#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 -0.48 0.44 3.03 0.00 -1.26 -4.31 105.19 102.60 1ucp n GLY 2 Ca 0.00 -1.59 0.24 0.00 0.00 0.00 0.00 46.02 44.67 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 0.28 1.61 3.08 -1.94 0.07 114.38 117.48 1ucp h ARG 3 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1ucp h ARG 3 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ucp h ARG 3 CO 0.00 0.00 -0.44 0.00 -1.07 0.00 0.00 179.97 178.46 1ucp h ALA 4 N 1.31 -0.88 -0.34 0.04 0.00 -1.79 0.19 119.26 117.79 1ucp h ALA 4 Ca 0.31 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1ucp h ALA 4 Cb 1.61 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1ucp h ALA 4 CO -0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 179.25 178.15 1ucp h ARG 5 N -0.78 0.64 0.00 0.00 3.08 -1.28 -1.98 114.38 114.06 1ucp h ARG 5 Ca -0.01 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 1ucp h ARG 5 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1ucp h ARG 5 CO -0.16 0.78 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.85 1ucp h ASP 6 N 0.43 0.00 -0.02 7.04 3.32 -1.21 0.18 116.42 126.16 1ucp h ASP 6 Ca 0.09 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1ucp h ASP 6 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1ucp h ASP 6 CO 0.03 0.23 -0.60 0.00 -1.72 0.00 0.00 179.24 177.17 1ucp h ALA 7 N 1.77 0.10 -0.35 3.45 0.00 -0.49 -1.39 119.26 122.36 1ucp h ALA 7 Ca -0.00 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1ucp h ALA 7 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ucp h ALA 7 CO 0.03 0.37 0.21 0.82 0.00 0.00 0.00 179.25 180.68 1ucp h ILE 8 N -0.04 1.05 0.27 0.00 2.04 -0.68 0.29 117.51 120.45 1ucp h ILE 8 Ca -0.07 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1ucp h ILE 8 Cb 1.30 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1ucp h ILE 8 CO 0.12 0.08 -0.32 0.25 0.00 0.00 0.00 178.15 178.27 1ucp h LEU 9 N 0.43 -0.89 -1.22 1.44 7.12 -0.70 0.25 115.31 121.74 1ucp h LEU 9 Ca 0.14 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.23 1ucp h LEU 9 Cb -0.01 0.31 -0.04 0.00 -0.53 0.00 0.00 40.66 40.39 1ucp h LEU 9 CO -0.05 -0.45 0.47 0.44 -0.13 0.00 0.00 178.44 178.72 1ucp h ASP 10 N -0.64 0.87 0.77 1.25 5.19 -1.14 -0.30 116.42 122.42 1ucp h ASP 10 Ca -0.00 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1ucp h ASP 10 Cb 0.60 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.90 1ucp h ASP 10 CO -0.10 0.65 -0.37 0.00 -3.12 0.00 0.00 179.24 176.30 1ucp h ALA 11 N 1.50 -1.26 -0.83 3.45 0.00 -0.42 -1.33 119.26 120.37 1ucp h ALA 11 Ca 0.27 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1ucp h ALA 11 Cb -0.08 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1ucp h ALA 11 CO -0.05 -1.19 0.40 -0.07 0.00 0.00 0.00 179.25 178.34 1ucp h LEU 12 N -1.05 0.46 -0.22 0.00 -0.00 -0.71 -0.55 115.31 113.24 1ucp h LEU 12 Ca -0.11 0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1ucp h LEU 12 Cb 0.80 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 1ucp h LEU 12 CO 0.17 0.18 0.09 -0.33 -0.00 0.00 0.00 178.44 178.56 1ucp h GLU 13 N 0.57 0.19 0.00 1.13 4.39 -1.05 -2.73 114.58 117.08 1ucp h GLU 13 Ca 0.46 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1ucp h GLU 13 Cb 0.66 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1ucp h GLU 13 CO -0.38 0.13 0.00 0.09 -1.16 0.00 0.00 179.01 177.69 1ucp n ASN 14 N -5.02 0.00 -4.84 1.42 3.02 -0.45 -4.77 115.26 104.62 1ucp n ASN 14 Ca -0.02 0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.35 1ucp n ASN 14 Cb 0.07 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.73 3.96 0.51 3.41 1.43 -0.34 -5.06 118.68 119.85 1ucp s LEU 15 Ca 0.19 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1ucp s LEU 15 Cb 0.16 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 42.13 1ucp s LEU 15 CO 0.39 -0.31 0.73 0.42 0.23 0.00 0.00 176.35 177.82 1ucp s THR 16 N -2.14 3.18 0.48 5.49 -4.23 -1.26 -4.84 115.64 112.31 1ucp s THR 16 Ca 0.57 -0.60 0.14 0.00 -1.18 0.00 0.00 61.69 60.61 1ucp s THR 16 Cb -0.10 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.85 1ucp s THR 16 CO 0.18 -0.13 2.09 0.00 -0.54 0.00 0.00 174.62 176.22 1ucp h ALA 17 N 0.20 1.96 -0.18 3.99 0.00 -1.97 0.13 119.26 123.39 1ucp h ALA 17 Ca -0.44 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1ucp h ALA 17 Cb 1.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ucp h ALA 17 CO 0.54 0.01 -0.31 1.49 0.00 0.00 0.00 179.25 180.98 1ucp h GLU 18 N 0.23 0.52 -0.21 0.00 4.57 -1.99 0.30 114.58 118.00 1ucp h GLU 18 Ca 0.11 -0.33 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1ucp h GLU 18 Cb 0.14 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1ucp h GLU 18 CO -0.02 0.93 0.10 0.93 -1.18 0.00 0.00 179.01 179.77 1ucp h GLU 19 N 0.18 0.22 -0.79 1.92 4.39 -1.67 -1.05 114.58 117.78 1ucp h GLU 19 Ca 0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ucp h GLU 19 Cb 0.89 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 1ucp h GLU 19 CO 0.07 0.14 0.44 -0.07 -1.16 0.00 0.00 179.01 178.43 1ucp h LEU 20 N 0.22 0.98 0.31 1.33 3.38 -0.71 0.27 115.31 121.10 1ucp h LEU 20 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ucp h LEU 20 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ucp h LEU 20 CO -0.06 0.79 -0.27 0.50 0.09 0.00 0.00 178.44 179.49 1ucp h LYS 21 N 1.09 -0.58 -0.63 1.13 3.64 -0.61 0.89 116.57 121.50 1ucp h LYS 21 Ca 0.28 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 1ucp h LYS 21 Cb 0.03 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1ucp h LYS 21 CO -0.05 -0.39 0.28 0.87 -2.27 0.00 0.00 179.45 177.90 1ucp h LYS 22 N -0.60 0.49 0.36 1.90 1.79 -0.90 -1.69 116.57 117.91 1ucp h LYS 22 Ca -0.02 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1ucp h LYS 22 Cb 0.54 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1ucp h LYS 22 CO -0.03 0.32 -0.17 0.35 -1.08 0.00 0.00 179.45 178.84 1ucp h PHE 23 N 0.50 -0.44 -0.81 -1.35 3.57 0.18 0.29 116.94 118.87 1ucp h PHE 23 Ca 0.31 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.90 1ucp h PHE 23 Cb 0.34 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1ucp h PHE 23 CO -0.13 -0.25 0.53 0.87 -2.23 0.00 0.00 178.31 177.09 1ucp h LYS 24 N -0.51 0.70 0.03 1.11 1.57 -0.62 0.24 116.57 119.09 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 0.39 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ucp h LYS 24 CO 0.08 0.46 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.34 1ucp h LEU 25 N 0.72 -0.03 -1.45 2.94 3.38 -0.94 -3.35 115.31 116.59 1ucp h LEU 25 Ca 0.38 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1ucp h LEU 25 Cb 0.49 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1ucp h LEU 25 CO -0.15 0.68 0.07 0.11 0.09 0.00 0.00 178.44 179.23 1ucp h LYS 26 N -0.78 0.43 -0.07 1.13 1.57 0.26 -0.19 116.57 118.92 1ucp h LYS 26 Ca -0.00 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ucp h LYS 26 Cb 0.69 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ucp h LYS 26 CO 0.01 0.41 0.24 -0.07 -0.57 0.00 0.00 179.45 179.46 1ucp h LEU 27 N 0.43 0.00 -2.83 2.94 3.38 -0.68 -1.10 115.31 117.45 1ucp h LEU 27 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1ucp h LEU 27 Cb 0.18 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1ucp h LEU 27 CO -0.00 0.00 -0.66 -0.11 0.09 0.00 0.00 178.44 177.76 1ucp n LEU 28 N -3.17 1.50 0.00 1.67 0.00 -0.18 -4.81 117.00 112.00 1ucp n LEU 28 Ca -0.01 -2.52 0.00 0.00 0.00 0.00 0.00 56.01 53.48 1ucp n LEU 28 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1ucp n LEU 28 CO 0.19 0.75 0.00 -0.24 0.00 0.00 0.00 177.39 178.09 1ucp n SER 29 N -0.30 0.00 -4.70 1.96 2.88 -0.43 -4.94 113.62 108.10 1ucp n SER 29 Ca 0.10 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.22 1ucp n SER 29 Cb 0.88 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.98 2.53 0.14 2.46 0.11 -1.15 -4.93 120.40 118.58 1ucp s VAL 30 Ca 0.00 0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 1ucp s VAL 30 Cb 0.00 -3.08 -0.09 0.00 -1.53 0.00 0.00 36.38 31.68 1ucp s VAL 30 CO 0.00 0.00 1.47 -2.16 -3.33 0.00 0.00 175.10 171.08 1ucp s PRO 31 N 2.41 4.27 0.66 1.54 0.04 -1.26 -4.91 135.00 137.74 1ucp s PRO 31 Ca 0.78 2.20 -0.09 0.00 0.04 0.00 0.00 61.00 63.94 1ucp s PRO 31 Cb -0.46 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 30.89 1ucp s PRO 31 CO 0.35 -0.51 1.01 -1.17 0.04 0.00 0.00 177.00 176.71 1ucp s LEU 32 N 1.13 3.03 0.53 -3.56 2.96 -1.26 -5.03 118.68 116.48 1ucp s LEU 32 Ca 0.67 0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 55.28 1ucp s LEU 32 Cb -0.40 -3.67 -0.06 0.00 0.50 0.00 0.00 46.19 42.56 1ucp s LEU 32 CO 0.31 -1.25 1.06 -0.13 -1.32 0.00 0.00 176.35 175.01 1ucp s ARG 33 N -5.19 3.57 0.66 1.98 0.52 -1.26 -5.03 118.95 114.19 1ucp s ARG 33 Ca 0.56 1.36 -0.08 0.00 -0.52 0.00 0.00 55.73 57.05 1ucp s ARG 33 Cb -0.11 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.33 1ucp s ARG 33 CO 0.48 -0.63 1.00 -2.00 0.02 0.00 0.00 175.30 174.17 1ucp s GLU 34 N -3.50 2.70 0.00 3.54 2.56 -1.26 -4.20 118.70 118.53 1ucp s GLU 34 Ca 0.67 0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.73 1ucp s GLU 34 Cb -0.18 -2.16 0.00 0.00 2.00 0.00 0.00 34.13 33.80 1ucp s GLU 34 CO 0.26 -0.96 0.00 0.41 -0.56 0.00 0.00 175.26 174.41 1ucp n GLY 35 N -2.82 0.44 3.29 -1.50 0.00 -1.26 -5.06 105.19 98.29 1ucp n GLY 35 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1ucp n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucp s TYR 36 N -2.13 1.43 0.77 1.61 2.02 -1.26 -5.17 117.35 114.62 1ucp s TYR 36 Ca 0.00 -1.03 -0.07 0.00 -0.37 0.00 0.00 57.07 55.59 1ucp s TYR 36 Cb 0.00 -0.83 0.12 0.00 -0.40 0.00 0.00 41.96 40.85 1ucp s TYR 36 CO 0.00 -0.19 1.08 0.20 -1.57 0.00 0.00 175.55 175.08 1ucp s GLY 37 N -3.26 1.74 -0.11 0.71 0.00 -1.26 -5.03 107.32 100.10 1ucp s GLY 37 Ca 0.30 -1.25 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 1ucp s GLY 37 CO 0.08 -0.70 -0.05 0.50 0.00 0.00 0.00 173.10 172.93 1ucp s ARG 38 N -5.38 1.27 -0.25 2.90 1.81 -1.26 -5.05 118.95 113.00 1ucp s ARG 38 Ca 0.66 -0.20 -0.26 0.00 -1.72 0.00 0.00 55.73 54.21 1ucp s ARG 38 Cb -0.07 -1.50 0.00 0.00 -0.45 0.00 0.00 34.95 32.93 1ucp s ARG 38 CO 0.47 -0.30 0.89 0.42 -0.68 0.00 0.00 175.30 176.09 1ucp s ILE 39 N 1.77 4.78 0.78 1.52 1.01 -1.26 -5.05 121.20 124.75 1ucp s ILE 39 Ca 0.04 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 1ucp s ILE 39 Cb -0.13 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1ucp s ILE 39 CO -0.07 -0.14 1.08 -2.16 0.00 0.00 0.00 174.94 173.65 1ucp s PRO 40 N 2.99 2.25 0.15 2.79 0.04 -1.26 -4.73 135.00 137.22 1ucp s PRO 40 Ca 0.37 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 1ucp s PRO 40 Cb -0.15 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.50 1ucp s PRO 40 CO 0.08 -1.55 1.67 -0.09 0.04 0.00 0.00 177.00 177.15 1ucp h ARG 41 N -1.04 0.81 -0.76 4.56 1.12 -1.94 -1.80 114.38 115.32 1ucp h ARG 41 Ca -0.46 -0.18 0.04 0.00 -1.11 0.00 0.00 59.98 58.27 1ucp h ARG 41 Cb 1.25 -0.11 -0.05 0.00 -0.01 0.00 0.00 29.97 31.05 1ucp h ARG 41 CO 0.57 0.76 0.48 0.78 -3.11 0.00 0.00 179.97 179.45 1ucp h GLY 42 N 0.70 1.12 0.88 2.80 0.00 -1.94 0.20 103.07 106.83 1ucp h GLY 42 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ucp h GLY 42 CO -0.00 0.28 -0.10 0.00 0.00 0.00 0.00 176.54 176.72 1ucp h ALA 43 N 1.34 -0.21 -0.82 3.60 0.00 -1.87 -1.53 119.26 119.77 1ucp h ALA 43 Ca 0.32 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1ucp h ALA 43 Cb 0.06 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1ucp h ALA 43 CO -0.13 -0.63 0.53 -0.07 0.00 0.00 0.00 179.25 178.95 1ucp h LEU 44 N -0.23 0.65 -0.51 0.00 3.38 -0.55 0.47 115.31 118.51 1ucp h LEU 44 Ca 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1ucp h LEU 44 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ucp h LEU 44 CO -0.03 0.37 -0.45 -0.07 0.09 0.00 0.00 178.44 178.35 1ucp h LEU 45 N 0.71 0.77 -1.16 1.67 -0.00 -0.61 -2.97 115.31 113.72 1ucp h LEU 45 Ca 0.39 -0.37 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 1ucp h LEU 45 Cb 0.54 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1ucp h LEU 45 CO -0.16 1.10 -0.21 0.77 -0.00 0.00 0.00 178.44 179.95 1ucp h SER 46 N 0.57 0.00 -4.32 -0.43 4.64 -0.12 -3.44 113.55 110.45 1ucp h SER 46 Ca 0.03 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.87 1ucp h SER 46 Cb 1.01 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.17 1ucp h SER 46 CO 0.10 0.21 0.36 -0.04 -0.87 0.00 0.00 176.83 176.58 1ucp s MET 47 N -3.67 2.66 0.00 4.77 -1.94 0.01 -5.10 119.30 116.03 1ucp s MET 47 Ca 0.00 0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 1ucp s MET 47 Cb 0.10 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.88 1ucp s MET 47 CO 0.63 -1.09 0.00 -0.40 -0.01 0.00 0.00 175.02 174.15 1ucp n ASP 48 N -2.99 1.24 -0.12 3.03 5.75 -1.26 -4.92 116.55 117.28 1ucp n ASP 48 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.75 1ucp n ASP 48 Cb 0.58 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.65 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 1.00 0.46 0.38 2.12 0.00 -1.95 -0.50 119.26 120.76 1ucp h ALA 49 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 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 0.16 -0.18 1.25 0.00 0.00 0.00 179.25 180.48 1ucp h LEU 50 N 0.41 -0.43 -0.78 0.00 5.85 -1.97 -0.11 115.31 118.29 1ucp h LEU 50 Ca 0.11 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1ucp h LEU 50 Cb 0.36 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1ucp h LEU 50 CO 0.01 -0.02 0.40 0.44 -0.34 0.00 0.00 178.44 178.92 1ucp h ASP 51 N -0.93 0.51 0.94 1.25 5.19 -1.96 -0.94 116.42 120.49 1ucp h ASP 51 Ca -0.05 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.38 1ucp h ASP 51 Cb 0.54 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1ucp h ASP 51 CO 0.09 0.27 -0.45 0.25 -3.12 0.00 0.00 179.24 176.27 1ucp h LEU 52 N 0.64 -1.07 -0.58 1.55 6.46 -1.04 -0.15 115.31 121.12 1ucp h LEU 52 Ca 0.39 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 58.31 1ucp h LEU 52 Cb 0.46 0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 40.56 1ucp h LEU 52 CO -0.30 -0.74 -0.10 0.74 -0.62 0.00 0.00 178.44 177.42 1ucp h THR 53 N -1.30 0.45 0.19 1.05 2.02 -0.52 0.48 112.91 115.28 1ucp h THR 53 Ca -0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1ucp h THR 53 Cb 0.97 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1ucp h THR 53 CO 0.21 0.01 -0.09 0.44 0.37 0.00 0.00 175.52 176.46 1ucp h ASP 54 N 0.03 -0.21 0.37 4.18 3.32 -1.19 -1.78 116.42 121.14 1ucp h ASP 54 Ca 0.29 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1ucp h ASP 54 Cb 0.45 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ucp h ASP 54 CO -0.57 -0.14 -0.18 0.50 -1.72 0.00 0.00 179.24 177.13 1ucp h LYS 55 N -0.26 -0.48 -0.94 3.56 3.64 0.15 -2.08 116.57 120.16 1ucp h LYS 55 Ca -0.03 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.60 1ucp h LYS 55 Cb 0.20 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.01 1ucp h LYS 55 CO 0.04 -0.32 0.50 1.25 -2.27 0.00 0.00 179.45 178.65 1ucp h LEU 56 N -0.56 0.55 0.42 5.20 7.12 -0.15 0.50 115.31 128.37 1ucp h LEU 56 Ca -0.05 0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 1ucp h LEU 56 Cb 0.38 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1ucp h LEU 56 CO 0.08 0.11 -0.20 0.58 -0.13 0.00 0.00 178.44 178.89 1ucp h VAL 57 N 0.55 0.38 -0.16 1.05 2.07 -1.36 -2.87 116.25 115.90 1ucp h VAL 57 Ca 0.57 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1ucp h VAL 57 Cb 1.01 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1ucp h VAL 57 CO -0.46 0.07 -0.16 -1.28 0.02 0.00 0.00 177.57 175.77 1ucp h SER 58 N -0.99 0.26 1.46 0.57 0.87 -0.52 -1.91 113.55 113.29 1ucp h SER 58 Ca -0.06 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1ucp h SER 58 Cb 0.55 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1ucp h SER 58 CO 0.09 0.44 0.00 0.15 -0.53 0.00 0.00 176.83 176.98 1ucp h PHE 59 N 0.25 0.00 0.00 2.24 3.57 -0.15 -3.43 116.94 119.42 1ucp h PHE 59 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ucp h PHE 59 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ucp h PHE 59 CO 0.01 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.75 1ucp n TYR 60 N -2.85 0.00 -3.68 0.41 4.01 -0.98 -4.53 117.16 109.55 1ucp n TYR 60 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 1ucp n TYR 60 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.35 0.12 7.72 2.01 -0.75 -4.96 118.68 122.47 1ucp s LEU 61 Ca 0.00 -0.36 0.12 0.00 0.01 0.00 0.00 54.13 53.90 1ucp s LEU 61 Cb 0.00 2.62 0.57 0.00 0.01 0.00 0.00 46.19 49.39 1ucp s LEU 61 CO 0.00 -1.17 1.36 -0.62 1.01 0.00 0.00 176.35 176.93 1ucp n GLU 62 N -0.42 0.06 -0.00 1.70 4.71 -1.26 -0.97 120.64 124.46 1ucp n GLU 62 Ca -0.10 0.48 -0.00 0.00 -0.01 0.00 0.00 57.16 57.53 1ucp n GLU 62 Cb 0.62 -1.67 -0.00 0.00 -1.01 0.00 0.00 31.44 29.37 1ucp n GLU 62 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1ucp n THR 63 N -1.80 0.01 -0.25 2.62 -1.04 -1.26 -4.68 114.28 107.88 1ucp n THR 63 Ca 0.01 -0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 1ucp n THR 63 Cb 0.07 -1.45 0.41 0.00 -1.82 0.00 0.00 70.33 67.54 1ucp n THR 63 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1ucp h TYR 64 N -0.01 0.75 -0.02 -1.42 5.03 -1.95 -0.92 116.97 118.43 1ucp h TYR 64 Ca -0.00 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.35 1ucp h TYR 64 Cb 1.00 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 1ucp h TYR 64 CO -0.00 0.27 -0.10 0.78 -1.32 0.00 0.00 178.16 177.79 1ucp h GLY 65 N 0.63 -0.09 1.17 1.82 0.00 -1.30 0.19 103.07 105.49 1ucp h GLY 65 Ca 0.44 0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.75 1ucp h GLY 65 CO -0.19 -0.10 -0.24 0.00 0.00 0.00 0.00 176.54 176.01 1ucp h ALA 66 N 0.84 0.72 0.01 3.60 0.00 -1.49 -0.42 119.26 122.52 1ucp h ALA 66 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1ucp h ALA 66 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ucp h ALA 66 CO -0.11 0.67 -0.11 1.49 0.00 0.00 0.00 179.25 181.18 1ucp h GLU 67 N 0.81 -0.19 -0.00 0.00 4.81 -0.99 -0.30 114.58 118.72 1ucp h GLU 67 Ca 0.10 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1ucp h GLU 67 Cb 0.80 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 1ucp h GLU 67 CO 0.07 -0.12 -0.25 1.25 -0.73 0.00 0.00 179.01 179.22 1ucp h LEU 68 N -0.19 -0.75 0.02 1.64 6.46 -0.51 0.69 115.31 122.66 1ucp h LEU 68 Ca 0.04 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1ucp h LEU 68 Cb 0.24 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1ucp h LEU 68 CO -0.11 -0.32 -0.25 0.74 -0.62 0.00 0.00 178.44 177.88 1ucp h THR 69 N -0.39 0.43 -0.51 1.05 2.02 -0.61 0.71 112.91 115.61 1ucp h THR 69 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ucp h THR 69 Cb 0.48 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1ucp h THR 69 CO -0.23 0.00 0.18 0.00 0.37 0.00 0.00 175.52 175.85 1ucp h ALA 70 N 0.42 1.36 0.96 6.16 0.00 -0.93 -0.32 119.26 126.91 1ucp h ALA 70 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ucp h ALA 70 Cb 0.47 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ucp h ALA 70 CO -0.21 0.48 -0.46 -0.97 0.00 0.00 0.00 179.25 178.09 1ucp h ASN 71 N 0.74 -1.09 -0.75 0.00 -0.73 0.25 0.45 115.58 114.44 1ucp h ASN 71 Ca 0.17 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1ucp h ASN 71 Cb 0.18 0.28 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 1ucp h ASN 71 CO -0.01 -0.78 0.42 0.58 -0.37 0.00 0.00 177.43 177.27 1ucp h VAL 72 N -1.30 1.23 -0.23 2.57 2.07 -0.86 0.92 116.25 120.65 1ucp h VAL 72 Ca -0.13 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1ucp h VAL 72 Cb 0.99 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ucp h VAL 72 CO 0.22 0.25 0.13 -0.07 0.02 0.00 0.00 177.57 178.12 1ucp h LEU 73 N 1.07 0.28 -1.82 2.57 3.38 -0.97 -0.83 115.31 118.99 1ucp h LEU 73 Ca 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1ucp h LEU 73 Cb 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ucp h LEU 73 CO -0.04 0.27 -0.10 -0.09 0.09 0.00 0.00 178.44 178.56 1ucp h ARG 74 N 0.27 0.00 -0.10 1.13 2.43 -0.27 -1.28 114.38 116.56 1ucp h ARG 74 Ca 0.08 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 1ucp h ARG 74 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1ucp h ARG 74 CO -0.01 0.10 -0.59 0.22 -1.51 0.00 0.00 179.97 178.18 1ucp h ASP 75 N 0.00 0.35 0.54 -3.80 3.58 -0.04 -2.83 116.42 114.23 1ucp h ASP 75 Ca -0.00 -0.20 -0.12 0.00 0.42 0.00 0.00 57.03 57.13 1ucp h ASP 75 Cb 0.40 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1ucp h ASP 75 CO 0.01 0.86 -0.58 0.24 -2.88 0.00 0.00 179.24 176.89 1ucp h MET 76 N 0.24 0.04 0.00 0.28 2.86 -0.09 -3.47 114.93 114.78 1ucp h MET 76 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ucp h MET 76 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1ucp h MET 76 CO 0.10 0.61 0.00 0.41 1.06 0.00 0.00 176.91 179.08 1ucp n GLY 77 N 0.15 0.95 3.69 8.32 0.00 -0.69 -5.11 105.19 112.51 1ucp n GLY 77 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.66 -4.89 118.68 118.63 1ucp s LEU 78 Ca 0.00 1.92 0.00 0.00 0.69 0.00 0.00 54.13 56.74 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 -0.57 0.00 0.00 -0.29 0.00 0.00 176.35 175.49 1ucp n GLN 79 N 4.89 2.62 0.20 1.98 10.64 -1.26 -2.71 117.38 133.73 1ucp n GLN 79 Ca 0.11 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.14 1ucp n GLN 79 Cb 0.46 -0.96 -0.08 0.00 -0.86 0.00 0.00 30.24 28.80 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 -0.49 -0.69 2.61 -0.00 -2.00 -1.39 114.58 112.63 1ucp h GLU 80 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.37 1ucp h GLU 80 Cb 0.93 0.11 -0.03 0.00 -0.00 0.00 0.00 28.75 29.75 1ucp h GLU 80 CO 0.00 -0.19 0.32 1.98 -0.00 0.00 0.00 179.01 181.12 1ucp h MET 81 N -0.80 0.98 -0.75 1.06 -1.53 -1.98 -1.40 114.93 110.50 1ucp h MET 81 Ca -0.05 -0.14 0.07 0.00 -3.44 0.00 0.00 59.70 56.14 1ucp h MET 81 Cb 0.53 -0.18 -0.06 0.00 -0.55 0.00 0.00 31.60 31.33 1ucp h MET 81 CO 0.08 0.77 0.42 0.00 0.14 0.00 0.00 176.91 178.33 1ucp h ALA 82 N 1.37 1.03 0.16 0.39 0.00 -1.76 0.28 119.26 120.75 1ucp h ALA 82 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ucp h ALA 82 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ucp h ALA 82 CO -0.03 0.08 -0.08 0.78 0.00 0.00 0.00 179.25 180.01 1ucp h GLY 83 N 0.75 -0.23 0.43 0.00 0.00 -0.63 -1.90 103.07 101.49 1ucp h GLY 83 Ca 0.35 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.83 1ucp h GLY 83 CO -0.21 -0.08 0.05 1.46 0.00 0.00 0.00 176.54 177.76 1ucp h GLN 84 N -0.44 0.17 0.55 4.80 1.08 -0.82 -1.34 115.11 119.11 1ucp h GLN 84 Ca -0.02 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1ucp h GLN 84 Cb 0.34 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1ucp h GLN 84 CO 0.04 0.11 -0.28 1.25 -0.95 0.00 0.00 178.83 179.00 1ucp h LEU 85 N 0.17 -0.67 -0.58 1.46 5.85 -0.44 0.22 115.31 121.33 1ucp h LEU 85 Ca 0.20 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 1ucp h LEU 85 Cb 0.26 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ucp h LEU 85 CO -0.29 -0.47 -0.09 -0.61 -0.34 0.00 0.00 178.44 176.64 1ucp h GLN 86 N -0.76 1.03 -0.05 1.25 4.15 -1.32 -1.70 115.11 117.71 1ucp h GLN 86 Ca -0.07 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1ucp h GLN 86 Cb 0.59 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 1ucp h GLN 86 CO 0.11 1.06 0.03 0.00 -1.93 0.00 0.00 178.83 178.11 1ucp h ALA 87 N 0.96 0.07 -0.95 3.38 0.00 -1.09 0.17 119.26 121.80 1ucp h ALA 87 Ca 0.15 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ucp h ALA 87 Cb 0.66 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1ucp h ALA 87 CO 0.05 -0.40 0.61 0.00 0.00 0.00 0.00 179.25 179.51 1ucp h ALA 88 N 0.95 1.52 -0.33 0.00 0.00 -0.45 -0.81 119.26 120.14 1ucp h ALA 88 Ca 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1ucp h ALA 88 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ucp h ALA 88 CO -0.00 0.30 -0.29 1.15 0.00 0.00 0.00 179.25 180.41 1ucp h THR 89 N 1.02 1.29 -1.66 0.00 2.02 -0.84 -3.41 112.91 111.33 1ucp h THR 89 Ca 0.43 -1.45 -0.17 0.00 0.77 0.00 0.00 66.41 65.98 1ucp h THR 89 Cb 0.31 1.49 -0.28 0.00 -1.74 0.00 0.00 68.15 67.93 1ucp h THR 89 CO -0.18 0.47 -0.52 -2.28 0.37 0.00 0.00 175.52 173.37 1ucp s HIS 90 N -4.42 -1.06 -2.70 3.16 5.04 0.56 -4.68 115.29 111.19 1ucp s HIS 90 Ca -0.12 0.38 0.26 0.00 -1.54 0.00 0.00 55.06 54.05 1ucp s HIS 90 Cb 0.09 -0.12 0.70 0.00 0.04 0.00 0.00 32.58 33.29 1ucp s HIS 90 CO 0.84 -0.99 1.55 0.94 -2.34 0.00 0.00 174.74 174.74