#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 -1.88 0.38 -5.12 0.00 -1.26 -4.60 105.19 92.71 1ucp n GLY 2 Ca 0.00 -0.88 0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 0.18 0.49 1.61 2.47 -1.95 0.40 114.38 117.58 1ucp h ARG 3 Ca 0.00 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1ucp h ARG 3 Cb 0.00 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1ucp h ARG 3 CO 0.00 0.12 -0.24 0.00 0.56 0.00 0.00 179.97 180.42 1ucp h ALA 4 N 1.70 -0.66 -0.16 0.04 0.00 -1.87 0.15 119.26 118.45 1ucp h ALA 4 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ucp h ALA 4 Cb 0.90 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ucp h ALA 4 CO -0.05 -0.85 0.10 0.00 0.00 0.00 0.00 179.25 178.44 1ucp h ARG 5 N -0.70 0.20 -0.91 0.00 3.08 -1.57 -1.74 114.38 112.75 1ucp h ARG 5 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ucp h ARG 5 Cb 0.53 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1ucp h ARG 5 CO 0.11 0.13 0.57 -0.44 -1.07 0.00 0.00 179.97 179.27 1ucp h ASP 6 N 0.20 1.07 -0.31 7.04 3.32 -0.86 0.31 116.42 127.19 1ucp h ASP 6 Ca 0.06 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1ucp h ASP 6 Cb -0.01 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1ucp h ASP 6 CO -0.03 0.80 -0.42 0.00 -1.72 0.00 0.00 179.24 177.87 1ucp h ALA 7 N 1.39 0.46 0.14 3.45 0.00 -0.40 0.25 119.26 124.55 1ucp h ALA 7 Ca 0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ucp h ALA 7 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ucp h ALA 7 CO -0.07 0.59 -0.07 0.82 0.00 0.00 0.00 179.25 180.52 1ucp h ILE 8 N 0.60 0.92 -0.43 0.00 2.04 -0.85 -1.23 117.51 118.56 1ucp h ILE 8 Ca 0.03 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1ucp h ILE 8 Cb 1.02 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1ucp h ILE 8 CO 0.10 0.07 0.16 0.25 0.00 0.00 0.00 178.15 178.73 1ucp h LEU 9 N -0.32 0.60 -0.75 1.44 6.46 -0.87 0.73 115.31 122.60 1ucp h LEU 9 Ca -0.02 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1ucp h LEU 9 Cb 0.26 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 1ucp h LEU 9 CO 0.03 0.62 0.48 0.44 -0.62 0.00 0.00 178.44 179.39 1ucp h ASP 10 N 0.55 0.81 0.52 1.25 3.32 -0.52 0.66 116.42 123.00 1ucp h ASP 10 Ca 0.14 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1ucp h ASP 10 Cb 0.21 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1ucp h ASP 10 CO -0.01 0.57 -0.25 0.00 -1.72 0.00 0.00 179.24 177.83 1ucp h ALA 11 N 1.30 -0.69 -0.84 3.45 0.00 -0.43 -0.91 119.26 121.14 1ucp h ALA 11 Ca 0.29 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.21 1ucp h ALA 11 Cb -0.04 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1ucp h ALA 11 CO -0.09 -0.85 0.37 -0.07 0.00 0.00 0.00 179.25 178.61 1ucp h LEU 12 N -0.77 0.35 -0.45 0.00 -0.00 -0.50 -0.52 115.31 113.42 1ucp h LEU 12 Ca -0.07 0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.90 1ucp h LEU 12 Cb 0.57 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 1ucp h LEU 12 CO 0.12 0.08 0.13 -0.33 -0.00 0.00 0.00 178.44 178.44 1ucp h GLU 13 N 0.46 0.70 0.00 1.13 4.39 -0.77 -2.66 114.58 117.84 1ucp h GLU 13 Ca 0.49 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1ucp h GLU 13 Cb 0.82 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1ucp h GLU 13 CO -0.45 0.68 0.00 0.09 -1.16 0.00 0.00 179.01 178.17 1ucp n ASN 14 N -4.54 0.23 -4.84 1.42 3.02 -0.36 -4.69 115.26 105.50 1ucp n ASN 14 Ca 0.01 0.56 -0.32 0.00 -0.03 0.00 0.00 54.58 54.79 1ucp n ASN 14 Cb 0.19 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 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 -3.50 4.00 0.62 3.41 1.43 -0.33 -5.06 118.68 119.25 1ucp s LEU 15 Ca 0.06 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1ucp s LEU 15 Cb 0.09 -4.21 0.08 0.00 0.03 0.00 0.00 46.19 42.18 1ucp s LEU 15 CO 0.31 -0.27 0.86 0.42 0.23 0.00 0.00 176.35 177.90 1ucp s THR 16 N -2.09 2.40 0.41 5.49 -4.23 -1.26 -4.79 115.64 111.57 1ucp s THR 16 Ca 0.56 -0.68 0.11 0.00 -1.18 0.00 0.00 61.69 60.50 1ucp s THR 16 Cb -0.10 -2.73 0.31 0.00 1.34 0.00 0.00 72.50 71.33 1ucp s THR 16 CO 0.18 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.24 1ucp h ALA 17 N -0.15 1.89 -0.00 3.99 0.00 -1.96 0.29 119.26 123.31 1ucp h ALA 17 Ca -0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 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 0.46 -0.01 -0.31 1.49 0.00 0.00 0.00 179.25 180.87 1ucp h GLU 18 N 0.53 0.22 -0.97 0.00 4.81 -1.99 -1.11 114.58 116.08 1ucp h GLU 18 Ca 0.28 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1ucp h GLU 18 Cb 0.41 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1ucp h GLU 18 CO -0.09 0.95 0.64 0.93 -0.73 0.00 0.00 179.01 180.72 1ucp h GLU 19 N -0.42 1.26 -0.75 1.92 4.39 -1.80 -0.83 114.58 118.35 1ucp h GLU 19 Ca -0.04 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1ucp h GLU 19 Cb 1.06 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1ucp h GLU 19 CO 0.06 0.83 0.27 -0.07 -1.16 0.00 0.00 179.01 178.95 1ucp h LEU 20 N 1.30 1.06 0.12 1.33 3.38 -0.51 0.15 115.31 122.14 1ucp h LEU 20 Ca 0.36 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ucp h LEU 20 Cb -0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.32 1ucp h LEU 20 CO -0.09 0.96 -0.27 0.50 0.09 0.00 0.00 178.44 179.63 1ucp h LYS 21 N 1.10 -0.47 -0.56 1.13 1.63 0.08 0.13 116.57 119.60 1ucp h LYS 21 Ca 0.25 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 1ucp h LYS 21 Cb 0.25 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1ucp h LYS 21 CO -0.02 -0.31 0.05 0.87 -3.45 0.00 0.00 179.45 176.59 1ucp h LYS 22 N -0.49 0.91 0.71 1.90 1.79 -0.96 -1.09 116.57 119.35 1ucp h LYS 22 Ca 0.03 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.22 1ucp h LYS 22 Cb 0.51 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1ucp h LYS 22 CO -0.15 0.88 -0.34 0.35 -1.08 0.00 0.00 179.45 179.10 1ucp h PHE 23 N 0.86 -0.89 -0.59 -1.35 3.57 -0.46 0.10 116.94 118.19 1ucp h PHE 23 Ca 0.17 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.79 1ucp h PHE 23 Cb 0.43 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1ucp h PHE 23 CO 0.03 -0.55 0.41 0.87 -2.23 0.00 0.00 178.31 176.84 1ucp h LYS 24 N -0.98 0.17 0.02 1.11 1.57 -0.54 0.31 116.57 118.23 1ucp h LYS 24 Ca -0.10 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ucp h LYS 24 Cb 0.74 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1ucp h LYS 24 CO 0.16 0.11 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.08 1ucp h LEU 25 N 0.17 -0.02 -1.95 2.94 3.38 -0.98 -3.31 115.31 115.55 1ucp h LEU 25 Ca 0.28 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1ucp h LEU 25 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ucp h LEU 25 CO -0.05 0.82 0.16 0.11 0.09 0.00 0.00 178.44 179.57 1ucp h LYS 26 N -0.94 0.06 0.00 1.13 1.79 -0.08 0.17 116.57 118.71 1ucp h LYS 26 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ucp h LYS 26 Cb 0.76 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1ucp h LYS 26 CO 0.00 0.04 0.00 -0.07 -1.08 0.00 0.00 179.45 178.34 1ucp h LEU 27 N 0.06 0.00 -1.98 2.94 3.38 -0.50 -3.27 115.31 115.94 1ucp h LEU 27 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1ucp h LEU 27 Cb 0.33 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 1ucp h LEU 27 CO -0.01 0.00 -0.47 -0.11 0.09 0.00 0.00 178.44 177.94 1ucp n LEU 28 N -2.99 0.09 -0.38 1.67 -0.00 0.34 -4.62 117.00 111.10 1ucp n LEU 28 Ca -0.03 -1.35 0.08 0.00 -0.00 0.00 0.00 56.01 54.71 1ucp n LEU 28 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1ucp n LEU 28 CO 0.19 0.65 0.28 -0.24 -0.00 0.00 0.00 177.39 178.27 1ucp n SER 29 N 0.11 1.66 -3.84 1.96 2.88 0.34 -4.88 113.62 111.85 1ucp n SER 29 Ca -0.02 -1.33 -0.12 0.00 -1.33 0.00 0.00 58.87 56.07 1ucp n SER 29 Cb 0.75 0.43 -0.09 0.00 -0.75 0.00 0.00 64.21 64.55 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 -1.82 0.08 1.05 2.46 0.11 -1.26 -5.05 120.40 115.97 1ucp s VAL 30 Ca 0.13 -0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 58.38 1ucp s VAL 30 Cb 0.13 -0.49 0.25 0.00 -1.53 0.00 0.00 36.38 34.74 1ucp s VAL 30 CO 0.38 -0.34 1.28 -0.81 -3.33 0.00 0.00 175.10 172.27 1ucp n PRO 31 N 1.39 -1.80 -4.49 1.54 -0.04 -1.26 -4.92 135.00 125.42 1ucp n PRO 31 Ca -0.22 -1.99 -0.31 0.00 -0.04 0.00 0.00 63.50 60.94 1ucp n PRO 31 Cb 0.56 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 1ucp n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ucp s LEU 32 N 0.00 2.36 0.95 1.53 2.96 -1.26 -5.10 118.68 120.12 1ucp s LEU 32 Ca 0.75 -1.56 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 1ucp s LEU 32 Cb -0.03 -0.85 0.16 0.00 0.50 0.00 0.00 46.19 45.97 1ucp s LEU 32 CO 0.54 -0.99 1.13 -0.13 -1.32 0.00 0.00 176.35 175.58 1ucp s ARG 33 N -4.03 0.78 0.61 1.98 0.52 -1.26 -5.02 118.95 112.53 1ucp s ARG 33 Ca 0.12 0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 55.52 1ucp s ARG 33 Cb -0.00 -1.80 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 1ucp s ARG 33 CO 0.07 -2.44 0.97 -2.00 0.02 0.00 0.00 175.30 171.92 1ucp s GLU 34 N -5.24 3.18 0.00 3.54 2.56 -1.26 -3.64 118.70 117.84 1ucp s GLU 34 Ca 0.65 0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.98 1ucp s GLU 34 Cb -0.15 -2.17 0.00 0.00 2.00 0.00 0.00 34.13 33.81 1ucp s GLU 34 CO 0.54 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.98 1ucp n GLY 35 N -2.69 1.25 3.27 -1.50 0.00 -1.26 -5.00 105.19 99.26 1ucp n GLY 35 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.95 1.59 0.00 1.61 2.02 -1.24 -5.08 117.35 113.30 1ucp s TYR 36 Ca 0.00 -1.56 0.00 0.00 -0.37 0.00 0.00 57.07 55.14 1ucp s TYR 36 Cb 0.00 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 1ucp s TYR 36 CO 0.00 -0.78 0.00 0.41 -1.57 0.00 0.00 175.55 173.61 1ucp n GLY 37 N -0.53 4.41 3.06 0.71 0.00 -1.26 -4.87 105.19 106.71 1ucp n GLY 37 Ca 0.05 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.20 0.60 0.08 1.61 1.81 -1.26 -4.79 118.95 116.80 1ucp s ARG 38 Ca 0.00 -0.63 -0.25 0.00 -1.72 0.00 0.00 55.73 53.13 1ucp s ARG 38 Cb 0.00 -0.48 -0.06 0.00 -0.45 0.00 0.00 34.95 33.96 1ucp s ARG 38 CO 0.00 0.11 0.79 0.42 -0.68 0.00 0.00 175.30 175.93 1ucp s ILE 39 N -0.96 4.61 0.61 1.52 1.01 -1.26 -5.04 121.20 121.68 1ucp s ILE 39 Ca -0.04 1.69 -0.18 0.00 0.00 0.00 0.00 60.65 62.12 1ucp s ILE 39 Cb -0.08 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1ucp s ILE 39 CO 0.01 0.40 1.17 -2.16 0.00 0.00 0.00 174.94 174.36 1ucp s PRO 40 N -0.35 2.95 0.42 2.79 0.04 -1.26 -4.68 135.00 134.91 1ucp s PRO 40 Ca 0.38 1.69 0.19 0.00 0.04 0.00 0.00 61.00 63.31 1ucp s PRO 40 Cb -0.21 -1.94 0.93 0.00 0.04 0.00 0.00 34.50 33.31 1ucp s PRO 40 CO 0.24 -1.19 1.87 -0.09 0.04 0.00 0.00 177.00 177.87 1ucp h ARG 41 N 0.69 0.00 0.05 4.56 2.43 -1.90 -0.87 114.38 119.33 1ucp h ARG 41 Ca -0.49 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1ucp h ARG 41 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ucp h ARG 41 CO 0.55 0.29 -0.02 0.78 -1.51 0.00 0.00 179.97 180.06 1ucp h GLY 42 N 1.35 -0.06 0.67 2.80 0.00 -1.94 -0.95 103.07 104.94 1ucp h GLY 42 Ca -0.00 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1ucp h GLY 42 CO 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 176.54 176.51 1ucp h ALA 43 N 0.73 0.09 -0.96 3.60 0.00 -1.82 -1.56 119.26 119.35 1ucp h ALA 43 Ca -0.01 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ucp h ALA 43 Cb 0.19 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1ucp h ALA 43 CO 0.01 -0.49 0.63 -0.07 0.00 0.00 0.00 179.25 179.33 1ucp h LEU 44 N -0.01 1.04 -0.61 0.00 3.38 -1.11 0.39 115.31 118.38 1ucp h LEU 44 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ucp h LEU 44 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1ucp h LEU 44 CO -0.17 0.71 0.21 -0.07 0.09 0.00 0.00 178.44 179.21 1ucp h LEU 45 N 1.21 0.88 -1.35 1.67 -0.00 -0.72 -2.74 115.31 114.26 1ucp h LEU 45 Ca 0.38 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 58.02 1ucp h LEU 45 Cb 0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.43 1ucp h LEU 45 CO -0.12 0.84 -0.20 0.77 -0.00 0.00 0.00 178.44 179.72 1ucp h SER 46 N 0.86 0.00 -3.70 -0.43 4.64 -0.34 -3.45 113.55 111.14 1ucp h SER 46 Ca 0.20 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.02 1ucp h SER 46 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ucp h SER 46 CO -0.01 0.20 0.12 -0.04 -0.87 0.00 0.00 176.83 176.23 1ucp s MET 47 N -3.81 3.78 0.00 4.77 -1.94 0.04 -5.10 119.30 117.04 1ucp s MET 47 Ca -0.01 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1ucp s MET 47 Cb 0.11 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.56 1ucp s MET 47 CO 0.62 -0.04 0.00 -0.40 -0.01 0.00 0.00 175.02 175.20 1ucp n ASP 48 N -1.29 0.80 -0.06 3.03 5.68 -1.26 -4.89 116.55 118.56 1ucp n ASP 48 Ca 0.02 -0.71 -0.10 0.00 -0.50 0.00 0.00 54.79 53.50 1ucp n ASP 48 Cb 0.54 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.48 1ucp n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ucp h ALA 49 N 0.44 0.28 -0.18 2.12 0.00 -1.93 0.19 119.26 120.18 1ucp h ALA 49 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ucp h ALA 49 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ucp h ALA 49 CO 0.00 -0.15 -0.23 1.25 0.00 0.00 0.00 179.25 180.12 1ucp h LEU 50 N 0.21 0.51 -0.26 0.00 6.46 -1.97 -0.31 115.31 119.95 1ucp h LEU 50 Ca 0.07 -0.51 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 1ucp h LEU 50 Cb 0.14 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 1ucp h LEU 50 CO -0.01 0.92 -0.01 0.44 -0.62 0.00 0.00 178.44 179.16 1ucp h ASP 51 N 0.12 -0.11 0.47 1.25 3.32 -1.95 -1.11 116.42 118.41 1ucp h ASP 51 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1ucp h ASP 51 Cb 0.79 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1ucp h ASP 51 CO 0.05 -0.02 -0.28 0.25 -1.72 0.00 0.00 179.24 177.52 1ucp h LEU 52 N 0.07 -0.71 -0.44 1.55 6.46 -0.90 -1.54 115.31 119.80 1ucp h LEU 52 Ca 0.12 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.00 1ucp h LEU 52 Cb 0.16 0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 1ucp h LEU 52 CO -0.21 -0.45 -0.41 0.74 -0.62 0.00 0.00 178.44 177.48 1ucp h THR 53 N -0.72 0.12 -0.29 1.05 2.02 -0.59 0.41 112.91 114.92 1ucp h THR 53 Ca -0.05 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1ucp h THR 53 Cb 0.58 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ucp h THR 53 CO 0.06 0.00 -0.18 0.44 0.37 0.00 0.00 175.52 176.21 1ucp h ASP 54 N -0.30 0.50 0.42 4.18 3.32 -1.19 -0.21 116.42 123.14 1ucp h ASP 54 Ca 0.15 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1ucp h ASP 54 Cb 0.57 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1ucp h ASP 54 CO -0.59 0.70 -0.20 0.50 -1.72 0.00 0.00 179.24 177.92 1ucp h LYS 55 N 0.46 -0.54 0.00 3.56 3.64 -0.17 -1.74 116.57 121.78 1ucp h LYS 55 Ca 0.08 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1ucp h LYS 55 Cb 0.57 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ucp h LYS 55 CO 0.04 -0.25 0.00 1.25 -2.27 0.00 0.00 179.45 178.22 1ucp h LEU 56 N -1.02 0.00 0.00 5.20 7.12 -0.10 0.14 115.31 126.65 1ucp h LEU 56 Ca -0.06 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1ucp h LEU 56 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1ucp h LEU 56 CO 0.09 0.00 -0.39 0.52 -0.13 0.00 0.00 178.44 178.53 1ucp n VAL 57 N -2.77 0.96 -0.09 1.05 0.31 -0.10 -4.17 118.33 113.52 1ucp n VAL 57 Ca -0.02 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1ucp n VAL 57 Cb 0.06 -2.10 0.29 0.00 -0.91 0.00 0.00 33.84 31.18 1ucp n VAL 57 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ucp h SER 58 N -0.67 0.66 0.73 4.52 0.87 -0.95 0.77 113.55 119.49 1ucp h SER 58 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1ucp h SER 58 Cb 0.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1ucp h SER 58 CO 0.00 0.58 0.00 0.33 -0.53 0.00 0.00 176.83 177.21 1ucp n PHE 59 N -4.37 0.78 0.00 2.24 -0.00 0.47 -4.62 117.46 111.96 1ucp n PHE 59 Ca 0.04 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1ucp n PHE 59 Cb 0.13 -0.99 0.00 0.00 -0.00 0.00 0.00 39.48 38.62 1ucp n PHE 59 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1ucp n TYR 60 N -2.21 0.00 -3.44 -5.13 4.02 -0.27 -4.89 117.16 105.24 1ucp n TYR 60 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.80 1ucp n TYR 60 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 -0.52 0.09 7.72 2.01 0.11 -5.02 118.68 123.07 1ucp s LEU 61 Ca 0.00 0.02 -0.29 0.00 0.01 0.00 0.00 54.13 53.87 1ucp s LEU 61 Cb 0.00 2.45 -0.14 0.00 0.01 0.00 0.00 46.19 48.51 1ucp s LEU 61 CO 0.00 -0.87 1.65 -0.33 1.01 0.00 0.00 176.35 177.81 1ucp h GLU 62 N 2.03 -0.58 -0.22 1.70 3.07 -1.91 0.16 114.58 118.83 1ucp h GLU 62 Ca -0.31 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1ucp h GLU 62 Cb 1.29 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.32 1ucp h GLU 62 CO 0.36 -0.38 0.14 1.15 -1.40 0.00 0.00 179.01 178.88 1ucp h THR 63 N -0.60 1.05 0.00 1.13 2.02 -1.97 -1.99 112.91 112.55 1ucp h THR 63 Ca -0.03 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1ucp h THR 63 Cb 0.51 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ucp h THR 63 CO 0.01 0.05 -0.34 0.22 0.37 0.00 0.00 175.52 175.83 1ucp h TYR 64 N 0.29 0.00 -0.53 3.16 3.20 -1.92 -2.79 116.97 118.37 1ucp h TYR 64 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1ucp h TYR 64 Cb -0.03 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1ucp h TYR 64 CO -0.07 0.34 0.28 0.78 -1.64 0.00 0.00 178.16 177.85 1ucp h GLY 65 N 1.44 0.81 2.00 1.82 0.00 0.10 0.21 103.07 109.45 1ucp h GLY 65 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1ucp h GLY 65 CO 0.04 0.37 -0.38 0.00 0.00 0.00 0.00 176.54 176.57 1ucp h ALA 66 N 1.11 1.18 0.30 3.60 0.00 -1.43 -1.04 119.26 122.99 1ucp h ALA 66 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ucp h ALA 66 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ucp h ALA 66 CO -0.03 0.47 -0.14 1.49 0.00 0.00 0.00 179.25 181.04 1ucp h GLU 67 N 0.00 -0.39 -0.08 0.00 4.22 -1.01 -1.84 114.58 115.48 1ucp h GLU 67 Ca -0.00 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.50 1ucp h GLU 67 Cb 0.76 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 1ucp h GLU 67 CO 0.05 -0.06 -0.31 1.25 -2.18 0.00 0.00 179.01 177.76 1ucp h LEU 68 N -0.76 -0.94 -0.07 1.64 6.46 -0.54 0.94 115.31 122.04 1ucp h LEU 68 Ca -0.04 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1ucp h LEU 68 Cb 0.50 0.39 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 1ucp h LEU 68 CO 0.07 -0.36 -0.39 0.74 -0.62 0.00 0.00 178.44 177.88 1ucp h THR 69 N -0.41 0.19 -0.36 1.05 2.02 -1.23 0.11 112.91 114.28 1ucp h THR 69 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1ucp h THR 69 Cb 0.53 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1ucp h THR 69 CO -0.31 0.00 0.19 0.00 0.37 0.00 0.00 175.52 175.77 1ucp h ALA 70 N 0.14 1.66 0.17 6.16 0.00 -0.89 -0.15 119.26 126.35 1ucp h ALA 70 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ucp h ALA 70 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ucp h ALA 70 CO -0.35 0.29 -0.08 -0.97 0.00 0.00 0.00 179.25 178.14 1ucp h ASN 71 N 0.50 -0.19 -0.33 0.00 -1.24 0.39 0.62 115.58 115.32 1ucp h ASN 71 Ca 0.13 -0.33 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 1ucp h ASN 71 Cb 0.03 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1ucp h ASN 71 CO -0.02 0.29 0.06 0.58 -1.29 0.00 0.00 177.43 177.04 1ucp h VAL 72 N -0.74 1.20 -0.44 2.57 2.07 -0.79 0.60 116.25 120.72 1ucp h VAL 72 Ca -0.02 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1ucp h VAL 72 Cb 0.51 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ucp h VAL 72 CO 0.04 0.28 0.20 -0.07 0.02 0.00 0.00 177.57 178.03 1ucp h LEU 73 N 0.62 0.60 -1.51 2.57 3.38 -0.97 -1.42 115.31 118.57 1ucp h LEU 73 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ucp h LEU 73 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ucp h LEU 73 CO 0.00 0.58 0.23 -0.09 0.09 0.00 0.00 178.44 179.25 1ucp h ARG 74 N 0.58 0.55 -0.92 1.13 2.43 -0.32 -0.83 114.38 116.99 1ucp h ARG 74 Ca 0.15 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1ucp h ARG 74 Cb 0.16 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1ucp h ARG 74 CO -0.02 0.41 0.53 0.22 -1.51 0.00 0.00 179.97 179.60 1ucp h ASP 75 N 0.56 1.14 0.61 -3.80 1.82 -0.14 -0.47 116.42 116.13 1ucp h ASP 75 Ca 0.15 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1ucp h ASP 75 Cb 0.01 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 39.73 1ucp h ASP 75 CO -0.03 0.89 0.00 0.23 -1.61 0.00 0.00 179.24 178.73 1ucp n MET 76 N -4.34 0.07 -0.38 0.28 2.81 -0.43 -4.89 117.12 110.25 1ucp n MET 76 Ca 0.10 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1ucp n MET 76 Cb 0.08 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.07 0.73 3.69 3.03 0.00 -0.19 -5.06 105.19 107.47 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 4.31 0.00 0.99 0.20 -0.54 -4.89 118.68 118.75 1ucp s LEU 78 Ca 0.00 1.93 0.00 0.00 0.69 0.00 0.00 54.13 56.75 1ucp s LEU 78 Cb 0.00 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 1ucp s LEU 78 CO 0.00 -0.59 0.00 0.00 -0.29 0.00 0.00 176.35 175.47 1ucp n GLN 79 N 4.91 2.40 0.17 1.98 -0.00 -1.26 -3.06 117.38 122.51 1ucp n GLN 79 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 57.04 1ucp n GLN 79 Cb 0.46 -0.81 -0.03 0.00 -0.00 0.00 0.00 30.24 29.86 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 -0.42 -0.70 2.61 9.09 -2.00 -1.23 114.58 121.93 1ucp h GLU 80 Ca 0.00 0.03 0.10 0.00 0.05 0.00 0.00 59.36 59.54 1ucp h GLU 80 Cb 0.35 0.10 -0.05 0.00 -1.65 0.00 0.00 28.75 27.50 1ucp h GLU 80 CO 0.00 -0.28 0.46 1.98 0.05 0.00 0.00 179.01 181.22 1ucp h MET 81 N -0.54 0.53 -0.40 1.06 -1.53 -1.98 -1.84 114.93 110.24 1ucp h MET 81 Ca -0.04 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.11 1ucp h MET 81 Cb 0.34 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.25 1ucp h MET 81 CO 0.07 0.35 -0.02 0.00 0.14 0.00 0.00 176.91 177.45 1ucp h ALA 82 N 1.65 0.54 -0.60 0.39 0.00 -1.79 0.38 119.26 119.83 1ucp h ALA 82 Ca 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ucp h ALA 82 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ucp h ALA 82 CO -0.11 0.35 0.24 0.78 0.00 0.00 0.00 179.25 180.50 1ucp h GLY 83 N 0.55 0.96 2.00 0.00 0.00 -0.59 -1.49 103.07 104.50 1ucp h GLY 83 Ca 0.11 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1ucp h GLY 83 CO 0.03 0.50 -0.24 1.46 0.00 0.00 0.00 176.54 178.28 1ucp h GLN 84 N 0.83 0.00 -0.27 4.80 1.08 -1.11 -1.83 115.11 118.61 1ucp h GLN 84 Ca 0.20 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1ucp h GLN 84 Cb 0.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1ucp h GLN 84 CO -0.02 0.24 -0.12 1.25 -0.95 0.00 0.00 178.83 179.24 1ucp h LEU 85 N 0.00 0.57 -0.06 1.46 5.85 0.38 0.20 115.31 123.71 1ucp h LEU 85 Ca -0.00 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1ucp h LEU 85 Cb 0.47 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1ucp h LEU 85 CO 0.03 0.84 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.34 1ucp h GLN 86 N 0.30 -0.01 -0.12 1.25 5.75 -1.00 -0.84 115.11 120.43 1ucp h GLN 86 Ca 0.06 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1ucp h GLN 86 Cb 0.62 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1ucp h GLN 86 CO 0.04 -0.01 -0.02 0.00 -2.65 0.00 0.00 178.83 176.19 1ucp h ALA 87 N 1.05 0.09 0.00 3.38 0.00 -1.12 0.21 119.26 122.87 1ucp h ALA 87 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 87 Cb 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ucp h ALA 87 CO -0.07 -0.48 -0.07 0.00 0.00 0.00 0.00 179.25 178.63 1ucp h ALA 88 N 1.12 1.36 -0.01 0.00 0.00 -0.40 -0.81 119.26 120.51 1ucp h ALA 88 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ucp h ALA 88 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ucp h ALA 88 CO -0.12 0.09 -0.48 2.41 0.00 0.00 0.00 179.25 181.15 1ucp n THR 89 N -3.70 0.00 -0.56 0.00 -1.04 -0.34 -4.54 114.28 104.10 1ucp n THR 89 Ca -0.02 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.05 61.76 1ucp n THR 89 Cb 0.18 1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 69.72 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 -0.28 0.00 -1.63 -1.42 -0.00 0.02 -4.81 115.22 107.10 1ucp n HIS 90 Ca 0.09 -1.04 0.00 0.00 0.46 0.00 0.00 57.72 57.23 1ucp n HIS 90 Cb 0.43 -0.66 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 1ucp n HIS 90 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74