#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fma s ILE 2 N 0.00 4.87 -0.16 2.02 1.01 0.80 -0.97 121.20 128.77 1fma s ILE 2 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1fma s ILE 2 Cb 0.00 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1fma s ILE 2 CO 0.00 0.52 0.16 -0.75 0.00 0.00 0.00 174.94 174.87 1fma s LYS 3 N -0.17 3.92 -0.11 2.79 2.47 -0.71 -0.61 119.74 127.33 1fma s LYS 3 Ca 0.08 -0.14 0.03 0.00 -1.56 0.00 0.00 55.97 54.38 1fma s LYS 3 Cb -0.12 -3.33 0.01 0.00 -1.46 0.00 0.00 37.83 32.92 1fma s LYS 3 CO 0.01 0.48 -0.21 0.08 0.16 0.00 0.00 175.35 175.87 1fma s VAL 4 N -0.16 1.91 0.10 4.02 1.01 0.11 -0.41 120.40 126.98 1fma s VAL 4 Ca 0.12 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1fma s VAL 4 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1fma s VAL 4 CO 0.01 0.52 -0.05 -0.76 0.00 0.00 0.00 175.10 174.82 1fma s LEU 5 N 0.64 3.24 0.08 3.92 1.43 0.99 -0.50 118.68 128.48 1fma s LEU 5 Ca -0.12 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1fma s LEU 5 Cb -0.16 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1fma s LEU 5 CO 0.03 0.17 -0.19 -0.36 0.23 0.00 0.00 176.35 176.23 1fma s PHE 6 N -1.27 1.62 0.10 0.29 0.40 -0.58 -1.58 117.98 116.95 1fma s PHE 6 Ca 0.24 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1fma s PHE 6 Cb -0.11 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 1fma s PHE 6 CO 0.16 0.14 -0.10 -0.06 0.70 0.00 0.00 175.22 176.06 1fma s PHE 7 N -1.09 1.06 0.00 0.36 0.40 -1.12 -4.60 117.98 112.99 1fma s PHE 7 Ca 0.04 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1fma s PHE 7 Cb -0.10 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.86 1fma s PHE 7 CO 0.03 -0.00 0.00 0.00 0.70 0.00 0.00 175.22 175.95 1fma n ALA 8 N 0.59 0.00 -0.32 5.36 0.00 -1.26 -1.74 120.51 123.13 1fma n ALA 8 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1fma n ALA 8 Cb 0.58 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.31 1fma n ALA 8 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fma h GLN 9 N 0.00 0.89 -0.17 0.00 7.50 -1.99 -1.57 115.11 119.77 1fma h GLN 9 Ca 0.00 -0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.11 1fma h GLN 9 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.31 1fma h GLN 9 CO 0.00 0.59 0.06 0.28 -1.50 0.00 0.00 178.83 178.26 1fma h VAL 10 N 0.91 0.97 -0.66 -0.54 2.07 -1.68 -1.28 116.25 116.05 1fma h VAL 10 Ca 0.46 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 68.03 1fma h VAL 10 Cb 0.50 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1fma h VAL 10 CO -0.22 0.03 0.28 -0.09 0.02 0.00 0.00 177.57 177.58 1fma h ARG 11 N 0.15 0.46 0.02 1.57 2.43 -0.88 0.34 114.38 118.47 1fma h ARG 11 Ca 0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1fma h ARG 11 Cb 0.04 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1fma h ARG 11 CO -0.07 0.30 -0.01 0.93 -1.51 0.00 0.00 179.97 179.61 1fma h GLU 12 N 0.47 -0.03 -0.24 0.20 5.08 -1.09 -0.02 114.58 118.96 1fma h GLU 12 Ca 0.33 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1fma h GLU 12 Cb 0.40 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1fma h GLU 12 CO -0.31 0.12 -0.21 1.25 -1.00 0.00 0.00 179.01 178.87 1fma h LEU 13 N -0.17 0.60 -1.30 1.33 5.85 -0.72 -2.89 115.31 118.02 1fma h LEU 13 Ca -0.00 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1fma h LEU 13 Cb 0.16 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1fma h LEU 13 CO 0.00 0.94 -0.30 -0.37 -0.34 0.00 0.00 178.44 178.38 1fma h VAL 14 N 0.28 0.89 0.00 1.05 -1.51 -0.30 -3.43 116.25 113.23 1fma h VAL 14 Ca 0.04 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 1fma h VAL 14 Cb 0.75 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1fma h VAL 14 CO 0.05 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.29 1fma n GLY 15 N -0.22 0.63 3.18 5.19 0.00 -0.03 -4.91 105.19 109.04 1fma n GLY 15 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1fma n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fma s THR 16 N -2.05 0.10 -0.28 2.61 -1.32 -1.22 -5.05 115.64 108.44 1fma s THR 16 Ca 0.00 -0.82 0.20 0.00 -1.21 0.00 0.00 61.69 59.86 1fma s THR 16 Cb 0.00 -0.82 0.13 0.00 -1.51 0.00 0.00 72.50 70.29 1fma s THR 16 CO 0.00 -0.45 1.33 0.44 -2.21 0.00 0.00 174.62 173.73 1fma h ASP 17 N 3.59 0.00 -4.62 8.08 3.45 -1.88 -3.43 116.42 121.61 1fma h ASP 17 Ca -0.32 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.12 1fma h ASP 17 Cb 1.19 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.76 1fma h ASP 17 CO 0.46 0.20 0.28 0.00 -1.57 0.00 0.00 179.24 178.62 1fma s ALA 18 N -3.15 -1.82 0.18 3.45 0.00 -1.26 -1.53 121.76 117.63 1fma s ALA 18 Ca 0.03 1.47 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 1fma s ALA 18 Cb 0.07 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1fma s ALA 18 CO 0.74 -0.35 0.49 -0.08 0.00 0.00 0.00 175.76 176.56 1fma s THR 19 N -0.97 0.04 -0.00 0.00 -1.32 0.35 -4.98 115.64 108.75 1fma s THR 19 Ca -0.07 -0.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.74 1fma s THR 19 Cb -0.01 -1.46 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 1fma s THR 19 CO 0.06 -0.16 -0.10 -1.61 -2.21 0.00 0.00 174.62 170.60 1fma s GLU 20 N -3.85 2.47 0.05 7.08 2.02 -1.26 0.08 118.70 125.28 1fma s GLU 20 Ca 0.08 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1fma s GLU 20 Cb -0.00 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 1fma s GLU 20 CO -0.05 0.60 -0.12 0.08 0.02 0.00 0.00 175.26 175.78 1fma s VAL 21 N -0.92 0.95 0.77 2.63 1.01 0.22 -4.98 120.40 120.08 1fma s VAL 21 Ca 0.15 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1fma s VAL 21 Cb -0.11 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1fma s VAL 21 CO 0.05 -0.17 1.20 0.00 0.00 0.00 0.00 175.10 176.18 1fma s ALA 22 N -1.11 1.98 -0.86 5.51 0.00 -1.26 -0.14 121.76 125.87 1fma s ALA 22 Ca -0.02 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1fma s ALA 22 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1fma s ALA 22 CO 0.01 -2.08 2.93 0.00 0.00 0.00 0.00 175.76 176.62 1fma n ALA 23 N -3.06 6.81 -1.29 0.00 0.00 -1.26 -4.37 120.51 117.33 1fma n ALA 23 Ca 0.13 -3.15 -0.15 0.00 0.00 0.00 0.00 53.44 50.28 1fma n ALA 23 Cb 0.51 -2.66 0.20 0.00 0.00 0.00 0.00 19.45 17.50 1fma n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fma n ASP 24 N 2.15 3.37 -4.12 0.00 8.00 -1.26 -4.81 116.55 119.88 1fma n ASP 24 Ca 0.58 -3.63 -0.25 0.00 0.71 0.00 0.00 54.79 52.21 1fma n ASP 24 Cb 0.48 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.67 1fma n ASP 24 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fma s PHE 25 N -3.25 1.52 0.17 1.24 0.40 -1.26 -5.04 117.98 111.77 1fma s PHE 25 Ca 0.52 -0.39 0.13 0.00 -0.60 0.00 0.00 56.93 56.59 1fma s PHE 25 Cb 0.45 -1.02 0.36 0.00 0.51 0.00 0.00 43.02 43.31 1fma s PHE 25 CO 0.07 -0.11 1.59 -1.00 0.70 0.00 0.00 175.22 176.46 1fma h PRO 26 N 6.12 0.00 -4.11 0.24 0.13 -1.92 -3.39 132.00 129.07 1fma h PRO 26 Ca -0.34 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 1fma h PRO 26 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1fma h PRO 26 CO 0.48 0.58 -0.49 0.95 -0.23 0.00 0.00 178.00 179.29 1fma s THR 27 N -3.42 0.11 0.21 1.56 -4.23 -1.26 -1.67 115.64 106.94 1fma s THR 27 Ca 0.00 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 58.83 1fma s THR 27 Cb 0.11 -1.80 0.15 0.00 1.34 0.00 0.00 72.50 72.29 1fma s THR 27 CO 0.74 -0.49 1.76 0.58 -0.54 0.00 0.00 174.62 176.68 1fma h VAL 28 N 2.76 0.83 -0.51 2.29 2.07 -0.95 -1.47 116.25 121.27 1fma h VAL 28 Ca -0.33 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1fma h VAL 28 Cb 1.20 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1fma h VAL 28 CO 0.55 0.09 0.28 -0.08 0.02 0.00 0.00 177.57 178.44 1fma h GLU 29 N 0.50 0.54 -0.85 1.57 4.57 -0.48 0.21 114.58 120.65 1fma h GLU 29 Ca 0.31 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1fma h GLU 29 Cb 0.34 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1fma h GLU 29 CO -0.27 0.36 0.50 0.00 -1.18 0.00 0.00 179.01 178.42 1fma h ALA 30 N 1.25 1.08 -0.41 2.92 0.00 -1.66 -0.30 119.26 122.14 1fma h ALA 30 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1fma h ALA 30 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1fma h ALA 30 CO -0.12 0.55 0.07 1.25 0.00 0.00 0.00 179.25 181.00 1fma h LEU 31 N 1.16 0.65 -0.45 0.00 5.85 -0.80 -1.17 115.31 120.55 1fma h LEU 31 Ca 0.30 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1fma h LEU 31 Cb -0.03 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1fma h LEU 31 CO -0.05 0.74 0.24 -0.09 -0.34 0.00 0.00 178.44 178.94 1fma h ARG 32 N 0.54 0.47 -0.63 1.25 2.43 -0.12 0.56 114.38 118.88 1fma h ARG 32 Ca 0.13 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1fma h ARG 32 Cb 0.36 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1fma h ARG 32 CO 0.01 0.31 0.26 1.96 -1.51 0.00 0.00 179.97 181.00 1fma h GLN 33 N 0.49 0.94 -0.30 0.20 4.20 -0.90 0.18 115.11 119.92 1fma h GLN 33 Ca 0.19 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1fma h GLN 33 Cb 0.06 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1fma h GLN 33 CO -0.11 0.79 0.18 1.25 -0.67 0.00 0.00 178.83 180.26 1fma h HIS 34 N 0.88 0.41 -0.63 2.96 2.76 -0.35 -1.94 115.15 119.24 1fma h HIS 34 Ca 0.21 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1fma h HIS 34 Cb 0.20 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1fma h HIS 34 CO 0.01 0.31 0.14 0.52 -1.30 0.00 0.00 177.93 177.61 1fma h MET 35 N 0.38 1.02 -0.30 5.26 2.86 -0.66 -2.32 114.93 121.17 1fma h MET 35 Ca 0.11 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1fma h MET 35 Cb 0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1fma h MET 35 CO -0.02 0.93 0.18 0.00 1.06 0.00 0.00 176.91 179.06 1fma h ALA 36 N 1.04 1.76 0.00 6.32 0.00 -0.39 -1.97 119.26 126.03 1fma h ALA 36 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fma h ALA 36 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fma h ALA 36 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1fma n ALA 37 N -2.49 2.40 0.10 0.00 0.00 -0.75 -2.63 120.51 117.14 1fma n ALA 37 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 1fma n ALA 37 Cb 0.08 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.13 1fma n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fma h GLN 38 N 0.00 0.07 -2.28 0.00 1.08 -1.36 -3.47 115.11 109.15 1fma h GLN 38 Ca 0.00 -0.08 0.17 0.00 -1.45 0.00 0.00 58.65 57.29 1fma h GLN 38 Cb 0.14 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.50 1fma h GLN 38 CO 0.00 0.84 0.51 -1.54 -0.95 0.00 0.00 178.83 177.68 1fma s SER 39 N -6.84 -0.21 0.28 1.46 1.04 -1.24 -4.99 113.70 103.20 1fma s SER 39 Ca -0.01 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1fma s SER 39 Cb 0.11 0.45 0.41 0.00 0.10 0.00 0.00 66.02 67.09 1fma s SER 39 CO 0.80 -0.80 1.76 0.44 0.98 0.00 0.00 173.24 176.42 1fma h ASP 40 N 2.00 0.61 -0.27 7.02 3.32 -1.92 0.19 116.42 127.37 1fma h ASP 40 Ca -0.24 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 1fma h ASP 40 Cb 1.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1fma h ASP 40 CO 0.27 0.75 0.03 0.03 -1.72 0.00 0.00 179.24 178.60 1fma h ARG 41 N 0.57 0.46 -0.50 3.56 3.08 -1.92 -0.64 114.38 118.99 1fma h ARG 41 Ca 0.10 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1fma h ARG 41 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1fma h ARG 41 CO 0.03 0.59 0.14 -1.49 -1.07 0.00 0.00 179.97 178.17 1fma h TRP 42 N 0.27 0.76 -0.41 3.04 4.06 -1.76 -1.19 115.95 120.73 1fma h TRP 42 Ca 0.08 -0.06 -0.15 0.00 2.06 0.00 0.00 58.89 60.82 1fma h TRP 42 Cb 0.36 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1fma h TRP 42 CO 0.03 0.63 -0.34 0.00 -3.56 0.00 0.00 178.44 175.20 1fma h ALA 43 N 1.43 0.62 -0.50 1.49 0.00 -0.70 0.18 119.26 121.78 1fma h ALA 43 Ca 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1fma h ALA 43 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fma h ALA 43 CO -0.01 0.68 0.29 1.25 0.00 0.00 0.00 179.25 181.46 1fma h LEU 44 N 0.78 0.60 0.10 0.00 5.85 -0.91 -2.07 115.31 119.66 1fma h LEU 44 Ca 0.07 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fma h LEU 44 Cb 0.93 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1fma h LEU 44 CO 0.09 0.49 -0.05 0.00 -0.34 0.00 0.00 178.44 178.63 1fma h ALA 45 N 1.14 -0.13 -1.49 1.25 0.00 -1.02 -3.30 119.26 115.70 1fma h ALA 45 Ca 0.18 -0.15 -0.72 0.00 0.00 0.00 0.00 54.91 54.21 1fma h ALA 45 Cb 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 17.79 17.52 1fma h ALA 45 CO -0.03 -0.43 0.43 1.28 0.00 0.00 0.00 179.25 180.50 1fma n LEU 46 N -5.02 6.40 0.00 0.00 4.77 0.60 -4.38 117.00 119.37 1fma n LEU 46 Ca -0.08 -5.34 0.00 0.00 -0.03 0.00 0.00 56.01 50.56 1fma n LEU 46 Cb 0.19 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1fma n LEU 46 CO 0.33 2.09 0.03 -0.62 -1.33 0.00 0.00 177.39 177.89 1fma n GLU 47 N -0.25 0.00 -2.08 3.23 1.02 -0.80 -4.69 120.64 117.07 1fma n GLU 47 Ca 0.43 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 57.10 1fma n GLU 47 Cb 0.33 -0.29 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 1fma n GLU 47 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fma s ASP 48 N 0.00 6.73 0.62 1.62 2.15 -1.26 -4.89 116.67 121.65 1fma s ASP 48 Ca 0.00 2.40 0.35 0.00 0.43 0.00 0.00 52.55 55.73 1fma s ASP 48 Cb 0.00 -2.58 2.02 0.00 -0.30 0.00 0.00 42.92 42.05 1fma s ASP 48 CO 0.00 -0.74 2.26 1.23 -0.17 0.00 0.00 175.17 177.75 1fma h GLY 49 N 7.22 0.00 -0.90 2.66 0.00 -1.98 -1.27 103.07 108.80 1fma h GLY 49 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1fma h GLY 49 CO 0.89 0.00 -0.04 0.28 0.00 0.00 0.00 176.54 177.67 1fma n LYS 50 N -3.51 1.79 -1.67 4.80 5.02 -1.26 -4.93 118.16 118.41 1fma n LYS 50 Ca -0.02 -1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 54.61 1fma n LYS 50 Cb 0.13 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1fma n LYS 50 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1fma n LEU 51 N 0.47 3.11 -4.74 -0.35 7.94 -0.48 -4.19 117.00 118.75 1fma n LEU 51 Ca 0.16 1.17 -0.26 0.00 -1.11 0.00 0.00 56.01 55.98 1fma n LEU 51 Cb 0.44 -1.43 -0.06 0.00 0.53 0.00 0.00 43.42 42.90 1fma n LEU 51 CO 0.17 -0.81 -0.26 -0.76 -1.11 0.00 0.00 177.39 174.62 1fma s LEU 52 N -0.71 3.59 0.01 -1.96 1.43 -0.19 -4.98 118.68 115.88 1fma s LEU 52 Ca 0.57 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1fma s LEU 52 Cb -0.59 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1fma s LEU 52 CO 0.61 0.07 -0.09 0.00 0.23 0.00 0.00 176.35 177.17 1fma s ALA 53 N -1.79 0.72 0.01 4.21 0.00 -1.26 -1.53 121.76 122.13 1fma s ALA 53 Ca 0.30 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1fma s ALA 53 Cb -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1fma s ALA 53 CO 0.21 0.13 -0.13 0.00 0.00 0.00 0.00 175.76 175.97 1fma s ALA 54 N -0.59 1.11 -0.12 0.00 0.00 -0.13 -1.37 121.76 120.66 1fma s ALA 54 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1fma s ALA 54 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1fma s ALA 54 CO 0.00 0.24 -0.20 0.08 0.00 0.00 0.00 175.76 175.89 1fma s VAL 55 N -0.55 1.83 -1.44 0.00 1.01 0.07 -0.24 120.40 121.08 1fma s VAL 55 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1fma s VAL 55 Cb -0.06 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1fma s VAL 55 CO 0.00 0.51 0.31 0.59 0.00 0.00 0.00 175.10 176.51 1fma n ASN 56 N 4.01 -0.01 -1.85 3.32 3.02 0.56 -1.65 115.26 122.65 1fma n ASN 56 Ca -0.20 -1.08 -0.19 0.00 -0.03 0.00 0.00 54.58 53.08 1fma n ASN 56 Cb 0.52 -2.65 -0.04 0.00 -0.61 0.00 0.00 39.78 36.99 1fma n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fma n GLN 57 N -4.45 -1.42 -5.03 3.52 3.00 -1.26 -5.00 117.38 106.74 1fma n GLN 57 Ca -0.31 1.02 -0.27 0.00 -0.01 0.00 0.00 57.00 57.42 1fma n GLN 57 Cb 0.69 -5.47 -0.16 0.00 0.00 0.00 0.00 30.24 25.31 1fma n GLN 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1fma s THR 58 N -2.84 1.66 0.23 5.09 -1.32 -0.66 -5.10 115.64 112.70 1fma s THR 58 Ca 0.00 -0.89 -0.30 0.00 -1.21 0.00 0.00 61.69 59.30 1fma s THR 58 Cb 0.00 -1.38 -0.09 0.00 -1.51 0.00 0.00 72.50 69.52 1fma s THR 58 CO 0.00 0.47 1.27 -0.22 -2.21 0.00 0.00 174.62 173.93 1fma s LEU 59 N -0.41 4.44 0.05 9.08 2.96 -1.26 -0.75 118.68 132.79 1fma s LEU 59 Ca 0.06 2.43 -0.02 0.00 -0.22 0.00 0.00 54.13 56.37 1fma s LEU 59 Cb -0.09 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1fma s LEU 59 CO -0.00 -0.47 -0.00 0.68 -1.32 0.00 0.00 176.35 175.24 1fma s VAL 60 N -0.30 0.20 0.63 1.68 -7.23 -0.47 -4.89 120.40 110.02 1fma s VAL 60 Ca 0.53 -1.66 -0.18 0.00 -1.81 0.00 0.00 61.98 58.86 1fma s VAL 60 Cb -0.36 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1fma s VAL 60 CO 0.41 -0.92 1.26 -0.55 -0.31 0.00 0.00 175.10 175.00 1fma s SER 61 N -2.79 4.77 0.18 4.85 0.15 -1.26 -4.44 113.70 115.16 1fma s SER 61 Ca 0.05 2.53 0.17 0.00 0.70 0.00 0.00 55.95 59.40 1fma s SER 61 Cb 0.06 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.56 1fma s SER 61 CO -0.09 -1.88 1.54 0.49 1.20 0.00 0.00 173.24 174.49 1fma n PHE 62 N -1.85 0.49 1.60 3.44 3.01 -1.26 -1.05 117.46 121.84 1fma n PHE 62 Ca 0.15 0.21 0.15 0.00 1.01 0.00 0.00 57.45 58.97 1fma n PHE 62 Cb 0.49 -0.84 0.76 0.00 -0.01 0.00 0.00 39.48 39.87 1fma n PHE 62 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1fma n ASP 63 N -1.96 0.24 -4.72 4.37 8.00 -1.26 0.24 116.55 121.46 1fma n ASP 63 Ca 0.01 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.46 1fma n ASP 63 Cb 0.14 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1fma n ASP 63 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1fma n HIS 64 N -1.01 2.59 -2.25 1.24 -0.00 -0.21 -4.67 115.22 110.92 1fma n HIS 64 Ca 0.18 0.31 -0.34 0.00 0.46 0.00 0.00 57.72 58.33 1fma n HIS 64 Cb 0.22 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.54 1fma n HIS 64 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1fma s PRO 65 N -0.42 3.38 0.06 1.57 0.04 -1.26 -0.84 135.00 137.53 1fma s PRO 65 Ca 0.66 1.52 0.05 0.00 0.04 0.00 0.00 61.00 63.26 1fma s PRO 65 Cb -0.55 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 1fma s PRO 65 CO 0.48 -0.81 -0.05 -0.51 0.04 0.00 0.00 177.00 176.16 1fma s LEU 66 N -3.90 3.27 0.04 -3.56 1.43 -0.67 -4.72 118.68 110.57 1fma s LEU 66 Ca 0.71 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1fma s LEU 66 Cb -0.22 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1fma s LEU 66 CO 0.28 0.21 -0.07 0.42 0.23 0.00 0.00 176.35 177.42 1fma s THR 67 N -1.19 0.45 0.15 5.49 -4.23 -1.26 -4.82 115.64 110.22 1fma s THR 67 Ca 0.22 -1.01 -0.34 0.00 -1.18 0.00 0.00 61.69 59.38 1fma s THR 67 Cb -0.11 -0.52 -0.15 0.00 1.34 0.00 0.00 72.50 73.05 1fma s THR 67 CO 0.14 -0.38 1.39 -0.67 -0.54 0.00 0.00 174.62 174.56 1fma n ASP 68 N 1.56 2.21 0.00 3.99 2.03 -1.26 -1.24 116.55 123.83 1fma n ASP 68 Ca -0.23 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1fma n ASP 68 Cb 0.55 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1fma n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fma n GLY 69 N 2.66 0.54 3.72 0.27 0.00 -0.14 -4.95 105.19 107.29 1fma n GLY 69 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1fma n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fma s ASP 70 N -2.06 4.09 -0.22 1.61 1.01 -0.37 -4.82 116.67 115.91 1fma s ASP 70 Ca 0.00 2.36 -0.05 0.00 0.71 0.00 0.00 52.55 55.57 1fma s ASP 70 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1fma s ASP 70 CO 0.00 -2.33 -0.00 -0.70 0.21 0.00 0.00 175.17 172.34 1fma s GLU 71 N -3.95 3.52 -0.06 8.23 2.12 -1.26 -1.74 118.70 125.56 1fma s GLU 71 Ca 0.74 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1fma s GLU 71 Cb -0.29 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1fma s GLU 71 CO 0.46 -0.11 -0.05 0.08 -0.54 0.00 0.00 175.26 175.10 1fma s VAL 72 N 1.31 3.87 0.00 3.70 1.01 0.45 -0.33 120.40 130.43 1fma s VAL 72 Ca 0.04 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1fma s VAL 72 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1fma s VAL 72 CO 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 175.10 175.56 1fma s ALA 73 N -0.86 0.96 -0.07 5.51 0.00 0.67 -0.01 121.76 127.96 1fma s ALA 73 Ca 0.13 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.58 1fma s ALA 73 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1fma s ALA 73 CO 0.03 0.21 -0.23 -0.06 0.00 0.00 0.00 175.76 175.71 1fma s PHE 74 N -0.44 2.50 0.15 0.00 0.40 -0.61 -0.96 117.98 119.02 1fma s PHE 74 Ca 0.03 -0.72 -0.23 0.00 -0.60 0.00 0.00 56.93 55.41 1fma s PHE 74 Cb -0.05 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 41.91 1fma s PHE 74 CO -0.00 -0.21 0.59 -0.59 0.70 0.00 0.00 175.22 175.71 1fma s PHE 75 N -0.10 -0.52 0.90 0.36 -0.12 -0.58 -2.80 117.98 115.12 1fma s PHE 75 Ca -0.05 0.33 -0.14 0.00 -0.05 0.00 0.00 56.93 57.02 1fma s PHE 75 Cb -0.14 0.54 0.14 0.00 -0.63 0.00 0.00 43.02 42.93 1fma s PHE 75 CO 0.04 -0.83 1.22 -1.25 -0.05 0.00 0.00 175.22 174.35 1fma s PRO 76 N -3.67 1.18 0.34 1.99 0.04 -1.26 -1.02 135.00 132.60 1fma s PRO 76 Ca 0.01 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 60.74 1fma s PRO 76 Cb -0.01 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1fma s PRO 76 CO -0.12 -2.10 0.96 -2.30 0.04 0.00 0.00 177.00 173.48 1fma n PRO 77 N -3.63 1.28 -2.35 0.56 -0.02 -1.26 -4.76 135.00 124.81 1fma n PRO 77 Ca 0.10 0.45 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 1fma n PRO 77 Cb 0.60 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 1fma n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fma s VAL 78 N -1.16 4.68 -0.25 -1.45 -7.23 -1.26 -5.01 120.40 108.72 1fma s VAL 78 Ca 0.60 0.89 0.21 0.00 -1.81 0.00 0.00 61.98 61.87 1fma s VAL 78 Cb -0.65 -3.78 0.50 0.00 0.56 0.00 0.00 36.38 33.00 1fma s VAL 78 CO 0.59 -0.81 1.12 0.35 -0.31 0.00 0.00 175.10 176.04 1fma n THR 79 N -1.95 1.38 -1.94 5.32 -2.24 -1.26 -5.10 114.28 108.48 1fma n THR 79 Ca 0.05 -3.00 -0.29 0.00 -2.27 0.00 0.00 64.05 58.54 1fma n THR 79 Cb 0.54 0.95 0.21 0.00 -2.10 0.00 0.00 70.33 69.93 1fma n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fma n GLY 80 N -0.56 -1.46 0.00 3.38 0.00 -1.26 -5.33 105.19 99.95 1fma n GLY 80 Ca 0.12 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.44 1fma n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93