#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 -0.78 0.34 3.03 0.00 -1.26 -4.97 105.19 101.55 1ucp n GLY 2 Ca 0.00 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.70 1.61 3.08 -1.91 -1.76 114.38 114.71 1ucp h ARG 3 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 1ucp h ARG 3 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 1ucp h ARG 3 CO 0.00 0.00 -0.28 0.00 -1.07 0.00 0.00 179.97 178.62 1ucp h ALA 4 N 1.02 0.20 0.24 0.04 0.00 -1.82 0.23 119.26 119.17 1ucp h ALA 4 Ca 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ucp h ALA 4 Cb 1.03 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ucp h ALA 4 CO -0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 179.25 178.57 1ucp h ARG 5 N -0.08 -0.31 -0.69 0.00 3.08 -1.67 -1.77 114.38 112.94 1ucp h ARG 5 Ca 0.30 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.42 1ucp h ARG 5 Cb 0.56 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1ucp h ARG 5 CO -0.75 -0.03 0.45 -0.44 -1.07 0.00 0.00 179.97 178.13 1ucp h ASP 6 N -0.60 0.64 -0.09 7.04 5.19 -1.50 0.89 116.42 127.98 1ucp h ASP 6 Ca -0.03 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 1ucp h ASP 6 Cb 0.43 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1ucp h ASP 6 CO 0.05 0.42 -0.37 0.00 -3.12 0.00 0.00 179.24 176.23 1ucp h ALA 7 N 1.62 0.17 0.12 3.45 0.00 -0.51 0.12 119.26 124.23 1ucp h ALA 7 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ucp h ALA 7 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ucp h ALA 7 CO -0.09 0.26 -0.06 0.82 0.00 0.00 0.00 179.25 180.18 1ucp h ILE 8 N -0.03 0.89 -0.07 0.00 2.04 -0.80 -1.20 117.51 118.35 1ucp h ILE 8 Ca -0.02 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1ucp h ILE 8 Cb 1.01 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1ucp h ILE 8 CO 0.08 0.01 -0.20 0.25 0.00 0.00 0.00 178.15 178.29 1ucp h LEU 9 N -0.19 -0.62 -0.47 1.44 7.12 -0.79 -0.15 115.31 121.66 1ucp h LEU 9 Ca -0.02 0.10 0.03 0.00 0.13 0.00 0.00 57.88 58.12 1ucp h LEU 9 Cb 0.15 0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 1ucp h LEU 9 CO 0.03 -0.26 0.25 0.44 -0.13 0.00 0.00 178.44 178.77 1ucp h ASP 10 N -0.29 0.38 0.49 1.25 3.32 -0.74 -0.39 116.42 120.44 1ucp h ASP 10 Ca 0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1ucp h ASP 10 Cb 0.40 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1ucp h ASP 10 CO -0.24 0.27 -0.38 0.00 -1.72 0.00 0.00 179.24 177.17 1ucp h ALA 11 N 1.23 -0.89 -0.50 3.45 0.00 -0.39 -1.43 119.26 120.74 1ucp h ALA 11 Ca 0.20 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1ucp h ALA 11 Cb 0.07 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1ucp h ALA 11 CO -0.12 -1.03 0.03 -0.07 0.00 0.00 0.00 179.25 178.07 1ucp h LEU 12 N -0.86 -0.14 -0.71 0.00 -0.00 -0.86 -2.03 115.31 110.71 1ucp h LEU 12 Ca -0.05 0.11 0.07 0.00 -0.00 0.00 0.00 57.88 58.01 1ucp h LEU 12 Cb 0.73 0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 41.51 1ucp h LEU 12 CO 0.00 -0.04 0.40 -0.33 -0.00 0.00 0.00 178.44 178.47 1ucp h GLU 13 N 0.15 0.70 0.00 1.13 4.39 -0.89 -1.90 114.58 118.16 1ucp h GLU 13 Ca 0.25 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1ucp h GLU 13 Cb 0.37 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1ucp h GLU 13 CO -0.39 0.46 0.00 0.09 -1.16 0.00 0.00 179.01 178.01 1ucp n ASN 14 N -4.77 0.00 -4.85 1.42 3.02 -0.55 -4.81 115.26 104.71 1ucp n ASN 14 Ca 0.10 -0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1ucp n ASN 14 Cb 0.20 -0.27 -0.05 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 -2.54 3.87 0.65 3.41 1.43 -0.72 -5.08 118.68 119.70 1ucp s LEU 15 Ca 0.24 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1ucp s LEU 15 Cb 0.16 -4.22 0.10 0.00 0.03 0.00 0.00 46.19 42.27 1ucp s LEU 15 CO 0.37 -0.38 0.90 0.42 0.23 0.00 0.00 176.35 177.88 1ucp s THR 16 N -2.29 2.24 0.16 5.49 -4.23 -1.26 -4.84 115.64 110.91 1ucp s THR 16 Ca 0.55 -0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 1ucp s THR 16 Cb -0.10 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1ucp s THR 16 CO 0.25 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.03 1ucp h ALA 17 N -0.22 0.31 -0.14 3.99 0.00 -1.98 0.15 119.26 121.37 1ucp h ALA 17 Ca -0.35 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1ucp h ALA 17 Cb 1.28 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1ucp h ALA 17 CO 0.42 -0.40 -0.49 1.49 0.00 0.00 0.00 179.25 180.26 1ucp h GLU 18 N 0.09 0.38 0.33 0.00 4.57 -1.99 -0.07 114.58 117.89 1ucp h GLU 18 Ca 0.17 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1ucp h GLU 18 Cb 0.23 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1ucp h GLU 18 CO -0.29 0.79 -0.16 0.93 -1.18 0.00 0.00 179.01 179.11 1ucp h GLU 19 N 0.30 -0.42 -0.88 1.92 4.39 -1.82 -1.58 114.58 116.48 1ucp h GLU 19 Ca 0.01 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1ucp h GLU 19 Cb 0.98 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 1ucp h GLU 19 CO 0.08 -0.17 0.46 -0.07 -1.16 0.00 0.00 179.01 178.15 1ucp h LEU 20 N -0.63 1.13 0.19 1.33 3.38 -0.56 0.30 115.31 120.46 1ucp h LEU 20 Ca -0.05 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ucp h LEU 20 Cb 0.45 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1ucp h LEU 20 CO 0.07 0.92 -0.35 0.50 0.09 0.00 0.00 178.44 179.68 1ucp h LYS 21 N 1.25 -0.61 -0.71 1.13 3.11 -1.00 0.34 116.57 120.08 1ucp h LYS 21 Ca 0.31 0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 58.12 1ucp h LYS 21 Cb 0.07 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 1ucp h LYS 21 CO -0.04 -0.40 0.19 0.87 -2.81 0.00 0.00 179.45 177.25 1ucp h LYS 22 N -0.63 1.13 -0.04 1.90 1.57 -0.75 -1.58 116.57 118.18 1ucp h LYS 22 Ca 0.01 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1ucp h LYS 22 Cb 0.63 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1ucp h LYS 22 CO -0.16 0.99 -0.14 0.35 -0.57 0.00 0.00 179.45 179.92 1ucp h PHE 23 N 1.07 -0.35 -0.59 -1.35 3.57 -0.10 0.36 116.94 119.55 1ucp h PHE 23 Ca 0.23 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1ucp h PHE 23 Cb 0.35 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1ucp h PHE 23 CO 0.03 -0.21 0.39 0.87 -2.23 0.00 0.00 178.31 177.16 1ucp h LYS 24 N -0.21 0.73 -0.02 1.11 1.57 -0.68 0.22 116.57 119.28 1ucp h LYS 24 Ca 0.06 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1ucp h LYS 24 Cb 0.30 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1ucp h LYS 24 CO -0.16 0.48 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.53 1ucp h LEU 25 N 0.75 0.56 -1.12 2.94 3.38 -0.74 -3.33 115.31 117.75 1ucp h LEU 25 Ca 0.23 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1ucp h LEU 25 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1ucp h LEU 25 CO -0.06 1.22 0.39 0.11 0.09 0.00 0.00 178.44 180.19 1ucp h LYS 26 N -0.05 1.00 -0.51 1.13 1.79 0.50 -0.69 116.57 119.74 1ucp h LYS 26 Ca -0.07 -0.11 0.15 0.00 -2.18 0.00 0.00 60.65 58.44 1ucp h LYS 26 Cb 1.29 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 1ucp h LYS 26 CO 0.12 0.74 0.37 -0.07 -1.08 0.00 0.00 179.45 179.53 1ucp h LEU 27 N 1.00 0.00 -4.97 2.94 3.38 -0.70 -1.12 115.31 115.85 1ucp h LEU 27 Ca 0.25 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.65 1ucp h LEU 27 Cb 0.04 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.37 1ucp h LEU 27 CO -0.04 0.00 -0.74 -0.11 0.09 0.00 0.00 178.44 177.64 1ucp n LEU 28 N -4.36 4.24 0.10 1.67 0.00 -0.29 -4.66 117.00 113.71 1ucp n LEU 28 Ca 0.09 -5.34 0.00 0.00 0.00 0.00 0.00 56.01 50.76 1ucp n LEU 28 Cb 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.61 1ucp n LEU 28 CO 0.36 2.26 0.00 -0.24 0.00 0.00 0.00 177.39 179.78 1ucp n SER 29 N -0.32 -0.42 -4.62 1.96 2.88 -0.47 -4.94 113.62 107.69 1ucp n SER 29 Ca 0.33 0.36 -0.43 0.00 -1.33 0.00 0.00 58.87 57.80 1ucp n SER 29 Cb 0.55 0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 64.53 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 -1.64 3.23 -0.29 2.46 0.11 -0.89 -4.89 120.40 118.49 1ucp s VAL 30 Ca 0.00 0.25 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 1ucp s VAL 30 Cb 0.00 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 31.59 1ucp s VAL 30 CO 0.00 -0.12 1.56 -2.16 -3.33 0.00 0.00 175.10 171.05 1ucp s PRO 31 N 5.39 3.69 0.81 1.54 0.04 -1.26 -4.95 135.00 140.26 1ucp s PRO 31 Ca 0.88 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 1ucp s PRO 31 Cb -0.32 -4.04 0.11 0.00 0.04 0.00 0.00 34.50 30.29 1ucp s PRO 31 CO 0.35 -1.41 1.14 -1.17 0.04 0.00 0.00 177.00 175.95 1ucp s LEU 32 N 5.41 2.73 0.77 -3.56 0.20 -1.26 -5.05 118.68 117.90 1ucp s LEU 32 Ca 0.69 0.39 -0.11 0.00 0.69 0.00 0.00 54.13 55.79 1ucp s LEU 32 Cb -0.21 -2.79 0.05 0.00 -0.43 0.00 0.00 46.19 42.81 1ucp s LEU 32 CO 0.30 -2.03 1.08 -0.13 -0.29 0.00 0.00 176.35 175.28 1ucp s ARG 33 N -5.50 2.35 0.59 1.98 0.52 -1.26 -5.07 118.95 112.55 1ucp s ARG 33 Ca 0.65 0.88 -0.08 0.00 -0.52 0.00 0.00 55.73 56.67 1ucp s ARG 33 Cb -0.08 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 1ucp s ARG 33 CO 0.48 -1.50 0.93 -2.00 0.02 0.00 0.00 175.30 173.24 1ucp s GLU 34 N -5.04 3.22 0.00 3.54 2.12 -1.26 -3.91 118.70 117.37 1ucp s GLU 34 Ca 0.60 0.30 0.00 0.00 0.36 0.00 0.00 54.97 56.23 1ucp s GLU 34 Cb -0.15 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.03 1ucp s GLU 34 CO 0.55 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1ucp n GLY 35 N -2.61 1.35 3.26 -1.50 0.00 -1.26 -4.96 105.19 99.47 1ucp n GLY 35 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.74 1.40 0.13 1.61 2.02 -1.25 -5.18 117.35 112.33 1ucp s TYR 36 Ca 0.00 -1.48 0.01 0.00 -0.37 0.00 0.00 57.07 55.23 1ucp s TYR 36 Cb 0.00 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1ucp s TYR 36 CO 0.00 -0.77 0.09 0.41 -1.57 0.00 0.00 175.55 173.71 1ucp n GLY 37 N -0.44 3.01 2.73 0.71 0.00 -1.26 -4.92 105.19 105.02 1ucp n GLY 37 Ca 0.04 -2.20 -0.17 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.53 -0.05 -0.15 1.61 0.52 -1.26 -4.86 118.95 112.23 1ucp s ARG 38 Ca 0.07 0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 55.29 1ucp s ARG 38 Cb -0.01 -0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.10 1ucp s ARG 38 CO 0.05 -0.23 0.86 0.42 0.02 0.00 0.00 175.30 176.41 1ucp s ILE 39 N 1.52 4.87 0.61 1.52 1.01 -1.26 -5.04 121.20 124.43 1ucp s ILE 39 Ca -0.03 1.71 -0.13 0.00 0.00 0.00 0.00 60.65 62.20 1ucp s ILE 39 Cb -0.13 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1ucp s ILE 39 CO -0.03 0.03 1.03 -2.16 0.00 0.00 0.00 174.94 173.81 1ucp s PRO 40 N 2.05 3.48 0.41 2.79 0.04 -1.26 -4.51 135.00 138.00 1ucp s PRO 40 Ca 0.40 0.92 0.15 0.00 0.04 0.00 0.00 61.00 62.51 1ucp s PRO 40 Cb -0.17 -2.06 0.87 0.00 0.04 0.00 0.00 34.50 33.18 1ucp s PRO 40 CO 0.14 -0.66 1.90 -0.09 0.04 0.00 0.00 177.00 178.32 1ucp h ARG 41 N -0.01 0.00 -0.05 4.56 1.12 -1.94 -2.00 114.38 116.06 1ucp h ARG 41 Ca -0.45 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.42 1ucp h ARG 41 Cb 1.20 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.16 1ucp h ARG 41 CO 0.60 0.29 0.01 0.78 -3.11 0.00 0.00 179.97 178.54 1ucp h GLY 42 N 0.95 0.08 0.43 2.80 0.00 -1.94 -0.61 103.07 104.78 1ucp h GLY 42 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1ucp h GLY 42 CO 0.04 0.04 -0.17 0.00 0.00 0.00 0.00 176.54 176.45 1ucp h ALA 43 N 0.82 -0.10 -0.58 3.60 0.00 -1.92 -1.86 119.26 119.22 1ucp h ALA 43 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ucp h ALA 43 Cb 0.21 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1ucp h ALA 43 CO -0.00 -0.62 0.30 -0.07 0.00 0.00 0.00 179.25 178.86 1ucp h LEU 44 N -0.21 0.43 -0.99 0.00 3.38 -1.17 -0.09 115.31 116.65 1ucp h LEU 44 Ca 0.10 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1ucp h LEU 44 Cb 0.35 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1ucp h LEU 44 CO -0.25 0.29 0.38 -0.07 0.09 0.00 0.00 178.44 178.88 1ucp h LEU 45 N 0.57 0.99 -1.44 1.67 -0.00 -0.80 -2.21 115.31 114.09 1ucp h LEU 45 Ca 0.26 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.98 1ucp h LEU 45 Cb 0.17 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 1ucp h LEU 45 CO -0.18 0.83 -0.24 0.77 -0.00 0.00 0.00 178.44 179.62 1ucp h SER 46 N 1.09 0.00 -3.69 -0.43 4.64 -0.39 -3.44 113.55 111.33 1ucp h SER 46 Ca 0.27 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.09 1ucp h SER 46 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1ucp h SER 46 CO -0.04 0.24 0.11 -0.04 -0.87 0.00 0.00 176.83 176.23 1ucp s MET 47 N -4.00 4.08 0.00 4.77 -1.94 -0.17 -5.09 119.30 116.95 1ucp s MET 47 Ca -0.02 0.74 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 1ucp s MET 47 Cb 0.13 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.42 1ucp s MET 47 CO 0.65 0.21 0.00 -0.40 -0.01 0.00 0.00 175.02 175.47 1ucp n ASP 48 N -0.08 0.22 -0.11 3.03 5.75 -1.26 -4.85 116.55 119.24 1ucp n ASP 48 Ca 0.02 -0.45 -0.09 0.00 -0.01 0.00 0.00 54.79 54.26 1ucp n ASP 48 Cb 0.53 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 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 -0.19 0.44 -0.01 2.12 0.00 -1.93 -0.14 119.26 119.55 1ucp h ALA 49 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 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 -0.01 -0.02 1.25 0.00 0.00 0.00 179.25 180.47 1ucp h LEU 50 N 0.41 0.04 -0.87 0.00 6.46 -1.96 -0.15 115.31 119.24 1ucp h LEU 50 Ca 0.12 -0.57 0.11 0.00 -0.12 0.00 0.00 57.88 57.42 1ucp h LEU 50 Cb 0.11 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.95 1ucp h LEU 50 CO -0.02 0.60 0.50 0.44 -0.62 0.00 0.00 178.44 179.35 1ucp h ASP 51 N -0.52 0.70 0.88 1.25 3.32 -1.94 -0.90 116.42 119.21 1ucp h ASP 51 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1ucp h ASP 51 Cb 0.60 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.08 1ucp h ASP 51 CO 0.01 0.38 -0.42 0.25 -1.72 0.00 0.00 179.24 177.73 1ucp h LEU 52 N 0.80 -1.00 -0.64 1.55 5.85 -0.92 -0.82 115.31 120.14 1ucp h LEU 52 Ca 0.43 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.31 1ucp h LEU 52 Cb 0.45 0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.62 1ucp h LEU 52 CO -0.27 -0.70 -0.26 0.74 -0.34 0.00 0.00 178.44 177.61 1ucp h THR 53 N -1.21 0.23 -0.10 1.05 2.02 -0.14 0.42 112.91 115.18 1ucp h THR 53 Ca -0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1ucp h THR 53 Cb 0.91 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1ucp h THR 53 CO 0.20 0.00 0.05 0.44 0.37 0.00 0.00 175.52 176.58 1ucp h ASP 54 N -0.09 0.13 0.28 4.18 3.32 -1.25 -1.51 116.42 121.48 1ucp h ASP 54 Ca 0.28 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1ucp h ASP 54 Cb 0.53 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ucp h ASP 54 CO -0.70 0.19 -0.22 0.50 -1.72 0.00 0.00 179.24 177.30 1ucp h LYS 55 N 0.05 -0.46 -0.82 3.56 1.63 0.42 -1.93 116.57 119.01 1ucp h LYS 55 Ca 0.03 0.03 0.15 0.00 -0.85 0.00 0.00 60.65 60.02 1ucp h LYS 55 Cb 0.10 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 31.74 1ucp h LYS 55 CO -0.00 -0.31 0.39 1.25 -3.45 0.00 0.00 179.45 177.32 1ucp h LEU 56 N -0.48 0.43 -0.05 5.20 7.12 -0.31 0.33 115.31 127.54 1ucp h LEU 56 Ca -0.04 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.06 1ucp h LEU 56 Cb 0.40 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1ucp h LEU 56 CO 0.01 0.16 -0.04 0.58 -0.13 0.00 0.00 178.44 179.02 1ucp h VAL 57 N 0.54 1.35 -0.22 1.05 2.07 -1.27 -2.54 116.25 117.23 1ucp h VAL 57 Ca 0.46 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 1ucp h VAL 57 Cb 0.69 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1ucp h VAL 57 CO -0.39 0.30 -0.34 -1.28 0.02 0.00 0.00 177.57 175.87 1ucp h SER 58 N -0.29 0.47 1.10 0.57 0.87 -0.51 -1.80 113.55 113.97 1ucp h SER 58 Ca 0.01 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1ucp h SER 58 Cb 0.50 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1ucp h SER 58 CO 0.01 0.79 -0.02 0.15 -0.53 0.00 0.00 176.83 177.23 1ucp h PHE 59 N 0.39 0.00 0.00 2.24 3.04 -0.40 -3.42 116.94 118.79 1ucp h PHE 59 Ca 0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1ucp h PHE 59 Cb 0.79 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1ucp h PHE 59 CO 0.03 0.02 0.00 0.66 -2.02 0.00 0.00 178.31 177.00 1ucp n TYR 60 N -3.12 0.00 -3.89 0.41 4.01 -0.96 -4.60 117.16 109.01 1ucp n TYR 60 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1ucp n TYR 60 Cb 0.34 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.13 0.05 7.72 2.01 -0.69 -4.97 118.68 122.66 1ucp s LEU 61 Ca 0.00 -0.68 -0.28 0.00 0.01 0.00 0.00 54.13 53.17 1ucp s LEU 61 Cb 0.00 2.53 -0.17 0.00 0.01 0.00 0.00 46.19 48.56 1ucp s LEU 61 CO 0.00 -1.31 1.47 -0.33 1.01 0.00 0.00 176.35 177.18 1ucp h GLU 62 N 2.05 -0.58 -0.03 1.70 3.07 -1.92 0.28 114.58 119.15 1ucp h GLU 62 Ca -0.21 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1ucp h GLU 62 Cb 1.25 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1ucp h GLU 62 CO 0.26 -0.32 -0.03 1.15 -1.40 0.00 0.00 179.01 178.67 1ucp h THR 63 N -0.75 1.39 -0.71 1.13 2.02 -1.98 -1.75 112.91 112.26 1ucp h THR 63 Ca -0.06 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 1ucp h THR 63 Cb 0.53 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 1ucp h THR 63 CO 0.10 0.32 0.40 0.22 0.37 0.00 0.00 175.52 176.93 1ucp h TYR 64 N -0.39 0.96 -0.04 3.16 5.03 -1.96 -0.53 116.97 123.19 1ucp h TYR 64 Ca 0.00 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1ucp h TYR 64 Cb 0.54 -0.31 -0.00 0.00 1.55 0.00 0.00 36.73 38.51 1ucp h TYR 64 CO 0.10 0.66 0.02 0.78 -1.32 0.00 0.00 178.16 178.40 1ucp h GLY 65 N 1.03 0.06 1.74 1.82 0.00 -0.79 0.17 103.07 107.10 1ucp h GLY 65 Ca 0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 1ucp h GLY 65 CO -0.04 0.02 -0.31 0.00 0.00 0.00 0.00 176.54 176.21 1ucp h ALA 66 N 0.97 1.20 -0.19 3.60 0.00 -1.03 -0.48 119.26 123.32 1ucp h ALA 66 Ca 0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1ucp h ALA 66 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ucp h ALA 66 CO -0.00 0.53 -0.03 1.49 0.00 0.00 0.00 179.25 181.23 1ucp h GLU 67 N 0.26 0.37 -0.06 0.00 4.81 -0.77 -1.28 114.58 117.90 1ucp h GLU 67 Ca 0.04 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1ucp h GLU 67 Cb 0.68 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 1ucp h GLU 67 CO 0.05 0.61 -0.22 1.25 -0.73 0.00 0.00 179.01 179.97 1ucp h LEU 68 N 0.09 -0.66 0.06 1.64 6.46 -0.54 0.36 115.31 122.71 1ucp h LEU 68 Ca 0.05 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1ucp h LEU 68 Cb 0.47 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 1ucp h LEU 68 CO 0.02 -0.28 -0.28 0.74 -0.62 0.00 0.00 178.44 178.01 1ucp h THR 69 N -0.32 0.37 -0.49 1.05 2.02 -0.96 0.19 112.91 114.78 1ucp h THR 69 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1ucp h THR 69 Cb 0.43 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1ucp h THR 69 CO -0.24 0.00 0.33 0.00 0.37 0.00 0.00 175.52 175.97 1ucp h ALA 70 N 0.28 1.81 0.29 6.16 0.00 -0.95 -1.08 119.26 125.76 1ucp h ALA 70 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ucp h ALA 70 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ucp h ALA 70 CO -0.21 0.13 -0.14 -0.97 0.00 0.00 0.00 179.25 178.06 1ucp h ASN 71 N 0.52 -0.32 -0.52 0.00 -1.24 0.47 0.67 115.58 115.16 1ucp h ASN 71 Ca 0.20 -0.20 0.07 0.00 0.71 0.00 0.00 56.30 57.09 1ucp h ASN 71 Cb 0.16 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 1ucp h ASN 71 CO -0.05 0.06 0.19 0.58 -1.29 0.00 0.00 177.43 176.91 1ucp h VAL 72 N -0.76 0.82 -0.21 2.57 2.07 -0.85 0.20 116.25 120.10 1ucp h VAL 72 Ca -0.04 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1ucp h VAL 72 Cb 0.50 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1ucp h VAL 72 CO 0.06 0.07 0.01 -0.07 0.02 0.00 0.00 177.57 177.66 1ucp h LEU 73 N 0.36 -0.07 -2.02 2.57 3.38 -1.18 -0.99 115.31 117.36 1ucp h LEU 73 Ca 0.25 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1ucp h LEU 73 Cb 0.27 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ucp h LEU 73 CO -0.25 -0.01 -0.05 -0.09 0.09 0.00 0.00 178.44 178.13 1ucp h ARG 74 N 0.07 0.00 -0.43 1.13 2.43 -0.00 -1.17 114.38 116.41 1ucp h ARG 74 Ca 0.10 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1ucp h ARG 74 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1ucp h ARG 74 CO -0.16 0.05 -0.22 0.22 -1.51 0.00 0.00 179.97 178.35 1ucp h ASP 75 N 0.00 0.95 0.15 -3.80 3.58 0.61 -2.60 116.42 115.30 1ucp h ASP 75 Ca -0.00 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 1ucp h ASP 75 Cb 0.09 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1ucp h ASP 75 CO 0.01 1.14 -0.03 0.24 -2.88 0.00 0.00 179.24 177.72 1ucp h MET 76 N 0.75 0.00 0.00 0.28 2.86 -0.10 -3.46 114.93 115.26 1ucp h MET 76 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1ucp h MET 76 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1ucp h MET 76 CO 0.07 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.48 1ucp n GLY 77 N -1.01 0.69 3.69 8.32 0.00 -0.83 -5.09 105.19 110.96 1ucp n GLY 77 Ca -0.02 0.00 -0.42 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 4.31 0.00 0.99 0.20 -0.80 -4.91 118.68 118.47 1ucp s LEU 78 Ca 0.00 1.94 0.00 0.00 0.69 0.00 0.00 54.13 56.76 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 -0.60 0.00 0.00 -0.29 0.00 0.00 176.35 175.46 1ucp n GLN 79 N 4.98 1.46 0.21 1.98 10.64 -1.26 -2.89 117.38 132.49 1ucp n GLN 79 Ca 0.11 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.20 1ucp n GLN 79 Cb 0.45 -0.96 -0.04 0.00 -0.86 0.00 0.00 30.24 28.83 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 -0.51 -0.88 2.61 9.09 -1.99 -0.87 114.58 122.02 1ucp h GLU 80 Ca 0.00 0.03 0.08 0.00 0.05 0.00 0.00 59.36 59.53 1ucp h GLU 80 Cb 0.93 0.12 -0.06 0.00 -1.65 0.00 0.00 28.75 28.08 1ucp h GLU 80 CO 0.00 -0.34 0.57 1.98 0.05 0.00 0.00 179.01 181.27 1ucp h MET 81 N -0.58 0.89 -0.60 1.06 1.85 -1.98 -1.06 114.93 114.52 1ucp h MET 81 Ca -0.05 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.02 1ucp h MET 81 Cb 0.40 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 1ucp h MET 81 CO 0.09 0.59 0.35 0.00 -0.40 0.00 0.00 176.91 177.54 1ucp h ALA 82 N 1.55 0.78 -0.19 0.39 0.00 -1.77 0.31 119.26 120.32 1ucp h ALA 82 Ca 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ucp h ALA 82 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ucp h ALA 82 CO -0.16 0.06 0.06 0.78 0.00 0.00 0.00 179.25 179.99 1ucp h GLY 83 N 0.68 0.33 1.34 0.00 0.00 -0.30 -1.86 103.07 103.26 1ucp h GLY 83 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1ucp h GLY 83 CO -0.12 0.18 0.01 1.46 0.00 0.00 0.00 176.54 178.07 1ucp h GLN 84 N 0.14 0.81 0.04 4.80 4.20 -0.76 -1.35 115.11 122.99 1ucp h GLN 84 Ca 0.06 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1ucp h GLN 84 Cb 0.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ucp h GLN 84 CO -0.00 0.81 -0.02 1.25 -0.67 0.00 0.00 178.83 180.20 1ucp h LEU 85 N 0.76 -0.04 -0.31 1.46 5.85 -0.33 0.19 115.31 122.89 1ucp h LEU 85 Ca 0.15 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ucp h LEU 85 Cb 0.45 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ucp h LEU 85 CO 0.02 0.07 0.14 -0.61 -0.34 0.00 0.00 178.44 177.73 1ucp h GLN 86 N -0.16 0.29 -0.60 1.25 5.75 -1.23 -1.20 115.11 119.22 1ucp h GLN 86 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1ucp h GLN 86 Cb 0.14 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1ucp h GLN 86 CO 0.01 0.19 0.34 0.00 -2.65 0.00 0.00 178.83 176.72 1ucp h ALA 87 N 1.17 0.77 0.00 3.38 0.00 -0.82 0.21 119.26 123.97 1ucp h ALA 87 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ucp h ALA 87 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ucp h ALA 87 CO -0.10 0.27 -0.45 0.00 0.00 0.00 0.00 179.25 178.97 1ucp h ALA 88 N 1.16 1.23 0.00 0.00 0.00 -0.50 -2.95 119.26 118.21 1ucp h ALA 88 Ca 0.21 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1ucp h ALA 88 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ucp h ALA 88 CO -0.04 0.57 -1.01 1.15 0.00 0.00 0.00 179.25 179.92 1ucp h THR 89 N 0.00 1.41 -1.62 0.00 2.02 -0.60 -3.41 112.91 110.70 1ucp h THR 89 Ca -0.00 -3.06 0.09 0.00 0.77 0.00 0.00 66.41 64.21 1ucp h THR 89 Cb 0.81 2.69 -0.21 0.00 -1.74 0.00 0.00 68.15 69.70 1ucp h THR 89 CO 0.06 0.80 -0.14 -2.28 0.37 0.00 0.00 175.52 174.33 1ucp s HIS 90 N -2.75 -1.36 0.00 3.16 5.04 0.70 -4.63 115.29 115.44 1ucp s HIS 90 Ca 0.01 2.06 0.00 0.00 -1.54 0.00 0.00 55.06 55.59 1ucp s HIS 90 Cb 0.09 0.71 0.00 0.00 0.04 0.00 0.00 32.58 33.42 1ucp s HIS 90 CO 0.81 -0.70 0.04 0.94 -2.34 0.00 0.00 174.74 173.49