#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 1.56 0.29 -5.12 0.00 -1.26 -4.45 105.19 96.20 1ucp n GLY 2 Ca 0.00 -1.57 0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 0.12 0.38 1.61 2.47 -1.96 0.19 114.38 117.19 1ucp h ARG 3 Ca 0.00 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ucp h ARG 3 Cb 0.00 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 1ucp h ARG 3 CO 0.00 0.08 -0.48 0.00 0.56 0.00 0.00 179.97 180.13 1ucp h ALA 4 N 1.74 -1.02 -0.66 0.04 0.00 -1.87 0.50 119.26 117.98 1ucp h ALA 4 Ca 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ucp h ALA 4 Cb 0.83 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1ucp h ALA 4 CO -0.67 -1.12 0.28 0.00 0.00 0.00 0.00 179.25 177.73 1ucp h ARG 5 N -0.89 0.98 -0.79 0.00 3.08 -1.40 -1.42 114.38 113.94 1ucp h ARG 5 Ca -0.04 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 1ucp h ARG 5 Cb 0.81 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1ucp h ARG 5 CO -0.12 0.82 0.31 -0.44 -1.07 0.00 0.00 179.97 179.47 1ucp h ASP 6 N 0.93 1.09 -0.06 7.04 3.32 -0.48 -0.19 116.42 128.08 1ucp h ASP 6 Ca 0.22 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.87 1ucp h ASP 6 Cb 0.19 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.47 1ucp h ASP 6 CO -0.02 0.97 -0.84 0.00 -1.72 0.00 0.00 179.24 177.63 1ucp h ALA 7 N 1.17 0.19 -0.28 3.45 0.00 -0.74 -1.26 119.26 121.78 1ucp h ALA 7 Ca 0.26 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ucp h ALA 7 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ucp h ALA 7 CO -0.02 0.61 0.17 0.82 0.00 0.00 0.00 179.25 180.83 1ucp h ILE 8 N 0.35 1.10 0.14 0.00 2.04 -1.07 -0.07 117.51 120.00 1ucp h ILE 8 Ca -0.09 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1ucp h ILE 8 Cb 1.49 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1ucp h ILE 8 CO 0.17 0.10 -0.48 0.25 0.00 0.00 0.00 178.15 178.19 1ucp h LEU 9 N 0.37 -1.42 -1.40 1.44 7.12 -1.03 -0.91 115.31 119.47 1ucp h LEU 9 Ca 0.10 0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.27 1ucp h LEU 9 Cb 0.00 0.52 -0.03 0.00 -0.53 0.00 0.00 40.66 40.63 1ucp h LEU 9 CO -0.02 -0.54 0.41 0.44 -0.13 0.00 0.00 178.44 178.60 1ucp h ASP 10 N -0.73 0.70 0.14 1.25 3.32 -1.06 -1.01 116.42 119.04 1ucp h ASP 10 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1ucp h ASP 10 Cb 0.73 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1ucp h ASP 10 CO -0.26 0.50 -0.07 0.00 -1.72 0.00 0.00 179.24 177.70 1ucp h ALA 11 N 1.62 -0.19 -0.78 3.45 0.00 -0.59 -0.91 119.26 121.87 1ucp h ALA 11 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ucp h ALA 11 Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ucp h ALA 11 CO -0.05 -0.56 0.51 -0.07 0.00 0.00 0.00 179.25 179.08 1ucp h LEU 12 N -0.29 0.86 -0.69 0.00 4.07 -0.42 -1.87 115.31 116.97 1ucp h LEU 12 Ca -0.02 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1ucp h LEU 12 Cb 0.23 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1ucp h LEU 12 CO 0.03 0.61 0.43 -0.33 -1.08 0.00 0.00 178.44 178.10 1ucp h GLU 13 N 1.02 0.81 0.00 1.13 4.39 -1.12 -1.31 114.58 119.50 1ucp h GLU 13 Ca 0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1ucp h GLU 13 Cb -0.07 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1ucp h GLU 13 CO -0.08 0.53 0.00 -0.91 -1.16 0.00 0.00 179.01 177.39 1ucp h ASN 14 N 0.83 0.00 -3.88 1.42 2.35 -0.36 -3.44 115.58 112.50 1ucp h ASN 14 Ca 0.28 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.55 1ucp h ASN 14 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ucp h ASN 14 CO -0.12 0.00 0.21 -0.76 -1.65 0.00 0.00 177.43 175.11 1ucp s LEU 15 N -5.19 3.86 0.61 1.61 1.43 -0.49 -5.09 118.68 115.42 1ucp s LEU 15 Ca 0.01 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1ucp s LEU 15 Cb 0.09 -4.23 0.08 0.00 0.03 0.00 0.00 46.19 42.16 1ucp s LEU 15 CO 0.41 -0.38 0.85 0.42 0.23 0.00 0.00 176.35 177.88 1ucp s THR 16 N -2.29 2.41 0.21 5.49 -4.23 -1.26 -4.83 115.64 111.13 1ucp s THR 16 Ca 0.55 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 1ucp s THR 16 Cb -0.10 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 71.16 1ucp s THR 16 CO 0.25 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 176.09 1ucp h ALA 17 N -0.12 0.83 0.00 3.99 0.00 -1.98 0.23 119.26 122.21 1ucp h ALA 17 Ca -0.38 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1ucp h ALA 17 Cb 1.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ucp h ALA 17 CO 0.46 -0.11 -0.75 1.49 0.00 0.00 0.00 179.25 180.34 1ucp h GLU 18 N 0.51 0.00 -0.22 0.00 4.57 -1.98 0.70 114.58 118.15 1ucp h GLU 18 Ca 0.31 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.41 1ucp h GLU 18 Cb 0.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1ucp h GLU 18 CO -0.26 0.75 -0.15 0.93 -1.18 0.00 0.00 179.01 179.10 1ucp h GLU 19 N 0.00 0.49 -0.47 1.92 4.39 -1.77 -1.44 114.58 117.70 1ucp h GLU 19 Ca -0.01 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1ucp h GLU 19 Cb 1.38 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1ucp h GLU 19 CO 0.10 0.79 0.25 -0.07 -1.16 0.00 0.00 179.01 178.91 1ucp h LEU 20 N 0.18 0.56 0.76 1.33 3.38 -0.41 0.22 115.31 121.33 1ucp h LEU 20 Ca 0.04 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ucp h LEU 20 Cb 0.67 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ucp h LEU 20 CO 0.04 0.46 -0.36 0.50 0.09 0.00 0.00 178.44 179.17 1ucp h LYS 21 N 0.64 -0.98 -0.42 1.13 1.63 -0.61 0.54 116.57 118.50 1ucp h LYS 21 Ca 0.17 0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1ucp h LYS 21 Cb 0.03 0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 1ucp h LYS 21 CO -0.03 -0.64 0.23 0.87 -3.45 0.00 0.00 179.45 176.44 1ucp h LYS 22 N -1.08 0.57 0.51 1.90 1.57 -0.95 -1.18 116.57 117.91 1ucp h LYS 22 Ca -0.10 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1ucp h LYS 22 Cb 0.79 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1ucp h LYS 22 CO 0.17 0.41 -0.25 0.35 -0.57 0.00 0.00 179.45 179.57 1ucp h PHE 23 N 0.58 -0.64 -0.57 -1.35 3.57 -0.37 0.18 116.94 118.33 1ucp h PHE 23 Ca 0.15 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.77 1ucp h PHE 23 Cb 0.01 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1ucp h PHE 23 CO 0.00 -0.35 0.40 0.87 -2.23 0.00 0.00 178.31 177.00 1ucp h LYS 24 N -0.80 0.15 0.00 1.11 1.57 -0.40 0.24 116.57 118.44 1ucp h LYS 24 Ca -0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ucp h LYS 24 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ucp h LYS 24 CO 0.12 0.10 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.01 1ucp h LEU 25 N 0.15 0.01 -1.24 2.94 3.38 -0.99 -3.36 115.31 116.20 1ucp h LEU 25 Ca 0.27 -0.97 0.06 0.00 0.09 0.00 0.00 57.88 57.34 1ucp h LEU 25 Cb 0.87 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1ucp h LEU 25 CO -0.04 0.98 0.54 0.11 0.09 0.00 0.00 178.44 180.12 1ucp h LYS 26 N -0.95 0.90 -0.24 1.13 1.79 0.17 -0.00 116.57 119.37 1ucp h LYS 26 Ca -0.00 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.48 1ucp h LYS 26 Cb 0.98 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1ucp h LYS 26 CO 0.00 0.60 0.36 -0.07 -1.08 0.00 0.00 179.45 179.26 1ucp h LEU 27 N 0.93 0.00 -3.57 2.94 3.38 -0.70 -0.89 115.31 117.41 1ucp h LEU 27 Ca 0.35 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.13 1ucp h LEU 27 Cb 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.65 1ucp h LEU 27 CO -0.12 0.00 -0.86 -0.11 0.09 0.00 0.00 178.44 177.44 1ucp n LEU 28 N -3.46 2.21 0.00 1.67 0.00 -0.12 -4.81 117.00 112.49 1ucp n LEU 28 Ca 0.03 -3.17 0.00 0.00 0.00 0.00 0.00 56.01 52.87 1ucp n LEU 28 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.79 1ucp n LEU 28 CO 0.23 1.11 0.00 -0.24 0.00 0.00 0.00 177.39 178.49 1ucp n SER 29 N -0.37 0.00 -4.73 1.96 2.88 -0.35 -4.97 113.62 108.05 1ucp n SER 29 Ca 0.16 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.28 1ucp n SER 29 Cb 0.92 -0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 64.12 1ucp n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ucp s VAL 30 N -0.77 2.67 0.52 2.46 0.11 -1.19 -4.99 120.40 119.22 1ucp s VAL 30 Ca 0.00 0.51 -0.19 0.00 -2.93 0.00 0.00 61.98 59.37 1ucp s VAL 30 Cb 0.00 -3.33 -0.07 0.00 -1.53 0.00 0.00 36.38 31.46 1ucp s VAL 30 CO 0.00 0.05 1.08 -2.16 -3.33 0.00 0.00 175.10 170.75 1ucp s PRO 31 N 0.60 3.54 0.47 1.54 0.04 -1.26 -4.92 135.00 135.00 1ucp s PRO 31 Ca 0.66 1.46 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1ucp s PRO 31 Cb -0.43 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1ucp s PRO 31 CO 0.35 -0.67 0.67 -1.17 0.04 0.00 0.00 177.00 176.22 1ucp s LEU 32 N -3.74 3.53 0.82 -3.56 2.96 -1.26 -5.10 118.68 112.32 1ucp s LEU 32 Ca 0.69 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 1ucp s LEU 32 Cb -0.20 -2.88 0.08 0.00 0.50 0.00 0.00 46.19 43.70 1ucp s LEU 32 CO 0.25 -0.87 1.10 -0.13 -1.32 0.00 0.00 176.35 175.37 1ucp s ARG 33 N -4.55 1.94 0.67 1.98 0.52 -1.26 -5.04 118.95 113.20 1ucp s ARG 33 Ca 0.53 0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 56.34 1ucp s ARG 33 Cb -0.10 -1.90 0.03 0.00 0.52 0.00 0.00 34.95 33.50 1ucp s ARG 33 CO 0.36 -1.73 1.02 -2.00 0.02 0.00 0.00 175.30 172.96 1ucp s GLU 34 N -5.11 2.69 0.00 3.54 2.12 -1.26 -3.90 118.70 116.78 1ucp s GLU 34 Ca 0.61 0.13 0.00 0.00 0.36 0.00 0.00 54.97 56.07 1ucp s GLU 34 Cb -0.15 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1ucp s GLU 34 CO 0.55 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1ucp n GLY 35 N -2.86 1.21 3.35 -1.50 0.00 -1.26 -5.02 105.19 99.12 1ucp n GLY 35 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.38 1.73 0.47 1.61 2.02 -1.25 -5.16 117.35 114.39 1ucp s TYR 36 Ca 0.00 -0.61 -0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1ucp s TYR 36 Cb 0.00 -0.84 0.09 0.00 -0.40 0.00 0.00 41.96 40.81 1ucp s TYR 36 CO 0.00 0.33 0.65 0.41 -1.57 0.00 0.00 175.55 175.36 1ucp n GLY 37 N -0.41 0.68 2.95 0.71 0.00 -1.26 -4.94 105.19 102.93 1ucp n GLY 37 Ca -0.08 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 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 -4.15 0.31 -0.21 1.61 1.81 -1.26 -4.92 118.95 112.14 1ucp s ARG 38 Ca 0.43 -0.27 0.01 0.00 -1.72 0.00 0.00 55.73 54.19 1ucp s ARG 38 Cb -0.02 -0.22 0.03 0.00 -0.45 0.00 0.00 34.95 34.29 1ucp s ARG 38 CO 0.28 0.05 -0.17 0.42 -0.68 0.00 0.00 175.30 175.21 1ucp s ILE 39 N -0.42 2.15 0.73 1.52 1.01 -1.26 -5.12 121.20 119.80 1ucp s ILE 39 Ca -0.02 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 1ucp s ILE 39 Cb -0.03 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1ucp s ILE 39 CO -0.00 0.36 1.07 -2.16 0.00 0.00 0.00 174.94 174.21 1ucp s PRO 40 N 1.24 2.66 0.48 2.79 0.04 -1.26 -4.63 135.00 136.32 1ucp s PRO 40 Ca 0.01 1.06 0.20 0.00 0.04 0.00 0.00 61.00 62.30 1ucp s PRO 40 Cb -0.15 -1.95 1.22 0.00 0.04 0.00 0.00 34.50 33.66 1ucp s PRO 40 CO -0.10 -1.32 2.04 -0.09 0.04 0.00 0.00 177.00 177.57 1ucp h ARG 41 N -0.85 0.00 -0.23 4.56 1.12 -1.93 -1.53 114.38 115.51 1ucp h ARG 41 Ca -0.44 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.41 1ucp h ARG 41 Cb 1.22 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1ucp h ARG 41 CO 0.54 0.14 0.07 0.78 -3.11 0.00 0.00 179.97 178.40 1ucp h GLY 42 N 0.57 0.38 0.93 2.80 0.00 -1.95 -0.76 103.07 105.05 1ucp h GLY 42 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ucp h GLY 42 CO 0.02 0.21 0.06 0.00 0.00 0.00 0.00 176.54 176.83 1ucp h ALA 43 N 0.90 0.14 -0.82 3.60 0.00 -1.80 -1.68 119.26 119.60 1ucp h ALA 43 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ucp h ALA 43 Cb 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1ucp h ALA 43 CO -0.00 -0.32 0.51 -0.07 0.00 0.00 0.00 179.25 179.36 1ucp h LEU 44 N 0.08 0.81 -0.83 0.00 3.38 -1.19 -1.07 115.31 116.48 1ucp h LEU 44 Ca 0.04 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1ucp h LEU 44 Cb 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ucp h LEU 44 CO -0.01 0.53 -0.16 -0.07 0.09 0.00 0.00 178.44 178.82 1ucp h LEU 45 N 0.94 0.69 -1.11 1.67 -0.00 -1.03 -2.94 115.31 113.53 1ucp h LEU 45 Ca 0.35 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1ucp h LEU 45 Cb 0.13 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.57 1ucp h LEU 45 CO -0.16 0.86 0.41 0.77 -0.00 0.00 0.00 178.44 180.33 1ucp h SER 46 N 0.62 0.91 -4.29 -0.43 4.64 -0.26 -3.44 113.55 111.31 1ucp h SER 46 Ca 0.10 -0.07 -0.49 0.00 -0.47 0.00 0.00 61.79 60.86 1ucp h SER 46 Cb 0.63 -0.23 0.11 0.00 -0.31 0.00 0.00 62.40 62.60 1ucp h SER 46 CO 0.04 0.73 0.34 -0.04 -0.87 0.00 0.00 176.83 177.03 1ucp s MET 47 N -5.70 2.23 0.00 4.77 -1.94 -0.57 -5.10 119.30 112.99 1ucp s MET 47 Ca -0.11 0.73 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 1ucp s MET 47 Cb 0.17 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 35.08 1ucp s MET 47 CO 0.80 -1.54 0.00 -0.40 -0.01 0.00 0.00 175.02 173.87 1ucp n ASP 48 N -3.40 1.79 0.02 3.03 5.75 -1.26 -4.90 116.55 117.59 1ucp n ASP 48 Ca 0.07 -0.06 -0.13 0.00 -0.01 0.00 0.00 54.79 54.66 1ucp n ASP 48 Cb 0.56 0.00 -0.08 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 1.00 -0.02 0.10 2.12 0.00 -1.95 0.22 119.26 120.73 1ucp h ALA 49 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ucp h ALA 49 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ucp h ALA 49 CO 0.00 -0.39 -0.05 1.25 0.00 0.00 0.00 179.25 180.06 1ucp h LEU 50 N -0.26 -0.12 -0.26 0.00 6.46 -1.97 -0.58 115.31 118.58 1ucp h LEU 50 Ca -0.00 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1ucp h LEU 50 Cb 0.25 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1ucp h LEU 50 CO 0.00 0.01 0.12 0.44 -0.62 0.00 0.00 178.44 178.40 1ucp h ASP 51 N -0.23 0.35 -0.10 1.25 5.19 -1.95 -1.85 116.42 119.08 1ucp h ASP 51 Ca -0.01 -0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.29 1ucp h ASP 51 Cb 0.19 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1ucp h ASP 51 CO 0.02 0.38 -0.04 0.25 -3.12 0.00 0.00 179.24 176.74 1ucp h LEU 52 N 0.29 -0.13 0.17 1.55 6.46 -0.87 -0.29 115.31 122.49 1ucp h LEU 52 Ca 0.09 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1ucp h LEU 52 Cb 0.13 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1ucp h LEU 52 CO -0.01 -0.05 -0.49 0.74 -0.62 0.00 0.00 178.44 178.01 1ucp h THR 53 N -0.02 0.06 -0.37 1.05 2.02 -0.61 0.23 112.91 115.28 1ucp h THR 53 Ca 0.05 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1ucp h THR 53 Cb 0.10 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1ucp h THR 53 CO -0.11 0.00 -0.14 0.44 0.37 0.00 0.00 175.52 176.08 1ucp h ASP 54 N -0.75 0.65 0.71 4.18 3.32 -1.26 -0.21 116.42 123.07 1ucp h ASP 54 Ca -0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1ucp h ASP 54 Cb 0.75 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1ucp h ASP 54 CO -0.24 0.82 -0.34 0.50 -1.72 0.00 0.00 179.24 178.25 1ucp h LYS 55 N 0.60 -0.92 -0.25 3.56 3.11 -0.66 -1.38 116.57 120.63 1ucp h LYS 55 Ca 0.10 0.06 0.05 0.00 -2.81 0.00 0.00 60.65 58.06 1ucp h LYS 55 Cb 0.59 0.21 -0.05 0.00 -1.00 0.00 0.00 32.23 31.97 1ucp h LYS 55 CO 0.04 -0.59 -0.09 1.25 -2.81 0.00 0.00 179.45 177.24 1ucp h LEU 56 N -1.18 -0.33 -0.31 5.20 7.12 -0.45 0.17 115.31 125.54 1ucp h LEU 56 Ca -0.10 0.09 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1ucp h LEU 56 Cb 0.76 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.07 1ucp h LEU 56 CO 0.16 -0.12 0.15 0.58 -0.13 0.00 0.00 178.44 179.08 1ucp h VAL 57 N -0.05 1.15 -0.06 1.05 2.07 -1.08 -1.16 116.25 118.18 1ucp h VAL 57 Ca 0.13 -0.44 -0.22 0.00 0.82 0.00 0.00 66.70 66.99 1ucp h VAL 57 Cb 0.24 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ucp h VAL 57 CO -0.29 0.16 -0.86 -1.28 0.02 0.00 0.00 177.57 175.33 1ucp h SER 58 N 0.36 0.69 0.29 0.57 0.87 -0.75 -2.03 113.55 113.56 1ucp h SER 58 Ca 0.11 -0.50 -0.14 0.00 -1.23 0.00 0.00 61.79 60.03 1ucp h SER 58 Cb 0.12 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1ucp h SER 58 CO -0.01 1.28 -0.55 0.15 -0.53 0.00 0.00 176.83 177.16 1ucp h PHE 59 N 0.36 0.35 0.00 2.24 3.57 -0.63 -3.41 116.94 119.42 1ucp h PHE 59 Ca -0.07 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1ucp h PHE 59 Cb 1.48 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1ucp h PHE 59 CO 0.07 0.77 0.00 0.66 -2.23 0.00 0.00 178.31 177.58 1ucp n TYR 60 N -3.92 0.00 -3.84 0.41 4.01 -0.44 -4.74 117.16 108.63 1ucp n TYR 60 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 1ucp n TYR 60 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.60 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 -0.21 0.01 7.72 2.01 -0.76 -4.98 118.68 122.46 1ucp s LEU 61 Ca 0.00 -0.66 -0.25 0.00 0.01 0.00 0.00 54.13 53.23 1ucp s LEU 61 Cb 0.00 2.68 -0.17 0.00 0.01 0.00 0.00 46.19 48.71 1ucp s LEU 61 CO 0.00 -1.34 1.25 -0.33 1.01 0.00 0.00 176.35 176.94 1ucp h GLU 62 N 2.00 -0.37 0.31 1.70 3.07 -1.91 0.17 114.58 119.55 1ucp h GLU 62 Ca -0.21 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 1ucp h GLU 62 Cb 1.25 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1ucp h GLU 62 CO 0.26 -0.05 -0.15 1.15 -1.40 0.00 0.00 179.01 178.82 1ucp h THR 63 N -0.73 0.71 0.00 1.13 2.02 -1.98 -0.33 112.91 113.73 1ucp h THR 63 Ca -0.04 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1ucp h THR 63 Cb 0.49 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1ucp h THR 63 CO 0.06 0.02 -0.11 0.22 0.37 0.00 0.00 175.52 176.08 1ucp h TYR 64 N -0.46 0.00 -0.20 3.16 3.20 -1.95 -1.16 116.97 119.56 1ucp h TYR 64 Ca -0.04 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1ucp h TYR 64 Cb 0.35 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1ucp h TYR 64 CO -0.04 0.11 -0.02 0.78 -1.64 0.00 0.00 178.16 177.35 1ucp h GLY 65 N 0.95 0.40 1.07 1.82 0.00 0.15 0.12 103.07 107.58 1ucp h GLY 65 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1ucp h GLY 65 CO 0.01 0.28 0.24 0.00 0.00 0.00 0.00 176.54 177.07 1ucp h ALA 66 N 0.77 1.00 0.29 3.60 0.00 -0.61 -0.03 119.26 124.28 1ucp h ALA 66 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ucp h ALA 66 Cb 0.43 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ucp h ALA 66 CO 0.01 0.67 -0.17 1.49 0.00 0.00 0.00 179.25 181.25 1ucp h GLU 67 N 1.12 -0.43 0.15 0.00 4.57 -1.09 0.16 114.58 119.06 1ucp h GLU 67 Ca 0.24 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1ucp h GLU 67 Cb 0.31 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1ucp h GLU 67 CO -0.01 -0.28 -0.37 1.25 -1.18 0.00 0.00 179.01 178.42 1ucp h LEU 68 N -0.44 -1.06 0.15 1.64 6.46 -0.63 -1.05 115.31 120.38 1ucp h LEU 68 Ca -0.03 0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1ucp h LEU 68 Cb 0.36 0.40 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1ucp h LEU 68 CO 0.04 -0.45 -0.40 0.74 -0.62 0.00 0.00 178.44 177.75 1ucp h THR 69 N -0.61 0.19 -0.62 1.05 2.02 -0.79 0.28 112.91 114.43 1ucp h THR 69 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1ucp h THR 69 Cb 0.63 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1ucp h THR 69 CO -0.20 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.10 1ucp h ALA 70 N -0.14 1.66 0.67 6.16 0.00 -0.91 0.38 119.26 127.07 1ucp h ALA 70 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ucp h ALA 70 Cb 0.67 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ucp h ALA 70 CO -0.22 0.28 -0.32 -0.97 0.00 0.00 0.00 179.25 178.02 1ucp h ASN 71 N 0.74 -0.76 -0.86 0.00 -1.24 -0.06 0.69 115.58 114.09 1ucp h ASN 71 Ca 0.25 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.27 1ucp h ASN 71 Cb 0.07 0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 1ucp h ASN 71 CO -0.07 -0.40 0.57 0.58 -1.29 0.00 0.00 177.43 176.82 1ucp h VAL 72 N -1.16 1.20 -0.55 2.57 2.07 -0.87 -0.25 116.25 119.27 1ucp h VAL 72 Ca -0.09 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ucp h VAL 72 Cb 0.72 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1ucp h VAL 72 CO 0.15 0.21 0.30 -0.07 0.02 0.00 0.00 177.57 178.18 1ucp h LEU 73 N 1.14 0.69 -1.28 2.57 3.38 -0.88 -1.16 115.31 119.77 1ucp h LEU 73 Ca 0.32 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1ucp h LEU 73 Cb -0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1ucp h LEU 73 CO -0.07 0.59 0.49 -0.09 0.09 0.00 0.00 178.44 179.44 1ucp h ARG 74 N 0.74 0.95 -0.42 1.13 2.43 0.15 -1.08 114.38 118.28 1ucp h ARG 74 Ca 0.19 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1ucp h ARG 74 Cb 0.05 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1ucp h ARG 74 CO -0.03 0.63 0.16 0.22 -1.51 0.00 0.00 179.97 179.44 1ucp h ASP 75 N 0.98 0.54 0.19 -3.80 1.82 -0.23 -0.57 116.42 115.35 1ucp h ASP 75 Ca 0.28 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1ucp h ASP 75 Cb -0.06 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1ucp h ASP 75 CO -0.07 0.50 0.00 0.23 -1.61 0.00 0.00 179.24 178.29 1ucp n MET 76 N -4.37 0.06 0.00 0.28 2.81 -0.41 -4.83 117.12 110.66 1ucp n MET 76 Ca 0.03 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1ucp n MET 76 Cb 0.15 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 -0.69 1.54 3.70 3.03 0.00 -0.22 -5.04 105.19 107.50 1ucp n GLY 77 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ucp n GLY 77 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ucp s LEU 78 N 0.00 4.32 -0.00 0.99 0.20 -1.19 -4.94 118.68 118.06 1ucp s LEU 78 Ca 0.00 1.99 0.00 0.00 0.69 0.00 0.00 54.13 56.81 1ucp s LEU 78 Cb 0.00 -3.57 -0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1ucp s LEU 78 CO 0.00 -0.60 0.00 0.00 -0.29 0.00 0.00 176.35 175.46 1ucp n GLN 79 N 4.80 2.53 0.11 1.98 -0.00 -1.26 -3.68 117.38 121.86 1ucp n GLN 79 Ca 0.11 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.06 1ucp n GLN 79 Cb 0.45 -1.00 -0.02 0.00 -0.00 0.00 0.00 30.24 29.67 1ucp n GLN 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1ucp h GLU 80 N 0.00 -0.29 -0.83 2.61 9.09 -1.99 -1.47 114.58 121.70 1ucp h GLU 80 Ca -0.00 0.02 0.12 0.00 0.05 0.00 0.00 59.36 59.55 1ucp h GLU 80 Cb 0.63 0.07 -0.08 0.00 -1.65 0.00 0.00 28.75 27.72 1ucp h GLU 80 CO 0.00 -0.19 0.45 1.98 0.05 0.00 0.00 179.01 181.29 1ucp h MET 81 N -0.48 0.67 -0.32 1.06 -1.53 -1.98 0.17 114.93 112.53 1ucp h MET 81 Ca -0.03 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.22 1ucp h MET 81 Cb 0.23 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.10 1ucp h MET 81 CO 0.05 0.45 0.13 0.00 0.14 0.00 0.00 176.91 177.68 1ucp h ALA 82 N 1.51 0.37 -0.36 0.39 0.00 -1.81 0.24 119.26 119.60 1ucp h ALA 82 Ca 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1ucp h ALA 82 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ucp h ALA 82 CO -0.31 -0.25 0.07 0.78 0.00 0.00 0.00 179.25 179.54 1ucp h GLY 83 N 0.29 0.64 1.84 0.00 0.00 -0.01 -1.62 103.07 104.21 1ucp h GLY 83 Ca 0.14 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1ucp h GLY 83 CO -0.12 0.39 -0.57 1.46 0.00 0.00 0.00 176.54 177.70 1ucp h GLN 84 N 0.44 0.16 -0.13 4.80 7.50 -0.51 -1.35 115.11 126.02 1ucp h GLN 84 Ca 0.11 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 59.14 1ucp h GLN 84 Cb 0.34 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.88 1ucp h GLN 84 CO 0.01 0.69 0.02 1.25 -1.50 0.00 0.00 178.83 179.29 1ucp h LEU 85 N 0.12 0.21 -0.02 1.46 5.85 -0.47 0.29 115.31 122.75 1ucp h LEU 85 Ca -0.00 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1ucp h LEU 85 Cb 1.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1ucp h LEU 85 CO 0.08 0.42 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.78 1ucp h GLN 86 N -0.01 -0.32 -0.41 1.25 4.15 -1.22 -1.46 115.11 117.09 1ucp h GLN 86 Ca 0.04 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1ucp h GLN 86 Cb 0.30 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1ucp h GLN 86 CO 0.00 -0.21 0.24 0.00 -1.93 0.00 0.00 178.83 176.93 1ucp h ALA 87 N 0.56 0.52 -0.83 3.38 0.00 -1.12 -2.49 119.26 119.27 1ucp h ALA 87 Ca 0.06 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 87 Cb 0.42 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1ucp h ALA 87 CO -0.21 0.02 0.54 0.00 0.00 0.00 0.00 179.25 179.60 1ucp h ALA 88 N 1.11 1.57 -0.00 0.00 0.00 -0.16 -0.02 119.26 121.76 1ucp h ALA 88 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ucp h ALA 88 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ucp h ALA 88 CO -0.03 0.31 -0.16 2.41 0.00 0.00 0.00 179.25 181.79 1ucp n THR 89 N -4.48 0.00 0.19 0.00 -1.04 -0.57 -4.22 114.28 104.16 1ucp n THR 89 Ca 0.12 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.05 62.10 1ucp n THR 89 Cb 0.19 -0.19 0.01 0.00 -1.82 0.00 0.00 70.33 68.51 1ucp n THR 89 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1ucp n HIS 90 N -1.32 0.13 0.41 -1.42 -0.00 -0.02 -4.82 115.22 108.17 1ucp n HIS 90 Ca 0.09 -0.82 0.03 0.00 -0.00 0.00 0.00 57.72 57.03 1ucp n HIS 90 Cb 0.31 -0.41 0.19 0.00 -0.00 0.00 0.00 29.99 30.09 1ucp n HIS 90 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28