#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 2.70 0.36 -5.12 0.00 -1.26 -4.99 105.19 96.89 1ucp n GLY 2 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.00 0.29 1.61 2.47 -1.93 0.29 114.38 117.11 1ucp h ARG 3 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1ucp h ARG 3 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ucp h ARG 3 CO 0.00 -0.00 -0.18 0.00 0.56 0.00 0.00 179.97 180.35 1ucp h ALA 4 N 1.84 -0.45 -0.43 0.04 0.00 -1.90 0.63 119.26 119.00 1ucp h ALA 4 Ca 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1ucp h ALA 4 Cb 0.69 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1ucp h ALA 4 CO -1.01 -0.76 0.08 0.00 0.00 0.00 0.00 179.25 177.55 1ucp h ARG 5 N -0.46 0.71 -0.49 0.00 3.08 -1.42 -1.91 114.38 113.89 1ucp h ARG 5 Ca -0.03 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 1ucp h ARG 5 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1ucp h ARG 5 CO 0.03 0.74 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.21 1ucp h ASP 6 N 0.57 0.81 -0.24 7.04 3.32 -0.38 0.15 116.42 127.68 1ucp h ASP 6 Ca 0.13 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1ucp h ASP 6 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1ucp h ASP 6 CO 0.01 0.89 -0.04 0.00 -1.72 0.00 0.00 179.24 178.37 1ucp h ALA 7 N 1.20 0.33 -0.54 3.45 0.00 -0.77 0.70 119.26 123.64 1ucp h ALA 7 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ucp h ALA 7 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ucp h ALA 7 CO 0.02 0.11 0.26 0.82 0.00 0.00 0.00 179.25 180.46 1ucp h ILE 8 N 0.21 1.20 -0.08 0.00 2.04 -0.93 -0.28 117.51 119.66 1ucp h ILE 8 Ca 0.06 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1ucp h ILE 8 Cb 0.49 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1ucp h ILE 8 CO 0.02 0.22 -0.15 0.25 0.00 0.00 0.00 178.15 178.50 1ucp h LEU 9 N 0.72 -0.45 -0.83 1.44 7.12 -0.60 -0.59 115.31 122.13 1ucp h LEU 9 Ca 0.18 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.37 1ucp h LEU 9 Cb 0.12 0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 40.38 1ucp h LEU 9 CO -0.02 -0.20 0.47 0.44 -0.13 0.00 0.00 178.44 179.00 1ucp h ASP 10 N -0.20 0.66 0.81 1.25 3.32 -0.60 0.14 116.42 121.80 1ucp h ASP 10 Ca 0.08 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1ucp h ASP 10 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ucp h ASP 10 CO -0.20 0.37 -0.44 0.00 -1.72 0.00 0.00 179.24 177.25 1ucp h ALA 11 N 1.47 -1.29 -0.77 3.45 0.00 -0.19 -1.74 119.26 120.20 1ucp h ALA 11 Ca 0.41 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ucp h ALA 11 Cb 0.40 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1ucp h ALA 11 CO -0.26 -1.22 0.51 -0.07 0.00 0.00 0.00 179.25 178.21 1ucp h LEU 12 N -1.15 0.87 -0.51 0.00 -0.00 -0.88 -1.93 115.31 111.72 1ucp h LEU 12 Ca -0.11 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 1ucp h LEU 12 Cb 0.90 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1ucp h LEU 12 CO 0.15 0.63 0.22 -0.33 -0.00 0.00 0.00 178.44 179.11 1ucp h GLU 13 N 1.03 0.75 0.00 1.13 4.39 -0.76 -2.47 114.58 118.65 1ucp h GLU 13 Ca 0.28 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ucp h GLU 13 Cb -0.10 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1ucp h GLU 13 CO -0.07 0.65 0.00 0.09 -1.16 0.00 0.00 179.01 178.52 1ucp n ASN 14 N -4.57 0.00 -4.82 1.42 3.02 -0.65 -4.76 115.26 104.90 1ucp n ASN 14 Ca 0.02 0.20 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 1ucp n ASN 14 Cb 0.14 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 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 -2.76 4.17 0.49 3.41 1.43 -0.76 -5.07 118.68 119.59 1ucp s LEU 15 Ca 0.17 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.81 1ucp s LEU 15 Cb 0.15 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1ucp s LEU 15 CO 0.37 -0.14 0.71 0.42 0.23 0.00 0.00 176.35 177.94 1ucp s THR 16 N -1.82 3.43 0.54 5.49 -4.23 -1.26 -4.82 115.64 112.97 1ucp s THR 16 Ca 0.52 -0.59 0.30 0.00 -1.18 0.00 0.00 61.69 60.74 1ucp s THR 16 Cb -0.14 -3.27 0.34 0.00 1.34 0.00 0.00 72.50 70.78 1ucp s THR 16 CO 0.19 -0.19 2.21 0.00 -0.54 0.00 0.00 174.62 176.29 1ucp h ALA 17 N 0.28 1.42 0.51 3.99 0.00 -1.97 0.25 119.26 123.75 1ucp h ALA 17 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1ucp h ALA 17 Cb 1.27 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ucp h ALA 17 CO 0.55 0.04 -0.25 1.49 0.00 0.00 0.00 179.25 181.09 1ucp h GLU 18 N 0.00 -0.67 -0.80 0.00 4.22 -1.99 -1.43 114.58 113.90 1ucp h GLU 18 Ca -0.00 0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.52 1ucp h GLU 18 Cb 0.10 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1ucp h GLU 18 CO 0.00 -0.41 0.51 0.93 -2.18 0.00 0.00 179.01 177.87 1ucp h GLU 19 N -1.15 0.97 -0.76 1.92 4.39 -1.81 -1.92 114.58 116.24 1ucp h GLU 19 Ca -0.07 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1ucp h GLU 19 Cb 0.56 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1ucp h GLU 19 CO 0.12 0.64 0.34 -0.07 -1.16 0.00 0.00 179.01 178.88 1ucp h LEU 20 N 1.00 1.01 0.04 1.33 3.38 -0.58 0.21 115.31 121.71 1ucp h LEU 20 Ca 0.32 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1ucp h LEU 20 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1ucp h LEU 20 CO -0.11 0.87 -0.21 0.50 0.09 0.00 0.00 178.44 179.58 1ucp h LYS 21 N 1.07 -0.35 -0.29 1.13 3.64 -0.67 -0.35 116.57 120.74 1ucp h LYS 21 Ca 0.26 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1ucp h LYS 21 Cb 0.15 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1ucp h LYS 21 CO -0.03 -0.23 0.10 0.87 -2.27 0.00 0.00 179.45 177.89 1ucp h LYS 22 N -0.36 0.22 0.42 1.90 1.79 -0.82 -1.41 116.57 118.31 1ucp h LYS 22 Ca 0.05 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1ucp h LYS 22 Cb 0.42 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1ucp h LYS 22 CO -0.16 0.14 -0.33 0.35 -1.08 0.00 0.00 179.45 178.37 1ucp h PHE 23 N 0.22 -0.87 -0.35 -1.35 3.57 -0.36 0.17 116.94 117.97 1ucp h PHE 23 Ca 0.13 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1ucp h PHE 23 Cb 0.10 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1ucp h PHE 23 CO -0.14 -0.48 0.23 0.87 -2.23 0.00 0.00 178.31 176.56 1ucp h LYS 24 N -0.74 0.39 0.05 1.11 1.57 -0.89 0.21 116.57 118.27 1ucp h LYS 24 Ca -0.04 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1ucp h LYS 24 Cb 0.64 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1ucp h LYS 24 CO -0.00 0.26 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.58 1ucp h LEU 25 N 0.41 0.34 -0.74 2.94 3.38 -0.97 -3.34 115.31 117.33 1ucp h LEU 25 Ca 0.14 -0.87 0.10 0.00 0.09 0.00 0.00 57.88 57.33 1ucp h LEU 25 Cb 0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1ucp h LEU 25 CO -0.03 1.18 0.38 0.11 0.09 0.00 0.00 178.44 180.17 1ucp h LYS 26 N -0.45 0.63 -1.00 1.13 1.79 0.04 0.46 116.57 119.17 1ucp h LYS 26 Ca -0.07 -0.04 0.29 0.00 -2.18 0.00 0.00 60.65 58.65 1ucp h LYS 26 Cb 1.29 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 1ucp h LYS 26 CO 0.09 0.41 0.72 -0.07 -1.08 0.00 0.00 179.45 179.53 1ucp h LEU 27 N 0.64 0.00 -4.76 2.94 3.38 -1.11 -1.82 115.31 114.59 1ucp h LEU 27 Ca 0.37 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.96 1ucp h LEU 27 Cb 0.38 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.72 1ucp h LEU 27 CO -0.27 0.00 -1.00 -0.11 0.09 0.00 0.00 178.44 177.15 1ucp n LEU 28 N -4.24 2.89 0.00 1.67 0.00 0.01 -4.67 117.00 112.66 1ucp n LEU 28 Ca 0.21 -3.82 0.00 0.00 0.00 0.00 0.00 56.01 52.40 1ucp n LEU 28 Cb 1.07 0.14 0.00 0.00 0.00 0.00 0.00 43.42 44.62 1ucp n LEU 28 CO 0.39 1.53 0.00 -0.24 0.00 0.00 0.00 177.39 179.07 1ucp n SER 29 N -0.57 0.00 -4.77 1.96 2.88 -0.34 -4.94 113.62 107.85 1ucp n SER 29 Ca 0.22 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.35 1ucp n SER 29 Cb 0.85 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.63 2.72 1.16 2.46 0.11 -1.17 -5.01 120.40 120.05 1ucp s VAL 30 Ca 0.00 0.73 -0.17 0.00 -2.93 0.00 0.00 61.98 59.60 1ucp s VAL 30 Cb 0.00 -3.46 0.27 0.00 -1.53 0.00 0.00 36.38 31.65 1ucp s VAL 30 CO 0.00 0.17 1.10 -2.16 -3.33 0.00 0.00 175.10 170.88 1ucp s PRO 31 N -1.77 -0.86 0.23 1.54 0.04 -1.26 -4.85 135.00 128.07 1ucp s PRO 31 Ca 0.49 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.63 1ucp s PRO 31 Cb -0.40 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 1ucp s PRO 31 CO 0.53 -3.50 0.07 -1.17 0.04 0.00 0.00 177.00 172.97 1ucp s LEU 32 N -6.85 1.72 1.08 -3.56 2.96 -1.26 -5.10 118.68 107.68 1ucp s LEU 32 Ca 0.69 -1.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.11 1ucp s LEU 32 Cb -0.12 0.03 0.23 0.00 0.50 0.00 0.00 46.19 46.84 1ucp s LEU 32 CO 0.57 -0.70 1.17 -0.13 -1.32 0.00 0.00 176.35 175.94 1ucp s ARG 33 N -4.01 -0.24 0.66 1.98 0.52 -1.26 -4.98 118.95 111.62 1ucp s ARG 33 Ca 0.34 -0.07 -0.09 0.00 -0.52 0.00 0.00 55.73 55.39 1ucp s ARG 33 Cb 0.07 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.85 1ucp s ARG 33 CO 0.11 -3.06 1.01 -2.00 0.02 0.00 0.00 175.30 171.38 1ucp s GLU 34 N -5.50 2.76 0.00 3.54 2.12 -1.26 -3.93 118.70 116.44 1ucp s GLU 34 Ca 0.70 0.17 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1ucp s GLU 34 Cb -0.09 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1ucp s GLU 34 CO 0.55 -0.95 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 1ucp n GLY 35 N -2.84 1.12 3.31 -1.50 0.00 -1.26 -4.93 105.19 99.09 1ucp n GLY 35 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.24 1.05 0.00 1.61 2.02 -1.25 -5.11 117.35 112.43 1ucp s TYR 36 Ca 0.00 -1.27 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 1ucp s TYR 36 Cb 0.00 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.17 1ucp s TYR 36 CO 0.00 -0.77 0.00 0.41 -1.57 0.00 0.00 175.55 173.62 1ucp n GLY 37 N -0.35 5.12 2.82 0.71 0.00 -1.26 -4.83 105.19 107.41 1ucp n GLY 37 Ca 0.02 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.21 0.06 0.02 1.61 0.52 -1.26 -4.88 118.95 114.81 1ucp s ARG 38 Ca 0.00 0.08 -0.26 0.00 -0.52 0.00 0.00 55.73 55.03 1ucp s ARG 38 Cb 0.00 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 1ucp s ARG 38 CO 0.00 -0.09 0.83 0.42 0.02 0.00 0.00 175.30 176.48 1ucp s ILE 39 N 0.63 4.78 0.76 1.52 1.01 -1.26 -5.03 121.20 123.61 1ucp s ILE 39 Ca -0.05 1.75 -0.11 0.00 0.00 0.00 0.00 60.65 62.23 1ucp s ILE 39 Cb -0.08 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.26 1ucp s ILE 39 CO -0.02 0.29 1.10 -2.16 0.00 0.00 0.00 174.94 174.15 1ucp s PRO 40 N 0.34 2.30 0.25 2.79 0.04 -1.26 -4.59 135.00 134.88 1ucp s PRO 40 Ca 0.42 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1ucp s PRO 40 Cb -0.20 -1.90 0.31 0.00 0.04 0.00 0.00 34.50 32.75 1ucp s PRO 40 CO 0.24 -1.61 1.73 -0.09 0.04 0.00 0.00 177.00 177.31 1ucp h ARG 41 N -0.94 0.76 -0.51 4.56 1.12 -1.92 -1.79 114.38 115.66 1ucp h ARG 41 Ca -0.44 -0.23 0.01 0.00 -1.11 0.00 0.00 59.98 58.21 1ucp h ARG 41 Cb 1.24 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 31.09 1ucp h ARG 41 CO 0.51 0.81 0.33 0.78 -3.11 0.00 0.00 179.97 179.30 1ucp h GLY 42 N 0.97 0.71 0.76 2.80 0.00 -1.95 -0.20 103.07 106.16 1ucp h GLY 42 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1ucp h GLY 42 CO 0.03 0.24 -0.47 0.00 0.00 0.00 0.00 176.54 176.34 1ucp h ALA 43 N 1.20 -1.26 -1.00 3.60 0.00 -1.86 -1.82 119.26 118.11 1ucp h ALA 43 Ca 0.19 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1ucp h ALA 43 Cb -0.05 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1ucp h ALA 43 CO -0.06 -1.22 0.62 -0.07 0.00 0.00 0.00 179.25 178.53 1ucp h LEU 44 N -1.15 0.87 -0.26 0.00 3.38 -1.02 0.79 115.31 117.92 1ucp h LEU 44 Ca -0.10 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1ucp h LEU 44 Cb 0.92 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ucp h LEU 44 CO 0.10 0.41 -0.64 -0.07 0.09 0.00 0.00 178.44 178.33 1ucp h LEU 45 N 0.90 0.94 -0.70 1.67 -0.00 -1.02 -3.21 115.31 113.89 1ucp h LEU 45 Ca 0.53 -0.55 -0.05 0.00 -0.00 0.00 0.00 57.88 57.80 1ucp h LEU 45 Cb 0.64 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 1ucp h LEU 45 CO -0.31 1.35 0.23 0.77 -0.00 0.00 0.00 178.44 180.47 1ucp h SER 46 N 0.61 1.01 -3.92 -0.43 4.64 -0.28 -3.44 113.55 111.74 1ucp h SER 46 Ca -0.01 -0.20 -0.48 0.00 -0.47 0.00 0.00 61.79 60.62 1ucp h SER 46 Cb 1.25 -0.26 0.18 0.00 -0.31 0.00 0.00 62.40 63.26 1ucp h SER 46 CO 0.14 0.95 0.18 -0.04 -0.87 0.00 0.00 176.83 177.18 1ucp s MET 47 N -5.43 0.64 0.00 4.77 -1.94 0.13 -5.09 119.30 112.38 1ucp s MET 47 Ca -0.12 1.03 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 1ucp s MET 47 Cb 0.14 -1.72 0.00 0.00 2.01 0.00 0.00 34.83 35.26 1ucp s MET 47 CO 0.83 -2.73 0.00 -0.40 -0.01 0.00 0.00 175.02 172.72 1ucp n ASP 48 N -4.24 1.54 -0.14 3.03 5.68 -1.26 -4.91 116.55 116.24 1ucp n ASP 48 Ca 0.07 -0.47 -0.10 0.00 -0.50 0.00 0.00 54.79 53.79 1ucp n ASP 48 Cb 0.54 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.51 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 1.00 0.55 -0.02 2.12 0.00 -1.95 0.92 119.26 121.88 1ucp h ALA 49 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1ucp h ALA 49 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ucp h ALA 49 CO 0.00 0.24 -0.09 1.25 0.00 0.00 0.00 179.25 180.65 1ucp h LEU 50 N 0.54 0.11 -0.80 0.00 7.12 -1.96 -0.34 115.31 119.98 1ucp h LEU 50 Ca 0.13 -0.66 0.12 0.00 0.13 0.00 0.00 57.88 57.59 1ucp h LEU 50 Cb 0.34 -0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.35 1ucp h LEU 50 CO 0.00 0.76 0.42 0.44 -0.13 0.00 0.00 178.44 179.93 1ucp h ASP 51 N -0.52 0.54 0.84 1.25 3.32 -1.96 -0.53 116.42 119.36 1ucp h ASP 51 Ca -0.01 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ucp h ASP 51 Cb 0.76 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.29 1ucp h ASP 51 CO 0.02 0.27 -0.42 0.25 -1.72 0.00 0.00 179.24 177.64 1ucp h LEU 52 N 0.66 -1.01 -0.76 1.55 5.85 -0.76 -0.42 115.31 120.41 1ucp h LEU 52 Ca 0.41 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.32 1ucp h LEU 52 Cb 0.49 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 41.65 1ucp h LEU 52 CO -0.31 -0.70 -0.23 0.74 -0.34 0.00 0.00 178.44 177.60 1ucp h THR 53 N -1.16 0.19 -0.24 1.05 2.02 -0.24 0.46 112.91 114.99 1ucp h THR 53 Ca -0.12 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.87 1ucp h THR 53 Cb 0.89 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ucp h THR 53 CO 0.18 0.00 -0.60 0.44 0.37 0.00 0.00 175.52 175.91 1ucp h ASP 54 N -0.03 0.95 0.82 4.18 3.32 -1.14 -0.17 116.42 124.35 1ucp h ASP 54 Ca 0.35 -0.56 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1ucp h ASP 54 Cb 0.57 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ucp h ASP 54 CO -0.80 1.34 -0.46 0.50 -1.72 0.00 0.00 179.24 178.11 1ucp h LYS 55 N 0.61 -1.14 0.01 3.56 1.63 0.46 -1.80 116.57 119.90 1ucp h LYS 55 Ca -0.01 0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1ucp h LYS 55 Cb 1.22 0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 33.08 1ucp h LYS 55 CO 0.13 -0.76 -0.17 1.25 -3.45 0.00 0.00 179.45 176.45 1ucp h LEU 56 N -1.18 -0.50 -1.00 5.20 7.12 -0.19 0.32 115.31 125.07 1ucp h LEU 56 Ca -0.11 0.07 -0.08 0.00 0.13 0.00 0.00 57.88 57.89 1ucp h LEU 56 Cb 0.93 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 1ucp h LEU 56 CO 0.14 -0.24 -0.19 0.58 -0.13 0.00 0.00 178.44 178.61 1ucp h VAL 57 N -0.29 1.25 0.12 1.05 2.07 -1.08 -0.64 116.25 118.73 1ucp h VAL 57 Ca 0.05 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1ucp h VAL 57 Cb 0.35 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ucp h VAL 57 CO -0.16 0.37 -0.06 -1.28 0.02 0.00 0.00 177.57 176.47 1ucp h SER 58 N 0.45 -0.14 -0.67 0.57 0.87 -0.82 -2.99 113.55 110.83 1ucp h SER 58 Ca 0.08 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1ucp h SER 58 Cb 0.58 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1ucp h SER 58 CO 0.04 0.33 0.44 0.15 -0.53 0.00 0.00 176.83 177.26 1ucp h PHE 59 N -0.65 0.81 0.00 2.24 3.04 -0.24 -3.40 116.94 118.75 1ucp h PHE 59 Ca -0.02 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ucp h PHE 59 Cb 0.50 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1ucp h PHE 59 CO 0.07 0.49 0.00 0.66 -2.02 0.00 0.00 178.31 177.51 1ucp n TYR 60 N -4.45 0.00 -3.82 0.41 4.02 -0.26 -4.83 117.16 108.23 1ucp n TYR 60 Ca 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.91 1ucp n TYR 60 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 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 -0.10 0.02 7.72 2.01 -1.13 -4.97 118.68 122.23 1ucp s LEU 61 Ca 0.00 -0.70 -0.27 0.00 0.01 0.00 0.00 54.13 53.16 1ucp s LEU 61 Cb 0.00 2.42 -0.15 0.00 0.01 0.00 0.00 46.19 48.47 1ucp s LEU 61 CO 0.00 -1.21 1.18 -0.33 1.01 0.00 0.00 176.35 177.00 1ucp h GLU 62 N 2.00 -0.95 0.51 1.70 3.07 -1.92 0.61 114.58 119.60 1ucp h GLU 62 Ca -0.26 0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.64 1ucp h GLU 62 Cb 1.24 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1ucp h GLU 62 CO 0.32 -0.63 -0.24 1.15 -1.40 0.00 0.00 179.01 178.20 1ucp h THR 63 N -1.19 0.50 -0.14 1.13 2.02 -1.98 -0.76 112.91 112.48 1ucp h THR 63 Ca -0.10 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1ucp h THR 63 Cb 0.75 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1ucp h THR 63 CO 0.17 0.02 0.09 0.22 0.37 0.00 0.00 175.52 176.39 1ucp h TYR 64 N -0.74 0.09 0.10 3.16 5.03 -1.96 -0.08 116.97 122.58 1ucp h TYR 64 Ca -0.07 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.24 1ucp h TYR 64 Cb 0.55 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1ucp h TYR 64 CO -0.03 0.06 -0.05 0.78 -1.32 0.00 0.00 178.16 177.60 1ucp h GLY 65 N 0.10 -0.14 1.44 1.82 0.00 -0.21 0.24 103.07 106.32 1ucp h GLY 65 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1ucp h GLY 65 CO -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 176.54 176.50 1ucp h ALA 66 N 0.44 1.23 0.41 3.60 0.00 -0.70 -0.27 119.26 123.97 1ucp h ALA 66 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ucp h ALA 66 Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ucp h ALA 66 CO 0.02 0.52 -0.20 1.49 0.00 0.00 0.00 179.25 181.08 1ucp h GLU 67 N 0.66 -0.53 -0.33 0.00 4.22 -0.94 -1.88 114.58 115.78 1ucp h GLU 67 Ca 0.14 0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.69 1ucp h GLU 67 Cb 0.38 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 1ucp h GLU 67 CO 0.01 -0.26 -0.28 1.25 -2.18 0.00 0.00 179.01 177.56 1ucp h LEU 68 N -0.75 -0.92 0.25 1.64 6.46 -0.36 0.14 115.31 121.77 1ucp h LEU 68 Ca -0.06 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1ucp h LEU 68 Cb 0.52 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1ucp h LEU 68 CO 0.09 -0.30 -0.26 0.74 -0.62 0.00 0.00 178.44 178.09 1ucp h THR 69 N -0.25 0.44 -0.07 1.05 2.02 -1.04 -0.40 112.91 114.66 1ucp h THR 69 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1ucp h THR 69 Cb 0.50 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1ucp h THR 69 CO -0.47 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.48 1ucp h ALA 70 N 0.10 1.93 0.04 6.16 0.00 -0.86 -1.24 119.26 125.38 1ucp h ALA 70 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ucp h ALA 70 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ucp h ALA 70 CO -0.06 -0.10 -0.02 -0.97 0.00 0.00 0.00 179.25 178.10 1ucp h ASN 71 N 0.00 -0.04 -0.21 0.00 -0.73 0.83 0.11 115.58 115.54 1ucp h ASN 71 Ca 0.04 -0.50 -0.01 0.00 1.87 0.00 0.00 56.30 57.70 1ucp h ASN 71 Cb 0.16 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1ucp h ASN 71 CO -0.00 0.49 0.09 0.58 -0.37 0.00 0.00 177.43 178.22 1ucp h VAL 72 N -0.59 1.16 -0.10 2.57 2.07 -1.00 -1.04 116.25 119.32 1ucp h VAL 72 Ca -0.01 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1ucp h VAL 72 Cb 0.54 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1ucp h VAL 72 CO 0.01 0.16 -0.09 -0.07 0.02 0.00 0.00 177.57 177.59 1ucp h LEU 73 N 0.19 -0.29 -1.17 2.57 3.38 -1.23 -0.35 115.31 118.42 1ucp h LEU 73 Ca 0.07 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1ucp h LEU 73 Cb 0.17 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1ucp h LEU 73 CO -0.01 -0.13 0.58 -0.09 0.09 0.00 0.00 178.44 178.89 1ucp h ARG 74 N -0.11 0.92 -0.48 1.13 1.12 -0.67 -1.16 114.38 115.13 1ucp h ARG 74 Ca 0.07 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.79 1ucp h ARG 74 Cb 0.21 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1ucp h ARG 74 CO -0.17 0.61 -0.08 0.22 -3.11 0.00 0.00 179.97 177.44 1ucp h ASP 75 N 0.95 0.84 0.23 -3.80 3.58 -0.05 -1.22 116.42 116.95 1ucp h ASP 75 Ca 0.41 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1ucp h ASP 75 Cb 0.33 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1ucp h ASP 75 CO -0.17 0.96 -0.02 0.24 -2.88 0.00 0.00 179.24 177.37 1ucp h MET 76 N 0.78 0.00 0.00 0.28 2.86 0.04 -3.45 114.93 115.43 1ucp h MET 76 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ucp h MET 76 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ucp h MET 76 CO 0.04 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1ucp n GLY 77 N -0.86 1.03 3.66 8.32 0.00 -0.46 -5.09 105.19 111.79 1ucp n GLY 77 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 4.22 -0.16 0.99 0.20 -0.62 -4.89 118.68 118.42 1ucp s LEU 78 Ca 0.00 1.84 -0.05 0.00 0.69 0.00 0.00 54.13 56.61 1ucp s LEU 78 Cb 0.00 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.14 1ucp s LEU 78 CO 0.00 -0.79 -0.19 0.00 -0.29 0.00 0.00 176.35 175.08 1ucp n GLN 79 N 6.63 0.37 0.20 1.98 10.64 -1.26 -3.00 117.38 132.94 1ucp n GLN 79 Ca 0.14 0.13 -0.08 0.00 -1.83 0.00 0.00 57.00 55.37 1ucp n GLN 79 Cb 0.44 -1.18 -0.04 0.00 -0.86 0.00 0.00 30.24 28.60 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 -0.38 -0.50 -0.74 2.61 4.11 -1.99 -0.70 114.58 117.00 1ucp h GLU 80 Ca -0.40 0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.17 1ucp h GLU 80 Cb 1.44 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.75 1ucp h GLU 80 CO -0.18 -0.33 0.48 1.98 0.07 0.00 0.00 179.01 181.03 1ucp h MET 81 N -0.52 0.59 -0.70 1.06 -1.53 -1.98 0.40 114.93 112.25 1ucp h MET 81 Ca -0.05 -0.04 -0.06 0.00 -3.44 0.00 0.00 59.70 56.11 1ucp h MET 81 Cb 0.40 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.29 1ucp h MET 81 CO 0.08 0.39 0.21 0.00 0.14 0.00 0.00 176.91 177.74 1ucp h ALA 82 N 1.63 1.05 -0.02 0.39 0.00 -1.75 0.32 119.26 120.88 1ucp h ALA 82 Ca 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ucp h ALA 82 Cb 0.51 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ucp h ALA 82 CO -0.12 0.64 0.01 0.78 0.00 0.00 0.00 179.25 180.56 1ucp h GLY 83 N 1.09 0.03 2.00 0.00 0.00 0.58 -1.95 103.07 104.81 1ucp h GLY 83 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1ucp h GLY 83 CO -0.01 0.02 -0.15 1.46 0.00 0.00 0.00 176.54 177.87 1ucp h GLN 84 N -0.14 0.00 -0.02 4.80 7.50 -0.80 -1.30 115.11 125.16 1ucp h GLN 84 Ca 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ucp h GLN 84 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.71 1ucp h GLN 84 CO -0.00 0.15 -0.00 1.25 -1.50 0.00 0.00 178.83 178.72 1ucp h LEU 85 N 0.00 0.03 0.59 1.46 5.85 0.04 0.34 115.31 123.62 1ucp h LEU 85 Ca -0.00 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1ucp h LEU 85 Cb 0.33 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ucp h LEU 85 CO 0.02 0.35 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.57 1ucp h GLN 86 N -0.29 -0.78 0.00 1.25 4.15 -1.25 -1.89 115.11 116.31 1ucp h GLN 86 Ca 0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1ucp h GLN 86 Cb 0.34 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1ucp h GLN 86 CO 0.00 -0.52 0.00 0.00 -1.93 0.00 0.00 178.83 176.38 1ucp h ALA 87 N -0.39 1.00 0.00 3.38 0.00 -1.16 0.01 119.26 122.10 1ucp h ALA 87 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ucp h ALA 87 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ucp h ALA 87 CO 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.37 1ucp h ALA 88 N 2.16 -0.01 -0.26 0.00 0.00 -0.17 -3.20 119.26 117.78 1ucp h ALA 88 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 88 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1ucp h ALA 88 CO 0.00 -0.01 -0.30 1.15 0.00 0.00 0.00 179.25 180.10 1ucp h THR 89 N -0.84 0.30 -3.57 0.00 2.02 -0.99 -2.84 112.91 106.99 1ucp h THR 89 Ca -0.00 0.00 -0.80 0.00 0.77 0.00 0.00 66.41 66.38 1ucp h THR 89 Cb 0.00 0.30 -0.27 0.00 -1.74 0.00 0.00 68.15 66.44 1ucp h THR 89 CO 0.00 0.00 0.42 -2.28 0.37 0.00 0.00 175.52 174.03 1ucp s HIS 90 N -6.02 4.17 -2.00 3.16 5.04 -0.04 -4.63 115.29 114.97 1ucp s HIS 90 Ca -0.15 -2.57 0.12 0.00 -1.54 0.00 0.00 55.06 50.92 1ucp s HIS 90 Cb 0.12 -3.85 0.71 0.00 0.04 0.00 0.00 32.58 29.60 1ucp s HIS 90 CO 0.67 -0.97 1.15 0.94 -2.34 0.00 0.00 174.74 174.19