#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 4.06 -0.39 1.04 2.96 0.01 -4.89 118.68 121.47 3fau s LEU 11 Ca 0.00 1.78 -0.10 0.00 -0.22 0.00 0.00 54.13 55.60 3fau s LEU 11 Cb 0.00 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.21 3fau s LEU 11 CO 0.00 -1.08 0.22 -0.62 -1.32 0.00 0.00 176.35 173.55 3fau s ASP 12 N 3.58 5.66 0.00 3.68 -1.08 -1.26 0.05 116.67 127.29 3fau s ASP 12 Ca 0.69 -1.25 0.23 0.00 -0.52 0.00 0.00 52.55 51.69 3fau s ASP 12 Cb -0.26 -1.99 0.28 0.00 -1.46 0.00 0.00 42.92 39.48 3fau s ASP 12 CO 0.27 -0.46 1.29 0.18 0.52 0.00 0.00 175.17 176.97 3fau n LEU 13 N 4.95 3.12 -4.77 -1.34 4.77 0.12 -4.95 117.00 118.89 3fau n LEU 13 Ca -0.11 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.24 3fau n LEU 13 Cb 0.44 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3fau n LEU 13 CO 0.37 0.60 1.04 -1.38 -1.33 0.00 0.00 177.39 176.69 3fau s HIS 14 N -1.70 2.72 0.00 -1.77 -3.43 -1.22 -2.70 115.29 107.19 3fau s HIS 14 Ca 0.31 1.31 0.00 0.00 -0.80 0.00 0.00 55.06 55.88 3fau s HIS 14 Cb 0.20 -3.83 0.00 0.00 -1.43 0.00 0.00 32.58 27.52 3fau s HIS 14 CO 0.29 -2.49 0.00 0.41 -2.00 0.00 0.00 174.74 170.95 3fau n GLY 15 N 0.61 0.64 3.90 -1.38 0.00 -1.26 -5.00 105.19 102.70 3fau n GLY 15 Ca 0.02 0.00 -0.29 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 4.03 0.51 0.99 1.43 -1.10 -5.06 118.68 119.49 3fau s LEU 16 Ca 0.00 0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 53.68 3fau s LEU 16 Cb 0.00 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 3fau s LEU 16 CO 0.00 -0.21 1.40 -1.00 0.23 0.00 0.00 176.35 176.76 3fau s HIS 17 N -2.10 2.32 0.20 0.29 3.76 -1.26 -4.81 115.29 113.70 3fau s HIS 17 Ca 0.46 1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 56.57 3fau s HIS 17 Cb -0.11 -3.87 0.18 0.00 1.11 0.00 0.00 32.58 29.89 3fau s HIS 17 CO 0.29 -3.00 1.82 0.28 -0.85 0.00 0.00 174.74 173.28 3fau h VAL 18 N 1.78 1.02 -0.84 -0.90 2.07 -1.97 0.30 116.25 117.72 3fau h VAL 18 Ca -0.51 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3fau h VAL 18 Cb 1.29 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3fau h VAL 18 CO 0.59 0.13 0.54 -2.24 0.02 0.00 0.00 177.57 176.61 3fau h ASP 19 N 0.70 0.98 -0.33 0.57 -0.00 -1.99 -1.11 116.42 115.24 3fau h ASP 19 Ca 0.27 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.03 57.18 3fau h ASP 19 Cb 0.09 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.17 3fau h ASP 19 CO -0.14 0.72 -0.12 -0.08 -0.00 0.00 0.00 179.24 179.63 3fau h GLU 20 N 1.14 0.66 -0.63 4.15 4.81 -1.75 -1.76 114.58 121.20 3fau h GLU 20 Ca 0.31 -0.27 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3fau h GLU 20 Cb -0.11 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3fau h GLU 20 CO -0.06 0.85 0.34 0.00 -0.73 0.00 0.00 179.01 179.41 3fau h ALA 21 N 0.79 0.84 0.00 2.92 0.00 -0.59 -1.33 119.26 121.89 3fau h ALA 21 Ca 0.08 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3fau h ALA 21 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3fau h ALA 21 CO 0.04 0.02 -0.58 -0.07 0.00 0.00 0.00 179.25 178.66 3fau h LEU 22 N 0.64 0.00 -0.24 0.00 3.38 -1.17 -0.66 115.31 117.26 3fau h LEU 22 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3fau h LEU 22 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fau h LEU 22 CO -0.18 0.58 0.11 -0.08 0.09 0.00 0.00 178.44 178.97 3fau h GLU 23 N 0.00 0.34 -0.28 1.13 4.57 -0.61 -0.26 114.58 119.48 3fau h GLU 23 Ca -0.01 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3fau h GLU 23 Cb 1.05 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 3fau h GLU 23 CO 0.08 0.35 0.16 0.45 -1.18 0.00 0.00 179.01 178.87 3fau h HIS 24 N 0.25 0.37 -0.33 0.92 3.86 -1.08 -2.01 115.15 117.13 3fau h HIS 24 Ca 0.08 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.36 3fau h HIS 24 Cb 0.12 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 3fau h HIS 24 CO -0.02 0.28 -0.10 1.25 0.86 0.00 0.00 177.93 180.21 3fau h LEU 25 N 0.34 -0.34 -0.12 2.43 5.85 -0.97 -0.01 115.31 122.49 3fau h LEU 25 Ca 0.10 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3fau h LEU 25 Cb 0.03 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3fau h LEU 25 CO -0.02 -0.12 0.05 -0.03 -0.34 0.00 0.00 178.44 177.98 3fau h MET 26 N -0.02 0.18 -0.22 1.25 4.05 -0.93 -0.15 114.93 119.09 3fau h MET 26 Ca 0.16 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3fau h MET 26 Cb 0.26 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3fau h MET 26 CO -0.35 0.27 0.11 0.00 0.23 0.00 0.00 176.91 177.18 3fau h ARG 27 N 0.05 0.32 -0.26 0.39 -0.00 -1.23 -1.10 114.38 112.55 3fau h ARG 27 Ca 0.04 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 3fau h ARG 27 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 3fau h ARG 27 CO -0.00 0.32 0.06 0.28 0.00 0.00 0.00 179.97 180.62 3fau h VAL 28 N 0.24 1.22 -0.57 2.04 2.07 -0.92 -1.33 116.25 118.99 3fau h VAL 28 Ca 0.08 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3fau h VAL 28 Cb 0.10 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3fau h VAL 28 CO -0.01 0.23 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 3fau h LEU 29 N 0.24 0.43 -0.45 2.57 3.38 -0.94 -0.03 115.31 120.52 3fau h LEU 29 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fau h LEU 29 Cb 0.29 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fau h LEU 29 CO 0.00 0.29 0.28 -0.08 0.09 0.00 0.00 178.44 179.02 3fau h GLU 30 N 0.56 0.61 0.41 1.13 4.81 -1.00 -0.27 114.58 120.83 3fau h GLU 30 Ca 0.25 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3fau h GLU 30 Cb 0.15 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3fau h GLU 30 CO -0.17 0.44 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.13 3fau h LYS 31 N 0.60 -0.53 -0.84 1.92 3.64 -0.86 -2.39 116.57 118.10 3fau h LYS 31 Ca 0.16 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3fau h LYS 31 Cb -0.02 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3fau h LYS 31 CO -0.03 -0.24 0.55 0.87 -2.27 0.00 0.00 179.45 178.33 3fau h LYS 32 N -0.78 1.00 -0.33 1.90 1.79 -0.95 0.20 116.57 119.40 3fau h LYS 32 Ca -0.06 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.27 3fau h LYS 32 Cb 0.53 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3fau h LYS 32 CO 0.09 0.66 -0.11 1.15 -1.08 0.00 0.00 179.45 180.16 3fau h THR 33 N 1.03 1.28 -0.70 -0.16 2.02 -1.01 0.21 112.91 115.59 3fau h THR 33 Ca 0.33 -1.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 3fau h THR 33 Cb 0.05 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3fau h THR 33 CO -0.10 0.38 0.19 -0.08 0.37 0.00 0.00 175.52 176.28 3fau h GLU 34 N 0.42 1.10 -0.96 6.66 4.57 -1.21 0.53 114.58 125.70 3fau h GLU 34 Ca 0.08 -0.25 0.07 0.00 -1.18 0.00 0.00 59.36 58.07 3fau h GLU 34 Cb 0.62 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 3fau h GLU 34 CO 0.04 0.96 0.61 0.93 -1.18 0.00 0.00 179.01 180.37 3fau h GLU 35 N 1.04 1.08 -0.09 1.92 5.08 -0.72 -2.14 114.58 120.75 3fau h GLU 35 Ca 0.22 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3fau h GLU 35 Cb 0.34 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fau h GLU 35 CO -0.00 0.71 -0.34 0.35 -1.00 0.00 0.00 179.01 178.72 3fau h PHE 36 N 1.11 0.52 -0.27 4.33 3.04 0.02 0.37 116.94 126.06 3fau h PHE 36 Ca 0.42 -0.22 0.08 0.00 3.98 0.00 0.00 57.97 62.23 3fau h PHE 36 Cb 0.17 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 3fau h PHE 36 CO -0.01 0.96 0.27 0.87 -2.02 0.00 0.00 178.31 178.37 3fau h LYS 37 N -0.07 0.00 0.00 1.11 1.57 0.42 -3.25 116.57 116.35 3fau h LYS 37 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fau h LYS 37 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3fau h LYS 37 CO 0.07 0.00 -0.97 1.04 -0.57 0.00 0.00 179.45 179.03 3fau n GLN 38 N -3.89 3.47 -2.23 3.15 1.13 -0.84 -5.08 117.38 113.09 3fau n GLN 38 Ca 0.04 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.05 3fau n GLN 38 Cb 0.41 -0.98 -0.01 0.00 0.11 0.00 0.00 30.24 29.77 3fau n GLN 38 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3fau n ASN 39 N -1.89 1.86 -3.14 1.08 2.85 0.13 -5.08 115.26 111.07 3fau n ASN 39 Ca 0.00 -1.36 -0.32 0.00 -0.11 0.00 0.00 54.58 52.79 3fau n ASN 39 Cb 0.43 0.03 -0.02 0.00 1.24 0.00 0.00 39.78 41.47 3fau n ASN 39 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3fau n GLY 40 N 3.92 5.81 0.00 8.20 0.00 -1.26 -4.70 105.19 117.16 3fau n GLY 40 Ca -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.21 2.21 3.84 -0.02 0.00 -1.26 -5.11 105.19 104.63 3fau n GLY 41 Ca 0.37 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 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 3.75 4.06 0.09 1.61 1.02 -1.26 -5.00 119.74 124.01 3fau s LYS 42 Ca 0.00 0.63 0.25 0.00 0.02 0.00 0.00 55.97 56.87 3fau s LYS 42 Cb 0.00 -2.80 0.97 0.00 -0.52 0.00 0.00 37.83 35.48 3fau s LYS 42 CO 0.00 0.38 1.77 -2.30 -0.92 0.00 0.00 175.35 174.28 3fau n PRO 43 N 0.48 0.09 -4.06 -1.68 -0.02 -1.26 -4.88 135.00 123.67 3fau n PRO 43 Ca -0.02 0.16 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3fau n PRO 43 Cb 0.52 -1.62 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 3fau n PRO 43 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fau s TYR 44 N -3.07 0.66 -0.09 6.00 1.13 -1.26 -1.49 117.35 119.23 3fau s TYR 44 Ca 0.10 -0.97 0.04 0.00 -1.41 0.00 0.00 57.07 54.84 3fau s TYR 44 Cb 0.14 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.96 3fau s TYR 44 CO 0.47 -0.92 -0.22 -1.17 -2.51 0.00 0.00 175.55 171.20 3fau s LEU 45 N -3.08 2.02 -0.19 -3.49 2.96 0.82 -4.89 118.68 112.83 3fau s LEU 45 Ca 0.28 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.51 3fau s LEU 45 Cb 0.01 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3fau s LEU 45 CO 0.11 0.15 0.45 -0.55 -1.32 0.00 0.00 176.35 175.19 3fau s SER 46 N 0.31 6.52 -0.20 3.68 0.15 -1.26 -0.52 113.70 122.38 3fau s SER 46 Ca -0.16 0.62 0.01 0.00 0.70 0.00 0.00 55.95 57.12 3fau s SER 46 Cb -0.17 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 3fau s SER 46 CO 0.07 -0.09 -0.16 -0.69 1.20 0.00 0.00 173.24 173.57 3fau s VAL 47 N 1.28 1.97 -0.24 4.45 1.01 0.83 0.24 120.40 129.94 3fau s VAL 47 Ca 0.22 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 3fau s VAL 47 Cb -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3fau s VAL 47 CO 0.09 0.33 0.72 -0.63 0.00 0.00 0.00 175.10 175.61 3fau s ILE 48 N 1.28 4.92 -0.63 2.22 1.01 0.11 -0.53 121.20 129.58 3fau s ILE 48 Ca 0.01 1.34 0.21 0.00 0.00 0.00 0.00 60.65 62.21 3fau s ILE 48 Cb -0.15 -4.02 -0.26 0.00 0.01 0.00 0.00 42.46 38.03 3fau s ILE 48 CO -0.10 -0.01 0.76 0.35 0.00 0.00 0.00 174.94 175.94 3fau n THR 49 N 5.17 0.01 0.00 2.92 -2.24 0.04 0.12 114.28 120.29 3fau n THR 49 Ca 0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3fau n THR 49 Cb 0.48 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.41 -1.23 0.00 3.38 0.00 -1.22 -4.23 105.19 103.29 3fau n GLY 50 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 0.00 -3.31 1.61 0.00 -1.26 -4.44 116.66 109.26 3fau n ARG 51 Ca 0.00 0.22 -0.27 0.00 -0.00 0.00 0.00 57.85 57.79 3fau n ARG 51 Cb 0.00 -0.67 0.02 0.00 -0.00 0.00 0.00 32.46 31.81 3fau n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3fau n GLY 52 N 2.16 -0.40 2.10 2.89 0.00 -1.26 -4.94 105.19 105.73 3fau n GLY 52 Ca 0.00 0.76 -0.36 0.00 0.00 0.00 0.00 46.02 46.41 3fau n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fau n SER 55 N -0.94 0.23 -4.84 1.61 3.41 -1.26 -4.68 113.62 107.16 3fau n SER 55 Ca -0.16 0.69 -0.35 0.00 -0.26 0.00 0.00 58.87 58.78 3fau n SER 55 Cb 0.57 -0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 3fau n SER 55 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fau s GLN 56 N 0.59 4.07 0.00 4.33 -0.21 -1.26 -4.97 119.66 122.21 3fau s GLN 56 Ca 0.56 0.64 0.00 0.00 0.02 0.00 0.00 55.36 56.59 3fau s GLN 56 Cb -0.79 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 30.41 3fau s GLN 56 CO 0.38 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.35 3fau n GLY 57 N 0.52 0.00 0.00 3.09 0.00 -1.26 -5.14 105.19 102.39 3fau n GLY 57 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.74 1.65 3.51 -0.02 0.00 -1.26 -5.16 105.19 106.66 3fau n GLY 58 Ca 0.00 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 1.05 3.98 -0.23 1.61 1.01 -1.26 -5.10 120.40 121.47 3fau s VAL 59 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3fau s VAL 59 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3fau s VAL 59 CO 0.00 0.49 0.08 0.00 0.00 0.00 0.00 175.10 175.67 3fau s ALA 60 N 0.33 3.28 -0.10 5.51 0.00 -1.26 -5.01 121.76 124.50 3fau s ALA 60 Ca -0.03 -0.98 0.20 0.00 0.00 0.00 0.00 51.96 51.15 3fau s ALA 60 Cb -0.14 -2.05 -0.26 0.00 0.00 0.00 0.00 23.12 20.68 3fau s ALA 60 CO 0.03 -0.24 0.48 0.54 0.00 0.00 0.00 175.76 176.57 3fau n ARG 61 N 4.40 0.66 0.19 0.00 5.12 -1.26 -4.56 116.66 121.21 3fau n ARG 61 Ca -0.16 -0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.54 3fau n ARG 61 Cb 0.52 -1.59 -0.07 0.00 -1.16 0.00 0.00 32.46 30.16 3fau n ARG 61 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3fau h ILE 62 N 0.00 0.35 -0.14 0.55 2.04 -1.91 -1.58 117.51 116.82 3fau h ILE 62 Ca -0.15 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3fau h ILE 62 Cb 1.38 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3fau h ILE 62 CO 0.01 0.00 0.08 0.50 0.00 0.00 0.00 178.15 178.74 3fau h LYS 63 N -0.63 0.19 -0.98 2.37 3.64 -1.80 -0.27 116.57 119.09 3fau h LYS 63 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fau h LYS 63 Cb 0.59 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 3fau h LYS 63 CO -0.07 0.21 0.62 -1.35 -2.27 0.00 0.00 179.45 176.58 3fau h PRO 64 N 0.13 1.30 -0.37 1.90 0.11 -1.80 0.35 132.00 133.62 3fau h PRO 64 Ca 0.05 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3fau h PRO 64 Cb 0.07 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3fau h PRO 64 CO -0.01 0.88 0.25 0.00 -0.21 0.00 0.00 178.00 178.91 3fau h ALA 65 N 1.34 0.47 -0.14 -0.75 0.00 -0.81 0.64 119.26 120.01 3fau h ALA 65 Ca 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fau h ALA 65 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3fau h ALA 65 CO -0.07 -0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.46 3fau h VAL 66 N 0.50 1.11 -0.73 0.00 2.07 -0.68 -0.92 116.25 117.60 3fau h VAL 66 Ca 0.14 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3fau h VAL 66 Cb -0.06 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3fau h VAL 66 CO -0.03 0.11 0.43 0.40 0.02 0.00 0.00 177.57 178.50 3fau h ILE 67 N 0.11 1.01 -0.57 4.57 2.04 -0.75 -0.42 117.51 123.50 3fau h ILE 67 Ca 0.05 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3fau h ILE 67 Cb 0.11 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3fau h ILE 67 CO -0.01 0.15 0.11 0.50 0.00 0.00 0.00 178.15 178.90 3fau h LYS 68 N 0.80 0.89 -0.39 2.37 1.63 -0.64 -1.26 116.57 119.98 3fau h LYS 68 Ca 0.32 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 3fau h LYS 68 Cb 0.16 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3fau h LYS 68 CO -0.17 0.82 0.07 -0.92 -3.45 0.00 0.00 179.45 175.80 3fau h TYR 69 N 0.85 0.68 -0.49 1.91 3.20 -0.58 -1.64 116.97 120.91 3fau h TYR 69 Ca 0.18 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3fau h TYR 69 Cb 0.35 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3fau h TYR 69 CO 0.02 0.68 0.15 -0.07 -1.64 0.00 0.00 178.16 177.30 3fau h LEU 70 N 0.49 0.72 -0.24 2.82 3.38 -0.79 -2.70 115.31 119.00 3fau h LEU 70 Ca 0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3fau h LEU 70 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fau h LEU 70 CO 0.01 0.74 -0.10 0.40 0.09 0.00 0.00 178.44 179.58 3fau h ILE 71 N 0.66 1.30 -0.21 1.22 2.04 -1.18 0.71 117.51 122.05 3fau h ILE 71 Ca 0.16 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.92 3fau h ILE 71 Cb 0.28 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3fau h ILE 71 CO -0.00 0.36 0.24 0.28 0.00 0.00 0.00 178.15 179.03 3fau h SER 72 N 0.21 0.00 -0.38 1.72 0.02 -1.25 0.40 113.55 114.27 3fau h SER 72 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3fau h SER 72 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3fau h SER 72 CO 0.03 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.13 3fau n HIS 73 N -3.74 1.18 -3.79 3.45 8.25 -1.02 -4.97 115.22 114.59 3fau n HIS 73 Ca 0.02 -0.78 -0.27 0.00 -0.26 0.00 0.00 57.72 56.44 3fau n HIS 73 Cb 0.37 -0.32 0.04 0.00 1.12 0.00 0.00 29.99 31.21 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 0.01 -4.31 -4.78 0.41 7.64 0.13 -4.97 113.62 107.75 3fau n SER 74 Ca 0.22 -0.73 -0.38 0.00 1.01 0.00 0.00 58.87 58.99 3fau n SER 74 Cb 0.90 -4.22 -0.06 0.00 -1.01 0.00 0.00 64.21 59.82 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 -3.38 3.83 -0.06 1.43 0.08 0.20 -5.02 117.98 115.05 3fau s PHE 75 Ca 0.49 1.62 -0.23 0.00 0.12 0.00 0.00 56.93 58.93 3fau s PHE 75 Cb -0.24 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 3fau s PHE 75 CO 0.80 0.43 0.70 1.03 -0.10 0.00 0.00 175.22 178.08 3fau s ARG 76 N -1.47 4.44 0.16 0.44 0.52 -1.26 -4.66 118.95 117.12 3fau s ARG 76 Ca 0.40 0.89 -0.13 0.00 -0.52 0.00 0.00 55.73 56.37 3fau s ARG 76 Cb -0.21 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 31.82 3fau s ARG 76 CO 0.25 0.07 0.37 -0.59 0.02 0.00 0.00 175.30 175.43 3fau s PHE 77 N 0.76 0.13 0.08 -0.53 -0.71 -1.26 -1.38 117.98 115.07 3fau s PHE 77 Ca 0.38 -0.49 -0.07 0.00 -1.04 0.00 0.00 56.93 55.71 3fau s PHE 77 Cb -0.18 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 3fau s PHE 77 CO 0.18 -0.77 0.15 -1.54 -1.34 0.00 0.00 175.22 171.90 3fau s SER 78 N -2.91 0.18 -0.90 1.98 1.04 -1.00 -4.98 113.70 107.11 3fau s SER 78 Ca 0.12 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.73 3fau s SER 78 Cb 0.02 0.31 0.24 0.00 0.10 0.00 0.00 66.02 66.68 3fau s SER 78 CO -0.03 -0.69 0.86 -0.70 0.98 0.00 0.00 173.24 173.66 3fau s GLU 79 N -3.74 3.77 0.00 4.02 2.12 -1.26 -0.92 118.70 122.68 3fau s GLU 79 Ca 0.04 -2.67 0.00 0.00 0.36 0.00 0.00 54.97 52.70 3fau s GLU 79 Cb 0.05 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.97 3fau s GLU 79 CO -0.10 -1.28 0.13 0.44 -0.54 0.00 0.00 175.26 173.91 3fau n ILE 80 N 3.63 0.00 -2.42 -3.70 -6.64 -1.21 -4.74 119.36 104.27 3fau n ILE 80 Ca 0.17 0.31 -0.42 0.00 -1.77 0.00 0.00 62.75 61.03 3fau n ILE 80 Cb 0.45 -0.66 -0.03 0.00 -1.44 0.00 0.00 39.64 37.95 3fau n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 3fau s LYS 81 N -0.25 4.47 0.26 6.28 1.02 -1.26 -4.98 119.74 125.27 3fau s LYS 81 Ca 0.00 1.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.49 3fau s LYS 81 Cb 0.00 -3.32 -0.15 0.00 -0.52 0.00 0.00 37.83 33.85 3fau s LYS 81 CO 0.00 -0.18 0.98 -0.35 -0.92 0.00 0.00 175.35 174.88 3fau n PRO 82 N 3.44 1.17 -1.20 -1.68 -0.04 -1.26 -0.95 135.00 134.48 3fau n PRO 82 Ca 0.07 0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 63.88 3fau n PRO 82 Cb 0.46 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.13 3fau n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fau n GLY 83 N 1.44 0.75 2.66 0.55 0.00 -1.26 -4.97 105.19 104.37 3fau n GLY 83 Ca 0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.10 4.38 -0.38 0.00 1.43 0.31 -3.28 118.68 123.25 3fau s LEU 85 Ca 0.03 0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 3fau s LEU 85 Cb -0.14 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 43.78 3fau s LEU 85 CO -0.06 0.30 0.21 -0.75 0.23 0.00 0.00 176.35 176.28 3fau s LYS 86 N -0.66 2.75 -0.23 1.70 2.20 -0.10 -0.12 119.74 125.27 3fau s LYS 86 Ca 0.18 -1.19 -0.09 0.00 -0.36 0.00 0.00 55.97 54.52 3fau s LYS 86 Cb -0.14 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 3fau s LYS 86 CO 0.07 -0.76 0.11 0.08 -0.36 0.00 0.00 175.35 174.49 3fau s VAL 87 N 1.51 4.81 -0.05 4.02 1.01 0.32 -2.37 120.40 129.65 3fau s VAL 87 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3fau s VAL 87 Cb -0.20 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3fau s VAL 87 CO 0.05 0.36 1.04 -0.32 0.00 0.00 0.00 175.10 176.23 3fau s MET 88 N 1.20 4.46 0.22 2.72 1.75 -0.48 -0.13 119.30 129.04 3fau s MET 88 Ca 0.06 1.47 -0.30 0.00 -1.25 0.00 0.00 55.69 55.66 3fau s MET 88 Cb -0.14 -3.50 -0.08 0.00 2.84 0.00 0.00 34.83 33.94 3fau s MET 88 CO 0.04 -0.24 0.97 -0.51 -0.65 0.00 0.00 175.02 174.63 3fau s LEU 89 N 1.64 4.61 0.00 4.11 1.43 -0.56 -4.51 118.68 125.41 3fau s LEU 89 Ca 0.51 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 3fau s LEU 89 Cb -0.21 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3fau s LEU 89 CO 0.23 0.08 0.00 1.17 0.23 0.00 0.00 176.35 178.05