#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 0.70 -6.63 2.12 4.39 -1.96 -3.40 114.58 109.80 1dby h GLU 2 Ca 0.00 -0.24 -0.51 0.00 0.34 0.00 0.00 59.36 58.95 1dby h GLU 2 Cb 0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1dby h GLU 2 CO 0.00 0.81 0.41 0.00 -1.16 0.00 0.00 179.01 179.08 1dby s ALA 3 N -4.93 3.31 0.90 3.43 0.00 -1.26 -4.76 121.76 118.46 1dby s ALA 3 Ca -0.13 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1dby s ALA 3 Cb 0.10 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 20.09 1dby s ALA 3 CO 0.80 -0.09 1.12 0.41 0.00 0.00 0.00 175.76 178.00 1dby n GLY 4 N 2.07 -0.72 3.23 0.00 0.00 -0.17 -4.88 105.19 104.72 1dby n GLY 4 Ca 0.02 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.68 1.90 0.18 4.61 0.00 -1.26 -0.69 121.76 122.83 1dby s ALA 5 Ca 0.67 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1dby s ALA 5 Cb -0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1dby s ALA 5 CO 0.46 0.41 0.01 0.14 0.00 0.00 0.00 175.76 176.78 1dby s VAL 6 N -0.31 0.66 0.20 0.00 -7.23 0.09 -4.85 120.40 108.95 1dby s VAL 6 Ca 0.02 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1dby s VAL 6 Cb -0.11 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1dby s VAL 6 CO 0.01 -0.43 0.23 0.21 -0.31 0.00 0.00 175.10 174.82 1dby s ASN 7 N -3.19 0.09 0.31 4.85 3.84 -1.26 -2.46 114.94 117.12 1dby s ASN 7 Ca 0.25 -1.17 0.04 0.00 0.21 0.00 0.00 52.86 52.19 1dby s ASN 7 Cb 0.06 0.43 0.83 0.00 -0.55 0.00 0.00 41.25 42.02 1dby s ASN 7 CO 0.05 -0.91 1.54 -0.67 -2.79 0.00 0.00 177.10 174.32 1dby n ASP 8 N -0.27 -0.05 0.00 -4.21 2.03 -1.26 -0.27 116.55 112.52 1dby n ASP 8 Ca -0.01 1.66 0.00 0.00 0.52 0.00 0.00 54.79 56.96 1dby n ASP 8 Cb 0.64 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1dby n ASP 9 N -5.43 0.00 0.02 1.67 2.03 -1.26 -3.54 116.55 110.04 1dby n ASP 9 Ca 0.25 0.96 0.05 0.00 0.52 0.00 0.00 54.79 56.57 1dby n ASP 9 Cb 0.83 -0.46 0.46 0.00 -0.72 0.00 0.00 41.12 41.23 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 1.07 -0.93 5.18 1.35 -1.76 -2.76 112.91 115.06 1dby h THR 10 Ca 0.00 -0.16 0.24 0.00 -0.55 0.00 0.00 66.41 65.94 1dby h THR 10 Cb 0.00 0.56 -0.17 0.00 -1.73 0.00 0.00 68.15 66.81 1dby h THR 10 CO 0.00 0.08 0.04 0.15 -0.25 0.00 0.00 175.52 175.54 1dby h PHE 11 N 0.47 -0.02 -0.69 4.73 3.57 -0.68 0.12 116.94 124.43 1dby h PHE 11 Ca 0.15 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.86 1dby h PHE 11 Cb 0.02 0.16 -0.12 0.00 2.79 0.00 0.00 35.95 38.79 1dby h PHE 11 CO -0.00 -0.37 -0.04 0.87 -2.23 0.00 0.00 178.31 176.54 1dby h LYS 12 N 0.05 0.08 0.00 1.11 1.79 -1.56 0.29 116.57 118.32 1dby h LYS 12 Ca 0.55 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 1dby h LYS 12 Cb 1.10 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1dby h LYS 12 CO -0.84 0.05 -0.08 -0.91 -1.08 0.00 0.00 179.45 176.59 1dby h ASN 13 N 0.08 0.00 0.10 0.86 -0.26 -1.08 0.79 115.58 116.07 1dby h ASN 13 Ca 0.36 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 56.04 1dby h ASN 13 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 1dby h ASN 13 CO -0.63 0.39 -0.19 0.58 -1.06 0.00 0.00 177.43 176.52 1dby h VAL 14 N -0.69 1.19 0.00 2.81 2.07 -0.85 -3.07 116.25 117.71 1dby h VAL 14 Ca 0.00 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1dby h VAL 14 Cb 0.08 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1dby h VAL 14 CO 0.00 0.27 -0.56 0.52 0.02 0.00 0.00 177.57 177.81 1dby n VAL 15 N -4.24 1.37 0.00 2.57 0.31 0.83 -4.62 118.33 114.55 1dby n VAL 15 Ca -0.01 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1dby n VAL 15 Cb 0.30 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 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 -4.01 0.16 -1.95 7.52 4.77 -0.16 -3.88 117.00 119.45 1dby n LEU 16 Ca -0.08 0.69 -0.10 0.00 -0.03 0.00 0.00 56.01 56.49 1dby n LEU 16 Cb 0.29 -0.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 1dby n LEU 16 CO 0.11 -0.45 1.46 -0.62 -1.33 0.00 0.00 177.39 176.56 1dby n GLU 17 N -1.85 1.74 -3.38 3.23 1.02 0.27 -1.03 120.64 120.64 1dby n GLU 17 Ca 0.00 -0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 56.02 1dby n GLU 17 Cb 0.00 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 29.54 1dby n GLU 17 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1dby s SER 18 N 2.05 6.70 -0.02 1.62 1.04 -1.16 -4.76 113.70 119.16 1dby s SER 18 Ca 0.53 0.99 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 1dby s SER 18 Cb 0.25 -2.25 -0.00 0.00 0.10 0.00 0.00 66.02 64.12 1dby s SER 18 CO 0.00 -0.02 -0.01 0.77 0.98 0.00 0.00 173.24 174.95 1dby h SER 19 N 2.85 0.00 -4.33 7.02 4.64 -1.89 -3.33 113.55 118.51 1dby h SER 19 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.34 1dby h SER 19 Cb 1.18 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1dby h SER 19 CO 0.68 0.12 0.41 0.68 -0.87 0.00 0.00 176.83 177.84 1dby s VAL 20 N -1.16 4.61 1.04 0.95 -7.23 -1.26 -4.59 120.40 112.76 1dby s VAL 20 Ca -0.01 0.92 -0.15 0.00 -1.81 0.00 0.00 61.98 60.93 1dby s VAL 20 Cb 0.00 -3.80 0.09 0.00 0.56 0.00 0.00 36.38 33.23 1dby s VAL 20 CO 0.02 -1.04 0.30 -2.65 -0.31 0.00 0.00 175.10 171.42 1dby n PRO 21 N -2.57 -1.03 -3.93 4.82 -0.02 -1.03 -4.50 135.00 126.74 1dby n PRO 21 Ca 0.06 -0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.17 1dby n PRO 21 Cb 0.54 -1.83 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 -2.34 0.09 -0.25 -1.45 1.01 0.86 -0.26 120.40 118.06 1dby s VAL 22 Ca 0.58 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1dby s VAL 22 Cb -0.17 -0.30 0.08 0.00 0.00 0.00 0.00 36.38 35.98 1dby s VAL 22 CO 0.66 -0.41 0.05 -0.22 0.00 0.00 0.00 175.10 175.18 1dby s LEU 23 N -1.28 1.93 -0.26 3.92 0.20 0.10 -0.68 118.68 122.62 1dby s LEU 23 Ca -0.14 -1.26 -0.11 0.00 0.69 0.00 0.00 54.13 53.32 1dby s LEU 23 Cb -0.08 -0.83 -0.05 0.00 -0.43 0.00 0.00 46.19 44.80 1dby s LEU 23 CO 0.00 -0.34 0.17 -0.69 -0.29 0.00 0.00 176.35 175.20 1dby s VAL 24 N 1.66 5.31 -0.31 1.68 1.01 0.38 -0.14 120.40 130.00 1dby s VAL 24 Ca 0.03 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1dby s VAL 24 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1dby s VAL 24 CO -0.15 0.31 0.31 -0.62 0.00 0.00 0.00 175.10 174.95 1dby s ASP 25 N 1.35 6.15 -0.42 3.32 2.15 0.38 -0.41 116.67 129.18 1dby s ASP 25 Ca 0.07 -0.06 -0.29 0.00 0.43 0.00 0.00 52.55 52.70 1dby s ASP 25 Cb -0.15 -2.18 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 1dby s ASP 25 CO 0.07 -0.22 1.14 -0.36 -0.17 0.00 0.00 175.17 175.64 1dby s PHE 26 N 1.94 2.88 0.32 -5.34 0.40 0.28 -0.57 117.98 117.89 1dby s PHE 26 Ca 0.11 0.86 0.02 0.00 -0.60 0.00 0.00 56.93 57.31 1dby s PHE 26 Cb -0.16 -4.19 -0.01 0.00 0.51 0.00 0.00 43.02 39.17 1dby s PHE 26 CO 0.11 -1.19 0.06 -2.67 0.70 0.00 0.00 175.22 172.23 1dby n TRP 27 N 7.61 0.41 -3.59 0.36 4.27 0.01 -3.50 117.44 123.01 1dby n TRP 27 Ca 0.12 -1.84 -0.09 0.00 -3.89 0.00 0.00 57.50 51.80 1dby n TRP 27 Cb 0.48 -0.10 -0.05 0.00 -1.36 0.00 0.00 31.31 30.28 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 -2.72 -1.96 0.22 -1.67 0.00 -1.26 -0.44 121.76 113.92 1dby s ALA 28 Ca 0.09 1.66 -0.08 0.00 0.00 0.00 0.00 51.96 53.63 1dby s ALA 28 Cb 0.00 -0.92 0.33 0.00 0.00 0.00 0.00 23.12 22.53 1dby s ALA 28 CO 0.06 -0.29 1.74 -1.00 0.00 0.00 0.00 175.76 176.28 1dby h PRO 29 N 2.76 0.42 0.00 0.00 0.13 -2.00 -0.18 132.00 133.13 1dby h PRO 29 Ca -0.19 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1dby h PRO 29 Cb 1.17 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1dby h PRO 29 CO 0.27 0.28 -0.02 0.11 -0.23 0.00 0.00 178.00 178.40 1dby h TRP 30 N 0.43 0.00 -0.83 1.56 5.08 -2.04 -3.39 115.95 116.75 1dby h TRP 30 Ca 0.34 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.80 1dby h TRP 30 Cb 0.44 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.53 1dby h TRP 30 CO -0.17 0.02 1.48 0.00 -1.28 0.00 0.00 178.44 178.50 1dby n GLY 32 N 6.22 -1.99 0.27 0.00 0.00 -1.26 -0.42 105.19 108.00 1dby n GLY 32 Ca 0.41 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 47.15 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 0.76 -0.48 1.61 0.13 -1.94 -1.84 132.00 130.25 1dby h PRO 33 Ca 0.08 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1dby h PRO 33 Cb 0.21 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.14 1dby h PRO 33 CO -0.48 0.50 0.31 0.00 -0.23 0.00 0.00 178.00 178.10 1dby h ARG 35 N 0.63 -0.37 0.00 0.00 2.43 -0.02 0.24 114.38 117.29 1dby h ARG 35 Ca 0.18 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1dby h ARG 35 Cb -0.05 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1dby h ARG 35 CO -0.05 -0.24 -0.47 -0.84 -1.51 0.00 0.00 179.97 176.86 1dby h ILE 36 N -0.38 1.31 -0.06 1.20 3.07 -1.18 -3.03 117.51 118.45 1dby h ILE 36 Ca 0.05 -1.63 -0.20 0.00 1.55 0.00 0.00 64.86 64.63 1dby h ILE 36 Cb 0.44 1.89 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1dby h ILE 36 CO -0.17 0.46 -0.80 0.40 -1.05 0.00 0.00 178.15 176.99 1dby h ILE 37 N 0.00 1.39 -0.98 0.16 2.04 -0.60 -3.38 117.51 116.14 1dby h ILE 37 Ca -0.00 -2.24 0.24 0.00 1.00 0.00 0.00 64.86 63.85 1dby h ILE 37 Cb 0.85 2.21 -0.18 0.00 -0.74 0.00 0.00 36.82 38.95 1dby h ILE 37 CO 0.06 0.67 -0.09 0.00 0.00 0.00 0.00 178.15 178.80 1dby h ALA 38 N 0.87 0.94 -0.60 1.87 0.00 -0.41 0.52 119.26 122.45 1dby h ALA 38 Ca -0.05 0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1dby h ALA 38 Cb 1.39 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 1dby h ALA 38 CO 0.14 -0.49 0.30 -1.35 0.00 0.00 0.00 179.25 177.85 1dby h PRO 39 N 0.01 0.85 -0.28 0.00 0.11 -1.76 -0.62 132.00 130.31 1dby h PRO 39 Ca 0.54 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 66.49 1dby h PRO 39 Cb 1.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1dby h PRO 39 CO -0.95 0.65 -0.03 0.28 -0.21 0.00 0.00 178.00 177.74 1dby h VAL 40 N 0.85 1.27 -0.75 3.15 2.07 -0.28 0.14 116.25 122.70 1dby h VAL 40 Ca 0.21 -1.00 0.11 0.00 0.82 0.00 0.00 66.70 66.84 1dby h VAL 40 Cb 0.08 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 1dby h VAL 40 CO -0.03 0.32 0.36 0.58 0.02 0.00 0.00 177.57 178.83 1dby h VAL 41 N 0.29 0.80 -0.07 2.57 2.07 -0.33 0.11 116.25 121.69 1dby h VAL 41 Ca 0.08 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1dby h VAL 41 Cb 0.48 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1dby h VAL 41 CO 0.02 0.11 0.00 -0.78 0.02 0.00 0.00 177.57 176.94 1dby h ASP 42 N 0.59 0.12 -0.73 0.57 1.82 -0.71 -0.57 116.42 117.51 1dby h ASP 42 Ca 0.38 -0.30 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1dby h ASP 42 Cb 0.46 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1dby h ASP 42 CO -0.31 0.40 0.32 1.05 -1.61 0.00 0.00 179.24 179.09 1dby h GLU 43 N -0.15 1.08 -0.63 0.28 4.11 -0.25 0.03 114.58 119.04 1dby h GLU 43 Ca 0.02 -0.18 0.06 0.00 0.07 0.00 0.00 59.36 59.32 1dby h GLU 43 Cb 0.33 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1dby h GLU 43 CO 0.00 0.88 0.34 0.82 0.07 0.00 0.00 179.01 181.12 1dby h ILE 44 N 1.05 0.96 -0.24 -1.06 2.04 -0.72 0.12 117.51 119.65 1dby h ILE 44 Ca 0.25 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1dby h ILE 44 Cb 0.18 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1dby h ILE 44 CO -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.16 1dby h ALA 45 N 1.33 0.13 -0.73 1.87 0.00 -0.06 0.27 119.26 122.07 1dby h ALA 45 Ca 0.28 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1dby h ALA 45 Cb 0.18 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1dby h ALA 45 CO -0.18 -0.49 0.23 0.78 0.00 0.00 0.00 179.25 179.59 1dby h GLY 46 N -0.03 1.06 0.86 0.00 0.00 0.70 0.33 103.07 105.99 1dby h GLY 46 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1dby h GLY 46 CO -0.27 -0.15 0.05 0.83 0.00 0.00 0.00 176.54 177.00 1dby h GLU 47 N 0.34 0.39 -0.30 4.80 5.08 0.11 -3.34 114.58 121.66 1dby h GLU 47 Ca 0.41 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1dby h GLU 47 Cb 0.66 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1dby h GLU 47 CO -0.45 0.51 -0.01 0.66 -1.00 0.00 0.00 179.01 178.72 1dby n TYR 48 N -4.71 1.00 -0.58 4.33 4.01 -0.01 -5.05 117.16 116.14 1dby n TYR 48 Ca -0.03 -1.17 -0.30 0.00 -0.16 0.00 0.00 57.90 56.23 1dby n TYR 48 Cb 0.19 -0.39 0.21 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.80 -1.95 0.00 -0.72 2.85 0.11 -1.82 118.16 115.84 1dby n LYS 49 Ca 0.26 -0.54 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1dby n LYS 49 Cb 0.95 -1.96 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1dby n LYS 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1dby n ASP 50 N -3.35 0.00 -0.07 -5.58 8.00 -1.26 -4.18 116.55 110.11 1dby n ASP 50 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 1dby n ASP 50 Cb 0.57 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.55 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dby h LYS 51 N 0.00 0.00 -4.40 -1.24 1.57 -1.91 -3.43 116.57 107.16 1dby h LYS 51 Ca 0.00 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.05 1dby h LYS 51 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.07 1dby h LYS 51 CO 0.00 0.98 -0.40 -1.17 -0.57 0.00 0.00 179.45 178.29 1dby s LEU 52 N -8.22 5.34 -1.00 2.94 2.96 -0.75 -2.47 118.68 117.47 1dby s LEU 52 Ca -0.19 -1.27 -0.23 0.00 -0.22 0.00 0.00 54.13 52.22 1dby s LEU 52 Cb -0.03 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1dby s LEU 52 CO 0.67 -0.56 1.51 -0.75 -1.32 0.00 0.00 176.35 175.90 1dby s LYS 53 N 1.59 3.45 0.20 1.98 2.36 0.64 -4.32 119.74 125.64 1dby s LYS 53 Ca 0.04 -1.01 -0.30 0.00 -2.55 0.00 0.00 55.97 52.15 1dby s LYS 53 Cb -0.23 -5.32 -0.08 0.00 -1.05 0.00 0.00 37.83 31.16 1dby s LYS 53 CO 0.06 -2.36 1.00 0.00 1.55 0.00 0.00 175.35 175.60 1dby s VAL 55 N -0.71 0.09 -0.17 0.00 1.01 0.81 -1.00 120.40 120.42 1dby s VAL 55 Ca 0.45 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1dby s VAL 55 Cb -0.27 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1dby s VAL 55 CO 0.33 -0.40 -0.07 -0.54 0.00 0.00 0.00 175.10 174.43 1dby s LYS 56 N -3.91 1.63 -0.28 2.72 1.02 0.14 -0.47 119.74 120.59 1dby s LYS 56 Ca 0.11 -0.61 -0.19 0.00 0.02 0.00 0.00 55.97 55.31 1dby s LYS 56 Cb 0.03 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1dby s LYS 56 CO -0.05 -0.42 0.56 -1.17 -0.92 0.00 0.00 175.35 173.35 1dby s LEU 57 N 1.56 4.09 -0.48 3.17 2.96 0.27 -0.73 118.68 129.52 1dby s LEU 57 Ca 0.00 0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 1dby s LEU 57 Cb -0.15 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1dby s LEU 57 CO -0.08 -0.36 1.50 0.21 -1.32 0.00 0.00 176.35 176.30 1dby s ASN 58 N 1.57 6.10 0.24 3.68 3.84 -1.03 -0.81 114.94 128.53 1dby s ASN 58 Ca 0.23 0.62 -0.01 0.00 0.21 0.00 0.00 52.86 53.91 1dby s ASN 58 Cb -0.15 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.29 1dby s ASN 58 CO 0.10 -1.67 1.66 0.74 -2.79 0.00 0.00 177.10 175.14 1dby h THR 59 N 6.51 1.28 -0.69 -5.21 2.02 -1.05 0.16 112.91 115.93 1dby h THR 59 Ca -0.28 -1.36 -0.05 0.00 0.77 0.00 0.00 66.41 65.49 1dby h THR 59 Cb 1.11 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1dby h THR 59 CO 1.13 0.44 0.23 -0.78 0.37 0.00 0.00 175.52 176.91 1dby h ASP 60 N 0.53 0.98 1.31 4.18 1.82 -1.89 -1.45 116.42 121.89 1dby h ASP 60 Ca 0.07 -0.17 -0.12 0.00 -0.39 0.00 0.00 57.03 56.42 1dby h ASP 60 Cb 0.75 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1dby h ASP 60 CO 0.06 0.90 -0.72 -0.08 -1.61 0.00 0.00 179.24 177.79 1dby h GLU 61 N 1.01 0.00 -1.77 0.28 4.81 -1.88 -3.38 114.58 113.65 1dby h GLU 61 Ca 0.23 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.88 1dby h GLU 61 Cb 0.27 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.23 1dby h GLU 61 CO -0.01 0.44 -0.73 0.43 -0.73 0.00 0.00 179.01 178.41 1dby n SER 62 N -3.14 4.38 0.27 1.04 7.64 0.53 -4.81 113.62 119.54 1dby n SER 62 Ca -0.01 -3.64 0.12 0.00 1.01 0.00 0.00 58.87 56.35 1dby n SER 62 Cb 0.75 -0.50 0.75 0.00 -1.01 0.00 0.00 64.21 64.20 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 2.74 0.00 0.00 1.43 0.13 -1.48 -2.53 132.00 132.29 1dby h PRO 63 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1dby h PRO 63 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1dby h PRO 63 CO 0.81 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.76 1dby n ASN 64 N -3.82 0.00 -0.12 1.44 4.13 -1.26 -0.28 115.26 115.35 1dby n ASN 64 Ca -0.02 0.98 -0.05 0.00 1.68 0.00 0.00 54.58 57.17 1dby n ASN 64 Cb 0.19 -0.48 0.01 0.00 -1.54 0.00 0.00 39.78 37.96 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 0.53 -0.61 2.41 2.07 -1.93 0.57 116.25 119.30 1dby h VAL 65 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1dby h VAL 65 Cb 0.00 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.20 1dby h VAL 65 CO 0.00 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.62 1dby h ALA 66 N 1.30 0.63 -0.16 1.67 0.00 -1.30 -0.45 119.26 120.95 1dby h ALA 66 Ca 0.19 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1dby h ALA 66 Cb 0.34 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1dby h ALA 66 CO -0.43 -0.38 -0.43 0.77 0.00 0.00 0.00 179.25 178.78 1dby h SER 67 N 0.14 0.65 -0.42 0.00 0.02 0.24 0.33 113.55 114.52 1dby h SER 67 Ca 0.32 -0.58 0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1dby h SER 67 Cb 0.52 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1dby h SER 67 CO -0.50 1.12 0.04 -0.33 -1.14 0.00 0.00 176.83 176.01 1dby h GLU 68 N 0.22 0.15 0.13 3.45 5.08 -0.20 -2.33 114.58 121.08 1dby h GLU 68 Ca -0.01 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1dby h GLU 68 Cb 1.04 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1dby h GLU 68 CO 0.09 0.10 -1.24 1.88 -1.00 0.00 0.00 179.01 178.85 1dby h TYR 69 N 0.16 0.57 -3.60 4.33 0.05 -1.15 -3.49 116.97 113.83 1dby h TYR 69 Ca 0.21 -0.40 -0.12 0.00 0.05 0.00 0.00 58.73 58.47 1dby h TYR 69 Cb 0.28 -0.03 0.07 0.00 1.01 0.00 0.00 36.73 38.06 1dby h TYR 69 CO -0.24 1.30 -0.31 0.41 -1.05 0.00 0.00 178.16 178.27 1dby n GLY 70 N 1.49 0.12 3.72 3.88 0.00 0.12 -4.98 105.19 109.53 1dby n GLY 70 Ca -0.09 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1dby n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1dby n ILE 71 N -2.20 2.49 -1.75 -0.61 -5.35 -1.05 -4.88 119.36 106.01 1dby n ILE 71 Ca -0.08 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.48 1dby n ILE 71 Cb 0.56 -1.64 -0.00 0.00 -1.74 0.00 0.00 39.64 36.82 1dby n ILE 71 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1dby n ARG 72 N 0.09 2.85 0.00 6.28 0.63 -1.26 -4.88 116.66 120.37 1dby n ARG 72 Ca 0.06 -2.61 0.00 0.00 -0.92 0.00 0.00 57.85 54.38 1dby n ARG 72 Cb 0.39 -3.29 0.00 0.00 0.45 0.00 0.00 32.46 30.01 1dby n ARG 72 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1dby n SER 73 N 6.17 -2.36 -3.99 6.15 2.88 -1.26 -4.87 113.62 116.35 1dby n SER 73 Ca 0.52 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.96 1dby n SER 73 Cb 0.39 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.74 1dby n SER 73 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1dby s ILE 74 N 0.00 0.17 0.39 2.46 -4.36 -1.26 -4.36 121.20 114.23 1dby s ILE 74 Ca 0.00 -0.95 -0.26 0.00 -0.26 0.00 0.00 60.65 59.18 1dby s ILE 74 Cb 0.00 -0.33 -0.09 0.00 1.25 0.00 0.00 42.46 43.29 1dby s ILE 74 CO 0.00 -0.50 1.19 -2.16 0.24 0.00 0.00 174.94 173.72 1dby s PRO 75 N -1.53 4.10 -0.17 0.37 0.04 -1.26 -4.87 135.00 131.67 1dby s PRO 75 Ca -0.15 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1dby s PRO 75 Cb -0.10 -2.75 0.06 0.00 0.04 0.00 0.00 34.50 31.76 1dby s PRO 75 CO -0.01 -0.30 0.10 0.99 0.04 0.00 0.00 177.00 177.82 1dby s THR 76 N -1.35 -0.11 -0.08 1.26 2.01 -1.23 -0.77 115.64 115.36 1dby s THR 76 Ca 0.56 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 1dby s THR 76 Cb -0.32 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1dby s THR 76 CO 0.41 -0.27 0.39 -0.63 -0.69 0.00 0.00 174.62 173.83 1dby s ILE 77 N 2.16 5.17 -0.09 1.82 1.01 0.77 -0.56 121.20 131.47 1dby s ILE 77 Ca 0.02 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.48 1dby s ILE 77 Cb -0.16 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1dby s ILE 77 CO -0.09 0.45 -0.17 -0.04 0.00 0.00 0.00 174.94 175.09 1dby s MET 78 N -0.12 2.29 -0.17 2.79 -1.94 0.45 -0.59 119.30 122.01 1dby s MET 78 Ca 0.22 -0.61 -0.11 0.00 -1.71 0.00 0.00 55.69 53.49 1dby s MET 78 Cb -0.15 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.80 1dby s MET 78 CO 0.10 0.04 0.18 0.08 -0.01 0.00 0.00 175.02 175.41 1dby s VAL 79 N 0.67 5.38 -0.07 -6.03 1.01 0.31 -0.47 120.40 121.21 1dby s VAL 79 Ca -0.13 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1dby s VAL 79 Cb -0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1dby s VAL 79 CO 0.03 0.45 -0.25 -0.36 0.00 0.00 0.00 175.10 174.98 1dby s PHE 80 N 0.17 2.47 -0.31 5.22 0.40 0.14 -0.15 117.98 125.92 1dby s PHE 80 Ca 0.12 -0.79 0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1dby s PHE 80 Cb -0.12 -1.62 0.66 0.00 0.51 0.00 0.00 43.02 42.45 1dby s PHE 80 CO 0.01 -0.26 1.70 0.36 0.70 0.00 0.00 175.22 177.73 1dby n LYS 81 N 3.06 3.02 0.00 0.44 0.00 -1.01 -0.10 118.16 123.57 1dby n LYS 81 Ca -0.18 -3.06 0.00 0.00 -0.00 0.00 0.00 58.31 55.07 1dby n LYS 81 Cb 0.52 -2.08 0.00 0.00 -0.00 0.00 0.00 35.03 33.47 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 -0.55 1.91 5.00 2.58 0.00 -1.26 -4.65 105.19 108.22 1dby n GLY 82 Ca 0.39 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 2.37 1.61 3.53 -0.02 0.00 -0.20 -4.81 105.19 107.66 1dby n GLY 83 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 1.83 0.93 1.61 -0.14 -1.26 -4.56 119.74 118.15 1dby s LYS 84 Ca 0.00 -2.06 -0.11 0.00 -1.36 0.00 0.00 55.97 52.43 1dby s LYS 84 Cb 0.00 -1.02 0.15 0.00 -1.68 0.00 0.00 37.83 35.28 1dby s LYS 84 CO 0.00 -0.25 1.09 0.15 -0.76 0.00 0.00 175.35 175.58 1dby s LYS 85 N -3.82 0.96 0.14 1.68 1.02 -1.26 -2.40 119.74 116.06 1dby s LYS 85 Ca 0.30 0.92 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1dby s LYS 85 Cb 0.07 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1dby s LYS 85 CO 0.14 -2.47 0.00 0.00 -0.92 0.00 0.00 175.35 172.10 1dby s GLU 87 N -2.00 1.28 -0.10 0.00 0.41 -1.20 -5.02 118.70 112.08 1dby s GLU 87 Ca 0.00 -1.68 -0.30 0.00 -0.41 0.00 0.00 54.97 52.58 1dby s GLU 87 Cb 0.00 0.28 0.07 0.00 -1.78 0.00 0.00 34.13 32.70 1dby s GLU 87 CO 0.00 -0.43 0.69 -0.08 -0.49 0.00 0.00 175.26 174.95 1dby s THR 88 N -4.06 0.00 0.06 3.63 -1.32 -1.26 -0.53 115.64 112.16 1dby s THR 88 Ca 0.39 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.91 1dby s THR 88 Cb 0.06 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1dby s THR 88 CO 0.14 0.00 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.80 1dby s ILE 89 N -0.85 0.92 0.03 5.08 -1.09 0.24 -4.98 121.20 120.56 1dby s ILE 89 Ca -0.09 -1.26 0.05 0.00 -2.23 0.00 0.00 60.65 57.12 1dby s ILE 89 Cb -0.01 -0.95 -0.02 0.00 -1.58 0.00 0.00 42.46 39.90 1dby s ILE 89 CO 0.08 -0.30 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.72 1dby s ILE 90 N -1.39 1.09 0.00 2.92 1.09 -1.26 -0.17 121.20 123.48 1dby s ILE 90 Ca -0.04 -0.93 0.00 0.00 -1.10 0.00 0.00 60.65 58.58 1dby s ILE 90 Cb -0.09 -0.98 0.00 0.00 -1.06 0.00 0.00 42.46 40.32 1dby s ILE 90 CO 0.02 0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 1dby n GLY 91 N 2.04 -0.75 3.72 6.18 0.00 0.05 -4.94 105.19 111.48 1dby n GLY 91 Ca -0.17 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 92 N -2.76 3.30 0.01 4.61 0.00 -1.26 -4.83 121.76 120.83 1dby s ALA 92 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1dby s ALA 92 Cb 0.00 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1dby s ALA 92 CO 0.00 -0.30 0.09 0.14 0.00 0.00 0.00 175.76 175.69 1dby s VAL 93 N 0.76 0.09 0.80 0.00 -7.23 -1.26 -5.16 120.40 108.39 1dby s VAL 93 Ca 0.54 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.85 1dby s VAL 93 Cb -0.26 -0.37 0.06 0.00 0.56 0.00 0.00 36.38 36.36 1dby s VAL 93 CO 0.30 -0.40 1.05 -2.65 -0.31 0.00 0.00 175.10 173.09 1dby n PRO 94 N 1.56 0.22 -0.21 4.82 -0.02 -1.26 -4.67 135.00 135.45 1dby n PRO 94 Ca -0.23 0.14 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1dby n PRO 94 Cb 0.56 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.78 -0.10 -0.71 -0.52 3.64 -1.99 0.15 116.57 116.25 1dby h LYS 95 Ca -0.46 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1dby h LYS 95 Cb 1.31 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 1dby h LYS 95 CO 0.45 -0.07 0.18 0.00 -2.27 0.00 0.00 179.45 177.74 1dby h ALA 96 N 1.26 0.92 -0.05 5.00 0.00 -1.99 0.20 119.26 124.60 1dby h ALA 96 Ca 0.27 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1dby h ALA 96 Cb 0.53 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1dby h ALA 96 CO -0.69 -0.32 0.00 1.15 0.00 0.00 0.00 179.25 179.39 1dby h THR 97 N 0.28 1.25 0.24 0.00 2.02 -1.14 -1.18 112.91 114.38 1dby h THR 97 Ca 0.40 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1dby h THR 97 Cb 0.66 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1dby h THR 97 CO -0.49 0.21 -0.47 0.40 0.37 0.00 0.00 175.52 175.54 1dby h ILE 98 N -0.20 0.08 -0.03 3.11 2.04 0.07 0.69 117.51 123.26 1dby h ILE 98 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1dby h ILE 98 Cb 0.33 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1dby h ILE 98 CO 0.00 0.00 -0.33 0.58 0.00 0.00 0.00 178.15 178.40 1dby h VAL 99 N -0.79 0.28 -0.40 1.67 2.07 -0.68 0.11 116.25 118.51 1dby h VAL 99 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1dby h VAL 99 Cb 0.76 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1dby h VAL 99 CO -0.20 0.00 0.13 1.56 0.02 0.00 0.00 177.57 179.08 1dby h GLN 100 N -0.47 0.27 -0.78 1.57 4.20 -1.02 0.11 115.11 119.00 1dby h GLN 100 Ca 0.07 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1dby h GLN 100 Cb 0.57 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1dby h GLN 100 CO -0.29 0.18 0.52 1.15 -0.67 0.00 0.00 178.83 179.72 1dby h THR 101 N 0.28 1.19 0.58 -0.54 2.02 -0.26 -0.13 112.91 116.05 1dby h THR 101 Ca 0.19 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1dby h THR 101 Cb 0.19 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1dby h THR 101 CO -0.20 0.19 -0.28 0.58 0.37 0.00 0.00 175.52 176.18 1dby h VAL 102 N 1.05 0.33 -0.50 3.16 2.07 -0.24 -3.23 116.25 118.88 1dby h VAL 102 Ca 0.29 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1dby h VAL 102 Cb -0.11 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 29.99 1dby h VAL 102 CO -0.07 0.04 -0.51 -0.33 0.02 0.00 0.00 177.57 176.72 1dby h GLU 103 N -0.99 -0.30 0.00 1.57 4.39 -0.51 -0.38 114.58 118.36 1dby h GLU 103 Ca -0.08 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1dby h GLU 103 Cb 0.66 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1dby h GLU 103 CO 0.13 -0.20 0.09 1.57 -1.16 0.00 0.00 179.01 179.44 1dby h LYS 104 N -0.31 0.00 0.00 2.33 5.09 -1.11 0.36 116.57 122.93 1dby h LYS 104 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.78 1dby h LYS 104 Cb 0.57 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.89 1dby h LYS 104 CO -0.65 0.00 -0.41 1.88 -2.09 0.00 0.00 179.45 178.18 1dby h TYR 105 N 0.00 0.00 0.01 0.07 0.05 -1.08 -3.37 116.97 112.65 1dby h TYR 105 Ca 0.00 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.37 1dby h TYR 105 Cb 0.18 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 1dby h TYR 105 CO 0.00 0.37 -2.42 1.28 -1.05 0.00 0.00 178.16 176.34 1dby n LEU 106 N -3.17 2.62 0.00 3.88 4.77 0.97 -5.15 117.00 120.92 1dby n LEU 106 Ca 0.02 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1dby n LEU 106 Cb 0.68 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1dby n LEU 106 CO 0.39 0.81 0.00 -0.46 -1.33 0.00 0.00 177.39 176.80