#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 2.30 0.34 3.03 0.00 -1.26 -4.58 105.19 105.02 1ucp n GLY 2 Ca 0.00 -2.00 0.18 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.04 1.61 2.47 -1.87 -1.88 114.38 114.66 1ucp h ARG 3 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1ucp h ARG 3 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1ucp h ARG 3 CO 0.00 0.00 -0.32 0.00 0.56 0.00 0.00 179.97 180.21 1ucp h ALA 4 N 1.59 -0.43 -0.20 0.04 0.00 -1.83 0.34 119.26 118.78 1ucp h ALA 4 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ucp h ALA 4 Cb 0.46 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ucp h ALA 4 CO -0.00 -0.82 0.12 0.00 0.00 0.00 0.00 179.25 178.55 1ucp h ARG 5 N -0.44 0.27 -0.76 0.00 3.08 -1.59 -0.90 114.38 114.04 1ucp h ARG 5 Ca 0.07 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1ucp h ARG 5 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1ucp h ARG 5 CO -0.29 0.24 0.32 -0.44 -1.07 0.00 0.00 179.97 178.73 1ucp h ASP 6 N 0.23 1.02 -0.09 7.04 3.32 -1.45 -0.62 116.42 125.89 1ucp h ASP 6 Ca 0.07 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.81 1ucp h ASP 6 Cb 0.04 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.33 1ucp h ASP 6 CO -0.01 0.90 -0.59 0.00 -1.72 0.00 0.00 179.24 177.82 1ucp h ALA 7 N 1.25 0.19 -0.09 3.45 0.00 -0.09 0.18 119.26 124.16 1ucp h ALA 7 Ca 0.26 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ucp h ALA 7 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ucp h ALA 7 CO -0.03 0.43 0.05 0.82 0.00 0.00 0.00 179.25 180.53 1ucp h ILE 8 N 0.16 1.07 -0.46 0.00 2.04 -1.02 -0.52 117.51 118.78 1ucp h ILE 8 Ca -0.05 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1ucp h ILE 8 Cb 1.24 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1ucp h ILE 8 CO 0.12 0.06 0.29 0.25 0.00 0.00 0.00 178.15 178.87 1ucp h LEU 9 N 0.06 0.48 -0.19 1.44 7.12 -1.06 -0.30 115.31 122.86 1ucp h LEU 9 Ca 0.03 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.09 1ucp h LEU 9 Cb 0.06 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.03 1ucp h LEU 9 CO -0.01 0.34 -0.14 0.44 -0.13 0.00 0.00 178.44 178.94 1ucp h ASP 10 N 0.58 -0.46 0.37 1.25 3.32 -0.48 -1.31 116.42 119.69 1ucp h ASP 10 Ca 0.18 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1ucp h ASP 10 Cb -0.02 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1ucp h ASP 10 CO -0.07 -0.18 -0.28 0.00 -1.72 0.00 0.00 179.24 176.99 1ucp h ALA 11 N 0.97 -0.64 -0.46 3.45 0.00 -0.57 -0.61 119.26 121.39 1ucp h ALA 11 Ca 0.11 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 11 Cb 0.31 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1ucp h ALA 11 CO -0.28 -0.88 0.16 -0.07 0.00 0.00 0.00 179.25 178.18 1ucp h LEU 12 N -0.64 0.16 -0.57 0.00 4.07 -0.84 -0.58 115.31 116.91 1ucp h LEU 12 Ca -0.03 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1ucp h LEU 12 Cb 0.56 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 1ucp h LEU 12 CO -0.00 0.12 0.26 -0.33 -1.08 0.00 0.00 178.44 177.41 1ucp h GLU 13 N 0.33 0.83 0.00 1.13 4.39 -1.14 -2.23 114.58 117.89 1ucp h GLU 13 Ca 0.22 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ucp h GLU 13 Cb 0.23 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ucp h GLU 13 CO -0.23 0.68 0.00 0.09 -1.16 0.00 0.00 179.01 178.39 1ucp n ASN 14 N -4.54 0.64 -4.23 1.42 3.02 -0.25 -4.71 115.26 106.61 1ucp n ASN 14 Ca 0.03 0.72 -0.28 0.00 -0.03 0.00 0.00 54.58 55.02 1ucp n ASN 14 Cb 0.13 -0.83 0.17 0.00 -0.61 0.00 0.00 39.78 38.64 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 -4.55 2.80 0.41 3.41 1.43 -0.34 -5.06 118.68 116.79 1ucp s LEU 15 Ca 0.01 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1ucp s LEU 15 Cb 0.08 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1ucp s LEU 15 CO 0.30 -2.55 0.04 0.42 0.23 0.00 0.00 176.35 174.79 1ucp s THR 16 N -3.69 1.40 0.53 5.49 -4.23 -1.26 -4.96 115.64 108.91 1ucp s THR 16 Ca 0.73 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1ucp s THR 16 Cb -0.03 -2.65 0.29 0.00 1.34 0.00 0.00 72.50 71.44 1ucp s THR 16 CO 0.51 0.00 2.16 0.00 -0.54 0.00 0.00 174.62 176.74 1ucp h ALA 17 N 1.75 1.77 0.08 3.99 0.00 -1.97 0.28 119.26 125.16 1ucp h ALA 17 Ca -0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ucp h ALA 17 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ucp h ALA 17 CO 0.73 0.04 -0.04 1.49 0.00 0.00 0.00 179.25 181.47 1ucp h GLU 18 N 0.00 -0.11 -0.56 0.00 4.57 -1.99 -0.91 114.58 115.59 1ucp h GLU 18 Ca -0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ucp h GLU 18 Cb 0.06 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1ucp h GLU 18 CO 0.00 0.39 0.34 0.93 -1.18 0.00 0.00 179.01 179.49 1ucp h GLU 19 N -0.67 0.76 -0.70 1.92 4.39 -1.84 -0.79 114.58 117.65 1ucp h GLU 19 Ca -0.01 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ucp h GLU 19 Cb 0.54 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1ucp h GLU 19 CO 0.02 0.54 0.36 -0.07 -1.16 0.00 0.00 179.01 178.70 1ucp h LEU 20 N 0.75 0.88 0.14 1.33 3.38 -0.51 0.23 115.31 121.51 1ucp h LEU 20 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ucp h LEU 20 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1ucp h LEU 20 CO -0.04 0.72 -0.07 0.50 0.09 0.00 0.00 178.44 179.65 1ucp h LYS 21 N 0.98 -0.18 -0.99 1.13 3.64 -0.52 0.76 116.57 121.39 1ucp h LYS 21 Ca 0.25 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 1ucp h LYS 21 Cb 0.06 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1ucp h LYS 21 CO -0.04 -0.10 0.65 0.87 -2.27 0.00 0.00 179.45 178.56 1ucp h LYS 22 N -0.21 1.14 0.29 1.90 1.79 -0.59 -1.17 116.57 119.73 1ucp h LYS 22 Ca -0.02 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1ucp h LYS 22 Cb 0.17 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1ucp h LYS 22 CO 0.03 0.76 -0.14 0.35 -1.08 0.00 0.00 179.45 179.37 1ucp h PHE 23 N 1.18 -0.36 -0.73 -1.35 3.57 -0.22 0.20 116.94 119.23 1ucp h PHE 23 Ca 0.42 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.07 1ucp h PHE 23 Cb 0.14 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1ucp h PHE 23 CO -0.00 -0.15 0.49 0.87 -2.23 0.00 0.00 178.31 177.29 1ucp h LYS 24 N -0.50 0.32 0.06 1.11 1.57 -0.33 0.23 116.57 119.03 1ucp h LYS 24 Ca -0.04 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1ucp h LYS 24 Cb 0.38 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1ucp h LYS 24 CO 0.07 0.21 -0.39 -0.07 -0.57 0.00 0.00 179.45 178.70 1ucp h LEU 25 N 0.33 0.20 -2.05 2.94 3.38 -1.06 -3.36 115.31 115.69 1ucp h LEU 25 Ca 0.36 -0.97 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1ucp h LEU 25 Cb 0.92 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ucp h LEU 25 CO -0.10 1.18 -0.07 0.11 0.09 0.00 0.00 178.44 179.66 1ucp h LYS 26 N -0.73 0.00 0.00 1.13 1.79 0.58 -0.08 116.57 119.27 1ucp h LYS 26 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1ucp h LYS 26 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1ucp h LYS 26 CO 0.06 0.07 0.00 1.28 -1.08 0.00 0.00 179.45 179.78 1ucp n LEU 27 N -3.40 0.00 -0.84 2.94 4.77 0.71 -1.37 117.00 119.81 1ucp n LEU 27 Ca -0.02 0.47 0.04 0.00 -0.03 0.00 0.00 56.01 56.47 1ucp n LEU 27 Cb 0.22 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1ucp n LEU 27 CO 0.27 -0.31 0.24 -0.11 -1.33 0.00 0.00 177.39 176.15 1ucp n LEU 28 N -1.47 1.19 -0.13 2.23 0.00 -0.07 -4.80 117.00 113.95 1ucp n LEU 28 Ca 0.03 -2.19 -0.09 0.00 0.00 0.00 0.00 56.01 53.75 1ucp n LEU 28 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 43.42 43.36 1ucp n LEU 28 CO 0.09 0.62 0.91 -1.28 0.00 0.00 0.00 177.39 177.72 1ucp h SER 29 N 0.56 0.53 -4.33 1.96 0.87 -0.88 -3.45 113.55 108.82 1ucp h SER 29 Ca -0.09 -0.18 -0.39 0.00 -1.23 0.00 0.00 61.79 59.91 1ucp h SER 29 Cb 1.47 -0.14 -0.25 0.00 -0.44 0.00 0.00 62.40 63.04 1ucp h SER 29 CO 0.04 0.57 -0.77 0.54 -0.53 0.00 0.00 176.83 176.67 1ucp s VAL 30 N -5.51 0.85 0.24 2.23 0.11 -1.26 -5.09 120.40 111.98 1ucp s VAL 30 Ca -0.13 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.77 1ucp s VAL 30 Cb 0.10 -0.79 -0.10 0.00 -1.53 0.00 0.00 36.38 34.06 1ucp s VAL 30 CO 0.75 -0.04 1.49 -2.16 -3.33 0.00 0.00 175.10 171.81 1ucp s PRO 31 N -0.99 4.23 0.92 1.54 0.04 -1.26 -5.00 135.00 134.48 1ucp s PRO 31 Ca -0.01 2.36 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1ucp s PRO 31 Cb -0.07 -3.10 0.20 0.00 0.04 0.00 0.00 34.50 31.57 1ucp s PRO 31 CO 0.01 -0.49 1.25 -1.17 0.04 0.00 0.00 177.00 176.64 1ucp s LEU 32 N -0.13 2.81 1.01 -3.56 2.96 -1.26 -5.06 118.68 115.45 1ucp s LEU 32 Ca 0.62 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.37 1ucp s LEU 32 Cb -0.43 -2.03 0.20 0.00 0.50 0.00 0.00 46.19 44.42 1ucp s LEU 32 CO 0.42 -2.61 1.15 -0.13 -1.32 0.00 0.00 176.35 173.86 1ucp s ARG 33 N -5.72 0.30 0.49 1.98 0.52 -1.26 -4.99 118.95 110.26 1ucp s ARG 33 Ca 0.74 0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 55.95 1ucp s ARG 33 Cb -0.03 -1.76 -0.06 0.00 0.52 0.00 0.00 34.95 33.62 1ucp s ARG 33 CO 0.51 -2.73 0.88 -2.00 0.02 0.00 0.00 175.30 171.97 1ucp s GLU 34 N -5.36 3.75 0.00 3.54 2.56 -1.26 -3.61 118.70 118.32 1ucp s GLU 34 Ca 0.68 0.60 0.00 0.00 0.00 0.00 0.00 54.97 56.25 1ucp s GLU 34 Cb -0.12 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.74 1ucp s GLU 34 CO 0.55 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.43 1ucp n GLY 35 N -1.80 0.26 3.37 -1.50 0.00 -1.26 -4.95 105.19 99.31 1ucp n GLY 35 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.56 1.66 0.08 1.61 1.51 -1.24 -5.18 117.35 114.24 1ucp s TYR 36 Ca 0.00 -1.35 0.01 0.00 -1.01 0.00 0.00 57.07 54.72 1ucp s TYR 36 Cb 0.00 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1ucp s TYR 36 CO 0.00 -0.48 0.08 0.41 -1.11 0.00 0.00 175.55 174.45 1ucp n GLY 37 N -0.65 3.60 2.93 0.71 0.00 -1.26 -4.89 105.19 105.63 1ucp n GLY 37 Ca 0.00 -1.66 -0.12 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 -2.30 0.19 -0.22 1.61 0.52 -1.26 -4.84 118.95 112.66 1ucp s ARG 38 Ca 0.09 -0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 54.83 1ucp s ARG 38 Cb 0.00 -0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.38 1ucp s ARG 38 CO 0.06 0.02 0.83 0.42 0.02 0.00 0.00 175.30 176.65 1ucp s ILE 39 N -0.43 4.85 0.76 1.52 1.01 -1.26 -5.03 121.20 122.62 1ucp s ILE 39 Ca -0.04 1.58 -0.11 0.00 0.00 0.00 0.00 60.65 62.09 1ucp s ILE 39 Cb -0.03 -4.12 0.05 0.00 0.01 0.00 0.00 42.46 38.37 1ucp s ILE 39 CO -0.00 -0.04 1.09 -2.16 0.00 0.00 0.00 174.94 173.83 1ucp s PRO 40 N 2.63 2.32 0.27 2.79 0.04 -1.26 -4.82 135.00 136.97 1ucp s PRO 40 Ca 0.36 1.16 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 1ucp s PRO 40 Cb -0.16 -1.90 0.33 0.00 0.04 0.00 0.00 34.50 32.81 1ucp s PRO 40 CO 0.09 -1.59 1.93 -0.09 0.04 0.00 0.00 177.00 177.38 1ucp h ARG 41 N -1.06 1.21 -0.61 4.56 2.43 -1.96 -1.77 114.38 117.18 1ucp h ARG 41 Ca -0.44 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 1ucp h ARG 41 Cb 1.23 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1ucp h ARG 41 CO 0.52 0.82 0.21 0.78 -1.51 0.00 0.00 179.97 180.79 1ucp h GLY 42 N 1.24 1.01 1.00 2.80 0.00 -1.95 0.18 103.07 107.35 1ucp h GLY 42 Ca 0.33 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1ucp h GLY 42 CO -0.07 0.55 -0.18 0.00 0.00 0.00 0.00 176.54 176.84 1ucp h ALA 43 N 1.07 -0.50 -0.89 3.60 0.00 -1.83 -1.47 119.26 119.24 1ucp h ALA 43 Ca 0.20 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1ucp h ALA 43 Cb 0.26 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1ucp h ALA 43 CO -0.01 -0.78 0.58 -0.07 0.00 0.00 0.00 179.25 178.96 1ucp h LEU 44 N -0.50 0.79 -0.75 0.00 3.38 -0.98 -0.63 115.31 116.62 1ucp h LEU 44 Ca -0.05 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1ucp h LEU 44 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ucp h LEU 44 CO 0.08 0.46 -0.45 -0.07 0.09 0.00 0.00 178.44 178.55 1ucp h LEU 45 N 0.87 0.42 -0.48 1.67 3.38 -0.41 -3.03 115.31 117.73 1ucp h LEU 45 Ca 0.42 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1ucp h LEU 45 Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1ucp h LEU 45 CO -0.18 0.82 -0.67 0.77 0.09 0.00 0.00 178.44 179.27 1ucp h SER 46 N 0.32 0.00 -4.47 -0.43 4.64 -0.09 -3.47 113.55 110.05 1ucp h SER 46 Ca 0.02 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.86 1ucp h SER 46 Cb 0.92 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.10 1ucp h SER 46 CO 0.08 0.67 0.40 -0.04 -0.87 0.00 0.00 176.83 177.06 1ucp s MET 47 N -3.26 2.54 0.06 4.77 -1.94 -0.38 -5.11 119.30 115.98 1ucp s MET 47 Ca 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 1ucp s MET 47 Cb 0.11 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.96 1ucp s MET 47 CO 0.76 -1.25 0.00 -0.40 -0.01 0.00 0.00 175.02 174.12 1ucp n ASP 48 N -3.14 2.06 -0.07 3.03 5.68 -1.26 -4.96 116.55 117.89 1ucp n ASP 48 Ca 0.07 -1.25 -0.11 0.00 -0.50 0.00 0.00 54.79 53.01 1ucp n ASP 48 Cb 0.58 0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.30 -0.21 2.12 0.00 -1.98 0.46 119.26 120.96 1ucp h ALA 49 Ca -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ucp h ALA 49 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ucp h ALA 49 CO 0.08 -0.08 -0.13 1.25 0.00 0.00 0.00 179.25 180.37 1ucp h LEU 50 N 0.21 0.48 -0.37 0.00 6.46 -1.97 0.32 115.31 120.43 1ucp h LEU 50 Ca 0.08 -0.43 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1ucp h LEU 50 Cb 0.22 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 1ucp h LEU 50 CO -0.00 0.81 0.10 0.44 -0.62 0.00 0.00 178.44 179.17 1ucp h ASP 51 N 0.16 0.06 -0.06 1.25 3.32 -1.96 -1.27 116.42 117.92 1ucp h ASP 51 Ca 0.04 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1ucp h ASP 51 Cb 0.64 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1ucp h ASP 51 CO 0.04 0.07 -0.08 0.25 -1.72 0.00 0.00 179.24 177.80 1ucp h LEU 52 N 0.23 -0.23 0.18 1.55 5.85 -0.74 0.82 115.31 122.97 1ucp h LEU 52 Ca 0.18 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1ucp h LEU 52 Cb 0.19 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1ucp h LEU 52 CO -0.21 -0.11 -0.32 0.74 -0.34 0.00 0.00 178.44 178.20 1ucp h THR 53 N -0.10 0.32 -0.78 1.05 2.02 -0.03 0.40 112.91 115.79 1ucp h THR 53 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1ucp h THR 53 Cb 0.18 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1ucp h THR 53 CO -0.12 0.00 0.42 0.44 0.37 0.00 0.00 175.52 176.62 1ucp h ASP 54 N -0.58 0.99 0.40 4.18 5.19 -1.25 -1.70 116.42 123.64 1ucp h ASP 54 Ca 0.02 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1ucp h ASP 54 Cb 0.58 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1ucp h ASP 54 CO -0.15 0.81 -0.19 0.50 -3.12 0.00 0.00 179.24 177.09 1ucp h LYS 55 N 1.09 -0.51 -0.60 3.56 3.64 -0.21 -1.81 116.57 121.72 1ucp h LYS 55 Ca 0.27 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.81 1ucp h LYS 55 Cb 0.05 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 31.89 1ucp h LYS 55 CO -0.04 -0.34 -0.04 1.25 -2.27 0.00 0.00 179.45 178.01 1ucp h LEU 56 N -0.61 -0.34 0.22 5.20 7.12 -0.26 0.37 115.31 127.01 1ucp h LEU 56 Ca -0.05 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1ucp h LEU 56 Cb 0.41 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1ucp h LEU 56 CO 0.09 -0.13 -0.11 0.58 -0.13 0.00 0.00 178.44 178.74 1ucp h VAL 57 N 0.08 0.83 -0.56 1.05 2.07 -1.37 -1.86 116.25 116.50 1ucp h VAL 57 Ca 0.31 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ucp h VAL 57 Cb 0.49 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1ucp h VAL 57 CO -0.54 0.08 0.27 -1.28 0.02 0.00 0.00 177.57 176.11 1ucp h SER 58 N -0.47 0.73 0.54 0.57 0.87 -0.54 -2.04 113.55 113.21 1ucp h SER 58 Ca -0.03 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1ucp h SER 58 Cb 0.36 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1ucp h SER 58 CO 0.05 0.66 -0.03 0.15 -0.53 0.00 0.00 176.83 177.13 1ucp h PHE 59 N 0.75 0.00 0.00 2.24 3.04 -0.25 -3.41 116.94 119.32 1ucp h PHE 59 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1ucp h PHE 59 Cb 0.12 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1ucp h PHE 59 CO -0.00 0.03 0.00 0.66 -2.02 0.00 0.00 178.31 176.98 1ucp n TYR 60 N -3.22 0.00 -3.85 0.41 4.01 -0.71 -4.82 117.16 108.98 1ucp n TYR 60 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 1ucp n TYR 60 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.01 7.72 2.01 -0.79 -5.00 118.68 122.52 1ucp s LEU 61 Ca 0.00 -0.63 -0.24 0.00 0.01 0.00 0.00 54.13 53.27 1ucp s LEU 61 Cb 0.00 2.43 -0.13 0.00 0.01 0.00 0.00 46.19 48.50 1ucp s LEU 61 CO 0.00 -1.24 1.05 -0.33 1.01 0.00 0.00 176.35 176.84 1ucp h GLU 62 N 2.08 -0.83 0.05 1.70 5.08 -1.92 -0.52 114.58 120.22 1ucp h GLU 62 Ca -0.23 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1ucp h GLU 62 Cb 1.25 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1ucp h GLU 62 CO 0.28 -0.56 -0.02 1.15 -1.00 0.00 0.00 179.01 178.86 1ucp h THR 63 N -1.15 0.99 -0.35 1.13 2.02 -1.95 -1.19 112.91 112.41 1ucp h THR 63 Ca -0.09 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1ucp h THR 63 Cb 0.66 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1ucp h THR 63 CO 0.15 0.03 0.14 0.22 0.37 0.00 0.00 175.52 176.42 1ucp h TYR 64 N -0.12 0.48 -0.37 3.16 5.03 -1.97 -2.23 116.97 120.95 1ucp h TYR 64 Ca -0.01 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1ucp h TYR 64 Cb 0.10 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 1ucp h TYR 64 CO -0.06 0.39 0.24 0.78 -1.32 0.00 0.00 178.16 178.19 1ucp h GLY 65 N 0.65 0.52 1.05 1.82 0.00 0.11 0.24 103.07 107.45 1ucp h GLY 65 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1ucp h GLY 65 CO -0.01 0.19 0.06 0.00 0.00 0.00 0.00 176.54 176.77 1ucp h ALA 66 N 1.14 0.80 -0.66 3.60 0.00 -1.08 -0.48 119.26 122.57 1ucp h ALA 66 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ucp h ALA 66 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1ucp h ALA 66 CO -0.03 0.58 0.42 1.49 0.00 0.00 0.00 179.25 181.71 1ucp h GLU 67 N 0.91 0.89 0.32 0.00 4.57 -0.95 0.26 114.58 120.58 1ucp h GLU 67 Ca 0.18 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1ucp h GLU 67 Cb 0.48 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1ucp h GLU 67 CO 0.02 0.61 -0.15 1.25 -1.18 0.00 0.00 179.01 179.56 1ucp h LEU 68 N 0.90 -0.36 -0.08 1.64 6.46 -0.37 -0.77 115.31 122.73 1ucp h LEU 68 Ca 0.24 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1ucp h LEU 68 Cb -0.06 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 1ucp h LEU 68 CO -0.05 -0.23 -0.12 0.74 -0.62 0.00 0.00 178.44 178.16 1ucp h THR 69 N -0.46 0.69 -0.67 1.05 2.02 -0.69 -0.40 112.91 114.45 1ucp h THR 69 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1ucp h THR 69 Cb 0.35 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1ucp h THR 69 CO 0.07 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.37 1ucp h ALA 70 N 0.87 0.89 0.34 6.16 0.00 -0.94 0.36 119.26 126.95 1ucp h ALA 70 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 70 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ucp h ALA 70 CO -0.17 0.14 -0.43 -0.97 0.00 0.00 0.00 179.25 177.82 1ucp h ASN 71 N 0.78 -1.21 -0.79 0.00 -1.24 -0.20 0.69 115.58 113.61 1ucp h ASN 71 Ca 0.28 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 1ucp h ASN 71 Cb 0.08 0.42 -0.04 0.00 0.73 0.00 0.00 38.32 39.51 1ucp h ASN 71 CO -0.13 -0.56 0.46 0.58 -1.29 0.00 0.00 177.43 176.48 1ucp h VAL 72 N -0.82 1.23 -0.32 2.57 2.07 -0.94 -0.43 116.25 119.62 1ucp h VAL 72 Ca -0.02 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ucp h VAL 72 Cb 0.75 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1ucp h VAL 72 CO -0.12 0.25 0.19 -0.07 0.02 0.00 0.00 177.57 177.84 1ucp h LEU 73 N 1.11 0.38 -1.20 2.57 3.38 -0.61 -1.26 115.31 119.69 1ucp h LEU 73 Ca 0.29 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1ucp h LEU 73 Cb -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1ucp h LEU 73 CO -0.05 0.32 0.55 -0.09 0.09 0.00 0.00 178.44 179.26 1ucp h ARG 74 N 0.41 1.04 -0.92 1.13 2.43 -0.31 0.78 114.38 118.94 1ucp h ARG 74 Ca 0.11 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1ucp h ARG 74 Cb 0.01 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.27 1ucp h ARG 74 CO -0.02 0.69 0.60 0.22 -1.51 0.00 0.00 179.97 179.95 1ucp h ASP 75 N 1.08 0.99 0.24 -3.80 3.58 -0.38 0.17 116.42 118.30 1ucp h ASP 75 Ca 0.32 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1ucp h ASP 75 Cb -0.05 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.78 1ucp h ASP 75 CO -0.08 0.67 0.00 0.23 -2.88 0.00 0.00 179.24 177.18 1ucp n MET 76 N -4.51 0.17 -0.70 0.28 2.81 -0.46 -4.83 117.12 109.88 1ucp n MET 76 Ca 0.12 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1ucp n MET 76 Cb 0.10 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.23 0.73 3.09 3.03 0.00 0.60 -4.99 105.19 107.43 1ucp n GLY 77 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1ucp n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ucp n LEU 78 N 0.00 6.13 0.04 0.99 0.00 0.14 -4.82 117.00 119.48 1ucp n LEU 78 Ca 0.00 -4.69 -0.13 0.00 0.00 0.00 0.00 56.01 51.19 1ucp n LEU 78 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 43.42 41.91 1ucp n LEU 78 CO 0.00 1.22 0.27 0.06 0.00 0.00 0.00 177.39 178.95 1ucp h GLN 79 N 6.17 0.51 -0.06 1.96 3.07 -1.86 -3.16 115.11 121.74 1ucp h GLN 79 Ca 0.33 -0.45 -0.13 0.00 0.09 0.00 0.00 58.65 58.49 1ucp h GLN 79 Cb 0.71 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.37 1ucp h GLN 79 CO 1.44 1.09 -0.57 1.05 0.09 0.00 0.00 178.83 181.93 1ucp h GLU 80 N 0.33 0.17 -0.15 0.06 9.09 -1.97 -1.28 114.58 120.83 1ucp h GLU 80 Ca -0.05 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 59.21 1ucp h GLU 80 Cb 1.42 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.53 1ucp h GLU 80 CO 0.15 0.70 -0.04 1.98 0.05 0.00 0.00 179.01 181.85 1ucp h MET 81 N 0.13 0.30 -0.97 1.06 4.05 -1.99 -0.74 114.93 116.78 1ucp h MET 81 Ca -0.00 -0.11 0.14 0.00 -0.28 0.00 0.00 59.70 59.44 1ucp h MET 81 Cb 1.04 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.74 1ucp h MET 81 CO 0.08 0.57 0.59 0.00 0.23 0.00 0.00 176.91 178.38 1ucp h ALA 82 N 0.71 1.48 0.65 0.39 0.00 -1.47 0.28 119.26 121.31 1ucp h ALA 82 Ca 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ucp h ALA 82 Cb 0.46 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ucp h ALA 82 CO 0.02 0.11 -0.31 0.78 0.00 0.00 0.00 179.25 179.85 1ucp h GLY 83 N 0.87 -0.91 1.68 0.00 0.00 -1.09 -1.93 103.07 101.69 1ucp h GLY 83 Ca 0.50 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 48.13 1ucp h GLY 83 CO -0.30 -0.33 0.03 1.46 0.00 0.00 0.00 176.54 177.40 1ucp h GLN 84 N -0.99 0.41 0.20 4.80 4.20 -0.69 -1.27 115.11 121.78 1ucp h GLN 84 Ca -0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1ucp h GLN 84 Cb 0.67 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1ucp h GLN 84 CO 0.15 0.41 -0.10 1.25 -0.67 0.00 0.00 178.83 179.88 1ucp h LEU 85 N 0.40 -0.23 -0.05 1.46 5.85 -0.52 0.32 115.31 122.55 1ucp h LEU 85 Ca 0.09 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1ucp h LEU 85 Cb 0.22 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ucp h LEU 85 CO 0.00 -0.11 -0.21 -0.61 -0.34 0.00 0.00 178.44 177.18 1ucp h GLN 86 N -0.33 -0.30 0.00 1.25 -0.00 -0.95 -0.85 115.11 113.93 1ucp h GLN 86 Ca -0.03 0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1ucp h GLN 86 Cb 0.25 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1ucp h GLN 86 CO 0.04 -0.20 -0.19 0.00 0.00 0.00 0.00 178.83 178.49 1ucp h ALA 87 N 0.61 1.15 -0.06 3.38 0.00 -1.05 -1.19 119.26 122.11 1ucp h ALA 87 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1ucp h ALA 87 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ucp h ALA 87 CO -0.23 0.24 -0.33 0.00 0.00 0.00 0.00 179.25 178.94 1ucp h ALA 88 N 1.81 0.12 -0.44 0.00 0.00 -0.03 -2.48 119.26 118.24 1ucp h ALA 88 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ucp h ALA 88 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ucp h ALA 88 CO 0.02 0.18 0.21 1.15 0.00 0.00 0.00 179.25 180.82 1ucp h THR 89 N -0.19 1.18 -1.65 0.00 2.02 -0.66 -3.40 112.91 110.21 1ucp h THR 89 Ca -0.02 -0.51 -0.24 0.00 0.77 0.00 0.00 66.41 66.40 1ucp h THR 89 Cb 0.99 0.71 -0.27 0.00 -1.74 0.00 0.00 68.15 67.84 1ucp h THR 89 CO 0.07 0.20 -0.58 -2.28 0.37 0.00 0.00 175.52 173.29 1ucp s HIS 90 N -5.71 -0.86 -2.00 3.16 5.65 -0.49 -4.29 115.29 110.76 1ucp s HIS 90 Ca -0.13 -0.21 0.17 0.00 0.25 0.00 0.00 55.06 55.14 1ucp s HIS 90 Cb 0.11 -0.16 1.03 0.00 -1.18 0.00 0.00 32.58 32.38 1ucp s HIS 90 CO 0.75 -1.02 1.43 0.94 -0.65 0.00 0.00 174.74 176.19