#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fau s LEU 11 N 0.00 3.74 -0.46 -3.43 2.96 0.15 -4.91 118.68 116.74 3fau s LEU 11 Ca 0.00 0.44 -0.19 0.00 -0.22 0.00 0.00 54.13 54.17 3fau s LEU 11 Cb 0.00 -3.47 0.04 0.00 0.50 0.00 0.00 46.19 43.26 3fau s LEU 11 CO 0.00 -1.17 0.56 -0.62 -1.32 0.00 0.00 176.35 173.80 3fau s ASP 12 N 2.34 6.24 0.00 3.68 -1.08 -1.26 -0.81 116.67 125.78 3fau s ASP 12 Ca 0.45 -0.68 0.18 0.00 -0.52 0.00 0.00 52.55 51.97 3fau s ASP 12 Cb -0.08 -2.27 -0.03 0.00 -1.46 0.00 0.00 42.92 39.07 3fau s ASP 12 CO 0.29 -0.75 0.88 0.18 0.52 0.00 0.00 175.17 176.29 3fau n LEU 13 N 5.98 1.59 -4.77 -1.34 4.77 0.16 -4.95 117.00 118.43 3fau n LEU 13 Ca -0.06 -0.72 -0.40 0.00 -0.03 0.00 0.00 56.01 54.80 3fau n LEU 13 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 3fau n LEU 13 CO 0.51 0.31 1.07 -1.38 -1.33 0.00 0.00 177.39 176.57 3fau s HIS 14 N -2.13 2.58 0.00 -1.77 -3.43 -1.15 -2.91 115.29 106.48 3fau s HIS 14 Ca 0.13 1.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.66 3fau s HIS 14 Cb 0.14 -3.90 0.00 0.00 -1.43 0.00 0.00 32.58 27.39 3fau s HIS 14 CO 0.48 -2.77 0.00 0.41 -2.00 0.00 0.00 174.74 170.86 3fau n GLY 15 N 0.57 1.38 3.87 -1.38 0.00 -1.26 -5.02 105.19 103.35 3fau n GLY 15 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3fau n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fau s LEU 16 N 0.00 3.63 0.50 0.99 1.43 -1.15 -5.04 118.68 119.04 3fau s LEU 16 Ca 0.00 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.15 3fau s LEU 16 Cb 0.00 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 3fau s LEU 16 CO 0.00 -0.57 1.38 -2.28 0.23 0.00 0.00 176.35 175.11 3fau s HIS 17 N -2.65 2.40 0.20 0.29 5.65 -1.26 -4.80 115.29 115.12 3fau s HIS 17 Ca 0.54 1.34 -0.11 0.00 0.25 0.00 0.00 55.06 57.07 3fau s HIS 17 Cb -0.10 -3.83 0.17 0.00 -1.18 0.00 0.00 32.58 27.64 3fau s HIS 17 CO 0.38 -2.82 1.83 -0.24 -0.65 0.00 0.00 174.74 173.23 3fau h VAL 18 N 1.86 1.06 -0.22 0.89 3.04 -1.96 -0.74 116.25 120.18 3fau h VAL 18 Ca -0.51 -0.26 -0.09 0.00 -1.01 0.00 0.00 66.70 64.84 3fau h VAL 18 Cb 1.28 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3fau h VAL 18 CO 0.59 0.14 -0.24 0.44 -1.01 0.00 0.00 177.57 177.49 3fau h ASP 19 N 0.75 0.41 0.11 3.17 3.32 -1.97 -0.18 116.42 122.04 3fau h ASP 19 Ca 0.26 -0.13 -0.24 0.00 0.02 0.00 0.00 57.03 56.94 3fau h ASP 19 Cb 0.05 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.50 3fau h ASP 19 CO -0.12 0.65 -0.92 1.05 -1.72 0.00 0.00 179.24 178.18 3fau h GLU 20 N 0.37 0.59 -0.63 3.56 4.11 -1.83 -2.03 114.58 118.73 3fau h GLU 20 Ca 0.06 -0.58 0.02 0.00 0.07 0.00 0.00 59.36 58.93 3fau h GLU 20 Cb 0.62 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3fau h GLU 20 CO 0.04 1.20 0.39 0.00 0.07 0.00 0.00 179.01 180.72 3fau h ALA 21 N 0.61 0.81 -0.16 1.06 0.00 -0.90 -1.99 119.26 118.69 3fau h ALA 21 Ca -0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3fau h ALA 21 Cb 1.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3fau h ALA 21 CO 0.17 0.15 -0.41 -0.07 0.00 0.00 0.00 179.25 179.10 3fau h LEU 22 N 0.78 0.38 -0.30 0.00 3.38 -1.02 -1.56 115.31 116.96 3fau h LEU 22 Ca 0.25 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3fau h LEU 22 Cb -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fau h LEU 22 CO -0.09 0.75 -0.05 -0.08 0.09 0.00 0.00 178.44 179.06 3fau h GLU 23 N 0.30 0.57 -0.04 1.13 4.81 -1.14 -1.79 114.58 118.41 3fau h GLU 23 Ca 0.03 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3fau h GLU 23 Cb 0.85 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3fau h GLU 23 CO 0.07 0.75 -0.03 0.45 -0.73 0.00 0.00 179.01 179.52 3fau h HIS 24 N 0.34 -0.06 -0.54 0.92 3.86 -1.24 -1.10 115.15 117.34 3fau h HIS 24 Ca 0.08 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.40 3fau h HIS 24 Cb 0.52 0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.92 3fau h HIS 24 CO 0.05 -0.04 -0.16 1.25 0.86 0.00 0.00 177.93 179.89 3fau h LEU 25 N -0.03 -0.57 -0.17 2.43 5.85 -1.15 0.21 115.31 121.87 3fau h LEU 25 Ca 0.03 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3fau h LEU 25 Cb 0.07 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3fau h LEU 25 CO -0.06 -0.20 0.01 0.24 -0.34 0.00 0.00 178.44 178.10 3fau h MET 26 N -0.03 0.30 -0.29 1.25 2.86 -1.11 0.10 114.93 118.01 3fau h MET 26 Ca 0.26 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 3fau h MET 26 Cb 0.42 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3fau h MET 26 CO -0.57 0.50 0.07 -0.09 1.06 0.00 0.00 176.91 177.88 3fau h ARG 27 N 0.06 0.18 -0.17 1.72 2.43 -0.89 -1.68 114.38 116.05 3fau h ARG 27 Ca 0.05 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3fau h ARG 27 Cb 0.35 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3fau h ARG 27 CO 0.01 0.12 -0.37 0.28 -1.51 0.00 0.00 179.97 178.50 3fau h VAL 28 N 0.19 1.35 -0.77 0.20 2.07 -0.52 -1.50 116.25 117.25 3fau h VAL 28 Ca 0.13 -1.62 0.09 0.00 0.82 0.00 0.00 66.70 66.13 3fau h VAL 28 Cb 0.13 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.79 3fau h VAL 28 CO -0.16 0.49 0.42 -0.07 0.02 0.00 0.00 177.57 178.27 3fau h LEU 29 N 0.19 0.59 -0.27 2.57 3.38 -0.95 0.10 115.31 120.92 3fau h LEU 29 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3fau h LEU 29 Cb 0.97 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3fau h LEU 29 CO 0.08 0.34 0.02 -0.33 0.09 0.00 0.00 178.44 178.64 3fau h GLU 30 N 0.71 0.45 -0.30 1.13 4.39 -1.11 -0.69 114.58 119.18 3fau h GLU 30 Ca 0.38 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.99 3fau h GLU 30 Cb 0.36 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3fau h GLU 30 CO -0.25 0.60 0.04 0.87 -1.16 0.00 0.00 179.01 179.10 3fau h LYS 31 N 0.25 0.13 -0.30 2.33 6.56 -0.96 -1.95 116.57 122.64 3fau h LYS 31 Ca 0.08 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.57 3fau h LYS 31 Cb 0.38 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 3fau h LYS 31 CO 0.01 0.09 -0.20 0.87 -2.06 0.00 0.00 179.45 178.16 3fau h LYS 32 N 0.14 0.55 -0.43 3.15 1.79 -0.71 -0.79 116.57 120.27 3fau h LYS 32 Ca 0.14 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 3fau h LYS 32 Cb 0.16 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3fau h LYS 32 CO -0.20 0.72 0.02 1.15 -1.08 0.00 0.00 179.45 180.06 3fau h THR 33 N 0.50 1.26 -0.66 -0.16 2.02 -0.91 0.12 112.91 115.07 3fau h THR 33 Ca 0.08 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 3fau h THR 33 Cb 0.62 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 3fau h THR 33 CO 0.04 0.34 0.31 -0.08 0.37 0.00 0.00 175.52 176.50 3fau h GLU 34 N 0.60 0.96 -0.84 6.66 4.57 -1.10 -1.61 114.58 123.81 3fau h GLU 34 Ca 0.13 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3fau h GLU 34 Cb 0.45 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3fau h GLU 34 CO 0.02 0.77 0.42 0.93 -1.18 0.00 0.00 179.01 179.97 3fau h GLU 35 N 0.92 1.19 -0.74 1.92 5.08 -0.92 -1.75 114.58 120.28 3fau h GLU 35 Ca 0.23 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3fau h GLU 35 Cb 0.13 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3fau h GLU 35 CO -0.03 0.90 0.38 0.35 -1.00 0.00 0.00 179.01 179.61 3fau h PHE 36 N 1.18 1.03 0.04 4.33 -0.00 -0.49 0.25 116.94 123.28 3fau h PHE 36 Ca 0.29 -0.03 -0.26 0.00 -0.00 0.00 0.00 57.97 57.97 3fau h PHE 36 Cb 0.09 -0.33 -0.03 0.00 -0.00 0.00 0.00 35.95 35.69 3fau h PHE 36 CO 0.01 0.73 -1.34 0.87 -0.00 0.00 0.00 178.31 178.59 3fau h LYS 37 N 1.04 0.08 0.00 1.11 1.79 -1.01 -3.37 116.57 116.21 3fau h LYS 37 Ca 0.26 -0.14 -0.32 0.00 -2.18 0.00 0.00 60.65 58.27 3fau h LYS 37 Cb 0.07 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 3fau h LYS 37 CO -0.04 0.91 -2.07 1.04 -1.08 0.00 0.00 179.45 178.21 3fau n GLN 38 N -3.31 0.66 -0.88 3.15 1.13 -0.68 -4.97 117.38 112.48 3fau n GLN 38 Ca -0.09 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3fau n GLN 38 Cb 1.00 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.71 3fau n GLN 38 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3fau n ASN 39 N -2.85 1.37 0.00 1.08 4.13 0.07 -5.09 115.26 113.97 3fau n ASN 39 Ca -0.25 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.49 3fau n ASN 39 Cb 1.09 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.33 3fau n ASN 39 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fau n GLY 40 N 5.00 1.22 5.64 7.41 0.00 -1.26 -4.62 105.19 118.58 3fau n GLY 40 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3fau n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fau n GLY 41 N 5.00 -1.71 3.73 -0.02 0.00 -1.26 -4.32 105.19 106.61 3fau n GLY 41 Ca 0.00 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 3fau n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fau s LYS 42 N 0.00 4.54 0.00 1.61 1.02 -1.26 -4.92 119.74 120.72 3fau s LYS 42 Ca 0.00 1.69 0.17 0.00 0.02 0.00 0.00 55.97 57.85 3fau s LYS 42 Cb 0.00 -3.33 1.00 0.00 -0.52 0.00 0.00 37.83 34.99 3fau s LYS 42 CO 0.00 -0.05 1.65 -0.35 -0.92 0.00 0.00 175.35 175.68 3fau n PRO 43 N 3.11 1.06 -4.28 -1.68 -0.04 -1.26 -4.76 135.00 127.15 3fau n PRO 43 Ca 0.05 -0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.28 3fau n PRO 43 Cb 0.47 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 3fau n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3fau s TYR 44 N -1.98 1.39 -0.07 0.54 1.13 -1.26 -0.86 117.35 116.24 3fau s TYR 44 Ca 0.26 -1.21 0.01 0.00 -1.41 0.00 0.00 57.07 54.72 3fau s TYR 44 Cb 0.12 -0.78 0.02 0.00 -1.10 0.00 0.00 41.96 40.22 3fau s TYR 44 CO 0.20 -0.40 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.59 3fau s LEU 45 N -3.25 1.37 0.06 -3.49 2.96 0.77 -4.88 118.68 112.23 3fau s LEU 45 Ca 0.36 -0.23 -0.21 0.00 -0.22 0.00 0.00 54.13 53.83 3fau s LEU 45 Cb 0.07 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 46.01 3fau s LEU 45 CO 0.12 -0.04 0.63 -0.94 -1.32 0.00 0.00 176.35 174.79 3fau s SER 46 N 1.07 7.10 -0.06 3.68 1.04 -1.26 -0.54 113.70 124.73 3fau s SER 46 Ca -0.08 1.31 0.01 0.00 0.48 0.00 0.00 55.95 57.68 3fau s SER 46 Cb -0.14 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.60 3fau s SER 46 CO -0.01 0.19 -0.08 -0.69 0.98 0.00 0.00 173.24 173.64 3fau s VAL 47 N -0.75 0.81 -0.29 5.02 1.01 0.37 -0.68 120.40 125.90 3fau s VAL 47 Ca 0.32 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 3fau s VAL 47 Cb -0.20 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3fau s VAL 47 CO 0.20 0.29 0.37 -0.63 0.00 0.00 0.00 175.10 175.33 3fau s ILE 48 N 0.96 5.17 -0.01 2.22 1.01 0.01 -0.52 121.20 130.05 3fau s ILE 48 Ca -0.10 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.07 3fau s ILE 48 Cb -0.15 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 3fau s ILE 48 CO 0.00 0.09 0.16 0.35 0.00 0.00 0.00 174.94 175.54 3fau n THR 49 N 5.16 0.02 0.00 2.92 -2.24 0.04 -0.67 114.28 119.51 3fau n THR 49 Ca -0.09 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3fau n THR 49 Cb 0.50 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3fau n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fau n GLY 50 N 2.10 -1.31 0.72 3.38 0.00 -1.15 -3.79 105.19 105.14 3fau n GLY 50 Ca -0.02 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.51 3fau n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fau n ARG 51 N -1.55 1.79 -1.69 1.61 1.74 -1.26 -4.36 116.66 112.93 3fau n ARG 51 Ca 0.00 -1.47 -0.44 0.00 -0.77 0.00 0.00 57.85 55.17 3fau n ARG 51 Cb 0.00 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 3fau n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fau n GLY 52 N 1.31 1.47 0.05 -0.13 0.00 -1.26 -4.92 105.19 101.71 3fau n GLY 52 Ca 0.11 0.69 0.05 0.00 0.00 0.00 0.00 46.02 46.87 3fau n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fau n ASN 53 N 4.65 0.19 -4.82 1.61 5.03 -1.26 -4.27 115.26 116.38 3fau n ASN 53 Ca 0.18 0.08 -0.22 0.00 0.87 0.00 0.00 54.58 55.48 3fau n ASN 53 Cb 0.34 1.41 -0.04 0.00 -1.02 0.00 0.00 39.78 40.46 3fau n ASN 53 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3fau s HIS 54 N -3.20 3.11 0.85 3.10 3.76 -1.26 -4.68 115.29 116.96 3fau s HIS 54 Ca -0.07 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 3fau s HIS 54 Cb 0.11 -1.40 0.10 0.00 1.11 0.00 0.00 32.58 32.50 3fau s HIS 54 CO 0.87 0.52 1.09 -1.54 -0.85 0.00 0.00 174.74 174.83 3fau s SER 55 N -3.84 3.94 -0.22 1.40 1.04 -1.26 -3.51 113.70 111.25 3fau s SER 55 Ca 0.33 1.47 -0.01 0.00 0.48 0.00 0.00 55.95 58.22 3fau s SER 55 Cb -0.08 -2.18 0.06 0.00 0.10 0.00 0.00 66.02 63.92 3fau s SER 55 CO 0.25 -2.34 -0.02 -1.58 0.98 0.00 0.00 173.24 170.53 3fau s GLN 56 N -5.00 1.23 -1.20 4.02 0.74 -0.10 -4.68 119.66 114.66 3fau s GLN 56 Ca 0.62 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 55.28 3fau s GLN 56 Cb -0.17 -2.38 0.00 0.00 1.10 0.00 0.00 33.01 31.57 3fau s GLN 56 CO 0.56 -0.61 0.07 0.41 -0.55 0.00 0.00 175.29 175.17 3fau n GLY 57 N 4.83 -0.21 3.01 2.59 0.00 -1.26 -2.29 105.19 111.86 3fau n GLY 57 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3fau n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fau n GLY 58 N -1.06 1.52 3.59 -0.02 0.00 -1.26 -5.01 105.19 102.95 3fau n GLY 58 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3fau n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fau s VAL 59 N -3.70 5.25 0.19 1.61 1.01 -0.97 -4.98 120.40 118.81 3fau s VAL 59 Ca 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 61.98 61.92 3fau s VAL 59 Cb 0.00 -3.63 -0.14 0.00 0.00 0.00 0.00 36.38 32.61 3fau s VAL 59 CO 0.00 0.17 1.51 0.00 0.00 0.00 0.00 175.10 176.78 3fau n ALA 60 N 5.19 1.22 -0.87 5.51 0.00 -1.26 -0.93 120.51 129.37 3fau n ALA 60 Ca -0.12 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 3fau n ALA 60 Cb 0.51 -2.32 0.23 0.00 0.00 0.00 0.00 19.45 17.87 3fau n ALA 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fau s ARG 61 N 0.42 -0.67 0.13 0.00 0.52 -1.23 -4.75 118.95 113.37 3fau s ARG 61 Ca 0.75 0.48 -0.15 0.00 -0.52 0.00 0.00 55.73 56.29 3fau s ARG 61 Cb -0.67 -1.61 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 3fau s ARG 61 CO 0.42 -3.46 1.62 0.82 0.02 0.00 0.00 175.30 174.72 3fau h ILE 62 N -2.42 1.23 0.10 1.52 1.08 -1.87 -1.48 117.51 115.66 3fau h ILE 62 Ca -0.55 -0.81 0.01 0.00 -0.39 0.00 0.00 64.86 63.12 3fau h ILE 62 Cb 1.33 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.06 3fau h ILE 62 CO 0.50 0.28 -0.17 0.50 -0.69 0.00 0.00 178.15 178.57 3fau h LYS 63 N 0.50 -0.31 -0.81 2.37 3.64 -1.75 -0.13 116.57 120.09 3fau h LYS 63 Ca 0.12 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3fau h LYS 63 Cb 0.33 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3fau h LYS 63 CO 0.00 -0.21 0.37 -1.35 -2.27 0.00 0.00 179.45 176.00 3fau h PRO 64 N -0.32 1.17 -0.44 1.90 0.11 -1.73 0.04 132.00 132.72 3fau h PRO 64 Ca 0.02 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 65.96 3fau h PRO 64 Cb 0.34 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3fau h PRO 64 CO -0.09 0.91 0.29 0.00 -0.21 0.00 0.00 178.00 178.89 3fau h ALA 65 N 1.25 0.56 -0.11 -0.75 0.00 -0.93 0.21 119.26 119.49 3fau h ALA 65 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3fau h ALA 65 Cb 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fau h ALA 65 CO -0.03 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.45 3fau h VAL 66 N 0.59 1.32 -0.53 0.00 2.07 -0.83 -2.13 116.25 116.73 3fau h VAL 66 Ca 0.17 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 3fau h VAL 66 Cb -0.05 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3fau h VAL 66 CO -0.04 0.30 -0.03 0.40 0.02 0.00 0.00 177.57 178.21 3fau h ILE 67 N -0.13 1.27 -0.60 4.57 2.04 -0.86 0.21 117.51 124.00 3fau h ILE 67 Ca 0.02 -1.16 0.07 0.00 1.00 0.00 0.00 64.86 64.80 3fau h ILE 67 Cb 0.50 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3fau h ILE 67 CO 0.01 0.41 0.29 0.11 0.00 0.00 0.00 178.15 178.98 3fau h LYS 68 N 0.83 0.52 -0.24 2.37 1.57 -0.62 0.33 116.57 121.33 3fau h LYS 68 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3fau h LYS 68 Cb 0.58 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3fau h LYS 68 CO 0.03 0.35 0.14 -0.92 -0.57 0.00 0.00 179.45 178.48 3fau h TYR 69 N 0.54 0.33 -0.25 -1.35 3.20 -0.85 -0.32 116.97 118.27 3fau h TYR 69 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3fau h TYR 69 Cb 0.25 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3fau h TYR 69 CO -0.11 0.27 0.12 -0.07 -1.64 0.00 0.00 178.16 176.72 3fau h LEU 70 N 0.29 0.32 -0.28 2.82 3.38 -0.45 -1.47 115.31 119.93 3fau h LEU 70 Ca 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fau h LEU 70 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3fau h LEU 70 CO -0.01 0.35 0.15 0.40 0.09 0.00 0.00 178.44 179.42 3fau h ILE 71 N 0.27 1.12 0.00 1.22 2.04 -0.85 -0.70 117.51 120.61 3fau h ILE 71 Ca 0.09 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3fau h ILE 71 Cb 0.12 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3fau h ILE 71 CO -0.01 0.12 -0.01 0.28 0.00 0.00 0.00 178.15 178.53 3fau h SER 72 N 0.34 0.00 -0.30 1.72 0.02 -0.86 -2.64 113.55 111.83 3fau h SER 72 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3fau h SER 72 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3fau h SER 72 CO -0.02 0.01 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 3fau n HIS 73 N -3.92 0.94 -2.71 3.45 8.25 -0.57 -4.97 115.22 115.69 3fau n HIS 73 Ca -0.03 -0.79 -0.18 0.00 -0.26 0.00 0.00 57.72 56.46 3fau n HIS 73 Cb 0.10 -0.27 0.02 0.00 1.12 0.00 0.00 29.99 30.95 3fau n HIS 73 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3fau n SER 74 N -0.21 -5.20 -4.74 0.41 7.64 -0.93 -4.99 113.62 105.59 3fau n SER 74 Ca 0.20 -0.17 -0.40 0.00 1.01 0.00 0.00 58.87 59.51 3fau n SER 74 Cb 0.83 -4.12 -0.05 0.00 -1.01 0.00 0.00 64.21 59.86 3fau n SER 74 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3fau s PHE 75 N -3.00 3.70 0.12 1.43 0.08 -0.31 -5.04 117.98 114.95 3fau s PHE 75 Ca 0.17 1.42 -0.30 0.00 0.12 0.00 0.00 56.93 58.34 3fau s PHE 75 Cb -0.08 -2.81 -0.06 0.00 -0.57 0.00 0.00 43.02 39.50 3fau s PHE 75 CO 0.21 0.24 0.98 1.03 -0.10 0.00 0.00 175.22 177.58 3fau s ARG 76 N 0.13 4.68 0.17 0.44 0.52 -1.26 -4.61 118.95 119.02 3fau s ARG 76 Ca 0.38 1.48 -0.15 0.00 -0.52 0.00 0.00 55.73 56.93 3fau s ARG 76 Cb -0.20 -3.37 0.02 0.00 0.52 0.00 0.00 34.95 31.92 3fau s ARG 76 CO 0.22 0.19 0.42 -0.59 0.02 0.00 0.00 175.30 175.56 3fau s PHE 77 N -0.00 0.01 0.22 -0.53 -0.71 -1.26 -1.22 117.98 114.48 3fau s PHE 77 Ca 0.47 -0.36 -0.11 0.00 -1.04 0.00 0.00 56.93 55.89 3fau s PHE 77 Cb -0.24 0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 3fau s PHE 77 CO 0.30 -0.81 0.39 -1.54 -1.34 0.00 0.00 175.22 172.22 3fau s SER 78 N -2.89 -0.04 -0.13 1.98 1.04 -0.65 -4.99 113.70 108.03 3fau s SER 78 Ca 0.10 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.43 3fau s SER 78 Cb 0.01 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3fau s SER 78 CO -0.04 -1.03 0.39 -0.70 0.98 0.00 0.00 173.24 172.84 3fau s GLU 79 N -4.01 4.26 -0.12 4.02 2.12 -1.26 -0.57 118.70 123.14 3fau s GLU 79 Ca 0.22 0.29 -0.22 0.00 0.36 0.00 0.00 54.97 55.62 3fau s GLU 79 Cb 0.01 -3.41 -0.27 0.00 0.26 0.00 0.00 34.13 30.72 3fau s GLU 79 CO 0.06 0.24 0.65 0.82 -0.54 0.00 0.00 175.26 176.49 3fau h ILE 80 N 4.62 1.36 -2.85 -3.70 2.04 -1.26 -3.46 117.51 114.26 3fau h ILE 80 Ca -0.42 -2.38 0.06 0.00 1.00 0.00 0.00 64.86 63.12 3fau h ILE 80 Cb 1.18 2.95 -0.08 0.00 -0.74 0.00 0.00 36.82 40.13 3fau h ILE 80 CO 0.74 0.61 0.28 -1.59 0.00 0.00 0.00 178.15 178.20 3fau s LYS 81 N -2.37 1.48 0.14 2.37 -2.85 -1.18 -5.05 119.74 112.28 3fau s LYS 81 Ca -0.20 -0.73 -0.34 0.00 -1.00 0.00 0.00 55.97 53.70 3fau s LYS 81 Cb 0.02 0.56 -0.14 0.00 -2.06 0.00 0.00 37.83 36.20 3fau s LYS 81 CO 0.73 -0.67 1.58 -2.30 0.10 0.00 0.00 175.35 174.80 3fau n PRO 82 N -0.42 2.09 -0.71 1.78 -0.02 -1.26 -1.00 135.00 135.45 3fau n PRO 82 Ca -0.09 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3fau n PRO 82 Cb 0.61 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3fau n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fau n GLY 83 N 3.43 0.79 2.72 -1.23 0.00 -1.26 -4.89 105.19 104.74 3fau n GLY 83 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3fau n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fau s LEU 85 N 2.01 3.51 -0.31 0.00 1.43 0.33 -0.74 118.68 124.90 3fau s LEU 85 Ca 0.04 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3fau s LEU 85 Cb -0.12 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3fau s LEU 85 CO -0.04 0.23 0.20 -0.75 0.23 0.00 0.00 176.35 176.22 3fau s LYS 86 N -1.93 3.60 -0.21 1.70 2.20 0.26 -0.48 119.74 124.88 3fau s LYS 86 Ca 0.23 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.23 3fau s LYS 86 Cb -0.12 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3fau s LYS 86 CO 0.14 -0.36 -0.01 0.08 -0.36 0.00 0.00 175.35 174.85 3fau s VAL 87 N 1.71 3.77 0.07 4.02 1.01 0.29 -1.64 120.40 129.63 3fau s VAL 87 Ca 0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3fau s VAL 87 Cb -0.17 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3fau s VAL 87 CO 0.10 0.42 1.07 -0.04 0.00 0.00 0.00 175.10 176.65 3fau s MET 88 N 1.18 4.54 0.44 2.72 1.00 -0.36 -0.16 119.30 128.67 3fau s MET 88 Ca 0.03 1.59 -0.18 0.00 0.00 0.00 0.00 55.69 57.12 3fau s MET 88 Cb -0.15 -3.38 -0.10 0.00 0.00 0.00 0.00 34.83 31.21 3fau s MET 88 CO 0.01 -0.06 0.93 -0.51 0.00 0.00 0.00 175.02 175.39 3fau s LEU 89 N 0.65 3.85 0.00 -0.03 1.43 -0.04 -4.54 118.68 119.99 3fau s LEU 89 Ca 0.53 1.58 0.32 0.00 -1.03 0.00 0.00 54.13 55.52 3fau s LEU 89 Cb -0.25 -4.45 1.86 0.00 0.03 0.00 0.00 46.19 43.37 3fau s LEU 89 CO 0.30 -0.42 2.20 0.29 0.23 0.00 0.00 176.35 178.95