#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 3.11 0.32 3.03 0.00 -1.26 -3.42 105.19 106.97 1ucp n GLY 2 Ca 0.00 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 0.09 0.16 1.61 3.08 -1.87 -0.18 114.38 117.27 1ucp h ARG 3 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ucp h ARG 3 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1ucp h ARG 3 CO 0.00 0.06 -0.24 0.00 -1.07 0.00 0.00 179.97 178.73 1ucp h ALA 4 N 1.90 -0.43 -0.32 0.04 0.00 -1.76 0.62 119.26 119.31 1ucp h ALA 4 Ca 0.63 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.42 1ucp h ALA 4 Cb 1.39 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1ucp h ALA 4 CO -0.78 -0.78 -0.08 0.00 0.00 0.00 0.00 179.25 177.61 1ucp h ARG 5 N -0.46 0.61 -0.81 0.00 3.08 -1.30 -1.99 114.38 113.51 1ucp h ARG 5 Ca 0.02 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1ucp h ARG 5 Cb 0.46 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1ucp h ARG 5 CO -0.10 0.80 0.44 -0.44 -1.07 0.00 0.00 179.97 179.59 1ucp h ASP 6 N 0.39 1.01 0.10 7.04 3.32 -0.87 0.92 116.42 128.33 1ucp h ASP 6 Ca 0.08 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ucp h ASP 6 Cb 0.57 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1ucp h ASP 6 CO 0.03 0.82 -0.05 0.00 -1.72 0.00 0.00 179.24 178.32 1ucp h ALA 7 N 1.35 -0.14 -0.60 3.45 0.00 -0.82 0.11 119.26 122.60 1ucp h ALA 7 Ca 0.29 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ucp h ALA 7 Cb 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1ucp h ALA 7 CO -0.05 -0.44 0.38 0.82 0.00 0.00 0.00 179.25 179.97 1ucp h ILE 8 N -0.43 1.10 -0.19 0.00 2.04 -1.00 -1.32 117.51 117.71 1ucp h ILE 8 Ca -0.01 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1ucp h ILE 8 Cb 0.35 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1ucp h ILE 8 CO 0.02 0.14 -0.00 0.25 0.00 0.00 0.00 178.15 178.56 1ucp h LEU 9 N 0.76 -0.08 -0.26 1.44 7.12 -0.80 -1.26 115.31 122.22 1ucp h LEU 9 Ca 0.24 0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.35 1ucp h LEU 9 Cb -0.02 0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 40.13 1ucp h LEU 9 CO -0.08 -0.01 -0.11 0.44 -0.13 0.00 0.00 178.44 178.55 1ucp h ASP 10 N 0.06 -0.37 0.11 1.25 3.32 -0.38 -1.21 116.42 119.19 1ucp h ASP 10 Ca 0.09 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1ucp h ASP 10 Cb 0.11 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ucp h ASP 10 CO -0.15 -0.14 -0.05 0.00 -1.72 0.00 0.00 179.24 177.18 1ucp h ALA 11 N 1.17 -0.14 -0.41 3.45 0.00 -0.94 -1.21 119.26 121.19 1ucp h ALA 11 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ucp h ALA 11 Cb 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ucp h ALA 11 CO -0.31 -0.54 0.25 -0.07 0.00 0.00 0.00 179.25 178.58 1ucp h LEU 12 N -0.21 0.48 -0.69 0.00 4.07 -0.89 -1.63 115.31 116.44 1ucp h LEU 12 Ca -0.01 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 57.94 1ucp h LEU 12 Cb 0.17 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.74 1ucp h LEU 12 CO 0.02 0.38 0.42 -0.33 -1.08 0.00 0.00 178.44 177.85 1ucp h GLU 13 N 0.54 0.78 0.00 1.13 4.39 -1.19 -1.33 114.58 118.91 1ucp h GLU 13 Ca 0.15 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ucp h GLU 13 Cb -0.02 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1ucp h GLU 13 CO -0.03 0.52 0.00 0.09 -1.16 0.00 0.00 179.01 178.43 1ucp n ASN 14 N -4.70 0.60 -4.91 1.42 3.02 -0.46 -4.73 115.26 105.49 1ucp n ASN 14 Ca 0.08 0.69 -0.27 0.00 -0.03 0.00 0.00 54.58 55.04 1ucp n ASN 14 Cb 0.11 -0.80 0.08 0.00 -0.61 0.00 0.00 39.78 38.56 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 -4.40 2.70 0.43 3.41 1.43 -0.50 -5.07 118.68 116.67 1ucp s LEU 15 Ca 0.02 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.76 1ucp s LEU 15 Cb 0.08 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 1ucp s LEU 15 CO 0.32 -1.72 0.12 0.42 0.23 0.00 0.00 176.35 175.71 1ucp s THR 16 N -3.38 2.05 0.50 5.49 -4.23 -1.26 -4.93 115.64 109.88 1ucp s THR 16 Ca 0.61 -1.81 0.17 0.00 -1.18 0.00 0.00 61.69 59.48 1ucp s THR 16 Cb -0.11 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.18 1ucp s THR 16 CO 0.46 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.62 1ucp h ALA 17 N 1.49 2.09 -0.07 3.99 0.00 -1.97 0.31 119.26 125.10 1ucp h ALA 17 Ca -0.43 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 1ucp h ALA 17 Cb 1.26 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ucp h ALA 17 CO 0.73 -0.15 -0.69 1.49 0.00 0.00 0.00 179.25 180.63 1ucp h GLU 18 N 0.13 0.59 -0.43 0.00 4.57 -1.99 -0.93 114.58 116.51 1ucp h GLU 18 Ca 0.12 -0.54 -0.09 0.00 -1.18 0.00 0.00 59.36 57.66 1ucp h GLU 18 Cb 0.32 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1ucp h GLU 18 CO -0.02 1.16 -0.10 0.93 -1.18 0.00 0.00 179.01 179.81 1ucp h GLU 19 N 0.20 0.83 -0.53 1.92 4.39 -1.65 -1.73 114.58 118.01 1ucp h GLU 19 Ca -0.07 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 1ucp h GLU 19 Cb 1.35 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 1ucp h GLU 19 CO 0.14 0.94 0.17 -0.07 -1.16 0.00 0.00 179.01 179.03 1ucp h LEU 20 N 0.66 0.73 0.15 1.33 3.38 -0.49 0.21 115.31 121.27 1ucp h LEU 20 Ca 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ucp h LEU 20 Cb 0.63 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ucp h LEU 20 CO 0.04 0.69 -0.16 0.50 0.09 0.00 0.00 178.44 179.60 1ucp h LYS 21 N 0.77 -0.33 -0.68 1.13 3.64 -0.74 0.13 116.57 120.49 1ucp h LYS 21 Ca 0.18 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1ucp h LYS 21 Cb 0.22 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1ucp h LYS 21 CO -0.01 -0.22 0.45 0.87 -2.27 0.00 0.00 179.45 178.27 1ucp h LYS 22 N -0.34 0.89 0.35 1.90 1.79 -0.85 -1.24 116.57 119.07 1ucp h LYS 22 Ca 0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1ucp h LYS 22 Cb 0.32 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1ucp h LYS 22 CO -0.05 0.59 -0.17 0.35 -1.08 0.00 0.00 179.45 179.10 1ucp h PHE 23 N 0.92 -0.43 -0.76 -1.35 3.57 -0.27 0.18 116.94 118.79 1ucp h PHE 23 Ca 0.25 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.84 1ucp h PHE 23 Cb -0.10 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1ucp h PHE 23 CO -0.03 -0.25 0.50 0.87 -2.23 0.00 0.00 178.31 177.17 1ucp h LYS 24 N -0.49 0.61 0.07 1.11 1.57 -0.54 0.26 116.57 119.16 1ucp h LYS 24 Ca -0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ucp h LYS 24 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ucp h LYS 24 CO 0.08 0.40 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.25 1ucp h LEU 25 N 0.62 -0.08 -0.71 2.94 3.38 -0.95 -3.33 115.31 117.18 1ucp h LEU 25 Ca 0.35 -0.53 0.13 0.00 0.09 0.00 0.00 57.88 57.93 1ucp h LEU 25 Cb 0.54 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 1ucp h LEU 25 CO -0.13 0.58 0.24 0.11 0.09 0.00 0.00 178.44 179.33 1ucp h LYS 26 N -0.84 0.36 -1.03 1.13 1.79 0.06 0.12 116.57 118.16 1ucp h LYS 26 Ca -0.01 -0.02 0.30 0.00 -2.18 0.00 0.00 60.65 58.74 1ucp h LYS 26 Cb 0.61 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 1ucp h LYS 26 CO 0.02 0.24 0.78 -0.07 -1.08 0.00 0.00 179.45 179.34 1ucp h LEU 27 N 0.38 0.00 -2.71 2.94 3.38 -0.64 -1.58 115.31 117.08 1ucp h LEU 27 Ca 0.38 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 1ucp h LEU 27 Cb 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1ucp h LEU 27 CO -0.41 0.00 -0.54 -0.11 0.09 0.00 0.00 178.44 177.47 1ucp n LEU 28 N -4.10 1.38 -0.06 1.67 -0.00 0.05 -4.70 117.00 111.24 1ucp n LEU 28 Ca 0.22 -2.36 -0.09 0.00 -0.00 0.00 0.00 56.01 53.78 1ucp n LEU 28 Cb 1.13 -0.21 -0.03 0.00 -0.00 0.00 0.00 43.42 44.31 1ucp n LEU 28 CO 0.38 0.67 -0.60 -0.24 -0.00 0.00 0.00 177.39 177.60 1ucp n SER 29 N -0.42 1.67 -4.74 1.96 2.88 0.21 -4.95 113.62 110.22 1ucp n SER 29 Ca 0.09 0.27 -0.42 0.00 -1.33 0.00 0.00 58.87 57.49 1ucp n SER 29 Cb 0.81 -0.62 -0.02 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.61 2.55 0.98 2.46 0.11 -0.94 -5.02 120.40 117.92 1ucp s VAL 30 Ca -0.22 0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 59.14 1ucp s VAL 30 Cb 0.04 -3.29 0.18 0.00 -1.53 0.00 0.00 36.38 31.78 1ucp s VAL 30 CO 0.32 0.06 1.15 -2.16 -3.33 0.00 0.00 175.10 171.14 1ucp s PRO 31 N -0.06 0.61 0.25 1.54 0.04 -1.26 -4.91 135.00 131.19 1ucp s PRO 31 Ca 0.62 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.84 1ucp s PRO 31 Cb -0.43 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1ucp s PRO 31 CO 0.41 -2.53 0.06 -1.17 0.04 0.00 0.00 177.00 173.81 1ucp s LEU 32 N -6.21 1.87 0.86 -3.56 2.96 -1.26 -5.10 118.68 108.25 1ucp s LEU 32 Ca 0.66 -1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 1ucp s LEU 32 Cb -0.13 -0.09 0.11 0.00 0.50 0.00 0.00 46.19 46.59 1ucp s LEU 32 CO 0.54 -0.65 1.12 -0.13 -1.32 0.00 0.00 176.35 175.91 1ucp s ARG 33 N -3.97 1.53 0.58 1.98 0.52 -1.26 -5.05 118.95 113.28 1ucp s ARG 33 Ca 0.34 0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 55.93 1ucp s ARG 33 Cb 0.07 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 1ucp s ARG 33 CO 0.11 -1.97 0.93 -2.00 0.02 0.00 0.00 175.30 172.39 1ucp s GLU 34 N -5.20 3.35 0.00 3.54 2.56 -1.26 -3.70 118.70 117.99 1ucp s GLU 34 Ca 0.62 0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.97 1ucp s GLU 34 Cb -0.15 -2.21 0.00 0.00 2.00 0.00 0.00 34.13 33.77 1ucp s GLU 34 CO 0.54 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 175.12 1ucp n GLY 35 N -2.58 0.74 3.43 -1.50 0.00 -1.26 -5.00 105.19 99.01 1ucp n GLY 35 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.15 2.48 0.89 1.61 2.02 -1.24 -5.10 117.35 114.85 1ucp s TYR 36 Ca 0.00 -0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 56.25 1ucp s TYR 36 Cb 0.00 -1.43 0.20 0.00 -0.40 0.00 0.00 41.96 40.34 1ucp s TYR 36 CO 0.00 0.23 1.21 0.41 -1.57 0.00 0.00 175.55 175.83 1ucp n GLY 37 N 1.54 -1.43 2.72 0.71 0.00 -1.26 -4.91 105.19 102.56 1ucp n GLY 37 Ca -0.16 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 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 -5.63 0.64 -0.40 1.61 1.81 -1.26 -5.00 118.95 110.72 1ucp s ARG 38 Ca 0.68 -0.58 -0.26 0.00 -1.72 0.00 0.00 55.73 53.85 1ucp s ARG 38 Cb -0.02 -2.01 0.02 0.00 -0.45 0.00 0.00 34.95 32.49 1ucp s ARG 38 CO 0.48 -0.75 0.97 0.42 -0.68 0.00 0.00 175.30 175.74 1ucp s ILE 39 N 1.82 4.49 0.82 1.52 1.01 -1.26 -5.02 121.20 124.58 1ucp s ILE 39 Ca 0.02 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.70 1ucp s ILE 39 Cb -0.17 -4.41 0.08 0.00 0.01 0.00 0.00 42.46 37.98 1ucp s ILE 39 CO -0.14 -0.67 1.09 -2.16 0.00 0.00 0.00 174.94 173.05 1ucp s PRO 40 N 3.71 1.87 0.34 2.79 0.04 -1.26 -4.74 135.00 137.74 1ucp s PRO 40 Ca 0.40 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.52 1ucp s PRO 40 Cb -0.11 -1.86 0.60 0.00 0.04 0.00 0.00 34.50 33.17 1ucp s PRO 40 CO 0.22 -1.88 1.88 -0.09 0.04 0.00 0.00 177.00 177.17 1ucp h ARG 41 N -1.29 0.53 -0.31 4.56 2.43 -1.93 -0.97 114.38 117.41 1ucp h ARG 41 Ca -0.46 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1ucp h ARG 41 Cb 1.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1ucp h ARG 41 CO 0.53 0.56 0.18 0.78 -1.51 0.00 0.00 179.97 180.50 1ucp h GLY 42 N 0.83 0.44 0.93 2.80 0.00 -1.95 0.41 103.07 106.54 1ucp h GLY 42 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1ucp h GLY 42 CO 0.01 0.18 0.10 0.00 0.00 0.00 0.00 176.54 176.84 1ucp h ALA 43 N 1.07 0.24 -1.00 3.60 0.00 -1.82 -1.71 119.26 119.64 1ucp h ALA 43 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1ucp h ALA 43 Cb 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1ucp h ALA 43 CO -0.02 -0.31 0.65 -0.07 0.00 0.00 0.00 179.25 179.50 1ucp h LEU 44 N 0.22 1.02 -0.46 0.00 3.38 -0.74 -0.92 115.31 117.82 1ucp h LEU 44 Ca 0.08 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1ucp h LEU 44 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ucp h LEU 44 CO -0.05 0.65 -0.08 -0.07 0.09 0.00 0.00 178.44 178.97 1ucp h LEU 45 N 1.16 0.87 -1.39 1.67 -0.00 -0.61 -2.96 115.31 114.04 1ucp h LEU 45 Ca 0.44 -0.35 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1ucp h LEU 45 Cb 0.20 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 1ucp h LEU 45 CO -0.18 1.02 0.34 0.77 -0.00 0.00 0.00 178.44 180.39 1ucp h SER 46 N 0.72 0.66 -4.34 -0.43 4.64 -0.50 -3.43 113.55 110.87 1ucp h SER 46 Ca 0.12 -0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 60.90 1ucp h SER 46 Cb 0.62 -0.17 0.09 0.00 -0.31 0.00 0.00 62.40 62.64 1ucp h SER 46 CO 0.04 0.50 0.37 -0.04 -0.87 0.00 0.00 176.83 176.84 1ucp s MET 47 N -5.60 2.90 0.00 4.77 -1.94 -0.43 -5.10 119.30 113.91 1ucp s MET 47 Ca -0.09 0.87 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 1ucp s MET 47 Cb 0.17 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 35.02 1ucp s MET 47 CO 0.76 -1.10 0.00 -0.40 -0.01 0.00 0.00 175.02 174.27 1ucp n ASP 48 N -3.12 1.40 0.02 3.03 5.68 -1.26 -4.89 116.55 117.41 1ucp n ASP 48 Ca 0.07 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.24 1ucp n ASP 48 Cb 0.54 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.97 -0.02 -0.10 2.12 0.00 -1.96 0.11 119.26 120.39 1ucp h ALA 49 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ucp h ALA 49 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ucp h ALA 49 CO 0.00 -0.40 -0.08 1.25 0.00 0.00 0.00 179.25 180.02 1ucp h LEU 50 N -0.24 0.25 -0.78 0.00 6.46 -1.97 -0.25 115.31 118.79 1ucp h LEU 50 Ca -0.00 -0.46 0.08 0.00 -0.12 0.00 0.00 57.88 57.38 1ucp h LEU 50 Cb 0.23 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.03 1ucp h LEU 50 CO 0.00 0.65 0.44 0.44 -0.62 0.00 0.00 178.44 179.36 1ucp h ASP 51 N -0.15 0.65 0.73 1.25 3.32 -1.95 -0.35 116.42 119.91 1ucp h ASP 51 Ca 0.02 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ucp h ASP 51 Cb 0.57 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ucp h ASP 51 CO 0.02 0.39 -0.46 0.25 -1.72 0.00 0.00 179.24 177.72 1ucp h LEU 52 N 0.77 -1.17 -0.39 1.55 5.85 -0.62 0.85 115.31 122.15 1ucp h LEU 52 Ca 0.36 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.22 1ucp h LEU 52 Cb 0.29 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 1ucp h LEU 52 CO -0.22 -0.71 -0.42 0.74 -0.34 0.00 0.00 178.44 177.49 1ucp h THR 53 N -1.12 0.12 -0.38 1.05 2.02 -0.35 0.37 112.91 114.62 1ucp h THR 53 Ca -0.10 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 1ucp h THR 53 Cb 0.91 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1ucp h THR 53 CO 0.09 0.00 -0.20 0.44 0.37 0.00 0.00 175.52 176.22 1ucp h ASP 54 N -0.33 0.73 0.83 4.18 3.32 -1.09 -0.19 116.42 123.88 1ucp h ASP 54 Ca 0.14 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1ucp h ASP 54 Cb 0.58 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ucp h ASP 54 CO -0.56 0.93 -0.40 0.50 -1.72 0.00 0.00 179.24 177.98 1ucp h LYS 55 N 0.64 -1.08 -0.38 3.56 1.63 0.15 -1.83 116.57 119.26 1ucp h LYS 55 Ca 0.09 0.07 0.08 0.00 -0.85 0.00 0.00 60.65 60.05 1ucp h LYS 55 Cb 0.69 0.25 -0.08 0.00 -0.60 0.00 0.00 32.23 32.49 1ucp h LYS 55 CO 0.05 -0.72 -0.13 1.25 -3.45 0.00 0.00 179.45 176.45 1ucp h LEU 56 N -1.21 -0.46 -0.52 5.20 7.12 -0.26 0.35 115.31 125.52 1ucp h LEU 56 Ca -0.11 0.13 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 1ucp h LEU 56 Cb 0.86 0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 41.25 1ucp h LEU 56 CO 0.19 -0.16 0.15 0.58 -0.13 0.00 0.00 178.44 179.07 1ucp h VAL 57 N -0.05 1.24 -0.04 1.05 2.07 -1.09 -1.40 116.25 118.03 1ucp h VAL 57 Ca 0.19 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1ucp h VAL 57 Cb 0.33 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1ucp h VAL 57 CO -0.42 0.30 -0.57 -1.28 0.02 0.00 0.00 177.57 175.62 1ucp h SER 58 N 0.72 0.56 1.40 0.57 0.87 -0.42 -2.85 113.55 114.40 1ucp h SER 58 Ca 0.17 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1ucp h SER 58 Cb 0.30 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ucp h SER 58 CO -0.00 1.20 0.00 0.15 -0.53 0.00 0.00 176.83 177.64 1ucp h PHE 59 N -0.02 0.00 0.00 2.24 3.57 -0.37 -3.41 116.94 118.94 1ucp h PHE 59 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ucp h PHE 59 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1ucp h PHE 59 CO 0.13 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.87 1ucp n TYR 60 N -2.88 0.00 -3.84 0.41 4.01 -0.53 -4.30 117.16 110.03 1ucp n TYR 60 Ca 0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.70 1ucp n TYR 60 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.20 0.01 7.72 2.01 -1.08 -4.98 118.68 122.17 1ucp s LEU 61 Ca 0.00 -0.69 -0.18 0.00 0.01 0.00 0.00 54.13 53.28 1ucp s LEU 61 Cb 0.00 2.69 -0.10 0.00 0.01 0.00 0.00 46.19 48.79 1ucp s LEU 61 CO 0.00 -1.36 0.96 -0.33 1.01 0.00 0.00 176.35 176.63 1ucp h GLU 62 N 2.00 -0.61 -0.32 1.70 5.08 -1.89 0.33 114.58 120.86 1ucp h GLU 62 Ca -0.22 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1ucp h GLU 62 Cb 1.25 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1ucp h GLU 62 CO 0.27 -0.41 -0.13 1.15 -1.00 0.00 0.00 179.01 178.89 1ucp h THR 63 N -0.83 1.29 0.00 1.13 2.02 -1.98 -1.29 112.91 113.24 1ucp h THR 63 Ca -0.06 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1ucp h THR 63 Cb 0.48 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1ucp h THR 63 CO 0.11 0.40 -0.16 0.22 0.37 0.00 0.00 175.52 176.45 1ucp h TYR 64 N 0.43 0.00 -0.09 3.16 3.20 -1.96 -0.21 116.97 121.50 1ucp h TYR 64 Ca 0.08 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ucp h TYR 64 Cb 0.65 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1ucp h TYR 64 CO 0.06 0.16 0.04 0.78 -1.64 0.00 0.00 178.16 177.56 1ucp h GLY 65 N 0.64 0.13 0.96 1.82 0.00 -0.11 0.20 103.07 106.71 1ucp h GLY 65 Ca -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1ucp h GLY 65 CO 0.02 0.06 0.13 0.00 0.00 0.00 0.00 176.54 176.75 1ucp h ALA 66 N 0.94 0.60 0.07 3.60 0.00 -0.63 0.29 119.26 124.13 1ucp h ALA 66 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ucp h ALA 66 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ucp h ALA 66 CO -0.00 0.26 -0.11 1.49 0.00 0.00 0.00 179.25 180.89 1ucp h GLU 67 N 0.60 -0.22 -0.01 0.00 4.81 -0.94 -0.02 114.58 118.81 1ucp h GLU 67 Ca 0.15 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1ucp h GLU 67 Cb 0.28 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1ucp h GLU 67 CO -0.00 -0.15 -0.31 1.25 -0.73 0.00 0.00 179.01 179.07 1ucp h LEU 68 N -0.23 -0.93 0.16 1.64 6.46 -0.51 0.12 115.31 122.02 1ucp h LEU 68 Ca 0.02 0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1ucp h LEU 68 Cb 0.24 0.38 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1ucp h LEU 68 CO -0.06 -0.37 -0.31 0.74 -0.62 0.00 0.00 178.44 177.82 1ucp h THR 69 N -0.46 0.34 -0.37 1.05 2.02 -0.55 0.18 112.91 115.12 1ucp h THR 69 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1ucp h THR 69 Cb 0.55 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1ucp h THR 69 CO -0.26 0.00 0.25 0.00 0.37 0.00 0.00 175.52 175.87 1ucp h ALA 70 N 0.09 1.78 0.20 6.16 0.00 -0.84 0.21 119.26 126.86 1ucp h ALA 70 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ucp h ALA 70 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ucp h ALA 70 CO -0.15 0.20 -0.10 -0.97 0.00 0.00 0.00 179.25 178.22 1ucp h ASN 71 N 0.47 -0.23 -0.40 0.00 -1.24 0.69 0.55 115.58 115.41 1ucp h ASN 71 Ca 0.14 -0.30 0.02 0.00 0.71 0.00 0.00 56.30 56.88 1ucp h ASN 71 Cb 0.00 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 1ucp h ASN 71 CO -0.03 0.27 0.22 0.58 -1.29 0.00 0.00 177.43 177.18 1ucp h VAL 72 N -0.83 1.01 -0.33 2.57 2.07 -0.66 0.18 116.25 120.26 1ucp h VAL 72 Ca -0.03 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1ucp h VAL 72 Cb 0.52 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1ucp h VAL 72 CO 0.05 0.08 0.04 -0.07 0.02 0.00 0.00 177.57 177.69 1ucp h LEU 73 N 0.45 -0.05 -1.38 2.57 3.38 -0.99 -0.45 115.31 118.85 1ucp h LEU 73 Ca 0.17 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1ucp h LEU 73 Cb 0.04 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ucp h LEU 73 CO -0.10 0.01 0.44 -0.09 0.09 0.00 0.00 178.44 178.80 1ucp h ARG 74 N 0.14 0.79 0.00 1.13 1.12 -0.24 0.06 114.38 117.38 1ucp h ARG 74 Ca 0.16 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.94 1ucp h ARG 74 Cb 0.19 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1ucp h ARG 74 CO -0.23 0.52 -0.18 0.22 -3.11 0.00 0.00 179.97 177.20 1ucp h ASP 75 N 0.82 0.00 0.39 -3.80 3.58 0.86 0.02 116.42 118.28 1ucp h ASP 75 Ca 0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1ucp h ASP 75 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1ucp h ASP 75 CO -0.07 0.18 0.00 0.23 -2.88 0.00 0.00 179.24 176.70 1ucp n MET 76 N -4.03 0.09 -2.14 0.28 2.81 0.00 -4.88 117.12 109.25 1ucp n MET 76 Ca -0.02 0.22 -0.03 0.00 -1.81 0.00 0.00 57.70 56.05 1ucp n MET 76 Cb 0.26 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.29 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 -0.08 0.35 2.74 3.03 0.00 -0.01 -5.08 105.19 106.15 1ucp n GLY 77 Ca 0.05 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.12 0.76 0.00 0.99 0.20 -1.20 -5.03 118.68 111.28 1ucp s LEU 78 Ca 0.04 0.05 0.00 0.00 0.69 0.00 0.00 54.13 54.90 1ucp s LEU 78 Cb -0.00 -0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.65 1ucp s LEU 78 CO 0.15 -0.17 0.00 0.00 -0.29 0.00 0.00 176.35 176.04 1ucp n GLN 79 N 4.57 1.38 0.19 1.98 10.64 -1.26 -3.27 117.38 131.61 1ucp n GLN 79 Ca -0.19 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 54.89 1ucp n GLN 79 Cb 0.50 -0.97 -0.04 0.00 -0.86 0.00 0.00 30.24 28.87 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 -0.50 -0.32 2.61 4.11 -1.99 -0.55 114.58 117.94 1ucp h GLU 80 Ca 0.00 0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.47 1ucp h GLU 80 Cb 0.28 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ucp h GLU 80 CO 0.00 -0.33 0.20 1.98 0.07 0.00 0.00 179.01 180.93 1ucp h MET 81 N -0.52 0.40 -0.91 1.06 4.05 -1.99 -1.76 114.93 115.26 1ucp h MET 81 Ca -0.05 -0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.50 1ucp h MET 81 Cb 0.41 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.04 1ucp h MET 81 CO 0.06 0.26 0.58 0.00 0.23 0.00 0.00 176.91 178.05 1ucp h ALA 82 N 1.13 1.83 -0.01 0.39 0.00 -1.82 0.27 119.26 121.06 1ucp h ALA 82 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ucp h ALA 82 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ucp h ALA 82 CO -0.04 -0.09 -0.10 0.78 0.00 0.00 0.00 179.25 179.80 1ucp h GLY 83 N 0.69 0.09 0.99 0.00 0.00 -0.40 -1.57 103.07 102.88 1ucp h GLY 83 Ca 0.47 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1ucp h GLY 83 CO -0.22 0.13 0.33 1.46 0.00 0.00 0.00 176.54 178.24 1ucp h GLN 84 N -0.61 0.66 -0.26 4.80 4.20 -0.88 -2.05 115.11 120.99 1ucp h GLN 84 Ca -0.01 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.72 1ucp h GLN 84 Cb 0.82 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 1ucp h GLN 84 CO 0.02 0.44 -0.13 1.25 -0.67 0.00 0.00 178.83 179.74 1ucp h LEU 85 N 0.68 -0.44 0.21 1.46 5.85 -0.54 0.33 115.31 122.85 1ucp h LEU 85 Ca 0.19 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1ucp h LEU 85 Cb -0.07 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ucp h LEU 85 CO -0.04 -0.17 -0.21 -0.61 -0.34 0.00 0.00 178.44 177.06 1ucp h GLN 86 N -0.10 -0.44 -0.48 1.25 4.15 -1.04 -0.58 115.11 117.87 1ucp h GLN 86 Ca 0.14 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 1ucp h GLN 86 Cb 0.31 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1ucp h GLN 86 CO -0.32 -0.29 0.17 0.00 -1.93 0.00 0.00 178.83 176.45 1ucp h ALA 87 N 0.26 0.62 -0.85 3.38 0.00 -1.08 -0.42 119.26 121.17 1ucp h ALA 87 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1ucp h ALA 87 Cb 0.43 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1ucp h ALA 87 CO -0.06 0.25 0.55 0.00 0.00 0.00 0.00 179.25 180.00 1ucp h ALA 88 N 1.02 1.82 0.46 0.00 0.00 -0.17 -0.51 119.26 121.87 1ucp h ALA 88 Ca 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ucp h ALA 88 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ucp h ALA 88 CO -0.01 -0.03 -0.22 1.15 0.00 0.00 0.00 179.25 180.14 1ucp h THR 89 N 0.70 0.09 -2.81 0.00 2.02 -0.67 -3.43 112.91 108.80 1ucp h THR 89 Ca 0.42 -0.56 -0.46 0.00 0.77 0.00 0.00 66.41 66.57 1ucp h THR 89 Cb 0.63 0.14 -0.39 0.00 -1.74 0.00 0.00 68.15 66.78 1ucp h THR 89 CO -0.18 0.02 -0.74 -2.28 0.37 0.00 0.00 175.52 172.71 1ucp s HIS 90 N -3.72 0.14 -2.86 3.16 5.65 -0.21 -4.42 115.29 113.04 1ucp s HIS 90 Ca -0.10 -0.49 0.25 0.00 0.25 0.00 0.00 55.06 54.97 1ucp s HIS 90 Cb 0.01 -0.73 0.43 0.00 -1.18 0.00 0.00 32.58 31.11 1ucp s HIS 90 CO 0.31 -0.69 1.40 0.94 -0.65 0.00 0.00 174.74 176.05