -2.02 0.00 0.00 178.31 176.68 1dby h LYS 12 N 0.11 -0.20 0.12 1.11 1.57 -1.22 0.31 116.57 118.37 1dby h LYS 12 Ca 0.56 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.35 1dby h LYS 12 Cb 1.14 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1dby h LYS 12 CO -0.76 -0.13 -0.06 -0.91 -0.57 0.00 0.00 179.45 177.02 1dby h ASN 13 N -0.21 -0.14 -0.17 0.86 -0.26 -1.16 0.41 115.58 114.91 1dby h ASN 13 Ca 0.10 -0.38 -0.05 0.00 -0.56 0.00 0.00 56.30 55.40 1dby h ASN 13 Cb 0.35 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1dby h ASN 13 CO -0.26 0.35 -0.10 0.58 -1.06 0.00 0.00 177.43 176.95 1dby h VAL 14 N -0.68 1.32 0.00 2.81 2.07 -0.79 -3.22 116.25 117.75 1dby h VAL 14 Ca -0.02 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1dby h VAL 14 Cb 0.51 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1dby h VAL 14 CO 0.03 0.35 -0.57 0.52 0.02 0.00 0.00 177.57 177.91 1dby n VAL 15 N -4.59 1.25 0.20 2.57 0.31 0.11 -4.37 118.33 113.81 1dby n VAL 15 Ca -0.05 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 1dby n VAL 15 Cb 0.32 -2.26 -0.07 0.00 -0.91 0.00 0.00 33.84 30.92 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 -0.87 -0.47 -3.40 7.52 3.38 -1.10 -3.17 115.31 117.21 1dby h LEU 16 Ca 0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1dby h LEU 16 Cb 0.57 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1dby h LEU 16 CO 0.00 -0.07 -0.14 -0.62 0.09 0.00 0.00 178.44 177.70 1dby n GLU 17 N -5.18 1.35 -1.43 1.13 1.02 0.10 -2.88 120.64 114.74 1dby n GLU 17 Ca -0.10 -0.37 -0.12 0.00 -0.02 0.00 0.00 57.16 56.56 1dby n GLU 17 Cb 0.29 -1.38 0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dby n SER 18 N 1.89 0.53 0.00 1.62 2.88 -1.20 -4.81 113.62 114.53 1dby n SER 18 Ca 0.16 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.21 1dby n SER 18 Cb 0.64 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1dby n SER 18 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dby n SER 19 N -3.04 0.00 -4.85 -3.46 3.41 -1.26 -4.75 113.62 99.66 1dby n SER 19 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 1dby n SER 19 Cb 0.28 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.67 4.50 0.91 -3.33 -7.23 -1.26 -4.41 120.40 108.92 1dby s VAL 20 Ca 0.00 0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 60.95 1dby s VAL 20 Cb 0.00 -3.73 0.10 0.00 0.56 0.00 0.00 36.38 33.31 1dby s VAL 20 CO 0.00 -0.99 0.89 -2.65 -0.31 0.00 0.00 175.10 172.04 1dby n PRO 21 N -2.60 -0.30 -3.80 4.82 -0.02 -1.26 -4.73 135.00 127.11 1dby n PRO 21 Ca 0.07 -0.03 -0.25 0.00 -2.02 0.00 0.00 63.50 61.27 1dby n PRO 21 Cb 0.54 -2.20 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.47 0.58 -0.60 -1.45 1.01 0.59 -0.31 120.40 117.75 1dby s VAL 22 Ca 0.64 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 1dby s VAL 22 Cb -0.24 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1dby s VAL 22 CO 0.60 0.19 1.02 -0.22 0.00 0.00 0.00 175.10 176.70 1dby s LEU 23 N 1.88 3.95 -0.32 3.92 0.20 0.37 -0.82 118.68 127.85 1dby s LEU 23 Ca 0.04 -0.40 -0.13 0.00 0.69 0.00 0.00 54.13 54.33 1dby s LEU 23 Cb -0.13 -2.78 -0.03 0.00 -0.43 0.00 0.00 46.19 42.82 1dby s LEU 23 CO -0.06 -1.37 0.25 -0.69 -0.29 0.00 0.00 176.35 174.18 1dby s VAL 24 N 4.32 5.27 -0.42 1.68 1.01 0.67 -0.01 120.40 132.93 1dby s VAL 24 Ca 0.31 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1dby s VAL 24 Cb -0.12 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1dby s VAL 24 CO 0.18 0.06 0.47 -0.62 0.00 0.00 0.00 175.10 175.19 1dby s ASP 25 N 1.73 6.21 -0.44 3.32 2.15 0.40 -0.34 116.67 129.71 1dby s ASP 25 Ca 0.07 -0.64 -0.29 0.00 0.43 0.00 0.00 52.55 52.13 1dby s ASP 25 Cb -0.17 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 1dby s ASP 25 CO 0.11 -0.61 1.20 -0.36 -0.17 0.00 0.00 175.17 175.33 1dby s PHE 26 N 2.23 2.76 0.20 -5.34 0.40 0.16 -0.25 117.98 118.14 1dby s PHE 26 Ca 0.13 0.76 0.01 0.00 -0.60 0.00 0.00 56.93 57.23 1dby s PHE 26 Cb -0.17 -4.32 -0.00 0.00 0.51 0.00 0.00 43.02 39.04 1dby s PHE 26 CO 0.14 -1.39 0.04 -2.67 0.70 0.00 0.00 175.22 172.05 1dby n TRP 27 N 7.94 0.24 -3.59 0.36 4.27 -0.01 -2.93 117.44 123.73 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 -0.06 -0.05 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 -2.47 -1.96 0.32 -1.67 0.00 -1.26 -0.32 121.76 114.40 1dby s ALA 28 Ca 0.06 1.64 0.05 0.00 0.00 0.00 0.00 51.96 53.71 1dby s ALA 28 Cb 0.00 -0.86 0.68 0.00 0.00 0.00 0.00 23.12 22.94 1dby s ALA 28 CO 0.04 -0.29 1.87 -1.00 0.00 0.00 0.00 175.76 176.38 1dby h PRO 29 N 2.60 0.83 0.00 0.00 0.13 -2.00 -0.58 132.00 132.98 1dby h PRO 29 Ca -0.18 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1dby h PRO 29 Cb 1.17 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1dby h PRO 29 CO 0.29 0.55 0.00 -2.67 -0.23 0.00 0.00 178.00 175.94 1dby n TRP 30 N -4.57 0.42 -2.45 1.56 4.27 -1.26 -4.71 117.44 110.70 1dby n TRP 30 Ca 0.17 0.14 -0.41 0.00 -3.89 0.00 0.00 57.50 53.51 1dby n TRP 30 Cb 0.37 -0.72 -0.03 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 13.63 -1.66 0.66 0.00 0.00 -1.86 0.43 103.07 114.28 1dby h GLY 32 Ca -0.27 0.91 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1dby h GLY 32 CO 1.26 -0.46 0.27 -2.55 0.00 0.00 0.00 176.54 175.06 1dby h PRO 33 N -0.07 0.50 -0.33 4.80 0.11 -1.92 -2.49 132.00 132.60 1dby h PRO 33 Ca 0.07 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.22 1dby h PRO 33 Cb 0.25 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.18 1dby h PRO 33 CO -0.43 0.33 -0.11 0.00 -0.21 0.00 0.00 178.00 177.58 1dby h ARG 35 N -0.04 0.12 0.00 0.00 2.47 -0.52 0.22 114.38 116.63 1dby h ARG 35 Ca 0.16 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.74 1dby h ARG 35 Cb 0.29 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1dby h ARG 35 CO -0.36 0.08 -0.62 -0.84 0.56 0.00 0.00 179.97 178.78 1dby h ILE 36 N 0.13 1.38 0.00 2.04 -0.00 -0.95 -3.05 117.51 117.06 1dby h ILE 36 Ca 0.13 -2.19 -0.10 0.00 -0.00 0.00 0.00 64.86 62.70 1dby h ILE 36 Cb 0.16 2.20 -0.02 0.00 -0.00 0.00 0.00 36.82 39.16 1dby h ILE 36 CO -0.20 0.61 -0.60 0.16 -0.00 0.00 0.00 178.15 178.13 1dby h ILE 37 N 0.00 0.71 -0.96 0.16 3.07 -0.62 -3.39 117.51 116.49 1dby h ILE 37 Ca -0.01 -2.05 0.22 0.00 1.55 0.00 0.00 64.86 64.58 1dby h ILE 37 Cb 1.15 2.31 -0.18 0.00 -0.27 0.00 0.00 36.82 39.83 1dby h ILE 37 CO 0.08 0.41 -0.13 0.00 -1.05 0.00 0.00 178.15 177.45 1dby n ALA 38 N -2.24 0.33 -0.28 0.16 0.00 0.74 0.40 120.51 119.62 1dby n ALA 38 Ca 0.01 1.04 -0.06 0.00 0.00 0.00 0.00 53.44 54.43 1dby n ALA 38 Cb 0.73 -0.68 0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 1.11 -0.03 0.00 0.11 -1.78 -0.44 132.00 130.98 1dby h PRO 39 Ca 0.51 -0.17 -0.00 0.00 0.11 0.00 0.00 66.00 66.45 1dby h PRO 39 Cb 0.90 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1dby h PRO 39 CO -0.95 0.87 0.01 0.28 -0.21 0.00 0.00 178.00 178.00 1dby h VAL 40 N 1.08 1.11 -0.72 3.15 2.07 -0.32 0.54 116.25 123.16 1dby h VAL 40 Ca 0.26 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1dby h VAL 40 Cb 0.13 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1dby h VAL 40 CO -0.03 0.09 0.34 0.58 0.02 0.00 0.00 177.57 178.56 1dby h VAL 41 N -0.08 0.79 0.53 2.57 2.07 -0.46 0.03 116.25 121.69 1dby h VAL 41 Ca 0.01 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1dby h VAL 41 Cb 0.13 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1dby h VAL 41 CO -0.00 0.10 -0.25 -0.78 0.02 0.00 0.00 177.57 176.66 1dby h ASP 42 N 0.55 -0.60 -0.59 0.57 3.58 -0.51 -3.23 116.42 116.19 1dby h ASP 42 Ca 0.37 0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.93 1dby h ASP 42 Cb 0.45 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 1dby h ASP 42 CO -0.31 -0.38 0.40 1.05 -2.88 0.00 0.00 179.24 177.12 1dby h GLU 43 N -0.82 0.42 -0.96 0.28 4.11 -0.77 0.70 114.58 117.55 1dby h GLU 43 Ca -0.07 -0.03 0.22 0.00 0.07 0.00 0.00 59.36 59.55 1dby h GLU 43 Cb 0.54 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1dby h GLU 43 CO 0.12 0.28 0.62 0.82 0.07 0.00 0.00 179.01 180.92 1dby h ILE 44 N 0.43 0.64 -0.91 -1.06 2.04 -1.01 0.26 117.51 117.90 1dby h ILE 44 Ca 0.27 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1dby h ILE 44 Cb 0.50 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1dby h ILE 44 CO -0.08 0.08 0.58 0.00 0.00 0.00 0.00 178.15 178.74 1dby h ALA 45 N 1.61 1.60 -0.15 1.87 0.00 -0.87 -0.96 119.26 122.36 1dby h ALA 45 Ca 0.52 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.28 1dby h ALA 45 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1dby h ALA 45 CO -0.23 0.22 -0.44 0.78 0.00 0.00 0.00 179.25 179.58 1dby h GLY 46 N 0.93 0.61 0.59 0.00 0.00 -0.64 -2.08 103.07 102.47 1dby h GLY 46 Ca 0.42 -0.79 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1dby h GLY 46 CO -0.18 0.71 -0.15 0.83 0.00 0.00 0.00 176.54 177.75 1dby h GLU 47 N 0.19 -0.22 -0.74 4.80 5.08 -0.51 -3.10 114.58 120.08 1dby h GLU 47 Ca -0.01 0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1dby h GLU 47 Cb 1.06 0.05 -0.25 0.00 0.50 0.00 0.00 28.75 30.11 1dby h GLU 47 CO 0.09 -0.15 0.23 0.66 -1.00 0.00 0.00 179.01 178.84 1dby n TYR 48 N -5.29 2.38 -0.65 4.33 4.01 -0.46 -5.03 117.16 116.46 1dby n TYR 48 Ca -0.05 -2.13 -0.31 0.00 -0.16 0.00 0.00 57.90 55.26 1dby n TYR 48 Cb 0.20 -0.83 0.18 0.00 -0.31 0.00 0.00 39.34 38.59 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1dby n LYS 49 N -1.02 -0.83 0.00 -0.72 2.85 -0.78 -1.76 118.16 115.90 1dby n LYS 49 Ca 0.49 -0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1dby n LYS 49 Cb 1.09 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1dby n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dby n ASP 50 N -3.94 0.00 0.08 -5.58 2.03 -1.26 -4.27 116.55 103.61 1dby n ASP 50 Ca 0.09 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.32 1dby n ASP 50 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 1dby n ASP 50 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1dby h LYS 51 N 0.00 0.11 -4.38 -0.67 2.10 -1.98 -3.46 116.57 108.29 1dby h LYS 51 Ca 0.00 -0.14 -0.22 0.00 -2.00 0.00 0.00 60.65 58.28 1dby h LYS 51 Cb 0.00 0.05 -0.20 0.00 -0.90 0.00 0.00 32.23 31.18 1dby h LYS 51 CO 0.00 0.98 -0.71 -1.17 -2.00 0.00 0.00 179.45 176.54 1dby s LEU 52 N -7.11 2.31 0.12 7.07 2.96 -0.72 -4.23 118.68 119.06 1dby s LEU 52 Ca -0.01 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1dby s LEU 52 Cb 0.10 -0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.71 1dby s LEU 52 CO 0.83 -0.30 0.09 -0.75 -1.32 0.00 0.00 176.35 174.89 1dby s LYS 53 N -2.06 2.83 -0.00 1.98 2.36 0.57 -4.28 119.74 121.14 1dby s LYS 53 Ca -0.07 -0.79 0.03 0.00 -2.55 0.00 0.00 55.97 52.58 1dby s LYS 53 Cb -0.06 -2.66 -0.01 0.00 -1.05 0.00 0.00 37.83 34.05 1dby s LYS 53 CO -0.02 0.53 -0.09 0.00 1.55 0.00 0.00 175.35 177.32 1dby s VAL 55 N -0.26 0.00 -0.05 0.00 -7.23 0.98 -0.42 120.40 113.43 1dby s VAL 55 Ca 0.03 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 1dby s VAL 55 Cb -0.04 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1dby s VAL 55 CO -0.00 0.00 0.11 -1.59 -0.31 0.00 0.00 175.10 173.31 1dby s LYS 56 N -3.00 0.09 -0.29 4.82 -2.85 0.52 -0.45 119.74 118.58 1dby s LYS 56 Ca 0.21 0.24 -0.11 0.00 -1.00 0.00 0.00 55.97 55.31 1dby s LYS 56 Cb -0.03 -0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.62 1dby s LYS 56 CO 0.14 -0.10 0.21 -1.17 0.10 0.00 0.00 175.35 174.53 1dby s LEU 57 N 0.65 4.09 -0.56 2.77 1.98 0.66 -0.88 118.68 127.39 1dby s LEU 57 Ca -0.05 -0.05 -0.28 0.00 -2.89 0.00 0.00 54.13 50.86 1dby s LEU 57 Cb -0.07 -2.14 0.00 0.00 0.66 0.00 0.00 46.19 44.65 1dby s LEU 57 CO -0.03 -0.08 1.55 0.21 -1.89 0.00 0.00 176.35 176.10 1dby s ASN 58 N 1.75 5.91 0.39 3.68 3.84 -1.15 -0.83 114.94 128.53 1dby s ASN 58 Ca 0.07 0.35 0.14 0.00 0.21 0.00 0.00 52.86 53.63 1dby s ASN 58 Cb -0.16 -2.54 0.79 0.00 -0.55 0.00 0.00 41.25 38.79 1dby s ASN 58 CO 0.11 -1.87 1.86 0.74 -2.79 0.00 0.00 177.10 175.14 1dby h THR 59 N 6.51 1.21 -0.44 -5.21 2.02 -0.91 0.31 112.91 116.39 1dby h THR 59 Ca -0.27 -1.16 -0.09 0.00 0.77 0.00 0.00 66.41 65.65 1dby h THR 59 Cb 1.11 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1dby h THR 59 CO 1.18 0.33 -0.09 -0.78 0.37 0.00 0.00 175.52 176.53 1dby h ASP 60 N 0.00 0.84 0.71 4.18 1.82 -1.89 -0.60 116.42 121.48 1dby h ASP 60 Ca -0.00 -0.35 -0.26 0.00 -0.39 0.00 0.00 57.03 56.03 1dby h ASP 60 Cb 0.61 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 1dby h ASP 60 CO 0.04 1.00 -1.33 -0.08 -1.61 0.00 0.00 179.24 177.26 1dby h GLU 61 N 0.67 0.07 -2.20 0.28 4.57 -1.87 -3.39 114.58 112.71 1dby h GLU 61 Ca 0.11 -0.12 -0.56 0.00 -1.18 0.00 0.00 59.36 57.61 1dby h GLU 61 Cb 0.62 0.05 -0.41 0.00 -0.16 0.00 0.00 28.75 28.84 1dby h GLU 61 CO 0.04 0.90 -0.80 0.43 -1.18 0.00 0.00 179.01 178.40 1dby n SER 62 N -3.30 3.42 0.00 1.04 7.64 0.11 -4.86 113.62 117.67 1dby n SER 62 Ca -0.09 -3.49 -0.04 0.00 1.01 0.00 0.00 58.87 56.26 1dby n SER 62 Cb 1.00 -0.58 0.19 0.00 -1.01 0.00 0.00 64.21 63.81 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 3.00 0.51 0.00 1.43 0.13 -1.31 -3.30 132.00 132.46 1dby h PRO 63 Ca 0.12 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1dby h PRO 63 Cb 0.64 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1dby h PRO 63 CO 0.73 0.72 0.00 0.09 -0.23 0.00 0.00 178.00 179.31 1dby n ASN 64 N -4.12 0.00 -0.21 1.44 3.02 -1.26 0.20 115.26 114.33 1dby n ASN 64 Ca -0.00 0.81 -0.01 0.00 -0.03 0.00 0.00 54.58 55.34 1dby n ASN 64 Cb 0.41 -0.34 0.10 0.00 -0.61 0.00 0.00 39.78 39.34 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dby h VAL 65 N 0.00 0.89 -0.96 2.41 2.07 -1.98 0.14 116.25 118.81 1dby h VAL 65 Ca 0.00 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.43 1dby h VAL 65 Cb 0.00 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 29.98 1dby h VAL 65 CO 0.00 0.10 0.61 0.00 0.02 0.00 0.00 177.57 178.31 1dby h ALA 66 N 1.37 1.55 -0.17 1.67 0.00 -1.46 0.14 119.26 122.36 1dby h ALA 66 Ca 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1dby h ALA 66 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1dby h ALA 66 CO -0.23 0.24 -0.36 0.77 0.00 0.00 0.00 179.25 179.68 1dby h SER 67 N 0.98 0.61 -0.88 0.00 0.02 0.13 0.17 113.55 114.59 1dby h SER 67 Ca 0.45 -0.56 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1dby h SER 67 Cb 0.40 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 1dby h SER 67 CO -0.21 1.05 0.54 -0.33 -1.14 0.00 0.00 176.83 176.75 1dby h GLU 68 N 0.19 0.94 0.05 3.45 4.39 -0.23 -2.01 114.58 121.37 1dby h GLU 68 Ca 0.00 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.42 1dby h GLU 68 Cb 0.96 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1dby h GLU 68 CO 0.08 0.62 -1.04 1.88 -1.16 0.00 0.00 179.01 179.39 1dby h TYR 69 N 0.97 0.36 -0.18 4.33 0.05 -0.95 -3.49 116.97 118.06 1dby h TYR 69 Ca 0.40 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1dby h TYR 69 Cb 0.23 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1dby h TYR 69 CO -0.03 1.12 0.00 0.41 -1.05 0.00 0.00 178.16 178.60 1dby n GLY 70 N 1.21 0.63 3.61 3.88 0.00 0.39 -5.05 105.19 109.86 1dby n GLY 70 Ca -0.05 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.44 4.23 0.13 -0.61 1.01 0.01 -4.90 121.20 119.63 1dby s ILE 71 Ca 0.00 1.32 0.09 0.00 0.00 0.00 0.00 60.65 62.06 1dby s ILE 71 Cb 0.00 -4.44 -0.15 0.00 0.01 0.00 0.00 42.46 37.88 1dby s ILE 71 CO 0.00 -0.76 1.37 0.08 0.00 0.00 0.00 174.94 175.62 1dby h ARG 72 N 9.15 0.00 -2.44 2.79 -0.00 -1.97 -3.46 114.38 118.46 1dby h ARG 72 Ca -0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.72 1dby h ARG 72 Cb 1.07 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 30.88 1dby h ARG 72 CO 1.08 0.88 0.23 -1.12 -0.00 0.00 0.00 179.97 181.05 1dby s SER 73 N -6.71 -0.59 0.20 0.08 0.01 -1.26 -5.18 113.70 100.25 1dby s SER 73 Ca 0.01 0.34 0.07 0.00 1.31 0.00 0.00 55.95 57.68 1dby s SER 73 Cb 0.10 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 1dby s SER 73 CO 0.80 -0.76 0.08 0.27 0.41 0.00 0.00 173.24 174.04 1dby s ILE 74 N -2.43 4.06 0.85 1.44 -4.36 -1.26 -4.51 121.20 114.98 1dby s ILE 74 Ca -0.04 -1.38 -0.11 0.00 -0.26 0.00 0.00 60.65 58.86 1dby s ILE 74 Cb -0.01 -3.10 0.10 0.00 1.25 0.00 0.00 42.46 40.71 1dby s ILE 74 CO -0.02 -0.19 1.10 -2.16 0.24 0.00 0.00 174.94 173.91 1dby s PRO 75 N -3.27 1.60 -0.29 0.37 0.04 -1.26 -4.91 135.00 127.27 1dby s PRO 75 Ca 0.30 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1dby s PRO 75 Cb -0.09 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.82 1dby s PRO 75 CO 0.21 -2.12 0.55 0.99 0.04 0.00 0.00 177.00 176.68 1dby s THR 76 N -2.82 -0.92 0.02 1.26 2.01 -1.15 -3.85 115.64 110.18 1dby s THR 76 Ca 0.63 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.34 1dby s THR 76 Cb -0.19 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1dby s THR 76 CO 0.57 -0.05 0.72 0.27 -0.69 0.00 0.00 174.62 175.44 1dby s ILE 77 N 2.78 4.82 0.17 1.82 -4.36 0.63 -0.67 121.20 126.39 1dby s ILE 77 Ca 0.12 1.53 0.11 0.00 -0.26 0.00 0.00 60.65 62.14 1dby s ILE 77 Cb -0.11 -4.07 -0.04 0.00 1.25 0.00 0.00 42.46 39.49 1dby s ILE 77 CO -0.26 0.35 -0.23 -0.04 0.24 0.00 0.00 174.94 175.01 1dby s MET 78 N 0.07 1.43 -0.22 0.37 -1.94 0.54 -0.76 119.30 118.80 1dby s MET 78 Ca 0.37 -1.45 -0.01 0.00 -1.71 0.00 0.00 55.69 52.89 1dby s MET 78 Cb -0.20 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 34.93 1dby s MET 78 CO 0.21 0.38 -0.12 0.08 -0.01 0.00 0.00 175.02 175.56 1dby s VAL 79 N -1.59 2.60 0.21 -6.03 1.01 -0.13 -0.23 120.40 116.23 1dby s VAL 79 Ca 0.18 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1dby s VAL 79 Cb -0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1dby s VAL 79 CO 0.08 0.36 -0.02 -0.36 0.00 0.00 0.00 175.10 175.17 1dby s PHE 80 N 1.33 2.76 -0.08 5.22 0.08 0.00 -0.08 117.98 127.20 1dby s PHE 80 Ca 0.03 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 1dby s PHE 80 Cb -0.15 -1.30 0.11 0.00 -0.57 0.00 0.00 43.02 41.11 1dby s PHE 80 CO -0.08 0.55 0.91 -1.59 -0.10 0.00 0.00 175.22 174.91 1dby s LYS 81 N -3.17 0.75 -1.46 0.44 0.00 0.15 -0.30 119.74 116.16 1dby s LYS 81 Ca 0.28 -0.01 -0.14 0.00 0.00 0.00 0.00 55.97 56.09 1dby s LYS 81 Cb -0.08 0.35 0.12 0.00 0.00 0.00 0.00 37.83 38.22 1dby s LYS 81 CO 0.18 -0.27 0.62 0.41 0.00 0.00 0.00 175.35 176.29 1dby n GLY 82 N 0.38 -0.46 2.47 0.59 0.00 -1.26 -0.40 105.19 106.50 1dby n GLY 82 Ca -0.11 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.23 1.55 3.20 -0.02 0.00 -1.14 -4.98 105.19 102.57 1dby n GLY 83 Ca 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.47 1.02 0.33 1.61 -0.14 0.46 -4.97 119.74 114.58 1dby s LYS 84 Ca 0.00 -1.41 -0.06 0.00 -1.36 0.00 0.00 55.97 53.14 1dby s LYS 84 Cb 0.00 0.27 -0.05 0.00 -1.68 0.00 0.00 37.83 36.37 1dby s LYS 84 CO 0.00 -0.31 0.62 0.21 -0.76 0.00 0.00 175.35 175.11 1dby s LYS 85 N -4.05 3.66 -0.04 1.68 2.20 -1.26 -0.67 119.74 121.25 1dby s LYS 85 Ca 0.25 0.12 -0.08 0.00 -0.36 0.00 0.00 55.97 55.90 1dby s LYS 85 Cb 0.06 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.79 1dby s LYS 85 CO 0.03 0.12 -0.15 0.00 -0.36 0.00 0.00 175.35 174.99 1dby s GLU 87 N -2.14 2.25 -0.01 0.00 4.04 -1.23 -5.02 118.70 116.59 1dby s GLU 87 Ca -0.12 -1.49 -0.23 0.00 0.04 0.00 0.00 54.97 53.17 1dby s GLU 87 Cb 0.02 0.62 0.05 0.00 0.02 0.00 0.00 34.13 34.83 1dby s GLU 87 CO 0.18 -1.05 0.51 -0.08 -1.84 0.00 0.00 175.26 172.98 1dby s THR 88 N -2.24 0.03 0.06 1.83 -1.32 -1.26 -0.95 115.64 111.79 1dby s THR 88 Ca 0.17 -0.24 -0.09 0.00 -1.21 0.00 0.00 61.69 60.32 1dby s THR 88 Cb -0.05 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1dby s THR 88 CO 0.12 -0.13 0.19 -0.63 -2.21 0.00 0.00 174.62 171.97 1dby s ILE 89 N -1.61 0.13 -0.37 5.08 -1.09 0.06 -4.99 121.20 118.42 1dby s ILE 89 Ca -0.10 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.00 1dby s ILE 89 Cb -0.02 -1.11 0.02 0.00 -1.58 0.00 0.00 42.46 39.77 1dby s ILE 89 CO 0.05 -0.57 1.12 -0.63 -1.23 0.00 0.00 174.94 173.68 1dby s ILE 90 N -3.18 4.38 -0.57 2.92 1.01 -1.26 -0.26 121.20 124.24 1dby s ILE 90 Ca -0.00 1.54 0.11 0.00 0.00 0.00 0.00 60.65 62.30 1dby s ILE 90 Cb 0.02 -4.45 0.11 0.00 0.01 0.00 0.00 42.46 38.15 1dby s ILE 90 CO -0.07 -0.64 1.34 0.61 0.00 0.00 0.00 174.94 176.18 1dby n GLY 91 N 4.21 -0.69 2.77 6.18 0.00 -1.25 -4.29 105.19 112.13 1dby n GLY 91 Ca 0.12 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.64 4.25 -2.57 4.61 0.00 -1.26 -4.79 120.51 119.11 1dby n ALA 92 Ca -0.01 -2.43 -0.09 0.00 0.00 0.00 0.00 53.44 50.91 1dby n ALA 92 Cb 0.02 -3.21 -0.09 0.00 0.00 0.00 0.00 19.45 16.18 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 3.92 0.15 0.80 0.00 -7.23 -1.26 -5.15 120.40 111.63 1dby s VAL 93 Ca 0.45 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 59.24 1dby s VAL 93 Cb 0.11 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 36.00 1dby s VAL 93 CO 0.01 -0.68 1.09 -2.65 -0.31 0.00 0.00 175.10 172.56 1dby n PRO 94 N 0.44 0.22 -0.19 4.82 -0.02 -1.26 -4.67 135.00 134.33 1dby n PRO 94 Ca -0.17 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.43 1dby n PRO 94 Cb 0.60 -2.34 0.04 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.80 -0.08 -0.42 -0.52 3.64 -1.99 0.62 116.57 117.03 1dby h LYS 95 Ca -0.46 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1dby h LYS 95 Cb 1.31 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 1dby h LYS 95 CO 0.45 -0.06 -0.21 0.00 -2.27 0.00 0.00 179.45 177.37 1dby h ALA 96 N 1.32 0.10 -0.37 5.00 0.00 -1.99 0.12 119.26 123.43 1dby h ALA 96 Ca 0.26 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1dby h ALA 96 Cb 0.50 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1dby h ALA 96 CO -0.64 -0.57 0.23 1.15 0.00 0.00 0.00 179.25 179.42 1dby h THR 97 N -0.13 1.06 -0.14 0.00 2.02 -1.34 -0.18 112.91 114.20 1dby h THR 97 Ca 0.20 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1dby h THR 97 Cb 0.44 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1dby h THR 97 CO -0.50 0.09 -0.16 0.40 0.37 0.00 0.00 175.52 175.71 1dby h ILE 98 N 0.47 0.57 0.43 3.11 1.08 0.15 0.15 117.51 123.47 1dby h ILE 98 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1dby h ILE 98 Cb -0.02 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 1dby h ILE 98 CO -0.05 0.00 -0.39 0.58 -0.69 0.00 0.00 178.15 177.60 1dby h VAL 99 N -0.20 0.21 -0.48 1.67 2.07 -0.41 0.06 116.25 119.17 1dby h VAL 99 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1dby h VAL 99 Cb 0.34 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1dby h VAL 99 CO -0.26 0.00 0.08 1.56 0.02 0.00 0.00 177.57 178.97 1dby h GLN 100 N -0.83 0.20 -0.34 1.57 1.08 -0.81 0.54 115.11 116.51 1dby h GLN 100 Ca -0.04 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1dby h GLN 100 Cb 0.73 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.06 1dby h GLN 100 CO -0.04 0.13 -0.02 1.15 -0.95 0.00 0.00 178.83 179.10 1dby h THR 101 N 0.21 0.72 0.48 -0.54 2.02 -0.39 0.17 112.91 115.58 1dby h THR 101 Ca 0.24 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1dby h THR 101 Cb 0.33 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1dby h THR 101 CO -0.34 0.01 -0.23 0.58 0.37 0.00 0.00 175.52 175.91 1dby h VAL 102 N 0.07 0.51 -0.52 3.16 2.07 -0.14 -3.24 116.25 118.15 1dby h VAL 102 Ca 0.17 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1dby h VAL 102 Cb 0.24 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 1dby h VAL 102 CO -0.30 0.02 0.01 -0.33 0.02 0.00 0.00 177.57 176.99 1dby h GLU 103 N -0.73 0.12 -0.05 1.57 4.39 -0.48 0.07 114.58 119.46 1dby h GLU 103 Ca -0.07 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1dby h GLU 103 Cb 0.54 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1dby h GLU 103 CO 0.11 0.08 0.12 1.57 -1.16 0.00 0.00 179.01 179.73 1dby h LYS 104 N 0.12 0.00 -0.47 2.33 2.10 -1.00 0.28 116.57 119.93 1dby h LYS 104 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1dby h LYS 104 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1dby h LYS 104 CO -0.44 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.67 1dby n TYR 105 N -3.35 0.62 0.06 0.07 4.01 0.01 -4.46 117.16 114.11 1dby n TYR 105 Ca -0.02 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1dby n TYR 105 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1dby n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dby n LEU 106 N 0.96 0.31 0.00 7.72 4.77 0.52 -5.11 117.00 126.17 1dby n LEU 106 Ca 0.17 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1dby n LEU 106 Cb 0.43 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1dby n LEU 106 CO 0.12 -0.58 0.00 -3.20 -1.33 0.00 0.00 177.39 172.40