#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 2.29 0.28 3.03 0.00 -1.26 -4.97 105.19 104.55 1ucp n GLY 2 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 0.07 0.02 1.61 3.08 -1.90 0.30 114.38 117.55 1ucp h ARG 3 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ucp h ARG 3 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ucp h ARG 3 CO 0.00 0.04 -0.02 0.00 -1.07 0.00 0.00 179.97 178.93 1ucp h ALA 4 N 1.72 -0.03 -0.36 0.04 0.00 -1.85 0.54 119.26 119.32 1ucp h ALA 4 Ca 0.40 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1ucp h ALA 4 Cb 0.68 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ucp h ALA 4 CO -0.70 -0.52 0.08 0.00 0.00 0.00 0.00 179.25 178.11 1ucp h ARG 5 N -0.04 0.58 -0.08 0.00 3.08 -1.19 -0.32 114.38 116.41 1ucp h ARG 5 Ca 0.00 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1ucp h ARG 5 Cb 0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1ucp h ARG 5 CO -0.00 0.63 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.93 1ucp h ASP 6 N 0.43 -0.48 -0.48 7.04 5.19 -0.43 -0.55 116.42 127.13 1ucp h ASP 6 Ca 0.11 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.54 1ucp h ASP 6 Cb 0.32 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 1ucp h ASP 6 CO 0.00 -0.21 0.04 0.00 -3.12 0.00 0.00 179.24 175.96 1ucp h ALA 7 N 0.79 0.65 0.30 3.45 0.00 -0.62 0.24 119.26 124.06 1ucp h ALA 7 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ucp h ALA 7 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ucp h ALA 7 CO -0.21 0.41 -0.14 0.82 0.00 0.00 0.00 179.25 180.13 1ucp h ILE 8 N 0.69 0.71 -0.28 0.00 2.04 -0.98 -0.77 117.51 118.92 1ucp h ILE 8 Ca 0.14 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1ucp h ILE 8 Cb 0.45 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1ucp h ILE 8 CO 0.02 0.01 -0.02 0.25 0.00 0.00 0.00 178.15 178.41 1ucp h LEU 9 N -0.42 -0.15 -0.83 1.44 7.12 -0.82 0.37 115.31 122.02 1ucp h LEU 9 Ca -0.04 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.10 1ucp h LEU 9 Cb 0.32 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.51 1ucp h LEU 9 CO 0.07 -0.04 0.51 0.44 -0.13 0.00 0.00 178.44 179.29 1ucp h ASP 10 N 0.06 0.78 -0.18 1.25 3.32 -0.43 0.72 116.42 121.95 1ucp h ASP 10 Ca 0.14 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1ucp h ASP 10 Cb 0.19 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1ucp h ASP 10 CO -0.24 0.49 -0.03 0.00 -1.72 0.00 0.00 179.24 177.75 1ucp h ALA 11 N 1.41 0.24 0.00 3.45 0.00 -0.04 -1.45 119.26 122.87 1ucp h ALA 11 Ca 0.37 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 11 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ucp h ALA 11 CO -0.19 -0.01 -0.40 -0.07 0.00 0.00 0.00 179.25 178.59 1ucp h LEU 12 N 0.06 0.00 -0.37 0.00 -0.00 -0.52 -0.85 115.31 113.63 1ucp h LEU 12 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.86 1ucp h LEU 12 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1ucp h LEU 12 CO 0.01 0.40 -0.04 -0.33 -0.00 0.00 0.00 178.44 178.48 1ucp h GLU 13 N 0.00 0.68 0.00 1.13 4.39 -0.82 -2.99 114.58 116.97 1ucp h GLU 13 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ucp h GLU 13 Cb 0.83 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1ucp h GLU 13 CO 0.05 0.81 0.00 0.09 -1.16 0.00 0.00 179.01 178.80 1ucp n ASN 14 N -4.43 0.31 -4.85 1.42 3.02 -0.55 -4.79 115.26 105.39 1ucp n ASN 14 Ca -0.02 0.55 -0.32 0.00 -0.03 0.00 0.00 54.58 54.77 1ucp n ASN 14 Cb 0.31 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 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 -3.63 3.84 0.58 3.41 1.43 -0.38 -5.07 118.68 118.86 1ucp s LEU 15 Ca 0.10 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 1ucp s LEU 15 Cb 0.13 -4.22 0.07 0.00 0.03 0.00 0.00 46.19 42.21 1ucp s LEU 15 CO 0.46 -0.40 0.80 0.42 0.23 0.00 0.00 176.35 177.85 1ucp s THR 16 N -2.33 2.40 0.22 5.49 -4.23 -1.26 -4.84 115.64 111.08 1ucp s THR 16 Ca 0.55 -0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 60.15 1ucp s THR 16 Cb -0.10 -2.56 0.17 0.00 1.34 0.00 0.00 72.50 71.35 1ucp s THR 16 CO 0.26 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.15 1ucp h ALA 17 N 0.06 0.99 -0.15 3.99 0.00 -1.98 0.22 119.26 122.39 1ucp h ALA 17 Ca -0.36 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 1ucp h ALA 17 Cb 1.28 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ucp h ALA 17 CO 0.43 0.05 -0.74 1.49 0.00 0.00 0.00 179.25 180.48 1ucp h GLU 18 N 0.71 0.72 -0.23 0.00 4.81 -1.99 -0.14 114.58 118.47 1ucp h GLU 18 Ca 0.33 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1ucp h GLU 18 Cb 0.26 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1ucp h GLU 18 CO -0.21 1.19 0.05 0.93 -0.73 0.00 0.00 179.01 180.24 1ucp h GLU 19 N 0.50 0.37 -0.35 1.92 4.39 -1.87 -1.75 114.58 117.79 1ucp h GLU 19 Ca -0.04 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1ucp h GLU 19 Cb 1.36 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 1ucp h GLU 19 CO 0.15 0.49 0.23 -0.07 -1.16 0.00 0.00 179.01 178.65 1ucp h LEU 20 N 0.20 0.38 0.25 1.33 3.38 -0.50 0.23 115.31 120.57 1ucp h LEU 20 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ucp h LEU 20 Cb 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ucp h LEU 20 CO 0.00 0.27 -0.12 0.50 0.09 0.00 0.00 178.44 179.18 1ucp h LYS 21 N 0.44 -0.32 -0.57 1.13 1.63 -0.55 0.92 116.57 119.25 1ucp h LYS 21 Ca 0.13 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1ucp h LYS 21 Cb -0.01 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1ucp h LYS 21 CO -0.03 -0.17 0.26 0.87 -3.45 0.00 0.00 179.45 176.93 1ucp h LYS 22 N -0.39 0.80 0.36 1.90 1.79 -0.47 -1.63 116.57 118.92 1ucp h LYS 22 Ca -0.03 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1ucp h LYS 22 Cb 0.30 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1ucp h LYS 22 CO 0.06 0.63 -0.17 0.35 -1.08 0.00 0.00 179.45 179.24 1ucp h PHE 23 N 0.80 -0.44 -0.91 -1.35 3.57 -0.29 0.17 116.94 118.49 1ucp h PHE 23 Ca 0.20 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.82 1ucp h PHE 23 Cb 0.10 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 1ucp h PHE 23 CO 0.01 -0.23 0.58 0.87 -2.23 0.00 0.00 178.31 177.31 1ucp h LYS 24 N -0.55 0.74 0.09 1.11 1.57 -0.54 0.15 116.57 119.13 1ucp h LYS 24 Ca -0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1ucp h LYS 24 Cb 0.41 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ucp h LYS 24 CO 0.08 0.49 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.34 1ucp h LEU 25 N 0.76 -0.10 -1.48 2.94 3.38 -1.12 -3.35 115.31 116.35 1ucp h LEU 25 Ca 0.45 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1ucp h LEU 25 Cb 0.64 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1ucp h LEU 25 CO -0.21 0.48 0.43 0.11 0.09 0.00 0.00 178.44 179.34 1ucp h LYS 26 N -0.74 0.62 -0.19 1.13 1.79 0.47 0.37 116.57 120.01 1ucp h LYS 26 Ca -0.01 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1ucp h LYS 26 Cb 0.57 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1ucp h LYS 26 CO 0.02 0.41 0.29 -0.07 -1.08 0.00 0.00 179.45 179.02 1ucp h LEU 27 N 0.63 0.00 -2.63 2.94 3.38 -0.89 -1.29 115.31 117.45 1ucp h LEU 27 Ca 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1ucp h LEU 27 Cb 0.30 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1ucp h LEU 27 CO -0.09 0.00 -0.50 -0.11 0.09 0.00 0.00 178.44 177.83 1ucp n LEU 28 N -3.49 1.24 -0.12 1.67 0.00 -0.02 -4.65 117.00 111.63 1ucp n LEU 28 Ca 0.02 -2.21 -0.19 0.00 0.00 0.00 0.00 56.01 53.63 1ucp n LEU 28 Cb 0.41 -0.19 -0.12 0.00 0.00 0.00 0.00 43.42 43.52 1ucp n LEU 28 CO 0.23 0.60 -1.33 -0.24 0.00 0.00 0.00 177.39 176.66 1ucp n SER 29 N -0.42 1.99 -4.66 1.96 2.88 -0.37 -4.84 113.62 110.14 1ucp n SER 29 Ca 0.08 -0.07 -0.41 0.00 -1.33 0.00 0.00 58.87 57.14 1ucp n SER 29 Cb 0.79 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 63.72 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 -2.52 4.93 -0.08 2.46 0.11 -1.15 -5.01 120.40 119.14 1ucp s VAL 30 Ca -0.35 1.45 -0.30 0.00 -2.93 0.00 0.00 61.98 59.86 1ucp s VAL 30 Cb 0.09 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 1ucp s VAL 30 CO 0.60 0.05 1.62 -2.16 -3.33 0.00 0.00 175.10 171.89 1ucp s PRO 31 N 2.09 4.13 0.68 1.54 0.04 -1.26 -4.95 135.00 137.27 1ucp s PRO 31 Ca 0.34 2.09 -0.09 0.00 0.04 0.00 0.00 61.00 63.38 1ucp s PRO 31 Cb -0.16 -3.98 0.03 0.00 0.04 0.00 0.00 34.50 30.43 1ucp s PRO 31 CO 0.11 -0.90 1.03 -1.17 0.04 0.00 0.00 177.00 176.11 1ucp s LEU 32 N 4.17 2.96 0.78 -3.56 0.20 -1.26 -5.03 118.68 116.93 1ucp s LEU 32 Ca 0.72 0.86 -0.11 0.00 0.69 0.00 0.00 54.13 56.29 1ucp s LEU 32 Cb -0.31 -3.62 0.06 0.00 -0.43 0.00 0.00 46.19 41.89 1ucp s LEU 32 CO 0.28 -1.34 1.08 -0.13 -0.29 0.00 0.00 176.35 175.96 1ucp s ARG 33 N -5.24 2.23 0.36 1.98 0.52 -1.26 -5.03 118.95 112.51 1ucp s ARG 33 Ca 0.57 0.87 -0.18 0.00 -0.52 0.00 0.00 55.73 56.48 1ucp s ARG 33 Cb -0.11 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.35 1ucp s ARG 33 CO 0.48 -1.58 0.82 -2.00 0.02 0.00 0.00 175.30 173.04 1ucp s GLU 34 N -5.03 4.11 0.00 3.54 2.12 -1.26 -3.62 118.70 118.56 1ucp s GLU 34 Ca 0.60 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.79 1ucp s GLU 34 Cb -0.15 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1ucp s GLU 34 CO 0.55 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.78 1ucp n GLY 35 N -0.42 0.78 3.31 -1.50 0.00 -1.26 -5.04 105.19 101.06 1ucp n GLY 35 Ca 0.05 0.00 -0.16 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 -2.91 1.48 0.98 1.61 2.02 -1.24 -5.05 117.35 114.24 1ucp s TYR 36 Ca 0.00 -0.94 -0.13 0.00 -0.37 0.00 0.00 57.07 55.63 1ucp s TYR 36 Cb 0.00 -0.85 0.17 0.00 -0.40 0.00 0.00 41.96 40.88 1ucp s TYR 36 CO 0.00 -0.07 1.12 0.20 -1.57 0.00 0.00 175.55 175.23 1ucp s GLY 37 N -3.28 1.58 -0.21 0.71 0.00 -1.03 -4.91 107.32 100.19 1ucp s GLY 37 Ca 0.27 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.43 1ucp s GLY 37 CO 0.08 0.09 0.06 0.50 0.00 0.00 0.00 173.10 173.82 1ucp s ARG 38 N -5.19 0.46 -0.28 2.90 1.81 -1.26 -4.86 118.95 112.53 1ucp s ARG 38 Ca 0.65 -0.39 -0.26 0.00 -1.72 0.00 0.00 55.73 54.01 1ucp s ARG 38 Cb -0.15 -1.95 0.00 0.00 -0.45 0.00 0.00 34.95 32.40 1ucp s ARG 38 CO 0.55 -0.71 0.90 0.42 -0.68 0.00 0.00 175.30 175.78 1ucp s ILE 39 N 1.93 4.72 0.70 1.52 1.01 -1.26 -5.03 121.20 124.79 1ucp s ILE 39 Ca 0.01 1.53 -0.13 0.00 0.00 0.00 0.00 60.65 62.06 1ucp s ILE 39 Cb -0.17 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.09 1ucp s ILE 39 CO -0.12 -0.25 1.09 -2.16 0.00 0.00 0.00 174.94 173.50 1ucp s PRO 40 N 3.12 2.68 0.13 2.79 0.04 -1.26 -4.66 135.00 137.85 1ucp s PRO 40 Ca 0.38 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1ucp s PRO 40 Cb -0.14 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1ucp s PRO 40 CO 0.11 -1.32 1.46 -0.09 0.04 0.00 0.00 177.00 177.19 1ucp h ARG 41 N -0.41 0.87 -0.65 4.56 2.43 -1.96 -1.83 114.38 117.40 1ucp h ARG 41 Ca -0.45 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 58.25 1ucp h ARG 41 Cb 1.23 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1ucp h ARG 41 CO 0.54 1.11 0.38 0.78 -1.51 0.00 0.00 179.97 181.26 1ucp h GLY 42 N 0.68 0.95 0.76 2.80 0.00 -1.97 0.29 103.07 106.58 1ucp h GLY 42 Ca 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1ucp h GLY 42 CO 0.09 0.39 -0.07 0.00 0.00 0.00 0.00 176.54 176.95 1ucp h ALA 43 N 1.19 -0.05 -0.27 3.60 0.00 -1.94 -1.75 119.26 120.04 1ucp h ALA 43 Ca 0.23 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ucp h ALA 43 Cb 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1ucp h ALA 43 CO -0.04 -0.55 -0.29 -0.07 0.00 0.00 0.00 179.25 178.30 1ucp h LEU 44 N -0.11 -0.93 -0.80 0.00 3.38 -0.68 -0.37 115.31 115.80 1ucp h LEU 44 Ca 0.04 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1ucp h LEU 44 Cb 0.17 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1ucp h LEU 44 CO -0.10 -0.31 0.43 -0.07 0.09 0.00 0.00 178.44 178.47 1ucp h LEU 45 N -0.28 0.56 -1.33 1.67 -0.00 -0.69 -1.26 115.31 113.98 1ucp h LEU 45 Ca 0.14 0.07 -0.06 0.00 -0.00 0.00 0.00 57.88 58.03 1ucp h LEU 45 Cb 0.51 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 1ucp h LEU 45 CO -0.43 0.29 -0.29 0.77 -0.00 0.00 0.00 178.44 178.79 1ucp h SER 46 N 0.68 0.00 -4.12 -0.43 4.64 -0.34 -3.45 113.55 110.53 1ucp h SER 46 Ca 0.41 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.23 1ucp h SER 46 Cb 0.46 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.61 1ucp h SER 46 CO -0.29 0.29 0.32 -0.04 -0.87 0.00 0.00 176.83 176.23 1ucp s MET 47 N -3.95 3.45 0.00 4.77 -1.94 -0.26 -5.10 119.30 116.26 1ucp s MET 47 Ca -0.02 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.48 1ucp s MET 47 Cb 0.13 -2.16 0.00 0.00 2.01 0.00 0.00 34.83 34.80 1ucp s MET 47 CO 0.66 -0.54 0.00 -0.40 -0.01 0.00 0.00 175.02 174.73 1ucp n ASP 48 N -2.64 1.23 -0.14 3.03 5.75 -1.26 -4.92 116.55 117.59 1ucp n ASP 48 Ca 0.05 -0.46 -0.10 0.00 -0.01 0.00 0.00 54.79 54.27 1ucp n ASP 48 Cb 0.55 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.49 0.56 0.11 2.12 0.00 -1.95 -1.15 119.26 119.44 1ucp h ALA 49 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ucp h ALA 49 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ucp h ALA 49 CO 0.00 0.32 -0.05 1.25 0.00 0.00 0.00 179.25 180.76 1ucp h LEU 50 N 0.56 -0.13 -0.79 0.00 5.85 -1.97 -0.45 115.31 118.38 1ucp h LEU 50 Ca 0.12 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.52 1ucp h LEU 50 Cb 0.44 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1ucp h LEU 50 CO 0.02 0.37 0.45 0.44 -0.34 0.00 0.00 178.44 179.38 1ucp h ASP 51 N -0.68 0.67 0.55 1.25 5.19 -1.96 -1.72 116.42 119.72 1ucp h ASP 51 Ca -0.02 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1ucp h ASP 51 Cb 0.52 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1ucp h ASP 51 CO 0.03 0.40 -0.40 0.25 -3.12 0.00 0.00 179.24 176.40 1ucp h LEU 52 N 0.79 -1.03 -0.57 1.55 5.85 -1.15 -0.84 115.31 119.92 1ucp h LEU 52 Ca 0.37 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.25 1ucp h LEU 52 Cb 0.28 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 1ucp h LEU 52 CO -0.22 -0.59 -0.39 0.74 -0.34 0.00 0.00 178.44 177.65 1ucp h THR 53 N -0.92 0.13 -0.45 1.05 2.02 -0.23 0.44 112.91 114.94 1ucp h THR 53 Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1ucp h THR 53 Cb 0.77 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1ucp h THR 53 CO 0.02 0.00 0.12 0.44 0.37 0.00 0.00 175.52 176.48 1ucp h ASP 54 N -0.20 0.67 0.21 4.18 3.32 -1.34 -1.10 116.42 122.16 1ucp h ASP 54 Ca 0.20 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1ucp h ASP 54 Cb 0.56 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1ucp h ASP 54 CO -0.68 0.72 -0.10 0.50 -1.72 0.00 0.00 179.24 177.96 1ucp h LYS 55 N 0.60 -0.27 0.00 3.56 3.11 0.21 0.83 116.57 124.61 1ucp h LYS 55 Ca 0.14 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 1ucp h LYS 55 Cb 0.30 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1ucp h LYS 55 CO -0.00 -0.11 -0.14 1.25 -2.81 0.00 0.00 179.45 177.64 1ucp h LEU 56 N -0.38 0.00 0.00 5.20 7.12 -0.19 -0.92 115.31 126.15 1ucp h LEU 56 Ca -0.03 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.86 1ucp h LEU 56 Cb 0.29 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.40 1ucp h LEU 56 CO 0.05 0.14 -0.85 0.58 -0.13 0.00 0.00 178.44 178.22 1ucp h VAL 57 N 0.00 0.57 -0.76 1.05 2.07 -1.08 -3.36 116.25 114.75 1ucp h VAL 57 Ca -0.00 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.87 1ucp h VAL 57 Cb 0.27 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ucp h VAL 57 CO 0.02 0.19 0.50 -1.28 0.02 0.00 0.00 177.57 177.02 1ucp h SER 58 N -1.00 0.77 0.54 0.57 0.87 -0.76 0.61 113.55 115.15 1ucp h SER 58 Ca -0.18 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1ucp h SER 58 Cb 0.93 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1ucp h SER 58 CO -0.11 0.52 0.00 0.33 -0.53 0.00 0.00 176.83 177.04 1ucp n PHE 59 N -4.46 0.00 0.00 2.24 7.35 -0.36 -4.70 117.46 117.53 1ucp n PHE 59 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1ucp n PHE 59 Cb 0.15 -0.33 0.00 0.00 0.35 0.00 0.00 39.48 39.65 1ucp n PHE 59 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1ucp n TYR 60 N -1.33 0.00 -3.72 -5.13 4.02 0.04 -2.46 117.16 108.57 1ucp n TYR 60 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.96 1ucp n TYR 60 Cb 0.22 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.52 1ucp n TYR 60 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ucp s LEU 61 N 0.00 -0.18 0.01 7.72 2.01 -0.24 -4.97 118.68 123.03 1ucp s LEU 61 Ca 0.00 -0.34 -0.10 0.00 0.01 0.00 0.00 54.13 53.70 1ucp s LEU 61 Cb 0.00 2.07 -0.05 0.00 0.01 0.00 0.00 46.19 48.21 1ucp s LEU 61 CO 0.00 -0.82 0.89 -0.33 1.01 0.00 0.00 176.35 177.11 1ucp h GLU 62 N 2.00 -0.34 -0.64 1.70 3.07 -1.94 -0.72 114.58 117.71 1ucp h GLU 62 Ca -0.24 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.59 1ucp h GLU 62 Cb 1.23 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 1ucp h GLU 62 CO 0.26 -0.23 0.21 1.15 -1.40 0.00 0.00 179.01 179.00 1ucp h THR 63 N -0.44 1.24 -0.61 1.13 2.02 -1.97 -0.92 112.91 113.36 1ucp h THR 63 Ca -0.04 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.39 1ucp h THR 63 Cb 0.27 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1ucp h THR 63 CO 0.06 0.31 0.40 0.22 0.37 0.00 0.00 175.52 176.88 1ucp h TYR 64 N 0.93 0.64 -0.33 3.16 5.03 -1.97 0.33 116.97 124.76 1ucp h TYR 64 Ca 0.21 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.54 1ucp h TYR 64 Cb 0.25 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1ucp h TYR 64 CO 0.02 0.36 0.22 0.78 -1.32 0.00 0.00 178.16 178.21 1ucp h GLY 65 N 0.65 0.47 1.14 1.82 0.00 0.31 0.17 103.07 107.63 1ucp h GLY 65 Ca 0.25 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1ucp h GLY 65 CO -0.07 0.16 -0.14 0.00 0.00 0.00 0.00 176.54 176.50 1ucp h ALA 66 N 1.13 0.77 0.50 3.60 0.00 -1.11 -0.91 119.26 123.24 1ucp h ALA 66 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ucp h ALA 66 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ucp h ALA 66 CO -0.03 0.67 -0.43 1.49 0.00 0.00 0.00 179.25 180.94 1ucp h GLU 67 N 0.88 -0.88 -0.49 0.00 4.57 -0.66 -1.37 114.58 116.63 1ucp h GLU 67 Ca 0.13 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.47 1ucp h GLU 67 Cb 0.70 0.20 -0.10 0.00 -0.16 0.00 0.00 28.75 29.39 1ucp h GLU 67 CO 0.05 -0.59 -0.25 1.25 -1.18 0.00 0.00 179.01 178.29 1ucp h LEU 68 N -0.91 -0.87 0.46 1.64 6.46 -0.62 0.53 115.31 122.01 1ucp h LEU 68 Ca -0.07 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1ucp h LEU 68 Cb 0.77 0.45 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1ucp h LEU 68 CO -0.01 -0.27 -0.37 0.74 -0.62 0.00 0.00 178.44 177.91 1ucp h THR 69 N -0.14 0.24 -0.55 1.05 2.02 -1.00 0.15 112.91 114.67 1ucp h THR 69 Ca 0.22 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1ucp h THR 69 Cb 0.49 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1ucp h THR 69 CO -0.57 0.00 0.37 0.00 0.37 0.00 0.00 175.52 175.68 1ucp h ALA 70 N -0.44 1.82 -0.05 6.16 0.00 -0.69 0.15 119.26 126.20 1ucp h ALA 70 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ucp h ALA 70 Cb 0.71 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ucp h ALA 70 CO -0.01 0.10 -0.08 -0.97 0.00 0.00 0.00 179.25 178.29 1ucp h ASN 71 N 0.55 0.16 -0.24 0.00 -0.73 -0.13 0.47 115.58 115.67 1ucp h ASN 71 Ca 0.23 -0.55 -0.15 0.00 1.87 0.00 0.00 56.30 57.71 1ucp h ASN 71 Cb 0.23 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1ucp h ASN 71 CO -0.07 0.68 -0.38 0.58 -0.37 0.00 0.00 177.43 177.87 1ucp h VAL 72 N -0.35 1.28 -0.42 2.57 2.07 -0.54 -1.11 116.25 119.76 1ucp h VAL 72 Ca 0.00 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 65.98 1ucp h VAL 72 Cb 0.64 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1ucp h VAL 72 CO 0.02 0.51 0.27 -0.07 0.02 0.00 0.00 177.57 178.31 1ucp h LEU 73 N 0.64 0.46 -1.02 2.57 3.38 -0.65 -0.49 115.31 120.19 1ucp h LEU 73 Ca 0.06 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ucp h LEU 73 Cb 0.93 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1ucp h LEU 73 CO 0.09 0.33 0.66 -0.09 0.09 0.00 0.00 178.44 179.51 1ucp h ARG 74 N 0.55 1.24 -0.21 1.13 2.43 -0.68 -0.33 114.38 118.51 1ucp h ARG 74 Ca 0.16 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1ucp h ARG 74 Cb -0.04 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.21 1ucp h ARG 74 CO -0.05 0.82 0.00 0.22 -1.51 0.00 0.00 179.97 179.46 1ucp h ASP 75 N 1.28 0.28 0.42 -3.80 3.58 -0.28 -0.94 116.42 116.97 1ucp h ASP 75 Ca 0.39 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.73 1ucp h ASP 75 Cb -0.03 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1ucp h ASP 75 CO -0.12 0.34 -0.36 0.24 -2.88 0.00 0.00 179.24 176.46 1ucp h MET 76 N 0.31 0.00 0.00 0.28 2.86 0.33 -3.47 114.93 115.25 1ucp h MET 76 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1ucp h MET 76 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1ucp h MET 76 CO 0.00 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.74 1ucp n GLY 77 N -0.40 0.98 3.65 8.32 0.00 -0.36 -5.11 105.19 112.28 1ucp n GLY 77 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 4.09 -0.06 0.99 0.20 -0.28 -4.90 118.68 118.72 1ucp s LEU 78 Ca 0.00 1.17 0.03 0.00 0.69 0.00 0.00 54.13 56.02 1ucp s LEU 78 Cb 0.00 -3.32 -0.06 0.00 -0.43 0.00 0.00 46.19 42.38 1ucp s LEU 78 CO 0.00 -0.57 -0.01 0.00 -0.29 0.00 0.00 176.35 175.48 1ucp n GLN 79 N 6.11 2.17 0.17 1.98 10.64 -1.26 -2.70 117.38 134.48 1ucp n GLN 79 Ca 0.08 0.01 -0.07 0.00 -1.83 0.00 0.00 57.00 55.19 1ucp n GLN 79 Cb 0.47 -1.14 -0.03 0.00 -0.86 0.00 0.00 30.24 28.68 1ucp n GLN 79 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1ucp h GLU 80 N 0.00 -0.41 0.00 2.61 4.11 -2.00 -1.64 114.58 117.25 1ucp h GLU 80 Ca -0.15 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 1ucp h GLU 80 Cb 1.31 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ucp h GLU 80 CO -0.00 -0.28 -0.09 1.98 0.07 0.00 0.00 179.01 180.69 1ucp h MET 81 N -0.50 0.00 -0.54 1.06 -1.53 -1.98 -1.67 114.93 109.76 1ucp h MET 81 Ca -0.04 0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1ucp h MET 81 Cb 0.33 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.35 1ucp h MET 81 CO 0.07 0.09 0.36 0.00 0.14 0.00 0.00 176.91 177.58 1ucp h ALA 82 N 1.91 0.69 -0.60 0.39 0.00 -1.75 0.31 119.26 120.20 1ucp h ALA 82 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ucp h ALA 82 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ucp h ALA 82 CO 0.01 0.13 0.07 0.78 0.00 0.00 0.00 179.25 180.24 1ucp h GLY 83 N 0.74 1.09 1.04 0.00 0.00 -0.53 -1.82 103.07 103.58 1ucp h GLY 83 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1ucp h GLY 83 CO -0.04 0.69 0.60 1.46 0.00 0.00 0.00 176.54 179.24 1ucp h GLN 84 N 0.91 1.28 -0.23 4.80 4.20 -0.71 -2.05 115.11 123.30 1ucp h GLN 84 Ca 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1ucp h GLN 84 Cb 0.46 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1ucp h GLN 84 CO 0.02 0.87 0.09 1.25 -0.67 0.00 0.00 178.83 180.39 1ucp h LEU 85 N 1.31 0.32 0.42 1.46 5.85 -0.06 0.36 115.31 124.96 1ucp h LEU 85 Ca 0.35 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1ucp h LEU 85 Cb -0.09 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1ucp h LEU 85 CO -0.07 0.40 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.47 1ucp h GLN 86 N 0.22 -0.75 -0.85 1.25 -0.00 -1.25 -1.17 115.11 112.56 1ucp h GLN 86 Ca 0.08 0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.82 1ucp h GLN 86 Cb 0.18 0.17 -0.05 0.00 0.00 0.00 0.00 27.48 27.78 1ucp h GLN 86 CO -0.01 -0.50 0.54 0.00 0.00 0.00 0.00 178.83 178.86 1ucp h ALA 87 N -0.36 1.13 -0.24 3.38 0.00 -0.99 -0.15 119.26 122.03 1ucp h ALA 87 Ca -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ucp h ALA 87 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ucp h ALA 87 CO -0.03 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.52 1ucp h ALA 88 N 1.37 1.47 0.05 0.00 0.00 -0.17 -2.46 119.26 119.51 1ucp h ALA 88 Ca 0.35 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 1ucp h ALA 88 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ucp h ALA 88 CO -0.13 0.38 -1.07 1.15 0.00 0.00 0.00 179.25 179.57 1ucp h THR 89 N 0.36 1.62 -0.86 0.00 2.02 -0.18 -3.44 112.91 112.43 1ucp h THR 89 Ca 0.08 -3.23 0.15 0.00 0.77 0.00 0.00 66.41 64.18 1ucp h THR 89 Cb 0.33 2.85 -0.21 0.00 -1.74 0.00 0.00 68.15 69.37 1ucp h THR 89 CO 0.01 0.93 -0.04 -2.28 0.37 0.00 0.00 175.52 174.52 1ucp s HIS 90 N -2.74 -1.05 0.00 3.16 5.65 -0.17 -4.66 115.29 115.48 1ucp s HIS 90 Ca -0.01 1.29 0.00 0.00 0.25 0.00 0.00 55.06 56.58 1ucp s HIS 90 Cb 0.09 0.43 0.00 0.00 -1.18 0.00 0.00 32.58 31.92 1ucp s HIS 90 CO 0.84 -0.56 0.08 0.94 -0.65 0.00 0.00 174.74 175.39