#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucp n GLY 2 N 0.00 2.82 0.41 3.03 0.00 -1.26 -4.97 105.19 105.23 1ucp n GLY 2 Ca 0.00 -1.10 0.22 0.00 0.00 0.00 0.00 46.02 45.14 1ucp n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ucp h ARG 3 N 0.00 0.36 0.67 1.61 3.08 -1.93 0.24 114.38 118.42 1ucp h ARG 3 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1ucp h ARG 3 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1ucp h ARG 3 CO 0.00 0.24 -0.51 0.00 -1.07 0.00 0.00 179.97 178.63 1ucp h ALA 4 N 1.60 -1.23 -0.13 0.04 0.00 -1.88 0.70 119.26 118.36 1ucp h ALA 4 Ca 0.54 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ucp h ALA 4 Cb 1.42 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 1ucp h ALA 4 CO -0.23 -1.22 0.08 0.00 0.00 0.00 0.00 179.25 177.88 1ucp h ARG 5 N -1.13 0.17 -0.78 0.00 3.08 -1.27 -1.81 114.38 112.64 1ucp h ARG 5 Ca -0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1ucp h ARG 5 Cb 0.94 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1ucp h ARG 5 CO 0.03 0.15 0.51 -0.44 -1.07 0.00 0.00 179.97 179.15 1ucp h ASP 6 N 0.15 0.91 -0.22 7.04 5.19 -0.59 0.13 116.42 129.02 1ucp h ASP 6 Ca 0.05 -0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1ucp h ASP 6 Cb 0.02 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.30 1ucp h ASP 6 CO -0.01 0.67 -0.16 0.00 -3.12 0.00 0.00 179.24 176.62 1ucp h ALA 7 N 1.28 0.32 0.11 3.45 0.00 -0.72 0.18 119.26 123.89 1ucp h ALA 7 Ca 0.28 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ucp h ALA 7 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ucp h ALA 7 CO -0.06 0.22 -0.19 0.82 0.00 0.00 0.00 179.25 180.04 1ucp h ILE 8 N 0.21 0.56 -0.04 0.00 2.04 -0.83 0.39 117.51 119.83 1ucp h ILE 8 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1ucp h ILE 8 Cb 0.69 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1ucp h ILE 8 CO 0.04 0.00 -0.15 0.25 0.00 0.00 0.00 178.15 178.29 1ucp h LEU 9 N -0.38 -0.45 -0.95 1.44 7.12 -0.67 0.87 115.31 122.29 1ucp h LEU 9 Ca 0.02 0.07 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1ucp h LEU 9 Cb 0.39 0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.68 1ucp h LEU 9 CO -0.10 -0.21 0.54 0.44 -0.13 0.00 0.00 178.44 178.98 1ucp h ASP 10 N -0.23 1.13 -0.25 1.25 3.32 -0.82 0.78 116.42 121.60 1ucp h ASP 10 Ca 0.06 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ucp h ASP 10 Cb 0.32 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ucp h ASP 10 CO -0.18 0.88 0.08 0.00 -1.72 0.00 0.00 179.24 178.30 1ucp h ALA 11 N 1.31 0.33 -0.22 3.45 0.00 -0.23 -1.08 119.26 122.82 1ucp h ALA 11 Ca 0.33 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1ucp h ALA 11 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ucp h ALA 11 CO -0.06 -0.03 -0.30 -0.07 0.00 0.00 0.00 179.25 178.79 1ucp h LEU 12 N 0.24 0.46 -0.65 0.00 -0.00 -0.46 -2.13 115.31 112.76 1ucp h LEU 12 Ca 0.08 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1ucp h LEU 12 Cb 0.25 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.75 1ucp h LEU 12 CO -0.00 0.74 0.37 -0.33 -0.00 0.00 0.00 178.44 179.23 1ucp h GLU 13 N 0.39 0.90 0.00 1.13 4.39 -0.73 -1.80 114.58 118.86 1ucp h GLU 13 Ca 0.05 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ucp h GLU 13 Cb 0.73 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1ucp h GLU 13 CO 0.06 0.66 0.00 0.09 -1.16 0.00 0.00 179.01 178.66 1ucp n ASN 14 N -4.55 0.51 -4.85 1.42 3.02 -0.42 -4.75 115.26 105.64 1ucp n ASN 14 Ca 0.05 0.64 -0.32 0.00 -0.03 0.00 0.00 54.58 54.92 1ucp n ASN 14 Cb 0.07 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.45 1ucp n ASN 14 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ucp s LEU 15 N -4.15 3.94 0.72 3.41 1.43 -0.68 -5.08 118.68 118.28 1ucp s LEU 15 Ca 0.04 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1ucp s LEU 15 Cb 0.09 -4.22 0.14 0.00 0.03 0.00 0.00 46.19 42.22 1ucp s LEU 15 CO 0.34 -0.32 0.99 0.42 0.23 0.00 0.00 176.35 178.01 1ucp s THR 16 N -2.18 2.03 0.21 5.49 -4.23 -1.26 -4.78 115.64 110.91 1ucp s THR 16 Ca 0.56 -0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 1ucp s THR 16 Cb -0.10 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.53 1ucp s THR 16 CO 0.21 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.03 1ucp h ALA 17 N -0.49 0.80 -0.01 3.99 0.00 -1.98 0.27 119.26 121.84 1ucp h ALA 17 Ca -0.34 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 1ucp h ALA 17 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ucp h ALA 17 CO 0.38 -0.18 -0.94 1.49 0.00 0.00 0.00 179.25 180.00 1ucp h GLU 18 N 0.43 0.46 -0.15 0.00 4.57 -1.98 -1.13 114.58 116.77 1ucp h GLU 18 Ca 0.31 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 1ucp h GLU 18 Cb 0.37 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1ucp h GLU 18 CO -0.30 1.13 0.07 0.93 -1.18 0.00 0.00 179.01 179.67 1ucp h GLU 19 N 0.26 0.22 -0.61 1.92 4.39 -1.86 -0.30 114.58 118.61 1ucp h GLU 19 Ca -0.08 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1ucp h GLU 19 Cb 1.58 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.16 1ucp h GLU 19 CO 0.17 0.27 0.37 -0.07 -1.16 0.00 0.00 179.01 178.59 1ucp h LEU 20 N 0.11 0.72 -0.08 1.33 3.38 -0.43 0.19 115.31 120.54 1ucp h LEU 20 Ca 0.05 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ucp h LEU 20 Cb 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ucp h LEU 20 CO -0.01 0.57 -0.15 0.50 0.09 0.00 0.00 178.44 179.44 1ucp h LYS 21 N 0.82 -0.21 -0.61 1.13 3.64 -1.04 0.12 116.57 120.43 1ucp h LYS 21 Ca 0.22 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ucp h LYS 21 Cb -0.03 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1ucp h LYS 21 CO -0.04 -0.14 0.36 0.87 -2.27 0.00 0.00 179.45 178.23 1ucp h LYS 22 N -0.22 0.82 0.28 1.90 1.57 -0.46 -0.88 116.57 119.58 1ucp h LYS 22 Ca 0.08 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ucp h LYS 22 Cb 0.32 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ucp h LYS 22 CO -0.21 0.60 -0.18 0.35 -0.57 0.00 0.00 179.45 179.44 1ucp h PHE 23 N 0.82 -0.48 -0.06 -1.35 3.57 -0.26 0.10 116.94 119.28 1ucp h PHE 23 Ca 0.22 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1ucp h PHE 23 Cb -0.01 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1ucp h PHE 23 CO -0.02 -0.28 0.05 0.87 -2.23 0.00 0.00 178.31 176.70 1ucp h LYS 24 N -0.45 0.00 0.02 1.11 1.57 -0.52 0.18 116.57 118.48 1ucp h LYS 24 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1ucp h LYS 24 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ucp h LYS 24 CO 0.02 0.00 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.68 1ucp h LEU 25 N 0.00 0.08 -1.38 2.94 3.38 -0.79 -3.34 115.31 116.20 1ucp h LEU 25 Ca 0.03 -0.99 0.07 0.00 0.09 0.00 0.00 57.88 57.08 1ucp h LEU 25 Cb 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1ucp h LEU 25 CO -0.00 1.07 0.48 0.11 0.09 0.00 0.00 178.44 180.19 1ucp h LYS 26 N -0.88 0.71 -0.40 1.13 6.56 -0.09 -1.05 116.57 122.55 1ucp h LYS 26 Ca -0.03 -0.04 0.12 0.00 -1.06 0.00 0.00 60.65 59.64 1ucp h LYS 26 Cb 1.11 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.59 1ucp h LYS 26 CO 0.03 0.47 0.39 -0.07 -2.06 0.00 0.00 179.45 178.21 1ucp h LEU 27 N 0.73 0.00 -4.46 2.94 3.38 -0.81 -1.23 115.31 115.87 1ucp h LEU 27 Ca 0.32 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.85 1ucp h LEU 27 Cb 0.31 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.64 1ucp h LEU 27 CO -0.11 0.00 -0.93 -0.11 0.09 0.00 0.00 178.44 177.38 1ucp n LEU 28 N -3.85 3.60 0.00 1.67 0.00 -0.45 -4.71 117.00 113.26 1ucp n LEU 28 Ca 0.07 -4.19 0.00 0.00 0.00 0.00 0.00 56.01 51.89 1ucp n LEU 28 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.95 1ucp n LEU 28 CO 0.29 1.75 0.00 -0.24 0.00 0.00 0.00 177.39 179.19 1ucp n SER 29 N -0.60 0.00 -4.68 1.96 2.88 -0.47 -4.95 113.62 107.76 1ucp n SER 29 Ca 0.29 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.41 1ucp n SER 29 Cb 0.87 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 64.27 1ucp n SER 29 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ucp n VAL 30 N -1.88 0.44 -2.26 2.46 3.14 -1.20 -4.92 118.33 114.11 1ucp n VAL 30 Ca 0.00 -0.08 -0.42 0.00 -2.96 0.00 0.00 64.34 60.88 1ucp n VAL 30 Cb 0.00 -2.14 -0.03 0.00 -1.06 0.00 0.00 33.84 30.61 1ucp n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ucp s PRO 31 N 3.06 4.30 0.90 1.45 0.04 -1.26 -4.95 135.00 138.53 1ucp s PRO 31 Ca 0.84 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.68 1ucp s PRO 31 Cb -0.49 -3.56 0.18 0.00 0.04 0.00 0.00 34.50 30.68 1ucp s PRO 31 CO 0.39 -0.55 1.23 -1.17 0.04 0.00 0.00 177.00 176.94 1ucp s LEU 32 N 2.32 2.80 0.77 -3.56 2.96 -1.26 -5.05 118.68 117.66 1ucp s LEU 32 Ca 0.62 0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 1ucp s LEU 32 Cb -0.30 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.28 1ucp s LEU 32 CO 0.26 -2.51 1.08 -0.13 -1.32 0.00 0.00 176.35 173.73 1ucp s ARG 33 N -5.68 2.29 0.57 1.98 0.52 -1.26 -5.05 118.95 112.32 1ucp s ARG 33 Ca 0.72 0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 56.72 1ucp s ARG 33 Cb -0.04 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.49 1ucp s ARG 33 CO 0.51 -1.53 0.92 -2.00 0.02 0.00 0.00 175.30 173.21 1ucp s GLU 34 N -5.04 3.32 0.00 3.54 2.56 -1.26 -3.76 118.70 118.06 1ucp s GLU 34 Ca 0.60 0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.91 1ucp s GLU 34 Cb -0.15 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 33.75 1ucp s GLU 34 CO 0.55 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 175.14 1ucp n GLY 35 N -2.57 1.97 3.37 -1.50 0.00 -1.26 -4.94 105.19 100.27 1ucp n GLY 35 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1ucp n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucp s TYR 36 N -2.80 1.84 0.20 1.61 1.51 -1.25 -5.18 117.35 113.27 1ucp s TYR 36 Ca 0.00 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1ucp s TYR 36 Cb 0.00 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 41.01 1ucp s TYR 36 CO 0.00 0.43 0.07 0.41 -1.11 0.00 0.00 175.55 175.35 1ucp n GLY 37 N -0.36 3.50 2.97 0.71 0.00 -1.26 -4.80 105.19 105.95 1ucp n GLY 37 Ca -0.08 -2.25 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 1ucp n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ucp s ARG 38 N -2.75 0.60 -0.21 1.61 0.52 -1.26 -4.88 118.95 112.57 1ucp s ARG 38 Ca 0.05 -0.22 -0.26 0.00 -0.52 0.00 0.00 55.73 54.79 1ucp s ARG 38 Cb -0.00 -0.58 -0.01 0.00 0.52 0.00 0.00 34.95 34.88 1ucp s ARG 38 CO 0.03 0.11 0.87 0.42 0.02 0.00 0.00 175.30 176.74 1ucp s ILE 39 N 0.03 4.83 0.68 1.52 1.01 -1.26 -5.02 121.20 122.99 1ucp s ILE 39 Ca -0.00 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 1ucp s ILE 39 Cb -0.05 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1ucp s ILE 39 CO -0.00 -0.05 1.09 -2.16 0.00 0.00 0.00 174.94 173.82 1ucp s PRO 40 N 2.63 2.76 0.26 2.79 0.04 -1.26 -4.57 135.00 137.64 1ucp s PRO 40 Ca 0.38 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 1ucp s PRO 40 Cb -0.16 -1.95 0.33 0.00 0.04 0.00 0.00 34.50 32.76 1ucp s PRO 40 CO 0.09 -1.27 1.88 -0.09 0.04 0.00 0.00 177.00 177.66 1ucp h ARG 41 N -0.23 1.11 -0.44 4.56 1.12 -1.93 -0.91 114.38 117.66 1ucp h ARG 41 Ca -0.46 -0.13 -0.03 0.00 -1.11 0.00 0.00 59.98 58.26 1ucp h ARG 41 Cb 1.24 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1ucp h ARG 41 CO 0.54 0.82 0.16 0.78 -3.11 0.00 0.00 179.97 179.16 1ucp h GLY 42 N 1.14 0.71 0.85 2.80 0.00 -1.93 0.38 103.07 107.02 1ucp h GLY 42 Ca 0.28 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1ucp h GLY 42 CO -0.04 0.37 -0.02 0.00 0.00 0.00 0.00 176.54 176.84 1ucp h ALA 43 N 1.01 0.04 -0.69 3.60 0.00 -1.87 -1.46 119.26 119.90 1ucp h ALA 43 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1ucp h ALA 43 Cb 0.21 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ucp h ALA 43 CO -0.01 -0.50 0.43 -0.07 0.00 0.00 0.00 179.25 179.11 1ucp h LEU 44 N -0.01 0.71 -1.09 0.00 3.38 -0.70 0.19 115.31 117.80 1ucp h LEU 44 Ca 0.04 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1ucp h LEU 44 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ucp h LEU 44 CO -0.08 0.50 -0.42 -0.07 0.09 0.00 0.00 178.44 178.46 1ucp h LEU 45 N 0.85 0.07 -0.78 1.67 -0.00 -0.79 -2.61 115.31 113.72 1ucp h LEU 45 Ca 0.27 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.10 1ucp h LEU 45 Cb 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1ucp h LEU 45 CO -0.10 0.49 -0.12 0.77 -0.00 0.00 0.00 178.44 179.47 1ucp h SER 46 N 0.06 0.00 -3.76 -0.43 4.64 -0.30 -3.44 113.55 110.32 1ucp h SER 46 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1ucp h SER 46 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1ucp h SER 46 CO 0.06 0.12 0.13 -0.04 -0.87 0.00 0.00 176.83 176.23 1ucp s MET 47 N -3.45 3.96 0.00 4.77 -1.94 -0.04 -5.09 119.30 117.52 1ucp s MET 47 Ca 0.03 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 1ucp s MET 47 Cb 0.08 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.52 1ucp s MET 47 CO 0.63 0.09 0.00 -0.40 -0.01 0.00 0.00 175.02 175.33 1ucp n ASP 48 N -0.64 0.00 -0.05 3.03 5.75 -1.26 -4.86 116.55 118.52 1ucp n ASP 48 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.66 1ucp n ASP 48 Cb 0.53 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 1ucp n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ucp h ALA 49 N -1.03 0.34 0.15 2.12 0.00 -1.94 -2.10 119.26 116.80 1ucp h ALA 49 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1ucp h ALA 49 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ucp h ALA 49 CO 0.00 0.57 -0.07 1.25 0.00 0.00 0.00 179.25 180.99 1ucp h LEU 50 N 0.45 -0.18 -0.48 0.00 6.46 -1.96 -0.15 115.31 119.47 1ucp h LEU 50 Ca -0.02 -0.31 0.09 0.00 -0.12 0.00 0.00 57.88 57.52 1ucp h LEU 50 Cb 1.19 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 1ucp h LEU 50 CO 0.12 0.25 -0.00 0.44 -0.62 0.00 0.00 178.44 178.63 1ucp h ASP 51 N -0.65 -0.21 0.30 1.25 3.32 -1.95 -0.89 116.42 117.60 1ucp h ASP 51 Ca -0.02 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ucp h ASP 51 Cb 0.48 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1ucp h ASP 51 CO 0.03 -0.07 -0.40 0.25 -1.72 0.00 0.00 179.24 177.34 1ucp h LEU 52 N 0.11 -1.13 -0.57 1.55 5.85 -1.32 -0.17 115.31 119.64 1ucp h LEU 52 Ca 0.24 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.17 1ucp h LEU 52 Cb 0.36 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.66 1ucp h LEU 52 CO -0.40 -0.49 -0.25 0.74 -0.34 0.00 0.00 178.44 177.70 1ucp h THR 53 N -0.72 0.27 -0.41 1.05 2.02 -0.30 0.40 112.91 115.22 1ucp h THR 53 Ca -0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1ucp h THR 53 Cb 0.65 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ucp h THR 53 CO -0.10 0.00 -0.17 0.44 0.37 0.00 0.00 175.52 176.06 1ucp h ASP 54 N -0.11 0.85 0.62 4.18 3.32 -1.14 -1.82 116.42 122.32 1ucp h ASP 54 Ca 0.25 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1ucp h ASP 54 Cb 0.51 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1ucp h ASP 54 CO -0.64 1.06 -0.30 0.50 -1.72 0.00 0.00 179.24 178.14 1ucp h LYS 55 N 0.65 -0.80 -0.63 3.56 1.63 -0.11 -1.74 116.57 119.12 1ucp h LYS 55 Ca 0.09 0.05 0.13 0.00 -0.85 0.00 0.00 60.65 60.08 1ucp h LYS 55 Cb 0.72 0.18 -0.11 0.00 -0.60 0.00 0.00 32.23 32.43 1ucp h LYS 55 CO 0.05 -0.53 0.01 1.25 -3.45 0.00 0.00 179.45 176.78 1ucp h LEU 56 N -0.88 -0.27 0.25 5.20 7.12 -0.27 0.27 115.31 126.72 1ucp h LEU 56 Ca -0.08 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1ucp h LEU 56 Cb 0.64 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1ucp h LEU 56 CO 0.14 -0.12 -0.12 0.58 -0.13 0.00 0.00 178.44 178.79 1ucp h VAL 57 N 0.12 0.76 -0.24 1.05 2.07 -1.39 -2.72 116.25 115.90 1ucp h VAL 57 Ca 0.33 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1ucp h VAL 57 Cb 0.54 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1ucp h VAL 57 CO -0.54 0.15 0.06 -1.28 0.02 0.00 0.00 177.57 175.98 1ucp h SER 58 N -0.79 0.30 1.50 0.57 0.87 -0.66 -1.22 113.55 114.12 1ucp h SER 58 Ca -0.03 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1ucp h SER 58 Cb 0.51 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1ucp h SER 58 CO 0.06 0.31 -0.09 0.15 -0.53 0.00 0.00 176.83 176.73 1ucp h PHE 59 N 0.33 0.00 0.00 2.24 3.57 -0.56 -3.43 116.94 119.09 1ucp h PHE 59 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ucp h PHE 59 Cb 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ucp h PHE 59 CO 0.00 0.09 0.00 0.66 -2.23 0.00 0.00 178.31 176.83 1ucp n TYR 60 N -3.15 0.00 -3.67 0.41 4.01 -0.65 -4.76 117.16 109.35 1ucp n TYR 60 Ca 0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.70 1ucp n TYR 60 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 1ucp n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ucp s LEU 61 N 0.00 -0.28 0.06 7.72 2.01 -0.55 -5.00 118.68 122.65 1ucp s LEU 61 Ca 0.00 -0.29 -0.26 0.00 0.01 0.00 0.00 54.13 53.59 1ucp s LEU 61 Cb 0.00 2.26 -0.17 0.00 0.01 0.00 0.00 46.19 48.30 1ucp s LEU 61 CO 0.00 -0.91 1.60 -0.33 1.01 0.00 0.00 176.35 177.72 1ucp h GLU 62 N 2.00 -0.28 0.72 1.70 3.07 -1.94 0.91 114.58 120.77 1ucp h GLU 62 Ca -0.24 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.61 1ucp h GLU 62 Cb 1.25 0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.23 1ucp h GLU 62 CO 0.28 -0.12 -0.35 1.15 -1.40 0.00 0.00 179.01 178.57 1ucp h THR 63 N -0.38 0.28 -0.38 1.13 2.02 -1.98 -1.55 112.91 112.07 1ucp h THR 63 Ca -0.03 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1ucp h THR 63 Cb 0.29 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1ucp h THR 63 CO 0.05 0.00 0.04 0.22 0.37 0.00 0.00 175.52 176.20 1ucp h TYR 64 N -0.99 0.59 0.07 3.16 5.03 -1.96 -1.29 116.97 121.56 1ucp h TYR 64 Ca -0.10 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.16 1ucp h TYR 64 Cb 0.75 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.86 1ucp h TYR 64 CO -0.02 0.54 -0.03 0.78 -1.32 0.00 0.00 178.16 178.11 1ucp h GLY 65 N 0.83 -0.09 1.17 1.82 0.00 -0.54 0.14 103.07 106.39 1ucp h GLY 65 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 1ucp h GLY 65 CO 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 176.54 176.68 1ucp h ALA 66 N 0.62 1.05 0.25 3.60 0.00 -1.13 -0.77 119.26 122.87 1ucp h ALA 66 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ucp h ALA 66 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ucp h ALA 66 CO 0.02 0.63 -0.12 1.49 0.00 0.00 0.00 179.25 181.26 1ucp h GLU 67 N 0.99 -0.32 -0.33 0.00 4.81 -1.06 -1.76 114.58 116.90 1ucp h GLU 67 Ca 0.21 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1ucp h GLU 67 Cb 0.34 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 1ucp h GLU 67 CO -0.00 -0.19 -0.20 1.25 -0.73 0.00 0.00 179.01 179.14 1ucp h LEU 68 N -0.37 -0.66 0.06 1.64 6.46 -0.59 0.61 115.31 122.47 1ucp h LEU 68 Ca -0.03 0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1ucp h LEU 68 Cb 0.28 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1ucp h LEU 68 CO 0.06 -0.23 -0.19 0.74 -0.62 0.00 0.00 178.44 178.20 1ucp h THR 69 N -0.15 0.57 -0.96 1.05 2.02 -0.87 0.97 112.91 115.54 1ucp h THR 69 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 1ucp h THR 69 Cb 0.41 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1ucp h THR 69 CO -0.42 0.00 0.64 0.00 0.37 0.00 0.00 175.52 176.10 1ucp h ALA 70 N 0.52 1.34 0.23 6.16 0.00 -1.02 0.85 119.26 127.34 1ucp h ALA 70 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ucp h ALA 70 Cb 0.37 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ucp h ALA 70 CO -0.13 0.59 -0.14 -0.97 0.00 0.00 0.00 179.25 178.60 1ucp h ASN 71 N 1.27 -0.35 -0.13 0.00 -0.73 0.40 0.15 115.58 116.19 1ucp h ASN 71 Ca 0.37 0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.45 1ucp h ASN 71 Cb -0.08 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1ucp h ASN 71 CO -0.09 -0.23 -0.27 0.58 -0.37 0.00 0.00 177.43 177.04 1ucp h VAL 72 N -0.36 1.27 0.05 2.57 2.07 -0.72 0.12 116.25 121.25 1ucp h VAL 72 Ca -0.02 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1ucp h VAL 72 Cb 0.30 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1ucp h VAL 72 CO 0.02 0.44 -0.03 -0.07 0.02 0.00 0.00 177.57 177.95 1ucp h LEU 73 N 0.52 -0.06 -1.92 2.57 3.38 -0.59 -1.36 115.31 117.85 1ucp h LEU 73 Ca 0.07 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ucp h LEU 73 Cb 0.74 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ucp h LEU 73 CO 0.06 0.12 0.07 -0.09 0.09 0.00 0.00 178.44 178.69 1ucp h ARG 74 N -0.24 0.10 -0.78 1.13 2.43 -0.49 0.11 114.38 116.64 1ucp h ARG 74 Ca -0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ucp h ARG 74 Cb 0.21 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1ucp h ARG 74 CO 0.01 0.07 0.37 0.22 -1.51 0.00 0.00 179.97 179.13 1ucp h ASP 75 N 0.11 1.03 0.26 -3.80 1.82 -0.15 -0.11 116.42 115.58 1ucp h ASP 75 Ca 0.04 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1ucp h ASP 75 Cb 0.04 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1ucp h ASP 75 CO -0.01 0.88 0.00 0.23 -1.61 0.00 0.00 179.24 178.73 1ucp n MET 76 N -4.36 0.11 -0.64 0.28 2.81 -0.37 -4.81 117.12 110.14 1ucp n MET 76 Ca 0.07 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1ucp n MET 76 Cb 0.14 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1ucp n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ucp n GLY 77 N -0.34 0.67 2.96 3.03 0.00 -0.06 -5.00 105.19 106.46 1ucp n GLY 77 Ca 0.05 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1ucp n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ucp n LEU 78 N 0.00 6.51 0.12 0.99 0.00 -0.11 -4.81 117.00 119.69 1ucp n LEU 78 Ca 0.00 -5.07 -0.03 0.00 0.00 0.00 0.00 56.01 50.91 1ucp n LEU 78 Cb 0.00 -1.32 0.16 0.00 0.00 0.00 0.00 43.42 42.25 1ucp n LEU 78 CO 0.00 1.62 0.50 0.06 0.00 0.00 0.00 177.39 179.57 1ucp h GLN 79 N 5.50 0.10 0.12 1.96 3.07 -1.84 -3.13 115.11 120.89 1ucp h GLN 79 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 1ucp h GLN 79 Cb 0.61 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1ucp h GLN 79 CO 1.42 0.67 -0.06 1.05 0.09 0.00 0.00 178.83 182.00 1ucp h GLU 80 N 0.08 -0.15 -0.02 0.06 4.11 -1.96 0.11 114.58 116.81 1ucp h GLU 80 Ca -0.01 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1ucp h GLU 80 Cb 1.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1ucp h GLU 80 CO 0.08 0.07 -0.07 1.98 0.07 0.00 0.00 179.01 181.14 1ucp h MET 81 N -0.35 -0.11 -0.89 1.06 4.05 -1.99 -1.97 114.93 114.73 1ucp h MET 81 Ca -0.02 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.54 1ucp h MET 81 Cb 0.29 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.03 1ucp h MET 81 CO 0.03 -0.07 0.51 0.00 0.23 0.00 0.00 176.91 177.60 1ucp h ALA 82 N 0.89 1.34 0.64 0.39 0.00 -1.49 0.13 119.26 121.16 1ucp h ALA 82 Ca 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 82 Cb 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ucp h ALA 82 CO -0.09 0.05 -0.31 0.78 0.00 0.00 0.00 179.25 179.68 1ucp h GLY 83 N 0.78 -0.89 1.47 0.00 0.00 -0.53 -1.56 103.07 102.34 1ucp h GLY 83 Ca 0.46 0.33 -0.05 0.00 0.00 0.00 0.00 47.33 48.07 1ucp h GLY 83 CO -0.30 -0.32 0.05 1.46 0.00 0.00 0.00 176.54 177.42 1ucp h GLN 84 N -0.87 0.66 -0.08 4.80 4.20 -1.08 -0.67 115.11 122.08 1ucp h GLN 84 Ca -0.09 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.51 1ucp h GLN 84 Cb 0.65 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1ucp h GLN 84 CO 0.14 0.64 -0.08 1.25 -0.67 0.00 0.00 178.83 180.11 1ucp h LEU 85 N 0.63 -0.26 0.36 1.46 5.85 -0.77 0.20 115.31 122.77 1ucp h LEU 85 Ca 0.14 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ucp h LEU 85 Cb 0.33 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ucp h LEU 85 CO 0.01 -0.12 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.16 1ucp h GLN 86 N -0.11 -0.53 -0.05 1.25 4.15 -0.87 -1.91 115.11 117.04 1ucp h GLN 86 Ca 0.06 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.53 1ucp h GLN 86 Cb 0.20 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ucp h GLN 86 CO -0.15 -0.35 0.05 0.00 -1.93 0.00 0.00 178.83 176.45 1ucp h ALA 87 N 0.07 1.81 -0.07 3.38 0.00 -0.66 0.40 119.26 124.19 1ucp h ALA 87 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ucp h ALA 87 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ucp h ALA 87 CO 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 1ucp h ALA 88 N 1.96 0.10 -0.11 0.00 0.00 -0.39 -2.94 119.26 117.87 1ucp h ALA 88 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ucp h ALA 88 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ucp h ALA 88 CO -0.00 -0.13 -0.06 1.15 0.00 0.00 0.00 179.25 180.21 1ucp h THR 89 N -0.26 1.32 -1.48 0.00 2.02 -0.27 -3.44 112.91 110.80 1ucp h THR 89 Ca 0.01 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 65.99 1ucp h THR 89 Cb 0.52 1.82 -0.26 0.00 -1.74 0.00 0.00 68.15 68.49 1ucp h THR 89 CO 0.01 0.32 -0.45 -2.28 0.37 0.00 0.00 175.52 173.49 1ucp s HIS 90 N -4.52 -1.25 -2.00 3.16 5.65 0.12 -4.78 115.29 111.67 1ucp s HIS 90 Ca -0.15 0.80 0.07 0.00 0.25 0.00 0.00 55.06 56.03 1ucp s HIS 90 Cb 0.05 0.09 0.42 0.00 -1.18 0.00 0.00 32.58 31.96 1ucp s HIS 90 CO 0.72 -0.94 0.88 0.94 -0.65 0.00 0.00 174.74 175.69