#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby s GLU 2 N 0.00 3.06 -1.04 2.12 -1.05 -1.26 -4.06 118.70 116.48 1dby s GLU 2 Ca 0.00 0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 55.30 1dby s GLU 2 Cb 0.00 -2.03 -0.08 0.00 -0.44 0.00 0.00 34.13 31.58 1dby s GLU 2 CO 0.00 -0.93 2.11 0.00 0.95 0.00 0.00 175.26 177.39 1dby n ALA 3 N -2.97 4.45 -1.77 -0.84 0.00 -1.25 -4.55 120.51 113.59 1dby n ALA 3 Ca 0.07 -3.24 -0.40 0.00 0.00 0.00 0.00 53.44 49.86 1dby n ALA 3 Cb 0.55 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.51 1dby n ALA 3 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dby s GLY 4 N 4.04 2.98 -0.95 0.00 0.00 -1.26 -4.71 107.32 107.43 1dby s GLY 4 Ca 0.52 1.24 -0.24 0.00 0.00 0.00 0.00 44.72 46.25 1dby s GLY 4 CO 0.02 1.87 1.39 0.00 0.00 0.00 0.00 173.10 176.38 1dby s ALA 5 N -1.18 2.76 0.62 3.20 0.00 -1.26 -1.65 121.76 124.25 1dby s ALA 5 Ca 0.51 -2.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.29 1dby s ALA 5 Cb -0.39 -4.43 -0.02 0.00 0.00 0.00 0.00 23.12 18.28 1dby s ALA 5 CO 0.51 -3.50 1.00 0.14 0.00 0.00 0.00 175.76 173.92 1dby s VAL 6 N 5.00 4.26 0.36 0.00 -7.23 0.53 -4.92 120.40 118.40 1dby s VAL 6 Ca 0.42 0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 61.02 1dby s VAL 6 Cb -0.02 -3.71 0.05 0.00 0.56 0.00 0.00 36.38 33.26 1dby s VAL 6 CO -0.04 -0.87 0.72 0.59 -0.31 0.00 0.00 175.10 175.18 1dby n ASN 7 N -2.73 -2.08 -0.36 4.85 4.13 -1.26 -2.41 115.26 115.38 1dby n ASN 7 Ca 0.05 -2.44 -0.05 0.00 1.68 0.00 0.00 54.58 53.83 1dby n ASN 7 Cb 0.55 3.47 -0.02 0.00 -1.54 0.00 0.00 39.78 42.25 1dby n ASN 7 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1dby n ASP 8 N -1.48 -0.75 0.00 6.41 -0.08 -1.26 -0.44 116.55 118.94 1dby n ASP 8 Ca -0.08 1.61 0.00 0.00 -1.51 0.00 0.00 54.79 54.81 1dby n ASP 8 Cb 0.54 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.69 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1dby n ASP 9 N -5.26 0.00 -0.29 1.67 2.03 -1.26 -3.72 116.55 109.72 1dby n ASP 9 Ca 0.06 0.90 0.09 0.00 0.52 0.00 0.00 54.79 56.36 1dby n ASP 9 Cb 0.31 -0.42 0.25 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.56 -1.00 5.18 1.35 -1.86 -2.18 112.91 114.96 1dby h THR 10 Ca 0.00 -0.15 0.19 0.00 -0.55 0.00 0.00 66.41 65.90 1dby h THR 10 Cb 0.00 0.09 -0.18 0.00 -1.73 0.00 0.00 68.15 66.33 1dby h THR 10 CO 0.00 0.08 -0.28 0.33 -0.25 0.00 0.00 175.52 175.40 1dby n PHE 11 N -5.02 0.29 -0.16 4.73 7.35 0.41 -0.39 117.46 124.68 1dby n PHE 11 Ca 0.19 1.22 -0.03 0.00 -0.76 0.00 0.00 57.45 58.06 1dby n PHE 11 Cb 0.54 -1.04 0.03 0.00 0.35 0.00 0.00 39.48 39.36 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 -0.03 0.01 -4.13 1.79 -1.48 0.27 116.57 113.00 1dby h LYS 12 Ca 0.45 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1dby h LYS 12 Cb 0.70 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1dby h LYS 12 CO -1.02 -0.02 -0.01 -0.91 -1.08 0.00 0.00 179.45 176.42 1dby h ASN 13 N -0.03 -0.02 0.49 0.86 4.21 -1.24 -0.41 115.58 119.45 1dby h ASN 13 Ca 0.24 -0.30 -0.16 0.00 1.21 0.00 0.00 56.30 57.29 1dby h ASN 13 Cb 0.39 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 1dby h ASN 13 CO -0.52 0.63 -0.68 0.58 -1.29 0.00 0.00 177.43 176.14 1dby h VAL 14 N -1.00 1.44 0.00 2.81 2.07 -0.70 -3.32 116.25 117.55 1dby h VAL 14 Ca -0.00 -2.21 -0.14 0.00 0.82 0.00 0.00 66.70 65.17 1dby h VAL 14 Cb 0.32 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1dby h VAL 14 CO 0.00 0.64 -1.31 0.52 0.02 0.00 0.00 177.57 177.45 1dby n VAL 15 N -3.79 0.77 0.00 2.57 0.31 0.72 -4.71 118.33 114.20 1dby n VAL 15 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1dby n VAL 15 Cb 0.67 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1dby n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1dby n LEU 16 N -3.57 0.61 -1.86 7.52 4.77 0.05 -4.17 117.00 120.34 1dby n LEU 16 Ca -0.17 0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 56.23 1dby n LEU 16 Cb 0.54 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 1dby n LEU 16 CO 0.03 -0.35 1.42 -0.62 -1.33 0.00 0.00 177.39 176.54 1dby n GLU 17 N -1.55 1.68 -3.34 3.23 -0.58 -0.17 -0.41 120.64 119.50 1dby n GLU 17 Ca 0.00 -0.70 -0.31 0.00 -0.42 0.00 0.00 57.16 55.73 1dby n GLU 17 Cb 0.00 -1.70 -0.05 0.00 -0.57 0.00 0.00 31.44 29.12 1dby n GLU 17 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1dby s SER 18 N 2.01 6.59 -0.10 1.62 0.01 -1.25 -4.87 113.70 117.72 1dby s SER 18 Ca 0.47 0.92 -0.10 0.00 1.31 0.00 0.00 55.95 58.54 1dby s SER 18 Cb 0.22 -2.23 -0.08 0.00 0.21 0.00 0.00 66.02 64.14 1dby s SER 18 CO 0.00 -0.13 0.31 0.77 0.41 0.00 0.00 173.24 174.59 1dby h SER 19 N 2.24 -0.05 -4.09 2.44 4.64 -1.91 -3.36 113.55 113.46 1dby h SER 19 Ca -0.47 -0.28 -0.46 0.00 -0.47 0.00 0.00 61.79 60.12 1dby h SER 19 Cb 1.18 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1dby h SER 19 CO 0.68 0.58 0.36 0.68 -0.87 0.00 0.00 176.83 178.25 1dby s VAL 20 N -1.99 4.23 0.78 0.95 -7.23 -1.26 -4.79 120.40 111.08 1dby s VAL 20 Ca -0.06 1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 61.31 1dby s VAL 20 Cb -0.01 -3.57 0.06 0.00 0.56 0.00 0.00 36.38 33.42 1dby s VAL 20 CO 0.23 -0.37 1.08 -2.16 -0.31 0.00 0.00 175.10 173.57 1dby s PRO 21 N -3.39 2.27 -0.15 4.82 0.04 -1.26 -4.78 135.00 132.56 1dby s PRO 21 Ca 0.63 0.84 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 1dby s PRO 21 Cb -0.11 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1dby s PRO 21 CO 0.19 -1.54 0.37 0.14 0.04 0.00 0.00 177.00 176.19 1dby s VAL 22 N -3.05 -0.02 -0.62 -0.36 -7.23 0.20 -3.42 120.40 105.91 1dby s VAL 22 Ca 0.60 0.06 -0.18 0.00 -1.81 0.00 0.00 61.98 60.65 1dby s VAL 22 Cb -0.15 -0.53 0.11 0.00 0.56 0.00 0.00 36.38 36.37 1dby s VAL 22 CO 0.55 0.02 0.71 -0.22 -0.31 0.00 0.00 175.10 175.86 1dby s LEU 23 N 0.85 5.50 -0.20 1.32 0.20 -1.11 -0.86 118.68 124.38 1dby s LEU 23 Ca -0.05 -1.55 -0.15 0.00 0.69 0.00 0.00 54.13 53.07 1dby s LEU 23 Cb -0.06 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 1dby s LEU 23 CO -0.06 -1.07 0.37 0.54 -0.29 0.00 0.00 176.35 175.84 1dby s VAL 24 N 2.49 5.22 -0.25 1.68 0.11 0.25 -0.17 120.40 129.74 1dby s VAL 24 Ca 0.12 0.66 -0.16 0.00 -2.93 0.00 0.00 61.98 59.67 1dby s VAL 24 Cb -0.23 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1dby s VAL 24 CO 0.05 0.28 0.42 -0.62 -3.33 0.00 0.00 175.10 171.89 1dby s ASP 25 N 0.97 6.36 -0.52 3.54 2.15 -0.21 -1.16 116.67 127.80 1dby s ASP 25 Ca 0.18 0.42 -0.29 0.00 0.43 0.00 0.00 52.55 53.30 1dby s ASP 25 Cb -0.14 -2.24 0.03 0.00 -0.30 0.00 0.00 42.92 40.27 1dby s ASP 25 CO 0.07 -0.18 1.19 -0.36 -0.17 0.00 0.00 175.17 175.72 1dby s PHE 26 N 1.92 2.68 0.14 -5.34 0.40 0.12 -0.68 117.98 117.22 1dby s PHE 26 Ca 0.18 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 57.09 1dby s PHE 26 Cb -0.15 -4.47 -0.00 0.00 0.51 0.00 0.00 43.02 38.91 1dby s PHE 26 CO 0.09 -1.48 0.02 -2.67 0.70 0.00 0.00 175.22 171.88 1dby n TRP 27 N 8.24 0.23 -3.58 0.36 4.27 -0.01 -3.82 117.44 123.12 1dby n TRP 27 Ca 0.11 -0.77 -0.08 0.00 -3.89 0.00 0.00 57.50 52.87 1dby n TRP 27 Cb 0.49 -0.06 -0.04 0.00 -1.36 0.00 0.00 31.31 30.34 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 -2.29 -1.98 0.29 -1.67 0.00 -1.26 -0.44 121.76 114.41 1dby s ALA 28 Ca 0.03 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1dby s ALA 28 Cb 0.00 -0.69 0.62 0.00 0.00 0.00 0.00 23.12 23.06 1dby s ALA 28 CO 0.02 -0.37 1.81 -1.00 0.00 0.00 0.00 175.76 176.22 1dby h PRO 29 N 2.33 0.88 0.00 0.00 0.13 -2.00 0.98 132.00 134.31 1dby h PRO 29 Ca -0.15 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1dby h PRO 29 Cb 1.18 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1dby h PRO 29 CO 0.28 0.58 0.00 -2.67 -0.23 0.00 0.00 178.00 175.96 1dby n TRP 30 N -4.68 0.39 -2.26 1.56 4.27 -1.26 -4.60 117.44 110.87 1dby n TRP 30 Ca 0.21 0.14 -0.33 0.00 -3.89 0.00 0.00 57.50 53.63 1dby n TRP 30 Cb 0.44 -0.73 -0.04 0.00 -1.36 0.00 0.00 31.31 29.62 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby n GLY 32 N 6.45 -1.73 0.20 0.00 0.00 -1.26 -0.32 105.19 108.53 1dby n GLY 32 Ca 0.40 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.83 1dby n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dby h PRO 33 N 0.00 0.61 -0.50 1.61 0.13 -1.96 -1.97 132.00 129.91 1dby h PRO 33 Ca 0.03 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1dby h PRO 33 Cb 0.08 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.03 1dby h PRO 33 CO -0.19 0.40 0.23 0.00 -0.23 0.00 0.00 178.00 178.21 1dby h ARG 35 N 0.44 -0.10 -0.33 0.00 2.43 -0.14 0.37 114.38 117.04 1dby h ARG 35 Ca 0.23 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1dby h ARG 35 Cb 0.19 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1dby h ARG 35 CO -0.19 -0.07 -0.29 -0.84 -1.51 0.00 0.00 179.97 177.07 1dby h ILE 36 N -0.11 1.28 0.00 1.20 3.07 -1.05 -2.88 117.51 119.02 1dby h ILE 36 Ca 0.06 -1.41 -0.10 0.00 1.55 0.00 0.00 64.86 64.96 1dby h ILE 36 Cb 0.19 1.34 -0.01 0.00 -0.27 0.00 0.00 36.82 38.06 1dby h ILE 36 CO -0.13 0.46 -0.46 0.16 -1.05 0.00 0.00 178.15 177.13 1dby h ILE 37 N 0.60 0.88 -0.95 0.16 3.07 -0.97 -3.38 117.51 116.91 1dby h ILE 37 Ca 0.07 -1.96 0.28 0.00 1.55 0.00 0.00 64.86 64.80 1dby h ILE 37 Cb 0.79 2.23 -0.18 0.00 -0.27 0.00 0.00 36.82 39.40 1dby h ILE 37 CO 0.07 0.45 0.08 0.00 -1.05 0.00 0.00 178.15 177.69 1dby n ALA 38 N -2.25 0.54 -0.17 0.16 0.00 0.13 0.13 120.51 119.05 1dby n ALA 38 Ca 0.01 1.01 -0.05 0.00 0.00 0.00 0.00 53.44 54.41 1dby n ALA 38 Cb 0.65 -0.77 0.12 0.00 0.00 0.00 0.00 19.45 19.45 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 0.94 -0.34 0.00 0.11 -1.76 0.73 132.00 131.69 1dby h PRO 39 Ca 0.60 -0.23 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 1dby h PRO 39 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1dby h PRO 39 CO -0.87 0.87 -0.43 -0.24 -0.21 0.00 0.00 178.00 177.11 1dby h VAL 40 N 0.89 1.28 0.03 3.15 3.04 -0.57 0.83 116.25 124.91 1dby h VAL 40 Ca 0.18 -1.61 0.01 0.00 -1.01 0.00 0.00 66.70 64.27 1dby h VAL 40 Cb 0.38 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1dby h VAL 40 CO 0.01 0.53 -0.06 0.58 -1.01 0.00 0.00 177.57 177.62 1dby h VAL 41 N 0.69 0.86 0.15 1.51 2.07 -0.34 -1.75 116.25 119.43 1dby h VAL 41 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1dby h VAL 41 Cb 1.02 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1dby h VAL 41 CO 0.10 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 178.02 1dby h ASP 42 N -0.12 -0.29 -0.82 0.57 3.32 -0.65 -0.12 116.42 118.31 1dby h ASP 42 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1dby h ASP 42 Cb 0.13 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1dby h ASP 42 CO -0.04 -0.18 0.52 1.05 -1.72 0.00 0.00 179.24 178.87 1dby h GLU 43 N -0.27 1.10 -0.56 3.56 4.11 -0.75 0.27 114.58 122.03 1dby h GLU 43 Ca -0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1dby h GLU 43 Cb 0.24 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1dby h GLU 43 CO -0.01 0.75 0.33 0.82 0.07 0.00 0.00 179.01 180.97 1dby h ILE 44 N 1.12 1.17 -0.90 -1.06 1.08 -1.14 0.11 117.51 117.90 1dby h ILE 44 Ca 0.30 -0.41 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1dby h ILE 44 Cb -0.09 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.04 1dby h ILE 44 CO -0.06 0.18 0.59 0.00 -0.69 0.00 0.00 178.15 178.17 1dby h ALA 45 N 1.16 1.49 0.36 1.87 0.00 0.42 -1.04 119.26 123.52 1dby h ALA 45 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dby h ALA 45 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1dby h ALA 45 CO -0.04 0.38 -0.18 0.78 0.00 0.00 0.00 179.25 180.20 1dby h GLY 46 N 1.05 -0.51 -0.08 0.00 0.00 0.68 0.23 103.07 104.43 1dby h GLY 46 Ca 0.38 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1dby h GLY 46 CO -0.14 -0.19 -0.31 0.83 0.00 0.00 0.00 176.54 176.73 1dby h GLU 47 N -0.49 -0.26 -0.87 4.80 4.39 -0.06 -2.32 114.58 119.77 1dby h GLU 47 Ca -0.05 0.02 -0.51 0.00 0.34 0.00 0.00 59.36 59.16 1dby h GLU 47 Cb 0.38 0.06 -0.28 0.00 -0.10 0.00 0.00 28.75 28.81 1dby h GLU 47 CO 0.08 -0.18 0.49 0.66 -1.16 0.00 0.00 179.01 178.91 1dby n TYR 48 N -5.41 2.75 -0.23 4.33 4.02 -0.47 -4.64 117.16 117.51 1dby n TYR 48 Ca 0.00 -2.19 0.03 0.00 -0.01 0.00 0.00 57.90 55.73 1dby n TYR 48 Cb 0.33 -0.98 0.15 0.00 -0.02 0.00 0.00 39.34 38.82 1dby n TYR 48 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1dby h LYS 49 N 1.38 0.36 -0.67 -0.72 2.10 0.05 -0.20 116.57 118.87 1dby h LYS 49 Ca 0.54 -0.02 0.13 0.00 -2.00 0.00 0.00 60.65 59.30 1dby h LYS 49 Cb 1.95 -0.08 -0.12 0.00 -0.90 0.00 0.00 32.23 33.08 1dby h LYS 49 CO 1.10 0.24 -0.18 -0.40 -2.00 0.00 0.00 179.45 178.21 1dby n ASP 50 N -5.05 -0.27 0.18 7.07 5.75 -1.26 -0.16 116.55 122.81 1dby n ASP 50 Ca 0.12 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 56.05 1dby n ASP 50 Cb 0.36 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1dby n ASP 50 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1dby n LYS 51 N -5.07 0.00 -1.82 0.11 5.02 -0.79 -4.63 118.16 110.98 1dby n LYS 51 Ca 0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 1dby n LYS 51 Cb 0.32 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.54 1dby n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1dby s LEU 52 N -6.78 2.45 -0.91 -0.35 2.96 -0.24 -0.59 118.68 115.22 1dby s LEU 52 Ca 0.00 0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.91 1dby s LEU 52 Cb 0.00 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1dby s LEU 52 CO 0.00 -3.05 1.65 -1.59 -1.32 0.00 0.00 176.35 172.05 1dby s LYS 53 N -5.87 3.07 -0.21 1.98 0.00 -1.22 0.73 119.74 118.22 1dby s LYS 53 Ca 0.75 -0.55 -0.08 0.00 0.00 0.00 0.00 55.97 56.10 1dby s LYS 53 Cb -0.04 -5.03 0.09 0.00 0.00 0.00 0.00 37.83 32.86 1dby s LYS 53 CO 0.54 -2.69 0.44 0.00 0.00 0.00 0.00 175.35 173.65 1dby s VAL 55 N 2.53 0.00 -0.15 0.00 -7.23 0.77 -3.76 120.40 112.56 1dby s VAL 55 Ca -0.03 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1dby s VAL 55 Cb -0.12 -2.34 0.07 0.00 0.56 0.00 0.00 36.38 34.55 1dby s VAL 55 CO -0.13 0.00 0.17 -0.54 -0.31 0.00 0.00 175.10 174.29 1dby s LYS 56 N -3.77 0.10 -0.29 4.82 1.02 -0.66 -1.05 119.74 119.92 1dby s LYS 56 Ca 0.25 0.31 -0.19 0.00 0.02 0.00 0.00 55.97 56.36 1dby s LYS 56 Cb -0.00 -0.92 -0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1dby s LYS 56 CO 0.11 -0.51 0.57 -1.17 -0.92 0.00 0.00 175.35 173.43 1dby s LEU 57 N 2.28 4.12 -0.48 3.17 2.96 0.14 -0.35 118.68 130.52 1dby s LEU 57 Ca 0.04 0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 54.11 1dby s LEU 57 Cb -0.14 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.82 1dby s LEU 57 CO -0.09 -0.39 1.57 0.21 -1.32 0.00 0.00 176.35 176.33 1dby s ASN 58 N 1.60 5.99 0.21 3.68 3.84 -1.01 -0.83 114.94 128.41 1dby s ASN 58 Ca 0.23 0.65 -0.09 0.00 0.21 0.00 0.00 52.86 53.85 1dby s ASN 58 Cb -0.15 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.17 1dby s ASN 58 CO 0.11 -1.75 1.84 0.74 -2.79 0.00 0.00 177.10 175.24 1dby h THR 59 N 6.58 1.23 -0.28 -5.21 2.02 -1.03 0.26 112.91 116.48 1dby h THR 59 Ca -0.28 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1dby h THR 59 Cb 1.12 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1dby h THR 59 CO 1.13 0.26 -0.10 -0.78 0.37 0.00 0.00 175.52 176.39 1dby h ASP 60 N 1.09 0.44 1.00 4.18 3.58 -1.89 0.33 116.42 125.15 1dby h ASP 60 Ca 0.28 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1dby h ASP 60 Cb 0.02 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1dby h ASP 60 CO -0.05 0.58 -0.54 -0.08 -2.88 0.00 0.00 179.24 176.28 1dby h GLU 61 N 0.43 0.00 -2.02 0.28 4.81 -1.77 -3.39 114.58 112.93 1dby h GLU 61 Ca 0.08 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.79 1dby h GLU 61 Cb 0.45 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.43 1dby h GLU 61 CO 0.02 0.00 -1.12 0.43 -0.73 0.00 0.00 179.01 177.61 1dby n SER 62 N -2.20 0.81 0.21 1.04 7.64 0.85 -4.70 113.62 117.27 1dby n SER 62 Ca 0.03 -2.92 0.07 0.00 1.01 0.00 0.00 58.87 57.06 1dby n SER 62 Cb 0.45 -0.63 0.45 0.00 -1.01 0.00 0.00 64.21 63.47 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 3.44 0.00 0.00 1.43 0.13 -1.16 -3.19 132.00 132.64 1dby h PRO 63 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1dby h PRO 63 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1dby h PRO 63 CO 0.51 0.30 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1dby n ASN 64 N -3.73 0.00 -0.14 1.44 4.13 -1.26 -0.05 115.26 115.65 1dby n ASN 64 Ca -0.01 0.97 -0.04 0.00 1.68 0.00 0.00 54.58 57.18 1dby n ASN 64 Cb 0.40 -0.47 0.02 0.00 -1.54 0.00 0.00 39.78 38.19 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 0.56 -0.61 2.41 2.07 -1.97 0.13 116.25 118.84 1dby h VAL 65 Ca 0.00 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1dby h VAL 65 Cb 0.00 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1dby h VAL 65 CO 0.00 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.81 1dby h ALA 66 N 1.44 0.79 -0.37 1.67 0.00 -1.50 -0.87 119.26 120.41 1dby h ALA 66 Ca 0.21 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1dby h ALA 66 Cb 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1dby h ALA 66 CO -0.45 -0.21 -0.25 0.77 0.00 0.00 0.00 179.25 179.11 1dby h SER 67 N 0.39 0.87 -0.83 0.00 0.02 0.10 0.26 113.55 114.36 1dby h SER 67 Ca 0.31 -0.43 0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1dby h SER 67 Cb 0.40 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1dby h SER 67 CO -0.32 1.11 0.49 -0.33 -1.14 0.00 0.00 176.83 176.64 1dby h GLU 68 N 0.63 0.83 0.05 3.45 5.08 -0.12 -1.65 114.58 122.84 1dby h GLU 68 Ca 0.08 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1dby h GLU 68 Cb 0.81 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1dby h GLU 68 CO 0.07 0.55 -1.05 1.88 -1.00 0.00 0.00 179.01 179.45 1dby h TYR 69 N 0.86 0.30 -0.18 4.33 0.05 -1.05 -3.48 116.97 117.79 1dby h TYR 69 Ca 0.38 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1dby h TYR 69 Cb 0.28 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1dby h TYR 69 CO -0.05 1.10 0.00 0.41 -1.05 0.00 0.00 178.16 178.58 1dby n GLY 70 N 1.26 1.19 3.59 3.88 0.00 0.69 -5.03 105.19 110.77 1dby n GLY 70 Ca -0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.18 3.79 0.04 -0.61 1.01 0.15 -4.87 121.20 118.53 1dby s ILE 71 Ca 0.00 0.75 0.13 0.00 0.00 0.00 0.00 60.65 61.52 1dby s ILE 71 Cb 0.00 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1dby s ILE 71 CO 0.00 -0.88 1.46 -0.09 0.00 0.00 0.00 174.94 175.44 1dby h ARG 72 N 11.30 0.00 -3.21 2.79 2.43 -1.96 -3.44 114.38 122.29 1dby h ARG 72 Ca -0.28 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 1dby h ARG 72 Cb 1.11 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 1dby h ARG 72 CO 1.12 0.65 0.00 -1.12 -1.51 0.00 0.00 179.97 179.11 1dby s SER 73 N -6.58 -0.34 0.22 -3.80 0.01 -1.26 -5.18 113.70 96.78 1dby s SER 73 Ca 0.02 -0.17 0.10 0.00 1.31 0.00 0.00 55.95 57.20 1dby s SER 73 Cb 0.09 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 1dby s SER 73 CO 0.76 -0.85 -0.09 0.27 0.41 0.00 0.00 173.24 173.74 1dby s ILE 74 N -3.55 3.13 0.83 1.44 -4.36 -1.26 -4.62 121.20 112.82 1dby s ILE 74 Ca 0.01 -1.86 -0.11 0.00 -0.26 0.00 0.00 60.65 58.44 1dby s ILE 74 Cb 0.01 -2.60 0.09 0.00 1.25 0.00 0.00 42.46 41.21 1dby s ILE 74 CO -0.10 -0.23 1.10 -2.16 0.24 0.00 0.00 174.94 173.78 1dby s PRO 75 N -3.17 1.75 -0.29 0.37 0.04 -1.26 -5.03 135.00 127.41 1dby s PRO 75 Ca 0.27 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 1dby s PRO 75 Cb -0.07 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.73 1dby s PRO 75 CO 0.16 -1.98 0.69 0.99 0.04 0.00 0.00 177.00 176.91 1dby s THR 76 N -2.88 -0.50 -0.32 1.26 2.01 -1.25 -4.15 115.64 109.82 1dby s THR 76 Ca 0.63 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1dby s THR 76 Cb -0.18 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.40 1dby s THR 76 CO 0.57 0.00 0.02 -0.63 -0.69 0.00 0.00 174.62 173.88 1dby s ILE 77 N 2.26 2.69 -0.16 1.82 1.01 0.59 -0.71 121.20 128.71 1dby s ILE 77 Ca -0.08 -1.75 -0.07 0.00 0.00 0.00 0.00 60.65 58.75 1dby s ILE 77 Cb -0.08 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1dby s ILE 77 CO -0.19 -0.28 0.06 -0.04 0.00 0.00 0.00 174.94 174.48 1dby s MET 78 N 1.13 3.81 -0.40 2.79 -1.94 -0.31 -0.38 119.30 124.00 1dby s MET 78 Ca -0.01 -0.33 -0.14 0.00 -1.71 0.00 0.00 55.69 53.50 1dby s MET 78 Cb -0.20 -3.16 0.02 0.00 2.01 0.00 0.00 34.83 33.50 1dby s MET 78 CO -0.04 0.37 0.28 0.08 -0.01 0.00 0.00 175.02 175.70 1dby s VAL 79 N 0.09 5.15 0.08 -6.03 1.01 -0.06 -0.58 120.40 120.06 1dby s VAL 79 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1dby s VAL 79 Cb -0.12 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1dby s VAL 79 CO 0.01 -0.27 0.44 -0.36 0.00 0.00 0.00 175.10 174.92 1dby s PHE 80 N 1.66 3.62 -0.33 5.22 0.40 -0.04 -0.19 117.98 128.33 1dby s PHE 80 Ca 0.05 0.91 0.17 0.00 -0.60 0.00 0.00 56.93 57.45 1dby s PHE 80 Cb -0.19 -2.24 0.45 0.00 0.51 0.00 0.00 43.02 41.55 1dby s PHE 80 CO 0.10 0.53 0.95 0.36 0.70 0.00 0.00 175.22 177.85 1dby n LYS 81 N 1.10 1.26 0.00 0.44 0.00 -0.67 -0.63 118.16 119.66 1dby n LYS 81 Ca -0.09 -3.33 0.00 0.00 -0.00 0.00 0.00 58.31 54.89 1dby n LYS 81 Cb 0.52 -1.32 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 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 -0.06 0.74 5.00 2.58 0.00 -1.25 -4.75 105.19 107.45 1dby n GLY 82 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 1.29 3.89 -0.02 0.00 0.45 -4.87 105.19 105.92 1dby n GLY 83 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 3.11 0.28 1.61 -0.14 -1.26 -4.87 119.74 118.47 1dby s LYS 84 Ca 0.00 0.40 -0.10 0.00 -1.36 0.00 0.00 55.97 54.91 1dby s LYS 84 Cb 0.00 -2.12 -0.07 0.00 -1.68 0.00 0.00 37.83 33.95 1dby s LYS 84 CO 0.00 -0.77 0.62 0.15 -0.76 0.00 0.00 175.35 174.59 1dby s LYS 85 N -5.18 3.82 -0.08 1.68 1.02 -1.26 -1.66 119.74 118.07 1dby s LYS 85 Ca 0.55 0.34 -0.09 0.00 0.02 0.00 0.00 55.97 56.80 1dby s LYS 85 Cb -0.11 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1dby s LYS 85 CO 0.50 0.22 -0.19 0.00 -0.92 0.00 0.00 175.35 174.97 1dby s GLU 87 N -2.43 1.43 -0.35 0.00 0.41 -1.18 -4.99 118.70 111.58 1dby s GLU 87 Ca -0.17 -1.63 0.04 0.00 -0.41 0.00 0.00 54.97 52.80 1dby s GLU 87 Cb 0.04 -1.34 0.16 0.00 -1.78 0.00 0.00 34.13 31.21 1dby s GLU 87 CO 0.24 0.24 0.45 0.99 -0.49 0.00 0.00 175.26 176.69 1dby s THR 88 N -2.73 -0.60 0.02 3.63 2.01 -1.26 -0.88 115.64 115.83 1dby s THR 88 Ca 0.24 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1dby s THR 88 Cb -0.03 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 1dby s THR 88 CO 0.09 -0.34 0.10 -0.63 -0.69 0.00 0.00 174.62 173.15 1dby s ILE 89 N 1.89 4.81 0.46 1.82 1.01 0.49 -4.93 121.20 126.75 1dby s ILE 89 Ca 0.14 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 1dby s ILE 89 Cb -0.12 -3.24 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 1dby s ILE 89 CO -0.13 0.28 0.96 -0.63 0.00 0.00 0.00 174.94 175.43 1dby s ILE 90 N -1.28 4.44 0.00 2.92 1.09 -1.26 -0.30 121.20 126.81 1dby s ILE 90 Ca 0.26 1.40 0.00 0.00 -1.10 0.00 0.00 60.65 61.21 1dby s ILE 90 Cb -0.12 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1dby s ILE 90 CO 0.17 -0.44 0.00 0.61 -0.10 0.00 0.00 174.94 175.18 1dby n GLY 91 N -0.95 -1.33 3.56 6.18 0.00 -1.26 -4.64 105.19 106.76 1dby n GLY 91 Ca 0.07 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.77 -2.54 4.61 0.00 -1.26 -5.03 120.51 111.51 1dby n ALA 92 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1dby n ALA 92 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 19.45 15.99 1dby n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dby s VAL 93 N -3.39 1.34 0.29 0.00 1.01 -1.26 -5.13 120.40 113.25 1dby s VAL 93 Ca 0.21 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 1dby s VAL 93 Cb -0.10 -1.45 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 1dby s VAL 93 CO 0.75 -0.33 1.20 -2.84 0.00 0.00 0.00 175.10 173.87 1dby s PRO 94 N -2.39 4.51 0.57 2.72 0.02 -1.26 -4.90 135.00 134.26 1dby s PRO 94 Ca 0.07 1.98 0.36 0.00 0.02 0.00 0.00 61.00 63.43 1dby s PRO 94 Cb -0.07 -3.15 1.66 0.00 0.02 0.00 0.00 34.50 32.96 1dby s PRO 94 CO 0.03 0.01 2.08 -0.22 -0.33 0.00 0.00 177.00 178.57 1dby h LYS 95 N 3.88 0.00 -0.30 5.54 3.64 -1.98 -1.95 116.57 125.40 1dby h LYS 95 Ca -0.47 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1dby h LYS 95 Cb 1.22 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1dby h LYS 95 CO 0.68 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.79 1dby h ALA 96 N 2.01 0.20 -0.36 5.00 0.00 -1.99 0.23 119.26 124.35 1dby h ALA 96 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dby h ALA 96 Cb 0.35 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1dby h ALA 96 CO 0.00 -0.46 0.08 1.15 0.00 0.00 0.00 179.25 180.02 1dby h THR 97 N 0.01 0.83 -0.16 0.00 2.02 -1.74 -1.27 112.91 112.59 1dby h THR 97 Ca 0.14 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1dby h THR 97 Cb 0.21 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1dby h THR 97 CO -0.30 0.04 0.05 0.40 0.37 0.00 0.00 175.52 176.08 1dby h ILE 98 N 0.21 0.96 0.18 3.11 2.04 -1.19 0.21 117.51 123.02 1dby h ILE 98 Ca 0.17 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1dby h ILE 98 Cb 0.19 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1dby h ILE 98 CO -0.21 0.02 -0.38 0.58 0.00 0.00 0.00 178.15 178.16 1dby h VAL 99 N 0.13 0.22 -0.67 1.67 2.07 -0.15 0.96 116.25 120.48 1dby h VAL 99 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1dby h VAL 99 Cb 0.04 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 29.95 1dby h VAL 99 CO -0.07 0.00 0.21 1.56 0.02 0.00 0.00 177.57 179.29 1dby h GLN 100 N -0.65 0.34 -0.30 1.57 1.08 -0.98 0.20 115.11 116.37 1dby h GLN 100 Ca 0.01 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1dby h GLN 100 Cb 0.65 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1dby h GLN 100 CO -0.19 0.23 0.18 1.15 -0.95 0.00 0.00 178.83 179.25 1dby h THR 101 N 0.35 1.09 0.01 -0.54 2.02 -0.09 -1.96 112.91 113.79 1dby h THR 101 Ca 0.36 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.27 1dby h THR 101 Cb 0.53 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1dby h THR 101 CO -0.40 0.09 -0.25 0.58 0.37 0.00 0.00 175.52 175.91 1dby h VAL 102 N 0.41 1.58 -0.77 3.16 2.07 0.17 -3.36 116.25 119.52 1dby h VAL 102 Ca 0.11 -2.05 0.17 0.00 0.82 0.00 0.00 66.70 65.75 1dby h VAL 102 Cb -0.01 2.90 -0.11 0.00 -1.52 0.00 0.00 31.29 32.55 1dby h VAL 102 CO -0.02 0.56 0.23 -0.33 0.02 0.00 0.00 177.57 178.03 1dby h GLU 103 N -0.57 0.31 -0.47 1.57 4.39 -0.25 0.30 114.58 119.86 1dby h GLU 103 Ca -0.04 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.78 1dby h GLU 103 Cb 1.05 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1dby h GLU 103 CO 0.05 0.20 0.41 1.57 -1.16 0.00 0.00 179.01 180.08 1dby h LYS 104 N 0.32 0.00 0.00 2.33 2.10 -1.51 0.84 116.57 120.64 1dby h LYS 104 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1dby h LYS 104 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1dby h LYS 104 CO -0.50 0.00 -1.16 0.66 -2.00 0.00 0.00 179.45 176.45 1dby n TYR 105 N -4.01 0.03 -3.13 0.07 4.01 0.93 -4.85 117.16 110.20 1dby n TYR 105 Ca 0.09 0.01 -0.04 0.00 -0.16 0.00 0.00 57.90 57.79 1dby n TYR 105 Cb 0.61 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 1dby n TYR 105 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1dby s LEU 106 N -3.37 -1.18 0.00 7.72 1.98 0.27 -5.12 118.68 118.98 1dby s LEU 106 Ca 0.05 -1.22 0.00 0.00 -2.89 0.00 0.00 54.13 50.06 1dby s LEU 106 Cb 0.16 1.64 0.00 0.00 0.66 0.00 0.00 46.19 48.65 1dby s LEU 106 CO 0.86 -0.15 0.00 -3.20 -1.89 0.00 0.00 176.35 171.97