#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 4.05 -0.40 -3.43 2.96 0.21 -4.92 118.68 117.15 3fau s LEU 11 Ca 0.00 1.38 -0.13 0.00 -0.22 0.00 0.00 54.13 55.16 3fau s LEU 11 Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3fau s LEU 11 CO 0.00 -0.82 0.27 -0.62 -1.32 0.00 0.00 176.35 173.87 3fau s ASP 12 N 1.83 5.95 0.00 3.68 2.15 -1.26 -0.49 116.67 128.53 3fau s ASP 12 Ca 0.50 -1.02 0.19 0.00 0.43 0.00 0.00 52.55 52.64 3fau s ASP 12 Cb -0.17 -2.10 0.03 0.00 -0.30 0.00 0.00 42.92 40.38 3fau s ASP 12 CO 0.14 -0.46 0.97 0.18 -0.17 0.00 0.00 175.17 175.83 3fau n LEU 13 N 5.09 1.94 -4.73 -1.34 4.77 -0.35 -4.98 117.00 117.40 3fau n LEU 13 Ca -0.11 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.64 3fau n LEU 13 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3fau n LEU 13 CO 0.40 0.36 1.28 -2.28 -1.33 0.00 0.00 177.39 175.81 3fau s HIS 14 N -2.00 2.88 0.00 -1.77 2.46 -1.21 -2.16 115.29 113.50 3fau s HIS 14 Ca 0.17 0.62 0.00 0.00 0.47 0.00 0.00 55.06 56.31 3fau s HIS 14 Cb 0.15 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 3fau s HIS 14 CO 0.42 -3.74 0.00 0.41 -2.47 0.00 0.00 174.74 169.35 3fau n GLY 15 N 3.09 1.19 3.84 1.59 0.00 -1.26 -5.04 105.19 108.60 3fau n GLY 15 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 4.25 0.63 0.99 1.43 -0.92 -5.06 118.68 120.01 3fau s LEU 16 Ca 0.00 1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 54.09 3fau s LEU 16 Cb 0.00 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3fau s LEU 16 CO 0.00 -0.01 1.28 -2.28 0.23 0.00 0.00 176.35 175.57 3fau s HIS 17 N -1.66 2.14 0.13 0.29 5.65 -1.26 -4.72 115.29 115.87 3fau s HIS 17 Ca 0.44 1.49 -0.19 0.00 0.25 0.00 0.00 55.06 57.05 3fau s HIS 17 Cb -0.14 -3.66 -0.00 0.00 -1.18 0.00 0.00 32.58 27.60 3fau s HIS 17 CO 0.20 -2.79 1.70 -0.24 -0.65 0.00 0.00 174.74 172.96 3fau h VAL 18 N 0.63 0.78 -0.58 0.89 3.04 -1.97 0.75 116.25 119.79 3fau h VAL 18 Ca -0.51 -0.01 0.04 0.00 -1.01 0.00 0.00 66.70 65.22 3fau h VAL 18 Cb 1.33 0.76 -0.05 0.00 -2.01 0.00 0.00 31.29 31.32 3fau h VAL 18 CO 0.54 0.00 0.32 0.44 -1.01 0.00 0.00 177.57 177.86 3fau h ASP 19 N 0.02 0.49 -0.20 3.17 3.45 -1.99 0.27 116.42 121.63 3fau h ASP 19 Ca 0.11 0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.50 3fau h ASP 19 Cb 0.17 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3fau h ASP 19 CO -0.23 0.33 -0.25 -0.33 -1.57 0.00 0.00 179.24 177.19 3fau h GLU 20 N 0.62 0.53 -0.40 3.56 3.07 -1.84 -1.86 114.58 118.27 3fau h GLU 20 Ca 0.25 -0.30 0.06 0.00 -0.50 0.00 0.00 59.36 58.88 3fau h GLU 20 Cb 0.12 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 3fau h GLU 20 CO -0.15 0.89 0.07 0.00 -1.40 0.00 0.00 179.01 178.42 3fau h ALA 21 N 0.63 0.42 -0.42 3.43 0.00 -0.58 -0.96 119.26 121.78 3fau h ALA 21 Ca 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3fau h ALA 21 Cb 0.82 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3fau h ALA 21 CO 0.06 -0.34 0.14 -0.07 0.00 0.00 0.00 179.25 179.05 3fau h LEU 22 N 0.19 0.61 -0.53 0.00 3.38 -0.89 -0.58 115.31 117.48 3fau h LEU 22 Ca 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fau h LEU 22 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3fau h LEU 22 CO -0.27 0.64 0.33 -0.08 0.09 0.00 0.00 178.44 179.16 3fau h GLU 23 N 0.54 0.72 -0.49 1.13 4.81 -1.12 -0.97 114.58 119.20 3fau h GLU 23 Ca 0.14 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3fau h GLU 23 Cb 0.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3fau h GLU 23 CO -0.01 0.50 0.23 1.25 -0.73 0.00 0.00 179.01 180.26 3fau h HIS 24 N 0.72 0.70 -0.30 0.92 2.76 -0.92 -1.48 115.15 117.55 3fau h HIS 24 Ca 0.19 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3fau h HIS 24 Cb -0.04 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.67 3fau h HIS 24 CO -0.03 0.56 0.08 1.25 -1.30 0.00 0.00 177.93 178.50 3fau h LEU 25 N 0.64 0.07 -0.41 0.26 5.85 -0.94 0.11 115.31 120.89 3fau h LEU 25 Ca 0.17 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3fau h LEU 25 Cb 0.13 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3fau h LEU 25 CO -0.02 0.07 0.20 0.24 -0.34 0.00 0.00 178.44 178.59 3fau h MET 26 N 0.20 0.39 -0.42 1.25 2.86 -0.90 0.18 114.93 118.50 3fau h MET 26 Ca 0.14 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 3fau h MET 26 Cb 0.13 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3fau h MET 26 CO -0.16 0.26 -0.32 0.00 1.06 0.00 0.00 176.91 177.75 3fau h ARG 27 N 0.40 0.96 -0.18 1.72 3.08 -0.96 -1.34 114.38 118.05 3fau h ARG 27 Ca 0.18 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 3fau h ARG 27 Cb 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3fau h ARG 27 CO -0.13 1.13 -0.18 0.28 -1.07 0.00 0.00 179.97 180.00 3fau h VAL 28 N 0.79 1.33 -0.84 2.04 2.07 -0.65 -2.54 116.25 118.45 3fau h VAL 28 Ca 0.08 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3fau h VAL 28 Cb 0.91 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 3fau h VAL 28 CO 0.08 0.40 0.55 -0.07 0.02 0.00 0.00 177.57 178.55 3fau h LEU 29 N 0.11 0.98 -0.34 2.57 3.38 -0.95 0.93 115.31 121.98 3fau h LEU 29 Ca 0.03 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3fau h LEU 29 Cb 0.72 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3fau h LEU 29 CO 0.04 0.72 0.06 -0.08 0.09 0.00 0.00 178.44 179.27 3fau h GLU 30 N 1.15 0.17 -0.39 1.13 4.81 -1.16 0.38 114.58 120.67 3fau h GLU 30 Ca 0.31 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 3fau h GLU 30 Cb -0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3fau h GLU 30 CO -0.06 0.11 -0.37 0.87 -0.73 0.00 0.00 179.01 178.83 3fau h LYS 31 N 0.17 0.93 -0.43 1.92 1.57 -0.91 -1.69 116.57 118.14 3fau h LYS 31 Ca 0.16 -0.49 -0.12 0.00 -1.87 0.00 0.00 60.65 58.34 3fau h LYS 31 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3fau h LYS 31 CO -0.22 1.14 -0.20 0.87 -0.57 0.00 0.00 179.45 180.47 3fau h LYS 32 N 0.75 0.86 -0.29 3.15 1.79 -0.60 -1.03 116.57 121.19 3fau h LYS 32 Ca 0.06 -0.34 -0.16 0.00 -2.18 0.00 0.00 60.65 58.03 3fau h LYS 32 Cb 0.96 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 3fau h LYS 32 CO 0.09 0.98 -0.47 1.79 -1.08 0.00 0.00 179.45 180.77 3fau h THR 33 N 0.75 1.29 -0.49 -0.16 1.35 -0.24 -1.60 112.91 113.80 3fau h THR 33 Ca 0.10 -1.66 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3fau h THR 33 Cb 0.73 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 3fau h THR 33 CO 0.06 0.54 0.30 -0.08 -0.25 0.00 0.00 175.52 176.08 3fau h GLU 34 N 0.62 0.66 -0.40 4.72 4.57 -1.26 0.39 114.58 123.88 3fau h GLU 34 Ca 0.03 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3fau h GLU 34 Cb 1.04 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 3fau h GLU 34 CO 0.10 0.47 0.26 1.49 -1.18 0.00 0.00 179.01 180.16 3fau h GLU 35 N 0.65 0.51 -0.58 1.92 4.57 -1.03 -0.67 114.58 119.96 3fau h GLU 35 Ca 0.17 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 3fau h GLU 35 Cb -0.02 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3fau h GLU 35 CO -0.03 0.34 0.20 0.35 -1.18 0.00 0.00 179.01 178.69 3fau h PHE 36 N 0.53 0.91 -0.39 0.92 3.04 -1.10 0.85 116.94 121.70 3fau h PHE 36 Ca 0.15 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 3fau h PHE 36 Cb -0.05 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 3fau h PHE 36 CO -0.05 0.75 0.11 0.87 -2.02 0.00 0.00 178.31 177.97 3fau h LYS 37 N 0.80 0.57 0.00 1.11 1.57 -0.58 0.31 116.57 120.36 3fau h LYS 37 Ca 0.19 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.64 3fau h LYS 37 Cb 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3fau h LYS 37 CO -0.01 0.51 -1.41 1.96 -0.57 0.00 0.00 179.45 179.93 3fau h GLN 38 N 0.56 0.00 0.00 3.15 1.08 -0.87 -3.41 115.11 115.62 3fau h GLN 38 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3fau h GLN 38 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3fau h GLN 38 CO -0.01 0.61 0.00 0.09 -0.95 0.00 0.00 178.83 178.57 3fau n ASN 39 N -3.12 0.26 0.00 1.46 3.02 0.27 -5.09 115.26 112.06 3fau n ASN 39 Ca -0.10 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3fau n ASN 39 Cb 0.98 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.50 3fau n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fau n GLY 40 N 0.35 0.78 1.72 7.41 0.00 0.11 -4.99 105.19 110.56 3fau n GLY 40 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.27 3.62 -0.02 0.00 -1.26 -4.52 105.19 103.28 3fau n GLY 41 Ca 0.00 -1.58 -0.53 0.00 0.00 0.00 0.00 46.02 43.91 3fau n GLY 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fau n LYS 42 N 1.09 1.44 -0.26 1.61 4.81 -1.26 -4.84 118.16 120.75 3fau n LYS 42 Ca 0.00 0.50 0.07 0.00 -0.87 0.00 0.00 58.31 58.01 3fau n LYS 42 Cb 0.00 -2.38 0.21 0.00 0.02 0.00 0.00 35.03 32.88 3fau n LYS 42 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3fau n PRO 43 N 6.66 2.16 -4.08 1.64 -0.04 -1.26 -4.86 135.00 135.22 3fau n PRO 43 Ca 0.30 -1.69 -0.10 0.00 -0.04 0.00 0.00 63.50 61.97 3fau n PRO 43 Cb 0.21 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.42 0.72 -0.06 0.54 1.13 -1.26 -0.92 117.35 116.08 3fau s TYR 44 Ca 0.31 -1.03 0.01 0.00 -1.41 0.00 0.00 57.07 54.95 3fau s TYR 44 Cb 0.17 -0.20 0.02 0.00 -1.10 0.00 0.00 41.96 40.84 3fau s TYR 44 CO 0.20 -0.76 -0.05 -1.17 -2.51 0.00 0.00 175.55 171.26 3fau s LEU 45 N -3.06 1.27 0.13 -3.49 2.96 -0.14 -4.89 118.68 111.46 3fau s LEU 45 Ca 0.28 -0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.79 3fau s LEU 45 Cb 0.04 -0.55 -0.08 0.00 0.50 0.00 0.00 46.19 46.10 3fau s LEU 45 CO 0.08 -0.06 0.71 -0.94 -1.32 0.00 0.00 176.35 174.81 3fau s SER 46 N 1.10 7.28 -0.12 3.68 1.04 -1.26 -1.41 113.70 124.01 3fau s SER 46 Ca -0.08 1.52 0.01 0.00 0.48 0.00 0.00 55.95 57.88 3fau s SER 46 Cb -0.14 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.55 3fau s SER 46 CO -0.01 0.23 -0.12 -0.69 0.98 0.00 0.00 173.24 173.63 3fau s VAL 47 N -1.13 1.33 -0.48 5.02 1.01 0.35 -0.62 120.40 125.87 3fau s VAL 47 Ca 0.33 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 3fau s VAL 47 Cb -0.22 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 34.94 3fau s VAL 47 CO 0.24 0.41 0.68 -0.63 0.00 0.00 0.00 175.10 175.80 3fau s ILE 48 N 1.37 4.78 -0.13 2.22 1.01 0.36 -0.45 121.20 130.36 3fau s ILE 48 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 60.65 60.69 3fau s ILE 48 Cb -0.13 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 3fau s ILE 48 CO -0.06 -0.76 1.26 0.71 0.00 0.00 0.00 174.94 176.08 3fau h THR 49 N 5.89 0.82 0.00 2.92 1.35 -1.16 -0.91 112.91 121.81 3fau h THR 49 Ca -0.26 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 3fau h THR 49 Cb 1.09 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 3fau h THR 49 CO 0.95 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 3fau n GLY 50 N 1.28 -3.68 6.12 5.82 0.00 -0.95 -4.34 105.19 109.43 3fau n GLY 50 Ca -0.01 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3fau n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fau n ARG 51 N -0.03 0.00 0.00 1.61 1.85 -1.26 -4.58 116.66 114.25 3fau n ARG 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3fau n ARG 51 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3fau n ARG 51 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3fau n ARG 61 N 0.00 0.00 0.06 2.89 1.74 -1.26 -4.92 116.66 115.18 3fau n ARG 61 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 3fau n ARG 61 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 3fau n ARG 61 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3fau h ILE 62 N 0.00 1.33 0.12 0.55 3.07 -1.92 -3.33 117.51 117.34 3fau h ILE 62 Ca 0.00 -2.97 0.01 0.00 1.55 0.00 0.00 64.86 63.45 3fau h ILE 62 Cb 0.00 2.64 -0.02 0.00 -0.27 0.00 0.00 36.82 39.18 3fau h ILE 62 CO 0.00 0.76 -0.15 0.50 -1.05 0.00 0.00 178.15 178.21 3fau h LYS 63 N 0.00 -0.31 -0.86 0.16 3.64 -1.95 -1.18 116.57 116.07 3fau h LYS 63 Ca -0.06 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fau h LYS 63 Cb 1.71 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.55 3fau h LYS 63 CO 0.10 -0.21 0.54 -1.35 -2.27 0.00 0.00 179.45 176.27 3fau h PRO 64 N -0.32 1.16 -0.73 1.90 0.11 -2.00 0.45 132.00 132.57 3fau h PRO 64 Ca 0.01 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 3fau h PRO 64 Cb 0.32 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 3fau h PRO 64 CO -0.06 0.79 0.23 0.00 -0.21 0.00 0.00 178.00 178.76 3fau h ALA 65 N 1.29 0.95 0.10 -0.75 0.00 -1.63 0.12 119.26 119.34 3fau h ALA 65 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fau h ALA 65 Cb -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3fau h ALA 65 CO -0.06 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 180.05 3fau h VAL 66 N 1.07 0.95 -0.56 0.00 2.07 -0.62 -1.67 116.25 117.49 3fau h VAL 66 Ca 0.24 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3fau h VAL 66 Cb 0.30 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3fau h VAL 66 CO -0.01 0.04 0.36 0.40 0.02 0.00 0.00 177.57 178.38 3fau h ILE 67 N -0.20 1.13 -0.31 4.57 1.08 -0.72 0.28 117.51 123.34 3fau h ILE 67 Ca -0.01 -0.25 0.05 0.00 -0.39 0.00 0.00 64.86 64.26 3fau h ILE 67 Cb 0.16 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.19 3fau h ILE 67 CO 0.02 0.13 0.00 0.50 -0.69 0.00 0.00 178.15 178.12 3fau h LYS 68 N 0.74 0.09 -0.26 2.37 3.64 -0.69 -0.77 116.57 121.68 3fau h LYS 68 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3fau h LYS 68 Cb -0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3fau h LYS 68 CO -0.06 0.06 0.16 -0.92 -2.27 0.00 0.00 179.45 176.42 3fau h TYR 69 N 0.09 0.33 -0.26 1.91 3.20 -0.86 -0.43 116.97 120.96 3fau h TYR 69 Ca 0.15 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3fau h TYR 69 Cb 0.20 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3fau h TYR 69 CO -0.23 0.24 0.16 -0.07 -1.64 0.00 0.00 178.16 176.62 3fau h LEU 70 N 0.33 0.26 -0.39 2.82 3.38 -0.68 -2.18 115.31 118.85 3fau h LEU 70 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fau h LEU 70 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fau h LEU 70 CO -0.02 0.19 0.20 0.40 0.09 0.00 0.00 178.44 179.30 3fau h ILE 71 N 0.32 1.16 0.00 1.22 2.04 -1.05 0.03 117.51 121.22 3fau h ILE 71 Ca 0.10 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3fau h ILE 71 Cb -0.02 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3fau h ILE 71 CO -0.04 0.17 -0.05 0.28 0.00 0.00 0.00 178.15 178.51 3fau h SER 72 N 0.49 0.00 -0.37 1.72 0.02 -0.86 -2.00 113.55 112.56 3fau h SER 72 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3fau h SER 72 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3fau h SER 72 CO -0.02 0.05 0.00 1.41 -1.14 0.00 0.00 176.83 177.13 3fau n HIS 73 N -3.77 0.64 -2.16 3.45 8.25 -0.84 -4.97 115.22 115.82 3fau n HIS 73 Ca -0.03 -0.58 -0.14 0.00 -0.26 0.00 0.00 57.72 56.72 3fau n HIS 73 Cb 0.14 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 0.41 -4.35 -4.65 0.41 7.64 -0.75 -4.98 113.62 107.34 3fau n SER 74 Ca 0.15 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 3fau n SER 74 Cb 0.55 -3.46 -0.02 0.00 -1.01 0.00 0.00 64.21 60.27 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 -2.68 3.28 0.31 1.43 0.08 -0.06 -5.03 117.98 115.32 3fau s PHE 75 Ca 0.00 1.39 -0.28 0.00 0.12 0.00 0.00 56.93 58.16 3fau s PHE 75 Cb 0.00 -3.38 -0.10 0.00 -0.57 0.00 0.00 43.02 38.97 3fau s PHE 75 CO 0.00 -0.58 1.16 1.03 -0.10 0.00 0.00 175.22 176.73 3fau s ARG 76 N 3.32 4.47 0.15 0.44 0.52 -1.26 -4.50 118.95 122.10 3fau s ARG 76 Ca 0.45 1.91 -0.19 0.00 -0.52 0.00 0.00 55.73 57.38 3fau s ARG 76 Cb -0.14 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.30 3fau s ARG 76 CO 0.09 0.03 0.49 -0.59 0.02 0.00 0.00 175.30 175.33 3fau s PHE 77 N -1.21 -0.31 0.17 -0.53 -0.71 -1.26 -0.50 117.98 113.63 3fau s PHE 77 Ca 0.48 0.02 -0.13 0.00 -1.04 0.00 0.00 56.93 56.26 3fau s PHE 77 Cb -0.34 0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 3fau s PHE 77 CO 0.43 -0.79 0.39 -1.54 -1.34 0.00 0.00 175.22 172.37 3fau s SER 78 N -2.80 -0.10 -0.22 1.98 1.04 -0.66 -4.99 113.70 107.94 3fau s SER 78 Ca 0.03 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 3fau s SER 78 Cb 0.00 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3fau s SER 78 CO -0.11 -0.95 0.33 -0.70 0.98 0.00 0.00 173.24 172.79 3fau s GLU 79 N -3.91 4.12 -0.08 4.02 2.12 -1.26 -0.06 118.70 123.65 3fau s GLU 79 Ca 0.12 0.05 -0.26 0.00 0.36 0.00 0.00 54.97 55.24 3fau s GLU 79 Cb 0.01 -3.56 -0.22 0.00 0.26 0.00 0.00 34.13 30.63 3fau s GLU 79 CO -0.03 -0.05 0.97 0.82 -0.54 0.00 0.00 175.26 176.43 3fau h ILE 80 N 5.09 1.45 -3.25 -3.70 2.04 -1.48 -3.47 117.51 114.19 3fau h ILE 80 Ca -0.36 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 63.85 3fau h ILE 80 Cb 1.16 2.52 -0.09 0.00 -0.74 0.00 0.00 36.82 39.68 3fau h ILE 80 CO 0.69 0.41 0.07 -1.59 0.00 0.00 0.00 178.15 177.73 3fau s LYS 81 N -3.20 1.47 0.09 2.37 -2.85 -1.17 -5.05 119.74 111.39 3fau s LYS 81 Ca -0.16 -0.89 -0.35 0.00 -1.00 0.00 0.00 55.97 53.56 3fau s LYS 81 Cb -0.01 0.54 -0.14 0.00 -2.06 0.00 0.00 37.83 36.16 3fau s LYS 81 CO 0.63 -0.63 1.55 -2.30 0.10 0.00 0.00 175.35 174.70 3fau n PRO 82 N -0.37 1.82 -0.63 1.78 -0.02 -1.26 -0.80 135.00 135.52 3fau n PRO 82 Ca -0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3fau n PRO 82 Cb 0.62 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.32 0.76 2.82 -1.23 0.00 -1.26 -4.92 105.19 104.67 3fau n GLY 83 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 2.09 2.97 -0.39 0.00 1.43 0.41 -1.19 118.68 124.01 3fau s LEU 85 Ca 0.01 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3fau s LEU 85 Cb -0.12 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.45 3fau s LEU 85 CO -0.05 0.33 0.47 -0.75 0.23 0.00 0.00 176.35 176.58 3fau s LYS 86 N -0.94 3.38 -0.25 1.70 2.20 0.92 -0.49 119.74 126.25 3fau s LYS 86 Ca 0.13 -0.46 -0.08 0.00 -0.36 0.00 0.00 55.97 55.21 3fau s LYS 86 Cb -0.11 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 3fau s LYS 86 CO 0.02 -0.74 0.08 0.08 -0.36 0.00 0.00 175.35 174.43 3fau s VAL 87 N 2.27 4.36 0.28 4.02 1.01 -0.50 -1.65 120.40 130.19 3fau s VAL 87 Ca 0.15 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3fau s VAL 87 Cb -0.16 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 3fau s VAL 87 CO 0.14 0.32 1.16 -0.04 0.00 0.00 0.00 175.10 176.68 3fau s MET 88 N 1.62 4.55 0.00 2.72 1.00 0.34 -0.96 119.30 128.57 3fau s MET 88 Ca 0.06 1.91 0.28 0.00 0.00 0.00 0.00 55.69 57.94 3fau s MET 88 Cb -0.15 -3.17 0.96 0.00 0.00 0.00 0.00 34.83 32.47 3fau s MET 88 CO 0.04 0.08 1.70 1.28 0.00 0.00 0.00 175.02 178.12