#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 1.10 -6.39 2.12 3.07 -1.96 -3.36 114.58 109.16 1dby h GLU 2 Ca 0.00 -0.16 -0.54 0.00 -0.50 0.00 0.00 59.36 58.16 1dby h GLU 2 Cb 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 1dby h GLU 2 CO 0.00 0.85 0.40 0.00 -1.40 0.00 0.00 179.01 178.86 1dby s ALA 3 N -5.72 3.20 1.09 3.43 0.00 -1.26 -4.82 121.76 117.67 1dby s ALA 3 Ca -0.13 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1dby s ALA 3 Cb 0.15 -3.35 0.20 0.00 0.00 0.00 0.00 23.12 20.12 1dby s ALA 3 CO 0.82 -0.28 0.92 0.41 0.00 0.00 0.00 175.76 177.63 1dby n GLY 4 N 2.93 -2.04 3.20 0.00 0.00 -0.13 -4.79 105.19 104.36 1dby n GLY 4 Ca 0.06 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.50 1.75 0.19 4.61 0.00 -1.26 -0.51 121.76 123.04 1dby s ALA 5 Ca 0.56 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1dby s ALA 5 Cb -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 1dby s ALA 5 CO 0.41 0.36 0.02 0.14 0.00 0.00 0.00 175.76 176.69 1dby s VAL 6 N -0.19 0.69 0.25 0.00 -7.23 -0.02 -4.87 120.40 109.03 1dby s VAL 6 Ca 0.00 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1dby s VAL 6 Cb -0.11 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1dby s VAL 6 CO 0.02 -0.38 0.32 0.21 -0.31 0.00 0.00 175.10 174.96 1dby s ASN 7 N -3.21 0.30 0.28 4.85 3.04 -1.26 -2.94 114.94 116.00 1dby s ASN 7 Ca 0.27 -1.27 -0.02 0.00 0.04 0.00 0.00 52.86 51.87 1dby s ASN 7 Cb 0.06 0.51 0.60 0.00 -1.54 0.00 0.00 41.25 40.88 1dby s ASN 7 CO 0.06 -1.04 1.49 -0.67 -3.04 0.00 0.00 177.10 173.90 1dby n ASP 8 N -0.59 -0.22 0.00 -4.21 2.03 -1.26 -0.39 116.55 111.91 1dby n ASP 8 Ca 0.01 1.63 0.00 0.00 0.52 0.00 0.00 54.79 56.95 1dby n ASP 8 Cb 0.64 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -5.48 0.00 -0.26 1.67 2.03 -1.26 -3.65 116.55 109.60 1dby n ASP 9 Ca 0.19 0.80 0.15 0.00 0.52 0.00 0.00 54.79 56.46 1dby n ASP 9 Cb 0.62 -0.30 0.44 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.75 -0.96 5.18 1.35 -1.83 -1.75 112.91 115.65 1dby h THR 10 Ca 0.00 -0.19 0.26 0.00 -0.55 0.00 0.00 66.41 65.93 1dby h THR 10 Cb 0.00 0.14 -0.18 0.00 -1.73 0.00 0.00 68.15 66.38 1dby h THR 10 CO 0.00 0.10 0.02 0.15 -0.25 0.00 0.00 175.52 175.54 1dby h PHE 11 N 0.56 -0.06 -0.62 4.73 3.57 -0.79 0.19 116.94 124.52 1dby h PHE 11 Ca 0.47 0.07 0.13 0.00 3.53 0.00 0.00 57.97 62.17 1dby h PHE 11 Cb 0.94 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.76 1dby h PHE 11 CO -0.00 -0.41 0.01 0.87 -2.23 0.00 0.00 178.31 176.55 1dby h LYS 12 N 0.02 0.12 0.00 1.11 1.79 -1.39 0.32 116.57 118.55 1dby h LYS 12 Ca 0.58 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 59.01 1dby h LYS 12 Cb 1.16 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1dby h LYS 12 CO -0.90 0.08 -0.35 -0.91 -1.08 0.00 0.00 179.45 176.30 1dby h ASN 13 N 0.13 0.00 -0.51 0.86 4.21 -1.06 -0.30 115.58 118.90 1dby h ASN 13 Ca 0.33 -0.18 -0.09 0.00 1.21 0.00 0.00 56.30 57.57 1dby h ASN 13 Cb 0.53 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1dby h ASN 13 CO -0.52 0.78 -0.00 0.58 -1.29 0.00 0.00 177.43 176.97 1dby h VAL 14 N -1.00 1.26 0.00 2.81 2.07 -0.74 -3.32 116.25 117.33 1dby h VAL 14 Ca -0.04 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1dby h VAL 14 Cb 0.47 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1dby h VAL 14 CO -0.03 0.39 -0.82 0.52 0.02 0.00 0.00 177.57 177.65 1dby n VAL 15 N -4.19 1.42 0.00 2.57 0.31 0.90 -4.64 118.33 114.71 1dby n VAL 15 Ca 0.03 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1dby n VAL 15 Cb 0.33 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 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 -4.21 0.13 -2.37 7.52 4.77 0.09 -3.79 117.00 119.15 1dby n LEU 16 Ca -0.12 0.77 -0.19 0.00 -0.03 0.00 0.00 56.01 56.44 1dby n LEU 16 Cb 0.41 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1dby n LEU 16 CO 0.15 -0.43 2.09 -0.62 -1.33 0.00 0.00 177.39 177.25 1dby n GLU 17 N -1.80 2.42 -3.02 3.23 -0.58 -0.13 -0.12 120.64 120.65 1dby n GLU 17 Ca 0.00 -1.31 -0.26 0.00 -0.42 0.00 0.00 57.16 55.17 1dby n GLU 17 Cb 0.00 -2.21 -0.01 0.00 -0.57 0.00 0.00 31.44 28.65 1dby n GLU 17 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1dby s SER 18 N 2.08 6.30 -0.00 1.62 1.04 -1.25 -4.82 113.70 118.68 1dby s SER 18 Ca 0.66 0.72 -0.00 0.00 0.48 0.00 0.00 55.95 57.81 1dby s SER 18 Cb 0.28 -2.15 -0.00 0.00 0.10 0.00 0.00 66.02 64.24 1dby s SER 18 CO -0.02 -0.42 -0.00 -1.54 0.98 0.00 0.00 173.24 172.24 1dby n SER 19 N -1.90 0.02 -4.83 7.02 3.41 -1.26 -4.09 113.62 111.99 1dby n SER 19 Ca -0.02 0.21 -0.32 0.00 -0.26 0.00 0.00 58.87 58.48 1dby n SER 19 Cb 0.55 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.02 4.37 1.01 -3.33 -7.23 -1.26 -4.75 120.40 108.19 1dby s VAL 20 Ca -0.00 1.14 -0.11 0.00 -1.81 0.00 0.00 61.98 61.20 1dby s VAL 20 Cb 0.00 -3.65 0.20 0.00 0.56 0.00 0.00 36.38 33.49 1dby s VAL 20 CO 0.00 -0.64 1.10 -2.84 -0.31 0.00 0.00 175.10 172.41 1dby s PRO 21 N -4.05 0.29 -0.16 4.82 0.02 -1.26 -4.66 135.00 129.99 1dby s PRO 21 Ca 0.60 1.24 -0.02 0.00 0.02 0.00 0.00 61.00 62.84 1dby s PRO 21 Cb -0.11 -1.67 0.05 0.00 0.02 0.00 0.00 34.50 32.79 1dby s PRO 21 CO 0.32 -3.03 0.01 0.08 -0.33 0.00 0.00 177.00 174.05 1dby s VAL 22 N -2.59 0.63 -0.58 3.83 1.01 0.56 -0.35 120.40 122.90 1dby s VAL 22 Ca 0.67 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1dby s VAL 22 Cb -0.23 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1dby s VAL 22 CO 0.60 -0.01 1.11 -0.22 0.00 0.00 0.00 175.10 176.58 1dby s LEU 23 N 1.83 3.68 -0.31 3.92 0.20 0.19 -0.69 118.68 127.50 1dby s LEU 23 Ca 0.01 -0.09 -0.11 0.00 0.69 0.00 0.00 54.13 54.63 1dby s LEU 23 Cb -0.15 -3.01 -0.01 0.00 -0.43 0.00 0.00 46.19 42.58 1dby s LEU 23 CO -0.07 -1.41 0.18 -0.69 -0.29 0.00 0.00 176.35 174.07 1dby s VAL 24 N 4.63 4.84 -0.40 1.68 1.01 0.84 -0.01 120.40 132.98 1dby s VAL 24 Ca 0.38 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 1dby s VAL 24 Cb -0.09 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1dby s VAL 24 CO 0.23 0.07 0.72 -0.62 0.00 0.00 0.00 175.10 175.49 1dby s ASP 25 N 1.66 6.43 -0.39 3.32 2.15 0.25 -0.86 116.67 129.23 1dby s ASP 25 Ca 0.05 0.02 -0.29 0.00 0.43 0.00 0.00 52.55 52.77 1dby s ASP 25 Cb -0.17 -2.36 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1dby s ASP 25 CO 0.08 -0.76 1.18 -0.36 -0.17 0.00 0.00 175.17 175.13 1dby s PHE 26 N 3.01 2.85 0.11 -5.34 0.40 0.25 -0.47 117.98 118.79 1dby s PHE 26 Ca 0.27 0.89 0.01 0.00 -0.60 0.00 0.00 56.93 57.50 1dby s PHE 26 Cb -0.13 -4.10 -0.00 0.00 0.51 0.00 0.00 43.02 39.29 1dby s PHE 26 CO 0.19 -1.27 0.04 -2.67 0.70 0.00 0.00 175.22 172.20 1dby n TRP 27 N 7.61 0.05 -3.59 0.36 4.27 -0.01 -2.69 117.44 123.44 1dby n TRP 27 Ca 0.13 -0.69 -0.10 0.00 -3.89 0.00 0.00 57.50 52.95 1dby n TRP 27 Cb 0.48 -0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 30.37 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 -1.95 0.21 -1.67 0.00 -1.26 -0.32 121.76 114.47 1dby s ALA 28 Ca 0.05 1.64 -0.09 0.00 0.00 0.00 0.00 51.96 53.56 1dby s ALA 28 Cb 0.00 -0.85 0.28 0.00 0.00 0.00 0.00 23.12 22.55 1dby s ALA 28 CO 0.04 -0.29 1.75 -1.00 0.00 0.00 0.00 175.76 176.26 1dby h PRO 29 N 2.70 0.44 0.00 0.00 0.13 -2.01 -0.79 132.00 132.47 1dby h PRO 29 Ca -0.19 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1dby h PRO 29 Cb 1.17 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1dby h PRO 29 CO 0.28 0.29 -0.06 0.11 -0.23 0.00 0.00 178.00 178.39 1dby h TRP 30 N 0.45 0.00 -0.83 1.56 5.08 -2.05 -3.39 115.95 116.77 1dby h TRP 30 Ca 0.31 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.76 1dby h TRP 30 Cb 0.37 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.46 1dby h TRP 30 CO -0.15 0.06 1.55 0.00 -1.28 0.00 0.00 178.44 178.62 1dby h GLY 32 N 14.52 -0.04 1.39 0.00 0.00 -1.83 0.21 103.07 117.33 1dby h GLY 32 Ca 0.28 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.15 1dby h GLY 32 CO 1.36 -0.20 0.23 -2.55 0.00 0.00 0.00 176.54 175.38 1dby h PRO 33 N -0.10 0.00 0.05 4.80 0.11 -1.92 -0.58 132.00 134.37 1dby h PRO 33 Ca 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1dby h PRO 33 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1dby h PRO 33 CO -0.80 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 176.96 1dby h ARG 35 N -0.93 0.09 0.00 0.00 2.43 -0.02 0.11 114.38 116.07 1dby h ARG 35 Ca -0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1dby h ARG 35 Cb 0.60 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1dby h ARG 35 CO 0.01 0.06 -0.35 -0.84 -1.51 0.00 0.00 179.97 177.34 1dby h ILE 36 N 0.10 0.85 0.00 1.20 -0.00 -1.27 -3.06 117.51 115.32 1dby h ILE 36 Ca 0.46 -1.46 -0.17 0.00 -0.00 0.00 0.00 64.86 63.69 1dby h ILE 36 Cb 0.85 1.90 -0.03 0.00 -0.00 0.00 0.00 36.82 39.54 1dby h ILE 36 CO -0.72 0.35 -1.20 0.16 -0.00 0.00 0.00 178.15 176.74 1dby h ILE 37 N 0.00 0.73 -0.96 0.16 3.07 -0.93 -3.40 117.51 116.18 1dby h ILE 37 Ca -0.00 -2.25 0.28 0.00 1.55 0.00 0.00 64.86 64.44 1dby h ILE 37 Cb 0.87 2.24 -0.18 0.00 -0.27 0.00 0.00 36.82 39.48 1dby h ILE 37 CO 0.05 0.41 0.08 0.00 -1.05 0.00 0.00 178.15 177.64 1dby n ALA 38 N -2.37 0.55 0.07 0.16 0.00 -0.01 0.38 120.51 119.29 1dby n ALA 38 Ca -0.07 1.02 -0.02 0.00 0.00 0.00 0.00 53.44 54.37 1dby n ALA 38 Cb 0.85 -0.78 0.23 0.00 0.00 0.00 0.00 19.45 19.75 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 0.32 -0.14 0.00 0.11 -1.77 -0.71 132.00 129.81 1dby h PRO 39 Ca 0.61 -0.14 -0.21 0.00 0.11 0.00 0.00 66.00 66.37 1dby h PRO 39 Cb 1.32 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.43 1dby h PRO 39 CO -0.88 0.63 -0.76 0.28 -0.21 0.00 0.00 178.00 177.06 1dby h VAL 40 N 0.28 1.30 -0.43 3.15 2.07 -0.33 0.15 116.25 122.44 1dby h VAL 40 Ca 0.03 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1dby h VAL 40 Cb 0.74 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1dby h VAL 40 CO 0.06 0.63 0.28 0.58 0.02 0.00 0.00 177.57 179.13 1dby h VAL 41 N 0.49 1.12 0.16 2.57 2.07 -0.06 0.11 116.25 122.71 1dby h VAL 41 Ca -0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1dby h VAL 41 Cb 1.37 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1dby h VAL 41 CO 0.15 0.12 -0.16 0.44 0.02 0.00 0.00 177.57 178.13 1dby h ASP 42 N 0.58 -0.44 -0.47 0.57 3.32 -1.00 0.05 116.42 119.02 1dby h ASP 42 Ca 0.16 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.34 1dby h ASP 42 Cb -0.05 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.57 1dby h ASP 42 CO -0.03 -0.25 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.05 1dby h GLU 43 N -0.36 0.01 -0.92 3.56 4.57 -0.60 -0.90 114.58 119.95 1dby h GLU 43 Ca 0.00 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1dby h GLU 43 Cb 0.34 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1dby h GLU 43 CO -0.04 0.01 0.60 0.82 -1.18 0.00 0.00 179.01 179.21 1dby h ILE 44 N 0.01 1.17 -0.65 2.32 2.04 -0.40 0.36 117.51 122.35 1dby h ILE 44 Ca 0.23 -0.40 0.12 0.00 1.00 0.00 0.00 64.86 65.81 1dby h ILE 44 Cb 0.35 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1dby h ILE 44 CO -0.48 0.21 0.44 0.00 0.00 0.00 0.00 178.15 178.32 1dby h ALA 45 N 1.46 2.07 0.31 1.87 0.00 0.41 -0.04 119.26 125.34 1dby h ALA 45 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1dby h ALA 45 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dby h ALA 45 CO -0.11 -0.23 -0.15 0.78 0.00 0.00 0.00 179.25 179.55 1dby h GLY 46 N 0.40 -0.44 -0.30 0.00 0.00 0.10 -1.63 103.07 101.19 1dby h GLY 46 Ca 0.31 0.16 0.17 0.00 0.00 0.00 0.00 47.33 47.97 1dby h GLY 46 CO -0.09 -0.16 0.02 0.83 0.00 0.00 0.00 176.54 177.14 1dby h GLU 47 N -0.95 0.11 -0.44 4.80 5.08 0.02 -1.78 114.58 121.43 1dby h GLU 47 Ca -0.04 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1dby h GLU 47 Cb 0.51 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1dby h GLU 47 CO 0.07 0.08 0.05 0.66 -1.00 0.00 0.00 179.01 178.87 1dby n TYR 48 N -5.32 1.53 -0.34 4.33 4.01 -0.12 -4.70 117.16 116.55 1dby n TYR 48 Ca 0.13 -1.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.04 1dby n TYR 48 Cb 0.46 -0.46 0.37 0.00 -0.31 0.00 0.00 39.34 39.40 1dby n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1dby h LYS 49 N 2.35 0.55 0.08 -0.72 1.63 -0.36 0.87 116.57 120.98 1dby h LYS 49 Ca 0.08 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1dby h LYS 49 Cb 1.78 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 33.28 1dby h LYS 49 CO 0.41 0.36 -0.09 0.22 -3.45 0.00 0.00 179.45 176.91 1dby h ASP 50 N 0.57 -0.24 0.74 4.20 3.58 -1.84 -3.35 116.42 120.08 1dby h ASP 50 Ca 0.63 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.10 1dby h ASP 50 Cb 1.18 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1dby h ASP 50 CO -0.48 -0.11 -0.73 2.29 -2.88 0.00 0.00 179.24 177.34 1dby n LYS 51 N -2.82 0.28 -3.88 0.28 2.85 -1.01 -4.95 118.16 108.90 1dby n LYS 51 Ca -0.02 0.06 -0.14 0.00 -1.05 0.00 0.00 58.31 57.16 1dby n LYS 51 Cb 0.08 -1.65 -0.15 0.00 -0.65 0.00 0.00 35.03 32.65 1dby n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1dby s LEU 52 N -4.10 1.56 0.46 -5.58 2.96 0.27 -4.23 118.68 110.03 1dby s LEU 52 Ca 0.06 -0.00 -0.19 0.00 -0.22 0.00 0.00 54.13 53.77 1dby s LEU 52 Cb 0.14 -0.09 -0.10 0.00 0.50 0.00 0.00 46.19 46.64 1dby s LEU 52 CO 0.74 -0.05 0.96 -0.75 -1.32 0.00 0.00 176.35 175.93 1dby s LYS 53 N 0.51 4.12 -0.01 1.98 2.36 0.52 -4.26 119.74 124.96 1dby s LYS 53 Ca -0.04 1.06 0.01 0.00 -2.55 0.00 0.00 55.97 54.45 1dby s LYS 53 Cb -0.07 -2.16 0.01 0.00 -1.05 0.00 0.00 37.83 34.56 1dby s LYS 53 CO -0.01 -0.12 -0.03 0.00 1.55 0.00 0.00 175.35 176.74 1dby s VAL 55 N 0.26 0.02 -0.16 0.00 1.01 0.98 -0.95 120.40 121.57 1dby s VAL 55 Ca -0.02 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 1dby s VAL 55 Cb -0.05 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.49 1dby s VAL 55 CO -0.01 -0.11 -0.07 -0.54 0.00 0.00 0.00 175.10 174.38 1dby s LYS 56 N -3.95 1.57 -0.33 2.72 1.02 0.33 -0.58 119.74 120.52 1dby s LYS 56 Ca 0.16 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.48 1dby s LYS 56 Cb -0.00 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1dby s LYS 56 CO 0.02 -0.40 0.33 -1.17 -0.92 0.00 0.00 175.35 173.22 1dby s LEU 57 N 1.61 4.40 -0.35 3.17 2.96 0.38 -0.84 118.68 130.00 1dby s LEU 57 Ca 0.01 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.43 1dby s LEU 57 Cb -0.15 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 1dby s LEU 57 CO -0.08 -0.29 1.62 0.21 -1.32 0.00 0.00 176.35 176.49 1dby s ASN 58 N 1.73 6.13 0.14 3.68 3.84 -1.15 -0.83 114.94 128.48 1dby s ASN 58 Ca 0.11 1.13 -0.14 0.00 0.21 0.00 0.00 52.86 54.17 1dby s ASN 58 Cb -0.17 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.02 1dby s ASN 58 CO 0.11 -1.55 1.66 0.74 -2.79 0.00 0.00 177.10 175.27 1dby h THR 59 N 6.61 1.23 -0.25 -5.21 2.02 -0.96 0.25 112.91 116.60 1dby h THR 59 Ca -0.31 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.03 1dby h THR 59 Cb 1.14 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1dby h THR 59 CO 1.05 0.28 -0.12 -0.78 0.37 0.00 0.00 175.52 176.32 1dby h ASP 60 N 0.63 0.40 1.31 4.18 3.58 -1.90 -0.07 116.42 124.55 1dby h ASP 60 Ca 0.15 -0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 1dby h ASP 60 Cb 0.29 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1dby h ASP 60 CO -0.00 0.55 -0.71 -0.08 -2.88 0.00 0.00 179.24 176.12 1dby h GLU 61 N 0.39 0.00 -1.78 0.28 4.81 -1.86 -3.38 114.58 113.04 1dby h GLU 61 Ca 0.08 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.77 1dby h GLU 61 Cb 0.45 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.41 1dby h GLU 61 CO 0.03 0.44 -0.84 0.43 -0.73 0.00 0.00 179.01 178.34 1dby n SER 62 N -3.14 3.59 0.16 1.04 7.64 0.87 -4.73 113.62 119.06 1dby n SER 62 Ca -0.01 -3.46 0.02 0.00 1.01 0.00 0.00 58.87 56.44 1dby n SER 62 Cb 0.75 -0.53 0.37 0.00 -1.01 0.00 0.00 64.21 63.80 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 2.84 0.09 0.00 1.43 0.13 -1.23 -3.12 132.00 132.14 1dby h PRO 63 Ca 0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1dby h PRO 63 Cb 0.82 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1dby h PRO 63 CO 0.74 0.37 0.00 0.27 -0.23 0.00 0.00 178.00 179.15 1dby n ASN 64 N -4.17 0.00 -0.12 1.44 0.23 -1.26 0.10 115.26 111.48 1dby n ASN 64 Ca -0.02 0.73 -0.05 0.00 -0.53 0.00 0.00 54.58 54.71 1dby n ASN 64 Cb 0.35 -0.23 0.01 0.00 -2.08 0.00 0.00 39.78 37.84 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1dby h VAL 65 N 0.00 0.46 -0.94 3.53 2.07 -1.96 0.13 116.25 119.53 1dby h VAL 65 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1dby h VAL 65 Cb 0.00 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1dby h VAL 65 CO 0.00 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.20 1dby h ALA 66 N 1.21 1.48 -0.17 1.67 0.00 -1.46 0.73 119.26 122.72 1dby h ALA 66 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1dby h ALA 66 Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1dby h ALA 66 CO -0.46 0.37 -0.22 0.77 0.00 0.00 0.00 179.25 179.71 1dby h SER 67 N 1.07 0.48 -0.82 0.00 0.02 0.92 0.37 113.55 115.60 1dby h SER 67 Ca 0.41 -0.50 0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1dby h SER 67 Cb 0.21 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 1dby h SER 67 CO -0.16 0.89 0.48 -0.33 -1.14 0.00 0.00 176.83 176.57 1dby h GLU 68 N 0.09 0.79 0.00 3.45 5.08 -0.44 -1.40 114.58 122.16 1dby h GLU 68 Ca 0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1dby h GLU 68 Cb 0.77 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1dby h GLU 68 CO 0.05 0.52 -0.38 1.88 -1.00 0.00 0.00 179.01 180.08 1dby h TYR 69 N 0.82 0.00 -2.35 4.33 0.05 -0.78 -3.48 116.97 115.56 1dby h TYR 69 Ca 0.39 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.11 1dby h TYR 69 Cb 0.32 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.09 1dby h TYR 69 CO -0.06 0.38 -0.12 0.41 -1.05 0.00 0.00 178.16 177.72 1dby n GLY 70 N 1.10 0.44 3.71 3.88 0.00 0.11 -5.00 105.19 109.43 1dby n GLY 70 Ca 0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.06 3.51 -0.04 -0.61 1.01 -0.23 -4.94 121.20 116.84 1dby s ILE 71 Ca 0.03 1.05 -0.22 0.00 0.00 0.00 0.00 60.65 61.51 1dby s ILE 71 Cb -0.01 -3.67 -0.29 0.00 0.01 0.00 0.00 42.46 38.49 1dby s ILE 71 CO 0.12 0.06 0.94 -0.09 0.00 0.00 0.00 174.94 175.97 1dby h ARG 72 N 7.04 0.29 -3.29 2.79 2.43 -1.94 -3.48 114.38 118.23 1dby h ARG 72 Ca -0.41 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 58.32 1dby h ARG 72 Cb 1.20 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.85 1dby h ARG 72 CO 0.86 1.18 0.09 -1.12 -1.51 0.00 0.00 179.97 179.47 1dby s SER 73 N -6.84 -0.12 0.16 -3.80 0.01 -1.26 -5.19 113.70 96.67 1dby s SER 73 Ca -0.14 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 56.39 1dby s SER 73 Cb 0.01 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.89 1dby s SER 73 CO 0.81 -1.31 -0.20 0.27 0.41 0.00 0.00 173.24 173.23 1dby s ILE 74 N -3.75 1.91 0.53 1.44 -4.36 -1.26 -4.28 121.20 111.42 1dby s ILE 74 Ca 0.16 -1.90 -0.20 0.00 -0.26 0.00 0.00 60.65 58.46 1dby s ILE 74 Cb -0.04 -1.86 -0.06 0.00 1.25 0.00 0.00 42.46 41.75 1dby s ILE 74 CO 0.09 -0.25 1.13 -2.16 0.24 0.00 0.00 174.94 173.99 1dby s PRO 75 N -2.67 3.44 -0.29 0.37 0.04 -1.26 -4.82 135.00 129.82 1dby s PRO 75 Ca 0.16 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1dby s PRO 75 Cb -0.07 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1dby s PRO 75 CO 0.07 -0.78 0.10 0.99 0.04 0.00 0.00 177.00 177.42 1dby s THR 76 N -1.76 0.45 -0.36 1.26 2.01 -1.10 -0.53 115.64 115.61 1dby s THR 76 Ca 0.71 -1.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 1dby s THR 76 Cb -0.24 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1dby s THR 76 CO 0.27 -0.64 0.65 -0.63 -0.69 0.00 0.00 174.62 173.57 1dby s ILE 77 N 1.84 4.88 0.10 1.82 1.01 0.49 -0.59 121.20 130.76 1dby s ILE 77 Ca 0.08 0.60 0.08 0.00 0.00 0.00 0.00 60.65 61.41 1dby s ILE 77 Cb -0.17 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1dby s ILE 77 CO -0.28 -0.33 -0.19 -0.04 0.00 0.00 0.00 174.94 174.10 1dby s MET 78 N 2.74 1.07 -0.08 2.79 -1.94 -0.04 0.15 119.30 123.99 1dby s MET 78 Ca 0.25 -1.14 -0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1dby s MET 78 Cb -0.14 -1.28 -0.03 0.00 2.01 0.00 0.00 34.83 35.39 1dby s MET 78 CO 0.15 0.29 -0.03 0.08 -0.01 0.00 0.00 175.02 175.50 1dby s VAL 79 N -1.24 4.04 0.35 -6.03 1.01 -0.19 -0.11 120.40 118.22 1dby s VAL 79 Ca 0.05 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1dby s VAL 79 Cb -0.10 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1dby s VAL 79 CO 0.04 0.60 -0.00 -0.36 0.00 0.00 0.00 175.10 175.38 1dby s PHE 80 N -0.82 2.23 -0.18 5.22 0.40 0.13 0.14 117.98 125.10 1dby s PHE 80 Ca 0.12 -0.74 -0.33 0.00 -0.60 0.00 0.00 56.93 55.39 1dby s PHE 80 Cb -0.11 -1.45 0.14 0.00 0.51 0.00 0.00 43.02 42.11 1dby s PHE 80 CO 0.02 0.31 1.16 -1.59 0.70 0.00 0.00 175.22 175.81 1dby s LYS 81 N -3.75 0.38 -1.36 0.44 0.00 -0.05 -0.32 119.74 115.07 1dby s LYS 81 Ca 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 55.97 56.24 1dby s LYS 81 Cb 0.07 0.18 0.00 0.00 0.00 0.00 0.00 37.83 38.08 1dby s LYS 81 CO 0.16 -0.15 0.00 0.41 0.00 0.00 0.00 175.35 175.77 1dby n GLY 82 N 0.12 -0.11 2.52 0.59 0.00 -1.25 -0.45 105.19 106.61 1dby n GLY 82 Ca -0.03 0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.39 0.80 3.46 -0.02 0.00 0.84 -4.97 105.19 102.90 1dby n GLY 83 Ca -0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.21 1.55 0.54 1.61 1.02 0.40 -4.96 119.74 117.70 1dby s LYS 84 Ca 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 55.97 54.44 1dby s LYS 84 Cb 0.00 0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1dby s LYS 84 CO 0.00 -0.62 0.86 0.21 -0.92 0.00 0.00 175.35 174.89 1dby s LYS 85 N -3.81 3.33 0.15 1.68 2.20 -1.26 -0.87 119.74 121.16 1dby s LYS 85 Ca 0.29 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1dby s LYS 85 Cb 0.01 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1dby s LYS 85 CO 0.13 -0.44 0.00 0.00 -0.36 0.00 0.00 175.35 174.68 1dby s GLU 87 N -1.69 2.24 -0.21 0.00 2.02 -1.11 -4.93 118.70 115.01 1dby s GLU 87 Ca 0.00 -1.54 -0.13 0.00 0.02 0.00 0.00 54.97 53.32 1dby s GLU 87 Cb 0.00 -2.09 0.06 0.00 0.10 0.00 0.00 34.13 32.20 1dby s GLU 87 CO 0.00 0.25 0.52 -0.08 0.02 0.00 0.00 175.26 175.97 1dby s THR 88 N -2.40 -0.01 -0.13 3.63 -1.32 -1.26 -1.02 115.64 113.13 1dby s THR 88 Ca 0.34 0.05 -0.04 0.00 -1.21 0.00 0.00 61.69 60.83 1dby s THR 88 Cb -0.04 -0.76 0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1dby s THR 88 CO 0.20 0.02 0.09 -0.63 -2.21 0.00 0.00 174.62 172.10 1dby s ILE 89 N 1.32 -0.12 -0.11 5.08 1.01 0.12 -4.97 121.20 123.53 1dby s ILE 89 Ca -0.08 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1dby s ILE 89 Cb -0.07 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1dby s ILE 89 CO -0.13 -0.12 0.18 -0.63 0.00 0.00 0.00 174.94 174.24 1dby s ILE 90 N 2.17 5.44 0.00 2.92 1.01 -1.26 -0.38 121.20 131.10 1dby s ILE 90 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1dby s ILE 90 Cb -0.15 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1dby s ILE 90 CO -0.07 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1dby n GLY 91 N 2.06 2.13 3.33 6.18 0.00 0.31 -4.82 105.19 114.38 1dby n GLY 91 Ca -0.19 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 1.97 2.92 -1.78 4.61 0.00 -1.26 -4.75 120.51 122.21 1dby n ALA 92 Ca 0.00 -3.31 -0.36 0.00 0.00 0.00 0.00 53.44 49.76 1dby n ALA 92 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 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 7.24 4.10 0.84 0.00 -7.23 -1.26 -5.02 120.40 119.07 1dby s VAL 93 Ca 0.61 1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 62.32 1dby s VAL 93 Cb 0.07 -3.89 0.10 0.00 0.56 0.00 0.00 36.38 33.22 1dby s VAL 93 CO 0.10 0.06 1.17 -2.84 -0.31 0.00 0.00 175.10 173.29 1dby s PRO 94 N -2.27 1.49 0.25 4.82 0.02 -1.26 -4.74 135.00 133.31 1dby s PRO 94 Ca 0.53 1.63 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 1dby s PRO 94 Cb -0.19 -1.77 0.35 0.00 0.02 0.00 0.00 34.50 32.91 1dby s PRO 94 CO 0.24 -2.30 1.58 -0.22 -0.33 0.00 0.00 177.00 175.97 1dby h LYS 95 N -1.23 -0.01 -0.88 5.54 3.64 -1.96 0.15 116.57 121.82 1dby h LYS 95 Ca -0.45 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.16 1dby h LYS 95 Cb 1.28 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.97 1dby h LYS 95 CO 0.45 -0.01 0.28 0.00 -2.27 0.00 0.00 179.45 177.90 1dby h ALA 96 N 1.73 1.32 -0.07 5.00 0.00 -1.99 0.26 119.26 125.53 1dby h ALA 96 Ca 0.40 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 1dby h ALA 96 Cb 0.64 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1dby h ALA 96 CO -0.91 -0.45 -0.05 1.15 0.00 0.00 0.00 179.25 178.99 1dby h THR 97 N 0.25 1.35 0.04 0.00 2.02 -1.04 -2.08 112.91 113.44 1dby h THR 97 Ca 0.56 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1dby h THR 97 Cb 1.11 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.45 1dby h THR 97 CO -0.62 0.32 -0.26 0.40 0.37 0.00 0.00 175.52 175.72 1dby h ILE 98 N -0.26 0.41 -0.17 3.11 2.04 -0.56 0.47 117.51 122.54 1dby h ILE 98 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1dby h ILE 98 Cb 0.53 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1dby h ILE 98 CO 0.01 0.00 -0.29 0.58 0.00 0.00 0.00 178.15 178.46 1dby h VAL 99 N -0.42 0.00 -0.29 1.67 2.07 -0.61 0.39 116.25 119.05 1dby h VAL 99 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1dby h VAL 99 Cb 0.49 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1dby h VAL 99 CO -0.21 0.00 0.01 1.56 0.02 0.00 0.00 177.57 178.95 1dby h GLN 100 N -0.23 0.10 0.02 1.57 4.20 -1.19 0.74 115.11 120.32 1dby h GLN 100 Ca 0.03 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1dby h GLN 100 Cb 0.32 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1dby h GLN 100 CO -0.28 0.06 -0.14 1.15 -0.67 0.00 0.00 178.83 178.95 1dby h THR 101 N 0.10 0.67 -0.30 -0.54 2.02 -0.51 -1.89 112.91 112.46 1dby h THR 101 Ca 0.14 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.19 1dby h THR 101 Cb 0.18 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1dby h THR 101 CO -0.23 0.00 -0.32 1.62 0.37 0.00 0.00 175.52 176.96 1dby h VAL 102 N -0.24 1.30 -0.92 3.16 3.04 -0.70 -3.08 116.25 118.80 1dby h VAL 102 Ca 0.04 -1.50 0.18 0.00 -1.01 0.00 0.00 66.70 64.41 1dby h VAL 102 Cb 0.29 1.57 -0.08 0.00 -2.01 0.00 0.00 31.29 31.06 1dby h VAL 102 CO -0.12 0.48 0.59 -0.33 -1.01 0.00 0.00 177.57 177.19 1dby h GLU 103 N 0.51 0.57 -0.78 4.17 5.08 -0.65 0.19 114.58 123.66 1dby h GLU 103 Ca 0.04 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1dby h GLU 103 Cb 0.90 -0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.90 1dby h GLU 103 CO 0.08 0.38 0.11 -0.22 -1.00 0.00 0.00 179.01 178.35 1dby h LYS 104 N 0.58 0.17 0.12 2.33 3.64 -1.25 -1.02 116.57 121.13 1dby h LYS 104 Ca 0.48 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.54 1dby h LYS 104 Cb 0.94 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1dby h LYS 104 CO -0.22 0.11 -1.65 1.88 -2.27 0.00 0.00 179.45 177.29 1dby h TYR 105 N 0.17 0.44 -2.84 1.91 0.05 -0.90 -3.42 116.97 112.39 1dby h TYR 105 Ca 0.45 -0.32 -0.61 0.00 0.05 0.00 0.00 58.73 58.30 1dby h TYR 105 Cb 0.82 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.14 1dby h TYR 105 CO -0.34 1.65 -0.75 -0.51 -1.05 0.00 0.00 178.16 177.16 1dby s LEU 106 N -7.37 3.08 0.00 3.88 1.02 0.26 -5.15 118.68 114.40 1dby s LEU 106 Ca -0.21 -3.21 0.14 0.00 0.02 0.00 0.00 54.13 50.87 1dby s LEU 106 Cb 0.06 -1.07 0.82 0.00 0.02 0.00 0.00 46.19 46.02 1dby s LEU 106 CO 0.76 -0.17 1.25 -0.46 0.02 0.00 0.00 176.35 177.74