#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 3.53 0.27 -5.12 0.00 -1.26 -4.78 105.19 97.83 1ucp n GLY 2 Ca 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.82 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 0.43 -0.17 1.61 3.08 -1.90 0.25 114.38 117.68 1ucp h ARG 3 Ca 0.00 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1ucp h ARG 3 Cb 0.00 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.89 1ucp h ARG 3 CO 0.00 0.29 -0.26 0.00 -1.07 0.00 0.00 179.97 178.92 1ucp h ALA 4 N 1.53 -0.23 -0.18 0.04 0.00 -1.86 0.35 119.26 118.90 1ucp h ALA 4 Ca 0.40 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1ucp h ALA 4 Cb 0.59 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ucp h ALA 4 CO -0.39 -0.72 0.01 0.00 0.00 0.00 0.00 179.25 178.15 1ucp h ARG 5 N -0.31 0.31 -0.11 0.00 3.08 -1.40 -1.83 114.38 114.13 1ucp h ARG 5 Ca 0.11 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1ucp h ARG 5 Cb 0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1ucp h ARG 5 CO -0.35 0.52 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.35 1ucp h ASP 6 N 0.07 0.19 -0.14 7.04 3.32 -0.39 0.19 116.42 126.69 1ucp h ASP 6 Ca 0.05 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1ucp h ASP 6 Cb 0.37 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ucp h ASP 6 CO 0.01 0.47 -0.18 0.00 -1.72 0.00 0.00 179.24 177.82 1ucp h ALA 7 N 1.55 0.22 0.16 3.45 0.00 -0.82 0.34 119.26 124.15 1ucp h ALA 7 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1ucp h ALA 7 Cb 0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ucp h ALA 7 CO 0.04 0.13 -0.23 0.82 0.00 0.00 0.00 179.25 180.01 1ucp h ILE 8 N -0.01 0.49 -0.27 0.00 2.04 -0.69 -0.41 117.51 118.66 1ucp h ILE 8 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1ucp h ILE 8 Cb 0.72 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 1ucp h ILE 8 CO 0.04 0.00 -0.46 0.25 0.00 0.00 0.00 178.15 177.98 1ucp h LEU 9 N -0.45 -1.48 -1.02 1.44 7.12 -0.63 0.64 115.31 120.93 1ucp h LEU 9 Ca 0.02 0.20 0.06 0.00 0.13 0.00 0.00 57.88 58.29 1ucp h LEU 9 Cb 0.46 0.62 -0.06 0.00 -0.53 0.00 0.00 40.66 41.14 1ucp h LEU 9 CO -0.11 -0.41 0.65 0.44 -0.13 0.00 0.00 178.44 178.88 1ucp h ASP 10 N -0.43 1.05 -0.18 1.25 3.32 -0.74 0.19 116.42 120.89 1ucp h ASP 10 Ca 0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1ucp h ASP 10 Cb 0.62 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ucp h ASP 10 CO -0.50 0.69 0.01 0.00 -1.72 0.00 0.00 179.24 177.72 1ucp h ALA 11 N 1.45 0.24 -0.80 3.45 0.00 0.24 0.63 119.26 124.47 1ucp h ALA 11 Ca 0.42 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1ucp h ALA 11 Cb 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ucp h ALA 11 CO -0.16 -0.07 0.35 -0.07 0.00 0.00 0.00 179.25 179.30 1ucp h LEU 12 N 0.07 1.07 -0.64 0.00 -0.00 -0.36 -1.63 115.31 113.82 1ucp h LEU 12 Ca 0.05 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1ucp h LEU 12 Cb 0.35 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 1ucp h LEU 12 CO 0.01 0.92 0.35 -0.33 -0.00 0.00 0.00 178.44 179.39 1ucp h GLU 13 N 1.15 0.89 0.00 1.13 4.39 -0.88 -2.45 114.58 118.81 1ucp h GLU 13 Ca 0.27 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ucp h GLU 13 Cb 0.17 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ucp h GLU 13 CO -0.03 0.68 0.00 0.09 -1.16 0.00 0.00 179.01 178.59 1ucp n ASN 14 N -4.54 0.09 -4.92 1.42 5.03 0.20 -4.79 115.26 107.76 1ucp n ASN 14 Ca 0.05 0.52 -0.27 0.00 0.87 0.00 0.00 54.58 55.75 1ucp n ASN 14 Cb 0.09 -0.54 0.07 0.00 -1.02 0.00 0.00 39.78 38.38 1ucp n ASN 14 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ucp s LEU 15 N -3.19 2.74 0.54 3.41 1.43 -0.67 -5.06 118.68 117.88 1ucp s LEU 15 Ca 0.07 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1ucp s LEU 15 Cb 0.09 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 43.18 1ucp s LEU 15 CO 0.28 -1.67 0.56 0.42 0.23 0.00 0.00 176.35 176.17 1ucp s THR 16 N -3.34 1.96 0.38 5.49 -4.23 -1.26 -4.88 115.64 109.76 1ucp s THR 16 Ca 0.60 -1.27 0.05 0.00 -1.18 0.00 0.00 61.69 59.89 1ucp s THR 16 Cb -0.11 -2.23 0.27 0.00 1.34 0.00 0.00 72.50 71.77 1ucp s THR 16 CO 0.46 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.57 1ucp h ALA 17 N 0.54 1.64 0.03 3.99 0.00 -1.98 0.32 119.26 123.81 1ucp h ALA 17 Ca -0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ucp h ALA 17 Cb 1.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ucp h ALA 17 CO 0.50 0.32 -0.01 1.49 0.00 0.00 0.00 179.25 181.55 1ucp h GLU 18 N 0.70 -0.04 -0.60 0.00 4.81 -1.99 -1.66 114.58 115.80 1ucp h GLU 18 Ca 0.20 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1ucp h GLU 18 Cb -0.05 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1ucp h GLU 18 CO -0.05 0.50 0.11 0.93 -0.73 0.00 0.00 179.01 179.77 1ucp h GLU 19 N -0.61 0.97 -0.09 1.92 4.39 -1.87 -0.16 114.58 119.14 1ucp h GLU 19 Ca -0.00 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1ucp h GLU 19 Cb 0.56 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1ucp h GLU 19 CO 0.01 0.89 0.05 -0.07 -1.16 0.00 0.00 179.01 178.73 1ucp h LEU 20 N 0.92 0.11 -0.42 1.33 3.38 -0.45 0.20 115.31 120.38 1ucp h LEU 20 Ca 0.19 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1ucp h LEU 20 Cb 0.39 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1ucp h LEU 20 CO 0.01 0.14 -0.13 0.50 0.09 0.00 0.00 178.44 179.05 1ucp h LYS 21 N 0.06 -0.03 0.11 1.13 3.64 -0.82 -0.38 116.57 120.28 1ucp h LYS 21 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ucp h LYS 21 Cb 0.06 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ucp h LYS 21 CO -0.01 -0.02 -0.07 0.87 -2.27 0.00 0.00 179.45 177.95 1ucp h LYS 22 N -0.03 -0.17 -0.21 1.90 1.79 -0.57 0.08 116.57 119.35 1ucp h LYS 22 Ca 0.20 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 1ucp h LYS 22 Cb 0.34 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1ucp h LYS 22 CO -0.45 -0.11 -0.18 0.35 -1.08 0.00 0.00 179.45 177.97 1ucp h PHE 23 N -0.18 -0.47 -0.80 -1.35 3.04 -0.11 0.18 116.94 117.24 1ucp h PHE 23 Ca -0.01 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1ucp h PHE 23 Cb 0.16 0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 1ucp h PHE 23 CO -0.09 -0.26 0.42 0.87 -2.02 0.00 0.00 178.31 177.23 1ucp h LYS 24 N -0.19 1.13 -0.05 1.11 1.57 -0.91 -1.75 116.57 117.47 1ucp h LYS 24 Ca 0.13 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ucp h LYS 24 Cb 0.38 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1ucp h LYS 24 CO -0.32 0.85 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.32 1ucp h LEU 25 N 1.13 0.11 -0.86 2.94 3.38 -0.39 -3.30 115.31 118.32 1ucp h LEU 25 Ca 0.28 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1ucp h LEU 25 Cb 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1ucp h LEU 25 CO -0.04 0.47 0.49 0.11 0.09 0.00 0.00 178.44 179.56 1ucp h LYS 26 N -0.26 0.75 -0.87 1.13 1.79 -0.08 0.13 116.57 119.17 1ucp h LYS 26 Ca 0.01 -0.05 0.11 0.00 -2.18 0.00 0.00 60.65 58.55 1ucp h LYS 26 Cb 0.43 -0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 30.85 1ucp h LYS 26 CO 0.01 0.50 0.56 -0.07 -1.08 0.00 0.00 179.45 179.36 1ucp h LEU 27 N 0.77 0.72 -4.23 2.94 3.38 -1.42 -0.67 115.31 116.80 1ucp h LEU 27 Ca 0.43 0.03 -0.66 0.00 0.09 0.00 0.00 57.88 57.77 1ucp h LEU 27 Cb 0.47 -0.12 -0.33 0.00 0.09 0.00 0.00 40.66 40.77 1ucp h LEU 27 CO -0.28 0.41 0.38 -0.11 0.09 0.00 0.00 178.44 178.92 1ucp n LEU 28 N -4.53 6.74 0.00 1.67 0.00 -0.03 -4.43 117.00 116.42 1ucp n LEU 28 Ca 0.15 -4.62 0.00 0.00 0.00 0.00 0.00 56.01 51.54 1ucp n LEU 28 Cb 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 42.97 1ucp n LEU 28 CO 0.31 1.76 0.00 -0.24 0.00 0.00 0.00 177.39 179.22 1ucp n SER 29 N -0.74 0.00 -4.66 1.96 2.88 -0.32 -4.89 113.62 107.85 1ucp n SER 29 Ca 0.54 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.66 1ucp n SER 29 Cb 0.63 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.99 4.09 0.17 2.46 0.11 -0.84 -4.98 120.40 120.43 1ucp s VAL 30 Ca 0.00 1.33 -0.31 0.00 -2.93 0.00 0.00 61.98 60.07 1ucp s VAL 30 Cb 0.00 -3.86 -0.09 0.00 -1.53 0.00 0.00 36.38 30.90 1ucp s VAL 30 CO 0.00 -0.11 1.43 -2.16 -3.33 0.00 0.00 175.10 170.93 1ucp s PRO 31 N 3.60 4.29 0.80 1.54 0.04 -1.26 -4.82 135.00 139.19 1ucp s PRO 31 Ca 0.60 2.19 -0.10 0.00 0.04 0.00 0.00 61.00 63.73 1ucp s PRO 31 Cb -0.25 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.21 1ucp s PRO 31 CO 0.19 -0.45 1.13 -1.17 0.04 0.00 0.00 177.00 176.74 1ucp s LEU 32 N 0.62 2.72 0.86 -3.56 2.96 -1.26 -5.06 118.68 115.97 1ucp s LEU 32 Ca 0.64 0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 54.85 1ucp s LEU 32 Cb -0.40 -2.85 0.11 0.00 0.50 0.00 0.00 46.19 43.55 1ucp s LEU 32 CO 0.34 -1.98 1.11 -0.13 -1.32 0.00 0.00 176.35 174.37 1ucp s ARG 33 N -5.48 1.53 0.66 1.98 0.52 -1.26 -5.04 118.95 111.86 1ucp s ARG 33 Ca 0.65 0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 56.34 1ucp s ARG 33 Cb -0.09 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.54 1ucp s ARG 33 CO 0.48 -1.99 1.00 -2.00 0.02 0.00 0.00 175.30 172.81 1ucp s GLU 34 N -5.13 2.75 0.00 3.54 -6.30 -1.26 -3.93 118.70 108.37 1ucp s GLU 34 Ca 0.62 0.14 0.00 0.00 -2.50 0.00 0.00 54.97 53.23 1ucp s GLU 34 Cb -0.16 -2.15 0.00 0.00 0.00 0.00 0.00 34.13 31.82 1ucp s GLU 34 CO 0.55 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1ucp n GLY 35 N -2.82 1.58 3.52 -1.50 0.00 -1.26 -4.95 105.19 99.77 1ucp n GLY 35 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 2.38 0.49 1.61 1.51 -1.25 -5.17 117.35 114.48 1ucp s TYR 36 Ca 0.00 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1ucp s TYR 36 Cb 0.00 -1.22 0.09 0.00 -0.11 0.00 0.00 41.96 40.72 1ucp s TYR 36 CO 0.00 0.64 0.68 0.41 -1.11 0.00 0.00 175.55 176.16 1ucp n GLY 37 N -0.74 1.36 2.73 0.71 0.00 -1.26 -4.89 105.19 103.10 1ucp n GLY 37 Ca -0.05 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.68 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 -4.21 -0.05 -0.17 1.61 0.52 -1.26 -4.91 118.95 110.48 1ucp s ARG 38 Ca 0.48 0.31 -0.26 0.00 -0.52 0.00 0.00 55.73 55.74 1ucp s ARG 38 Cb -0.03 -0.38 -0.01 0.00 0.52 0.00 0.00 34.95 35.05 1ucp s ARG 38 CO 0.31 -0.26 0.86 0.42 0.02 0.00 0.00 175.30 176.66 1ucp s ILE 39 N 1.68 4.86 0.63 1.52 1.01 -1.26 -5.04 121.20 124.60 1ucp s ILE 39 Ca -0.01 1.70 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 1ucp s ILE 39 Cb -0.12 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1ucp s ILE 39 CO -0.03 0.01 1.04 -2.16 0.00 0.00 0.00 174.94 173.79 1ucp s PRO 40 N 2.24 3.45 0.26 2.79 0.04 -1.26 -4.53 135.00 138.00 1ucp s PRO 40 Ca 0.39 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1ucp s PRO 40 Cb -0.17 -2.06 0.49 0.00 0.04 0.00 0.00 34.50 32.80 1ucp s PRO 40 CO 0.12 -0.69 1.80 -0.09 0.04 0.00 0.00 177.00 178.19 1ucp h ARG 41 N -0.35 0.77 -0.22 4.56 1.12 -1.91 -1.21 114.38 117.15 1ucp h ARG 41 Ca -0.44 -0.05 0.02 0.00 -1.11 0.00 0.00 59.98 58.40 1ucp h ARG 41 Cb 1.19 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1ucp h ARG 41 CO 0.61 0.51 0.09 0.78 -3.11 0.00 0.00 179.97 178.85 1ucp h GLY 42 N 0.80 0.28 0.99 2.80 0.00 -1.93 -0.11 103.07 105.90 1ucp h GLY 42 Ca 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ucp h GLY 42 CO -0.29 0.05 0.28 0.00 0.00 0.00 0.00 176.54 176.58 1ucp h ALA 43 N 1.12 0.59 -0.45 3.60 0.00 -1.73 -1.41 119.26 120.99 1ucp h ALA 43 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ucp h ALA 43 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1ucp h ALA 43 CO -0.08 0.08 0.20 -0.07 0.00 0.00 0.00 179.25 179.38 1ucp h LEU 44 N 0.62 0.26 -1.08 0.00 3.38 -0.85 -1.09 115.31 116.56 1ucp h LEU 44 Ca 0.17 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1ucp h LEU 44 Cb -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ucp h LEU 44 CO -0.03 0.19 -0.16 -0.07 0.09 0.00 0.00 178.44 178.45 1ucp h LEU 45 N 0.40 0.45 -1.35 1.67 -0.00 -0.61 -2.62 115.31 113.25 1ucp h LEU 45 Ca 0.20 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.88 57.89 1ucp h LEU 45 Cb 0.15 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1ucp h LEU 45 CO -0.17 0.64 -0.32 0.77 -0.00 0.00 0.00 178.44 179.35 1ucp h SER 46 N 0.42 0.00 -4.52 -0.43 4.64 -0.45 -3.44 113.55 109.78 1ucp h SER 46 Ca 0.07 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.91 1ucp h SER 46 Cb 0.53 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.71 1ucp h SER 46 CO 0.03 0.32 0.41 -0.04 -0.87 0.00 0.00 176.83 176.69 1ucp s MET 47 N -4.27 2.54 0.00 4.77 -1.94 -0.49 -5.11 119.30 114.79 1ucp s MET 47 Ca -0.03 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 1ucp s MET 47 Cb 0.15 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.99 1ucp s MET 47 CO 0.71 -1.24 0.00 -0.40 -0.01 0.00 0.00 175.02 174.08 1ucp n ASP 48 N -3.12 1.63 -0.05 3.03 5.75 -1.26 -4.92 116.55 117.60 1ucp n ASP 48 Ca 0.07 -0.14 -0.11 0.00 -0.01 0.00 0.00 54.79 54.60 1ucp n ASP 48 Cb 0.58 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.67 0.23 -0.01 2.12 0.00 -1.93 -1.33 119.26 119.00 1ucp h ALA 49 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ucp h ALA 49 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ucp h ALA 49 CO 0.00 -0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.40 1ucp h LEU 50 N 0.07 0.04 -0.61 0.00 5.85 -1.97 -0.43 115.31 118.26 1ucp h LEU 50 Ca 0.05 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ucp h LEU 50 Cb 0.33 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1ucp h LEU 50 CO 0.00 0.52 0.38 0.44 -0.34 0.00 0.00 178.44 179.44 1ucp h ASP 51 N -0.44 0.62 -0.08 1.25 5.19 -1.96 -1.96 116.42 119.04 1ucp h ASP 51 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1ucp h ASP 51 Cb 0.51 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1ucp h ASP 51 CO 0.00 0.44 0.05 0.25 -3.12 0.00 0.00 179.24 176.85 1ucp h LEU 52 N 0.75 0.07 0.08 1.55 5.85 -1.12 -0.23 115.31 122.27 1ucp h LEU 52 Ca 0.24 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1ucp h LEU 52 Cb 0.01 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1ucp h LEU 52 CO -0.10 0.06 -0.46 0.74 -0.34 0.00 0.00 178.44 178.34 1ucp h THR 53 N 0.10 0.10 -0.59 1.05 2.02 -0.46 0.36 112.91 115.49 1ucp h THR 53 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1ucp h THR 53 Cb -0.00 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1ucp h THR 53 CO -0.02 0.00 0.27 0.44 0.37 0.00 0.00 175.52 176.58 1ucp h ASP 54 N -0.67 0.78 0.52 4.18 5.19 -1.34 -1.54 116.42 123.55 1ucp h ASP 54 Ca 0.02 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1ucp h ASP 54 Cb 0.70 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1ucp h ASP 54 CO -0.28 0.71 -0.33 0.50 -3.12 0.00 0.00 179.24 176.71 1ucp h LYS 55 N 0.81 -0.77 -0.41 3.56 1.63 -0.57 -1.85 116.57 118.96 1ucp h LYS 55 Ca 0.20 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.14 1ucp h LYS 55 Cb 0.14 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 31.86 1ucp h LYS 55 CO -0.02 -0.51 -0.18 1.25 -3.45 0.00 0.00 179.45 176.53 1ucp h LEU 56 N -0.80 -0.61 -0.41 5.20 7.12 -0.26 0.39 115.31 125.94 1ucp h LEU 56 Ca -0.07 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 1ucp h LEU 56 Cb 0.64 0.34 -0.02 0.00 -0.53 0.00 0.00 40.66 41.10 1ucp h LEU 56 CO 0.06 -0.21 0.22 0.58 -0.13 0.00 0.00 178.44 178.96 1ucp h VAL 57 N -0.10 1.16 0.00 1.05 2.07 -1.29 -0.93 116.25 118.21 1ucp h VAL 57 Ca 0.20 -0.41 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 1ucp h VAL 57 Cb 0.40 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1ucp h VAL 57 CO -0.47 0.16 -0.91 -1.28 0.02 0.00 0.00 177.57 175.09 1ucp h SER 58 N 0.52 0.02 0.29 0.57 0.87 -0.49 -2.09 113.55 113.24 1ucp h SER 58 Ca 0.14 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 1ucp h SER 58 Cb 0.07 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1ucp h SER 58 CO -0.02 0.92 -0.70 0.15 -0.53 0.00 0.00 176.83 176.65 1ucp h PHE 59 N 0.01 0.48 0.00 2.24 3.04 -0.15 -3.43 116.94 119.12 1ucp h PHE 59 Ca -0.01 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.73 1ucp h PHE 59 Cb 1.60 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 40.04 1ucp h PHE 59 CO 0.00 0.94 0.00 0.66 -2.02 0.00 0.00 178.31 177.89 1ucp n TYR 60 N -3.84 0.00 -3.62 0.41 4.01 -0.36 -4.81 117.16 108.95 1ucp n TYR 60 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 1ucp n TYR 60 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.69 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 -0.43 0.04 7.72 2.01 -0.79 -5.00 118.68 122.23 1ucp s LEU 61 Ca 0.00 -0.27 -0.28 0.00 0.01 0.00 0.00 54.13 53.60 1ucp s LEU 61 Cb 0.00 2.64 -0.17 0.00 0.01 0.00 0.00 46.19 48.67 1ucp s LEU 61 CO 0.00 -1.12 1.42 -0.33 1.01 0.00 0.00 176.35 177.32 1ucp h GLU 62 N 2.00 -0.56 0.79 1.70 3.07 -1.91 0.75 114.58 120.43 1ucp h GLU 62 Ca -0.27 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1ucp h GLU 62 Cb 1.28 0.13 0.01 0.00 -0.84 0.00 0.00 28.75 29.32 1ucp h GLU 62 CO 0.31 -0.28 -0.40 1.15 -1.40 0.00 0.00 179.01 178.39 1ucp h THR 63 N -0.76 0.18 -0.52 1.13 2.02 -1.98 -2.25 112.91 110.74 1ucp h THR 63 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ucp h THR 63 Cb 0.53 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1ucp h THR 63 CO 0.10 0.00 0.32 0.22 0.37 0.00 0.00 175.52 176.52 1ucp h TYR 64 N -1.09 0.66 -0.88 3.16 3.20 -1.96 -2.58 116.97 117.48 1ucp h TYR 64 Ca -0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1ucp h TYR 64 Cb 0.85 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1ucp h TYR 64 CO -0.04 0.44 0.55 0.78 -1.64 0.00 0.00 178.16 178.26 1ucp h GLY 65 N 0.74 1.26 1.05 1.82 0.00 -0.43 0.16 103.07 107.66 1ucp h GLY 65 Ca 0.19 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1ucp h GLY 65 CO -0.04 0.49 0.19 0.00 0.00 0.00 0.00 176.54 177.19 1ucp h ALA 66 N 1.30 0.91 0.04 3.60 0.00 -1.02 -0.97 119.26 123.12 1ucp h ALA 66 Ca 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ucp h ALA 66 Cb -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1ucp h ALA 66 CO -0.06 0.61 -0.02 1.49 0.00 0.00 0.00 179.25 181.26 1ucp h GLU 67 N 1.03 -0.05 -0.36 0.00 4.81 -1.11 -1.27 114.58 117.62 1ucp h GLU 67 Ca 0.22 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1ucp h GLU 67 Cb 0.33 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 1ucp h GLU 67 CO -0.00 0.16 -0.24 1.25 -0.73 0.00 0.00 179.01 179.45 1ucp h LEU 68 N -0.26 -0.79 0.41 1.64 6.46 -0.64 0.17 115.31 122.30 1ucp h LEU 68 Ca -0.01 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1ucp h LEU 68 Cb 0.24 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1ucp h LEU 68 CO 0.01 -0.26 -0.22 0.74 -0.62 0.00 0.00 178.44 178.09 1ucp h THR 69 N -0.19 0.55 -0.77 1.05 2.02 -1.03 -1.24 112.91 113.31 1ucp h THR 69 Ca 0.18 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1ucp h THR 69 Cb 0.46 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1ucp h THR 69 CO -0.47 0.00 0.50 0.00 0.37 0.00 0.00 175.52 175.92 1ucp h ALA 70 N 0.00 1.62 0.56 6.16 0.00 -0.88 -1.05 119.26 125.67 1ucp h ALA 70 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ucp h ALA 70 Cb 0.46 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ucp h ALA 70 CO 0.07 0.28 -0.27 -0.97 0.00 0.00 0.00 179.25 178.36 1ucp h ASN 71 N 0.86 -0.63 -0.03 0.00 -1.24 -0.12 0.19 115.58 114.61 1ucp h ASN 71 Ca 0.32 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.35 1ucp h ASN 71 Cb 0.17 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 1ucp h ASN 71 CO -0.10 -0.41 -0.07 0.58 -1.29 0.00 0.00 177.43 176.14 1ucp h VAL 72 N -0.81 0.82 -0.40 2.57 2.07 -1.06 -0.44 116.25 119.00 1ucp h VAL 72 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1ucp h VAL 72 Cb 0.60 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1ucp h VAL 72 CO 0.13 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.61 1ucp h LEU 73 N -0.10 -0.25 -1.24 2.57 3.38 -1.10 -0.65 115.31 117.92 1ucp h LEU 73 Ca 0.04 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1ucp h LEU 73 Cb 0.15 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1ucp h LEU 73 CO -0.09 -0.08 0.52 -0.09 0.09 0.00 0.00 178.44 178.79 1ucp h ARG 74 N 0.06 0.97 -0.31 1.13 2.43 -0.36 -1.32 114.38 116.99 1ucp h ARG 74 Ca 0.19 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1ucp h ARG 74 Cb 0.29 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1ucp h ARG 74 CO -0.36 0.64 -0.10 0.22 -1.51 0.00 0.00 179.97 178.87 1ucp h ASP 75 N 1.00 0.49 0.41 -3.80 3.58 0.38 -1.71 116.42 116.77 1ucp h ASP 75 Ca 0.31 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1ucp h ASP 75 Cb -0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1ucp h ASP 75 CO -0.08 0.63 0.00 0.23 -2.88 0.00 0.00 179.24 177.14 1ucp n MET 76 N -4.22 0.14 -0.03 0.28 2.81 -0.52 -4.86 117.12 110.74 1ucp n MET 76 Ca 0.01 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1ucp n MET 76 Cb 0.31 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 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 -0.54 0.40 3.70 3.03 0.00 -0.64 -5.07 105.19 106.05 1ucp n GLY 77 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.32 0.00 0.99 0.20 -1.12 -4.93 118.68 118.14 1ucp s LEU 78 Ca 0.00 1.96 0.00 0.00 0.69 0.00 0.00 54.13 56.78 1ucp s LEU 78 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1ucp s LEU 78 CO 0.00 -0.58 0.00 0.00 -0.29 0.00 0.00 176.35 175.48 1ucp n GLN 79 N 4.78 2.98 0.24 1.98 -0.00 -1.26 -3.31 117.38 122.79 1ucp n GLN 79 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 57.01 1ucp n GLN 79 Cb 0.46 -0.94 -0.05 0.00 -0.00 0.00 0.00 30.24 29.71 1ucp n GLN 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1ucp h GLU 80 N 0.00 -0.60 -0.80 2.61 9.09 -1.99 -2.01 114.58 120.88 1ucp h GLU 80 Ca 0.00 0.04 0.07 0.00 0.05 0.00 0.00 59.36 59.52 1ucp h GLU 80 Cb 0.71 0.14 -0.05 0.00 -1.65 0.00 0.00 28.75 27.89 1ucp h GLU 80 CO 0.00 -0.40 0.52 1.98 0.05 0.00 0.00 179.01 181.17 1ucp h MET 81 N -0.71 0.83 0.09 1.06 -1.53 -1.97 0.37 114.93 113.06 1ucp h MET 81 Ca -0.06 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.16 1ucp h MET 81 Cb 0.47 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 31.32 1ucp h MET 81 CO 0.10 0.55 -0.15 0.00 0.14 0.00 0.00 176.91 177.55 1ucp h ALA 82 N 1.57 -0.25 -0.65 0.39 0.00 -1.80 0.30 119.26 118.81 1ucp h ALA 82 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ucp h ALA 82 Cb 0.26 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ucp h ALA 82 CO -0.12 -0.67 0.29 0.78 0.00 0.00 0.00 179.25 179.53 1ucp h GLY 83 N -0.30 1.03 1.07 0.00 0.00 -0.55 -2.00 103.07 102.31 1ucp h GLY 83 Ca 0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1ucp h GLY 83 CO -0.09 0.50 -0.24 1.46 0.00 0.00 0.00 176.54 178.17 1ucp h GLN 84 N 0.91 0.90 -0.39 4.80 4.20 -0.70 -1.90 115.11 122.93 1ucp h GLN 84 Ca 0.22 -0.41 0.05 0.00 0.06 0.00 0.00 58.65 58.57 1ucp h GLN 84 Cb 0.15 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1ucp h GLN 84 CO -0.02 1.06 0.11 1.25 -0.67 0.00 0.00 178.83 180.56 1ucp h LEU 85 N 0.72 0.09 0.23 1.46 5.85 -0.31 0.24 115.31 123.60 1ucp h LEU 85 Ca 0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ucp h LEU 85 Cb 0.81 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1ucp h LEU 85 CO 0.07 0.09 -0.23 -0.61 -0.34 0.00 0.00 178.44 177.42 1ucp h GLN 86 N 0.26 -0.47 0.00 1.25 4.15 -1.26 -1.74 115.11 117.30 1ucp h GLN 86 Ca 0.18 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1ucp h GLN 86 Cb 0.19 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1ucp h GLN 86 CO -0.21 -0.32 -0.10 0.00 -1.93 0.00 0.00 178.83 176.28 1ucp h ALA 87 N 0.20 1.21 -0.07 3.38 0.00 -0.50 0.13 119.26 123.62 1ucp h ALA 87 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1ucp h ALA 87 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ucp h ALA 87 CO -0.05 0.12 -0.25 0.00 0.00 0.00 0.00 179.25 179.08 1ucp h ALA 88 N 1.90 0.12 0.48 0.00 0.00 -0.36 -1.90 119.26 119.51 1ucp h ALA 88 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ucp h ALA 88 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ucp h ALA 88 CO 0.01 0.12 -0.38 1.15 0.00 0.00 0.00 179.25 180.15 1ucp h THR 89 N -0.21 0.22 -1.39 0.00 2.02 -0.38 -3.43 112.91 109.74 1ucp h THR 89 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1ucp h THR 89 Cb 0.88 0.22 -0.25 0.00 -1.74 0.00 0.00 68.15 67.26 1ucp h THR 89 CO 0.05 0.00 -0.37 -2.28 0.37 0.00 0.00 175.52 173.29 1ucp s HIS 90 N -5.99 -1.28 -2.00 3.16 5.65 0.38 -4.62 115.29 110.60 1ucp s HIS 90 Ca -0.17 1.29 0.16 0.00 0.25 0.00 0.00 55.06 56.58 1ucp s HIS 90 Cb 0.05 0.31 0.95 0.00 -1.18 0.00 0.00 32.58 32.71 1ucp s HIS 90 CO 0.62 -0.82 1.36 0.94 -0.65 0.00 0.00 174.74 176.19