#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 1.01 0.35 -5.12 0.00 -1.26 -5.00 105.19 95.17 1ucp n GLY 2 Ca 0.00 -0.96 0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 0.64 -0.18 1.61 3.08 -1.91 0.25 114.38 117.88 1ucp h ARG 3 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ucp h ARG 3 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1ucp h ARG 3 CO 0.00 0.42 0.04 0.00 -1.07 0.00 0.00 179.97 179.37 1ucp h ALA 4 N 1.69 0.18 -0.01 0.04 0.00 -1.86 -1.09 119.26 118.21 1ucp h ALA 4 Ca 0.61 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.38 1ucp h ALA 4 Cb 1.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ucp h ALA 4 CO -0.43 -0.39 -0.74 0.00 0.00 0.00 0.00 179.25 177.68 1ucp h ARG 5 N 0.12 0.06 0.26 0.00 3.08 -1.10 0.51 114.38 117.31 1ucp h ARG 5 Ca 0.08 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ucp h ARG 5 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ucp h ARG 5 CO -0.10 0.77 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.01 1ucp h ASP 6 N 0.04 -0.30 -0.18 7.04 5.19 -0.48 -1.50 116.42 126.24 1ucp h ASP 6 Ca -0.01 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.32 1ucp h ASP 6 Cb 1.30 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.89 1ucp h ASP 6 CO 0.10 -0.18 -0.12 0.00 -3.12 0.00 0.00 179.24 175.92 1ucp h ALA 7 N 0.36 0.26 -0.35 3.45 0.00 -1.11 -0.47 119.26 121.39 1ucp h ALA 7 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ucp h ALA 7 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ucp h ALA 7 CO 0.06 0.11 0.18 0.82 0.00 0.00 0.00 179.25 180.43 1ucp h ILE 8 N 0.07 1.15 -0.04 0.00 2.04 -0.96 -0.03 117.51 119.74 1ucp h ILE 8 Ca 0.04 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1ucp h ILE 8 Cb 0.63 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1ucp h ILE 8 CO 0.03 0.15 -0.10 0.25 0.00 0.00 0.00 178.15 178.49 1ucp h LEU 9 N 0.44 -0.28 -1.25 1.44 7.12 -1.17 0.71 115.31 122.32 1ucp h LEU 9 Ca 0.12 0.05 0.06 0.00 0.13 0.00 0.00 57.88 58.24 1ucp h LEU 9 Cb 0.08 0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.29 1ucp h LEU 9 CO -0.02 -0.13 0.54 0.44 -0.13 0.00 0.00 178.44 179.13 1ucp h ASP 10 N -0.14 0.81 -0.02 1.25 3.32 -0.85 -0.57 116.42 120.22 1ucp h ASP 10 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1ucp h ASP 10 Cb 0.21 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ucp h ASP 10 CO -0.13 0.53 -0.04 0.00 -1.72 0.00 0.00 179.24 177.87 1ucp h ALA 11 N 1.55 0.04 -0.57 3.45 0.00 -0.24 0.19 119.26 123.67 1ucp h ALA 11 Ca 0.35 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 11 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ucp h ALA 11 CO -0.12 -0.14 0.38 -0.07 0.00 0.00 0.00 179.25 179.30 1ucp h LEU 12 N -0.48 0.63 -0.22 0.00 -0.00 -0.52 -0.96 115.31 113.77 1ucp h LEU 12 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 1ucp h LEU 12 Cb 0.62 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1ucp h LEU 12 CO 0.01 0.45 -0.31 -0.33 -0.00 0.00 0.00 178.44 178.26 1ucp h GLU 13 N 0.74 0.60 0.00 1.13 5.08 -1.12 -2.99 114.58 118.02 1ucp h GLU 13 Ca 0.22 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1ucp h GLU 13 Cb -0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ucp h GLU 13 CO -0.05 0.96 0.00 0.09 -1.00 0.00 0.00 179.01 179.00 1ucp n ASN 14 N -4.31 0.30 -4.92 1.42 3.02 0.05 -4.70 115.26 106.12 1ucp n ASN 14 Ca -0.05 0.62 -0.27 0.00 -0.03 0.00 0.00 54.58 54.85 1ucp n ASN 14 Cb 0.48 -0.66 0.08 0.00 -0.61 0.00 0.00 39.78 39.06 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 -3.75 2.71 0.42 3.41 1.43 -0.45 -5.05 118.68 117.40 1ucp s LEU 15 Ca 0.01 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 1ucp s LEU 15 Cb 0.05 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 1ucp s LEU 15 CO 0.16 -1.70 0.48 0.42 0.23 0.00 0.00 176.35 175.95 1ucp s THR 16 N -3.37 2.84 0.35 5.49 -4.23 -1.26 -4.92 115.64 110.53 1ucp s THR 16 Ca 0.61 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.01 1ucp s THR 16 Cb -0.11 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.03 1ucp s THR 16 CO 0.46 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.48 1ucp h ALA 17 N 0.82 1.69 -0.04 3.99 0.00 -1.97 0.23 119.26 123.97 1ucp h ALA 17 Ca -0.41 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1ucp h ALA 17 Cb 1.27 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ucp h ALA 17 CO 0.51 0.17 -0.77 1.49 0.00 0.00 0.00 179.25 180.65 1ucp h GLU 18 N 0.80 0.59 -0.30 0.00 4.22 -1.99 -0.71 114.58 117.19 1ucp h GLU 18 Ca 0.35 -0.58 -0.03 0.00 0.08 0.00 0.00 59.36 59.18 1ucp h GLU 18 Cb 0.33 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ucp h GLU 18 CO -0.13 1.20 0.06 0.93 -2.18 0.00 0.00 179.01 178.89 1ucp h GLU 19 N 0.20 0.49 -1.01 1.92 4.39 -1.86 -1.99 114.58 116.72 1ucp h GLU 19 Ca -0.09 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 59.54 1ucp h GLU 19 Cb 1.44 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.96 1ucp h GLU 19 CO 0.15 0.58 0.66 -0.07 -1.16 0.00 0.00 179.01 179.17 1ucp h LEU 20 N 0.32 1.08 0.34 1.33 3.38 -0.51 0.25 115.31 121.51 1ucp h LEU 20 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ucp h LEU 20 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ucp h LEU 20 CO 0.00 0.73 -0.34 0.50 0.09 0.00 0.00 178.44 179.42 1ucp h LYS 21 N 1.25 -0.68 -0.26 1.13 3.11 -0.96 -1.18 116.57 118.98 1ucp h LYS 21 Ca 0.41 0.05 0.02 0.00 -2.81 0.00 0.00 60.65 58.31 1ucp h LYS 21 Cb 0.05 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 1ucp h LYS 21 CO -0.14 -0.46 0.13 0.87 -2.81 0.00 0.00 179.45 177.04 1ucp h LYS 22 N -0.71 0.26 -0.15 1.90 1.57 -0.52 -1.59 116.57 117.33 1ucp h LYS 22 Ca -0.02 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1ucp h LYS 22 Cb 0.64 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1ucp h LYS 22 CO -0.06 0.17 -0.21 0.35 -0.57 0.00 0.00 179.45 179.13 1ucp h PHE 23 N 0.27 -0.55 -0.29 -1.35 3.04 -0.35 0.24 116.94 117.94 1ucp h PHE 23 Ca 0.11 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.00 1ucp h PHE 23 Cb 0.03 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1ucp h PHE 23 CO -0.10 -0.29 -0.16 0.87 -2.02 0.00 0.00 178.31 176.61 1ucp h LYS 24 N -0.26 0.51 -0.13 1.11 1.57 -1.08 -1.55 116.57 116.74 1ucp h LYS 24 Ca 0.11 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1ucp h LYS 24 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ucp h LYS 24 CO -0.30 0.66 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.77 1ucp h LEU 25 N 0.47 0.58 -0.77 2.94 3.38 -0.51 -3.30 115.31 118.10 1ucp h LEU 25 Ca 0.08 -0.60 0.08 0.00 0.09 0.00 0.00 57.88 57.54 1ucp h LEU 25 Cb 0.55 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1ucp h LEU 25 CO 0.04 1.08 0.43 0.11 0.09 0.00 0.00 178.44 180.19 1ucp h LYS 26 N 0.11 0.73 -0.25 1.13 1.79 -0.14 0.06 116.57 120.00 1ucp h LYS 26 Ca -0.01 -0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.49 1ucp h LYS 26 Cb 1.02 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1ucp h LYS 26 CO 0.09 0.48 0.47 -0.07 -1.08 0.00 0.00 179.45 179.33 1ucp h LEU 27 N 0.75 0.00 -2.58 2.94 3.38 -1.37 -2.11 115.31 116.32 1ucp h LEU 27 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1ucp h LEU 27 Cb 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.92 1ucp h LEU 27 CO -0.23 0.00 -0.61 -0.11 0.09 0.00 0.00 178.44 177.59 1ucp n LEU 28 N -3.29 0.96 0.00 1.67 0.00 -0.16 -4.73 117.00 111.45 1ucp n LEU 28 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 56.01 54.10 1ucp n LEU 28 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 43.42 43.89 1ucp n LEU 28 CO 0.20 0.53 0.00 -0.24 0.00 0.00 0.00 177.39 177.88 1ucp n SER 29 N -0.17 0.00 -4.73 1.96 2.88 -0.23 -4.95 113.62 108.38 1ucp n SER 29 Ca 0.06 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.19 1ucp n SER 29 Cb 0.84 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 64.14 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 -0.40 3.44 1.08 2.46 0.11 -1.15 -4.99 120.40 120.96 1ucp s VAL 30 Ca 0.00 1.14 -0.13 0.00 -2.93 0.00 0.00 61.98 60.06 1ucp s VAL 30 Cb 0.00 -3.73 0.23 0.00 -1.53 0.00 0.00 36.38 31.35 1ucp s VAL 30 CO 0.00 0.15 1.07 -2.16 -3.33 0.00 0.00 175.10 170.83 1ucp s PRO 31 N 0.22 -0.26 0.34 1.54 0.04 -1.26 -4.78 135.00 130.83 1ucp s PRO 31 Ca 0.57 0.51 0.06 0.00 0.04 0.00 0.00 61.00 62.18 1ucp s PRO 31 Cb -0.34 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1ucp s PRO 31 CO 0.35 -3.20 -0.01 -1.17 0.04 0.00 0.00 177.00 173.02 1ucp s LEU 32 N -6.77 2.54 0.71 -3.56 0.20 -1.26 -5.07 118.68 105.47 1ucp s LEU 32 Ca 0.67 -1.30 -0.11 0.00 0.69 0.00 0.00 54.13 54.08 1ucp s LEU 32 Cb -0.20 -0.69 0.02 0.00 -0.43 0.00 0.00 46.19 44.90 1ucp s LEU 32 CO 0.59 -0.44 1.07 -0.13 -0.29 0.00 0.00 176.35 177.16 1ucp s ARG 33 N -3.76 2.76 -0.30 1.98 0.52 -1.26 -5.00 118.95 113.89 1ucp s ARG 33 Ca 0.34 1.04 -0.25 0.00 -0.52 0.00 0.00 55.73 56.33 1ucp s ARG 33 Cb 0.07 -1.96 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1ucp s ARG 33 CO 0.15 -1.25 0.89 -2.00 0.02 0.00 0.00 175.30 173.12 1ucp s GLU 34 N -4.94 4.03 0.00 3.54 2.12 -1.26 -3.82 118.70 118.37 1ucp s GLU 34 Ca 0.59 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.73 1ucp s GLU 34 Cb -0.15 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.52 1ucp s GLU 34 CO 0.54 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1ucp n GLY 35 N 4.01 0.92 3.18 -1.50 0.00 -1.26 -5.12 105.19 105.41 1ucp n GLY 35 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.95 0.43 1.61 2.02 -1.25 -5.17 117.35 115.94 1ucp s TYR 36 Ca 0.00 -0.94 -0.05 0.00 -0.37 0.00 0.00 57.07 55.70 1ucp s TYR 36 Cb 0.00 -0.54 0.10 0.00 -0.40 0.00 0.00 41.96 41.11 1ucp s TYR 36 CO 0.00 -0.17 0.59 0.41 -1.57 0.00 0.00 175.55 174.80 1ucp n GLY 37 N -0.08 -0.65 3.00 0.71 0.00 -1.26 -4.78 105.19 102.14 1ucp n GLY 37 Ca -0.11 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 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 -4.16 1.84 -0.24 1.61 0.52 -1.26 -4.97 118.95 112.30 1ucp s ARG 38 Ca 0.35 -0.42 -0.26 0.00 -0.52 0.00 0.00 55.73 54.88 1ucp s ARG 38 Cb -0.01 -1.64 -0.00 0.00 0.52 0.00 0.00 34.95 33.82 1ucp s ARG 38 CO 0.24 -0.10 0.89 0.42 0.02 0.00 0.00 175.30 176.78 1ucp s ILE 39 N 1.10 4.79 0.74 1.52 1.01 -1.26 -5.01 121.20 124.08 1ucp s ILE 39 Ca -0.06 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.18 1ucp s ILE 39 Cb -0.14 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.19 1ucp s ILE 39 CO -0.02 -0.11 1.10 -2.16 0.00 0.00 0.00 174.94 173.75 1ucp s PRO 40 N 2.96 2.42 0.19 2.79 0.04 -1.26 -4.67 135.00 137.47 1ucp s PRO 40 Ca 0.38 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 1ucp s PRO 40 Cb -0.15 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.59 1ucp s PRO 40 CO 0.07 -1.52 1.82 -0.09 0.04 0.00 0.00 177.00 177.32 1ucp h ARG 41 N -0.79 0.93 -0.33 4.56 2.43 -1.95 -1.83 114.38 117.41 1ucp h ARG 41 Ca -0.44 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 58.69 1ucp h ARG 41 Cb 1.23 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.54 1ucp h ARG 41 CO 0.52 0.68 -0.02 0.78 -1.51 0.00 0.00 179.97 180.42 1ucp h GLY 42 N 0.92 0.30 0.70 2.80 0.00 -1.97 0.11 103.07 105.93 1ucp h GLY 42 Ca 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1ucp h GLY 42 CO -0.04 -0.09 -0.49 0.00 0.00 0.00 0.00 176.54 175.91 1ucp h ALA 43 N 1.30 -1.24 -0.92 3.60 0.00 -1.87 -1.03 119.26 119.10 1ucp h ALA 43 Ca 0.16 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1ucp h ALA 43 Cb 0.22 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1ucp h ALA 43 CO -0.29 -1.22 0.52 -0.07 0.00 0.00 0.00 179.25 178.19 1ucp h LEU 44 N -1.14 0.66 -0.34 0.00 3.38 -0.91 0.02 115.31 116.98 1ucp h LEU 44 Ca -0.09 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1ucp h LEU 44 Cb 0.93 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1ucp h LEU 44 CO 0.05 0.26 -0.70 -0.07 0.09 0.00 0.00 178.44 178.08 1ucp h LEU 45 N 0.71 0.00 -0.54 1.67 -0.00 -0.65 -2.78 115.31 113.72 1ucp h LEU 45 Ca 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.36 1ucp h LEU 45 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1ucp h LEU 45 CO -0.36 0.70 -0.14 0.77 -0.00 0.00 0.00 178.44 179.40 1ucp h SER 46 N 0.00 0.00 -3.94 -0.43 4.64 0.32 -3.45 113.55 110.69 1ucp h SER 46 Ca -0.01 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 1ucp h SER 46 Cb 1.38 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.54 1ucp h SER 46 CO 0.09 0.14 0.26 -0.04 -0.87 0.00 0.00 176.83 176.41 1ucp s MET 47 N -3.35 2.91 0.00 4.77 -1.94 -0.29 -5.09 119.30 116.31 1ucp s MET 47 Ca 0.04 0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1ucp s MET 47 Cb 0.07 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1ucp s MET 47 CO 0.65 -0.81 0.00 -0.40 -0.01 0.00 0.00 175.02 174.45 1ucp n ASP 48 N -2.72 1.95 -0.10 3.03 5.75 -1.26 -4.91 116.55 118.28 1ucp n ASP 48 Ca 0.05 -0.45 -0.09 0.00 -0.01 0.00 0.00 54.79 54.29 1ucp n ASP 48 Cb 0.57 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.42 -0.04 2.12 0.00 -1.95 0.12 119.26 120.94 1ucp h ALA 49 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ucp h ALA 49 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ucp h ALA 49 CO 0.00 -0.11 -0.15 1.25 0.00 0.00 0.00 179.25 180.24 1ucp h LEU 50 N 0.44 0.20 -0.85 0.00 6.46 -1.97 -0.51 115.31 119.09 1ucp h LEU 50 Ca 0.12 -0.65 0.07 0.00 -0.12 0.00 0.00 57.88 57.30 1ucp h LEU 50 Cb -0.04 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.77 1ucp h LEU 50 CO -0.03 0.82 0.52 0.44 -0.62 0.00 0.00 178.44 179.57 1ucp h ASP 51 N -0.41 0.80 0.49 1.25 3.32 -1.95 -1.89 116.42 118.03 1ucp h ASP 51 Ca -0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1ucp h ASP 51 Cb 0.81 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1ucp h ASP 51 CO 0.03 0.50 -0.24 0.25 -1.72 0.00 0.00 179.24 178.07 1ucp h LEU 52 N 0.93 -0.56 -0.44 1.55 6.46 -0.69 -0.94 115.31 121.62 1ucp h LEU 52 Ca 0.38 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.20 1ucp h LEU 52 Cb 0.21 0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 40.19 1ucp h LEU 52 CO -0.19 -0.32 -0.23 0.74 -0.62 0.00 0.00 178.44 177.82 1ucp h THR 53 N -0.77 0.35 -0.11 1.05 2.02 -0.54 0.43 112.91 115.35 1ucp h THR 53 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ucp h THR 53 Cb 0.56 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1ucp h THR 53 CO 0.11 0.00 0.05 0.44 0.37 0.00 0.00 175.52 176.49 1ucp h ASP 54 N -0.14 0.15 0.04 4.18 5.19 -1.41 -1.90 116.42 122.52 1ucp h ASP 54 Ca 0.21 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1ucp h ASP 54 Cb 0.47 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1ucp h ASP 54 CO -0.53 0.25 -0.02 0.50 -3.12 0.00 0.00 179.24 176.33 1ucp h LYS 55 N 0.03 -0.05 -0.22 3.56 3.64 0.07 -0.09 116.57 123.51 1ucp h LYS 55 Ca 0.04 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1ucp h LYS 55 Cb 0.15 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 1ucp h LYS 55 CO -0.00 0.08 -0.14 1.25 -2.27 0.00 0.00 179.45 178.37 1ucp h LEU 56 N -0.18 -0.45 -0.58 5.20 7.12 -0.23 0.38 115.31 126.57 1ucp h LEU 56 Ca -0.01 0.10 -0.12 0.00 0.13 0.00 0.00 57.88 57.98 1ucp h LEU 56 Cb 0.16 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1ucp h LEU 56 CO 0.01 -0.18 -0.18 0.58 -0.13 0.00 0.00 178.44 178.54 1ucp h VAL 57 N -0.13 1.27 -0.01 1.05 2.07 -1.19 -0.58 116.25 118.73 1ucp h VAL 57 Ca 0.12 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1ucp h VAL 57 Cb 0.31 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ucp h VAL 57 CO -0.29 0.46 -0.00 -1.28 0.02 0.00 0.00 177.57 176.47 1ucp h SER 58 N 0.82 0.02 0.45 0.57 0.87 -0.55 -1.24 113.55 114.49 1ucp h SER 58 Ca 0.12 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 1ucp h SER 58 Cb 0.74 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1ucp h SER 58 CO 0.06 0.42 -0.22 0.15 -0.53 0.00 0.00 176.83 176.71 1ucp h PHE 59 N -0.37 0.00 0.00 2.24 3.04 -0.26 -3.41 116.94 118.18 1ucp h PHE 59 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ucp h PHE 59 Cb 0.41 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1ucp h PHE 59 CO 0.06 0.22 0.00 0.66 -2.02 0.00 0.00 178.31 177.23 1ucp n TYR 60 N -3.78 0.00 -3.73 0.41 4.01 -0.23 -4.61 117.16 109.23 1ucp n TYR 60 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.71 1ucp n TYR 60 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.10 -0.00 7.72 2.01 -0.47 -4.97 118.68 122.87 1ucp s LEU 61 Ca 0.00 -0.33 -0.24 0.00 0.01 0.00 0.00 54.13 53.57 1ucp s LEU 61 Cb 0.00 1.82 -0.15 0.00 0.01 0.00 0.00 46.19 47.87 1ucp s LEU 61 CO 0.00 -0.66 1.11 -0.33 1.01 0.00 0.00 176.35 177.48 1ucp h GLU 62 N 2.00 -0.48 0.44 1.70 3.07 -1.92 0.12 114.58 119.51 1ucp h GLU 62 Ca -0.27 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1ucp h GLU 62 Cb 1.22 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1ucp h GLU 62 CO 0.28 -0.16 -0.23 1.15 -1.40 0.00 0.00 179.01 178.65 1ucp h THR 63 N -0.89 0.53 -0.68 1.13 2.02 -1.98 -0.95 112.91 112.09 1ucp h THR 63 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1ucp h THR 63 Cb 0.54 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1ucp h THR 63 CO 0.08 0.00 0.45 0.22 0.37 0.00 0.00 175.52 176.64 1ucp h TYR 64 N -0.62 0.80 0.04 3.16 5.03 -1.96 -1.66 116.97 121.77 1ucp h TYR 64 Ca -0.06 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 1ucp h TYR 64 Cb 0.49 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1ucp h TYR 64 CO -0.06 0.48 -0.02 0.78 -1.32 0.00 0.00 178.16 178.02 1ucp h GLY 65 N 0.84 -0.06 1.30 1.82 0.00 0.01 0.15 103.07 107.13 1ucp h GLY 65 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 1ucp h GLY 65 CO -0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 176.54 176.18 1ucp h ALA 66 N 0.80 0.81 0.28 3.60 0.00 -1.03 0.32 119.26 124.04 1ucp h ALA 66 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ucp h ALA 66 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ucp h ALA 66 CO 0.01 0.65 -0.32 1.49 0.00 0.00 0.00 179.25 181.08 1ucp h GLU 67 N 0.69 -0.62 -0.14 0.00 4.57 -1.12 -0.56 114.58 117.40 1ucp h GLU 67 Ca 0.09 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 1ucp h GLU 67 Cb 0.79 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 1ucp h GLU 67 CO 0.07 -0.41 -0.22 1.25 -1.18 0.00 0.00 179.01 178.51 1ucp h LEU 68 N -0.64 -0.69 0.20 1.64 6.46 -0.63 -0.30 115.31 121.34 1ucp h LEU 68 Ca -0.01 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1ucp h LEU 68 Cb 0.60 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1ucp h LEU 68 CO -0.09 -0.27 -0.14 0.74 -0.62 0.00 0.00 178.44 178.06 1ucp h THR 69 N -0.28 0.69 -0.40 1.05 2.02 -0.61 0.61 112.91 116.00 1ucp h THR 69 Ca 0.10 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.32 1ucp h THR 69 Cb 0.43 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1ucp h THR 69 CO -0.30 0.00 0.27 0.00 0.37 0.00 0.00 175.52 175.85 1ucp h ALA 70 N 0.45 1.86 0.41 6.16 0.00 -1.00 -0.78 119.26 126.36 1ucp h ALA 70 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ucp h ALA 70 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ucp h ALA 70 CO -0.00 0.09 -0.20 -0.97 0.00 0.00 0.00 179.25 178.17 1ucp h ASN 71 N 0.41 -0.46 -0.64 0.00 -0.73 0.44 -0.28 115.58 114.31 1ucp h ASN 71 Ca 0.16 -0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.28 1ucp h ASN 71 Cb 0.14 0.12 -0.05 0.00 0.27 0.00 0.00 38.32 38.81 1ucp h ASN 71 CO -0.04 -0.15 0.37 0.58 -0.37 0.00 0.00 177.43 177.83 1ucp h VAL 72 N -0.80 1.01 -0.02 2.57 2.07 -0.70 0.41 116.25 120.80 1ucp h VAL 72 Ca -0.06 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1ucp h VAL 72 Cb 0.54 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1ucp h VAL 72 CO 0.09 0.13 -0.21 -0.07 0.02 0.00 0.00 177.57 177.53 1ucp h LEU 73 N 0.70 -0.62 -1.24 2.57 3.38 -1.09 -1.67 115.31 117.35 1ucp h LEU 73 Ca 0.28 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 1ucp h LEU 73 Cb 0.12 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ucp h LEU 73 CO -0.15 -0.28 -0.34 -0.09 0.09 0.00 0.00 178.44 177.67 1ucp h ARG 74 N -0.33 0.00 -0.89 1.13 1.12 -0.51 -2.06 114.38 112.84 1ucp h ARG 74 Ca 0.07 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.92 1ucp h ARG 74 Cb 0.41 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.33 1ucp h ARG 74 CO -0.21 0.34 0.50 0.22 -3.11 0.00 0.00 179.97 177.71 1ucp h ASP 75 N 0.00 1.11 0.73 -3.80 3.58 0.30 -0.19 116.42 118.15 1ucp h ASP 75 Ca -0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ucp h ASP 75 Cb 0.71 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1ucp h ASP 75 CO 0.04 0.89 0.00 0.23 -2.88 0.00 0.00 179.24 177.52 1ucp n MET 76 N -4.34 0.04 0.00 0.28 2.81 -0.67 -4.91 117.12 110.33 1ucp n MET 76 Ca 0.09 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1ucp n MET 76 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.79 0.87 3.69 3.03 0.00 -0.08 -5.10 105.19 108.39 1ucp n GLY 77 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 4.26 -0.03 0.99 0.20 -0.82 -4.89 118.68 118.40 1ucp s LEU 78 Ca 0.00 1.50 0.06 0.00 0.69 0.00 0.00 54.13 56.38 1ucp s LEU 78 Cb 0.00 -3.51 -0.09 0.00 -0.43 0.00 0.00 46.19 42.16 1ucp s LEU 78 CO 0.00 -0.40 0.10 0.00 -0.29 0.00 0.00 176.35 175.76 1ucp n GLN 79 N 4.80 1.18 0.16 1.98 10.64 -1.26 -2.51 117.38 132.37 1ucp n GLN 79 Ca 0.07 -0.04 -0.06 0.00 -1.83 0.00 0.00 57.00 55.14 1ucp n GLN 79 Cb 0.49 -1.15 -0.03 0.00 -0.86 0.00 0.00 30.24 28.69 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 -0.39 0.00 2.61 9.09 -1.99 -1.06 114.58 122.83 1ucp h GLU 80 Ca -0.05 0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 1ucp h GLU 80 Cb 0.66 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.84 1ucp h GLU 80 CO 0.00 -0.26 -0.26 1.98 0.05 0.00 0.00 179.01 180.52 1ucp h MET 81 N -0.50 0.00 0.03 1.06 1.85 -1.97 -1.44 114.93 113.96 1ucp h MET 81 Ca -0.04 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1ucp h MET 81 Cb 0.31 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.34 1ucp h MET 81 CO 0.07 0.26 -0.02 0.00 -0.40 0.00 0.00 176.91 176.82 1ucp h ALA 82 N 1.74 -0.05 0.33 0.39 0.00 -1.77 0.23 119.26 120.14 1ucp h ALA 82 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ucp h ALA 82 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ucp h ALA 82 CO 0.03 -0.52 -0.16 0.78 0.00 0.00 0.00 179.25 179.38 1ucp h GLY 83 N -0.06 -0.47 1.63 0.00 0.00 -0.94 -2.03 103.07 101.21 1ucp h GLY 83 Ca -0.00 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1ucp h GLY 83 CO 0.01 -0.17 0.25 1.46 0.00 0.00 0.00 176.54 178.08 1ucp h GLN 84 N -0.63 0.48 -0.05 4.80 1.08 -1.24 -0.12 115.11 119.43 1ucp h GLN 84 Ca -0.05 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1ucp h GLN 84 Cb 0.45 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1ucp h GLN 84 CO 0.07 0.32 0.01 1.25 -0.95 0.00 0.00 178.83 179.54 1ucp h LEU 85 N 0.50 0.08 0.17 1.46 5.85 -0.39 0.20 115.31 123.17 1ucp h LEU 85 Ca 0.14 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ucp h LEU 85 Cb -0.05 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1ucp h LEU 85 CO -0.03 0.28 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.55 1ucp h GLN 86 N -0.13 -0.38 0.00 1.25 4.15 -0.93 -0.81 115.11 118.26 1ucp h GLN 86 Ca 0.02 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1ucp h GLN 86 Cb 0.23 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ucp h GLN 86 CO -0.00 -0.25 0.00 0.00 -1.93 0.00 0.00 178.83 176.65 1ucp h ALA 87 N 0.38 1.00 0.13 3.38 0.00 -0.84 0.65 119.26 123.97 1ucp h ALA 87 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1ucp h ALA 87 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ucp h ALA 87 CO -0.06 0.00 -1.84 0.00 0.00 0.00 0.00 179.25 177.36 1ucp h ALA 88 N 2.06 0.34 -0.09 0.00 0.00 -0.33 -3.19 119.26 118.04 1ucp h ALA 88 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 54.91 53.52 1ucp h ALA 88 Cb 0.16 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ucp h ALA 88 CO 0.00 1.16 -0.35 1.15 0.00 0.00 0.00 179.25 181.21 1ucp h THR 89 N -0.04 1.28 -0.92 0.00 2.02 0.15 -3.42 112.91 111.98 1ucp h THR 89 Ca -0.39 -1.34 0.08 0.00 0.77 0.00 0.00 66.41 65.53 1ucp h THR 89 Cb 1.97 1.60 -0.21 0.00 -1.74 0.00 0.00 68.15 69.77 1ucp h THR 89 CO 0.08 0.40 -0.27 -2.28 0.37 0.00 0.00 175.52 173.82 1ucp s HIS 90 N -4.25 -1.58 -2.32 3.16 5.65 0.09 -4.51 115.29 111.53 1ucp s HIS 90 Ca -0.04 1.34 0.29 0.00 0.25 0.00 0.00 55.06 56.90 1ucp s HIS 90 Cb 0.14 0.43 1.37 0.00 -1.18 0.00 0.00 32.58 33.33 1ucp s HIS 90 CO 0.75 -0.89 1.92 0.94 -0.65 0.00 0.00 174.74 176.82