#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 -0.65 0.50 3.03 0.00 -1.26 -5.01 105.19 101.81 1ucp n GLY 2 Ca 0.00 -0.87 0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.35 1.61 2.47 -1.89 -0.40 114.38 115.82 1ucp h ARG 3 Ca 0.00 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 1ucp h ARG 3 Cb 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.23 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 1.42 -0.21 -0.02 0.04 0.00 -1.87 0.14 119.26 118.76 1ucp h ALA 4 Ca 0.49 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1ucp h ALA 4 Cb 2.02 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 20.50 1ucp h ALA 4 CO -0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 179.25 178.51 1ucp h ARG 5 N -0.28 0.04 0.00 0.00 3.08 -1.40 -1.65 114.38 114.18 1ucp h ARG 5 Ca 0.16 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1ucp h ARG 5 Cb 0.54 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1ucp h ARG 5 CO -0.50 0.37 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.23 1ucp h ASP 6 N -0.29 0.00 0.20 7.04 5.19 -1.36 0.10 116.42 127.31 1ucp h ASP 6 Ca 0.01 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.15 1ucp h ASP 6 Cb 0.35 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.89 1ucp h ASP 6 CO 0.00 0.10 -1.17 0.00 -3.12 0.00 0.00 179.24 175.04 1ucp h ALA 7 N 1.90 -0.13 -0.14 3.45 0.00 -0.64 -1.55 119.26 122.16 1ucp h ALA 7 Ca -0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1ucp h ALA 7 Cb 0.47 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ucp h ALA 7 CO 0.01 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.71 1ucp h ILE 8 N -0.09 1.06 0.10 0.00 2.04 -0.74 0.20 117.51 120.07 1ucp h ILE 8 Ca -0.20 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1ucp h ILE 8 Cb 1.93 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1ucp h ILE 8 CO 0.22 0.06 -0.43 0.25 0.00 0.00 0.00 178.15 178.24 1ucp h LEU 9 N 0.16 -1.31 -1.58 1.44 7.12 -0.89 -0.38 115.31 119.86 1ucp h LEU 9 Ca 0.05 0.14 0.03 0.00 0.13 0.00 0.00 57.88 58.22 1ucp h LEU 9 Cb 0.02 0.48 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 1ucp h LEU 9 CO -0.01 -0.46 0.32 0.44 -0.13 0.00 0.00 178.44 178.60 1ucp h ASP 10 N -0.62 0.48 0.56 1.25 3.32 -1.21 -1.22 116.42 118.98 1ucp h ASP 10 Ca -0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1ucp h ASP 10 Cb 0.62 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1ucp h ASP 10 CO -0.24 0.34 -0.27 0.00 -1.72 0.00 0.00 179.24 177.35 1ucp h ALA 11 N 1.72 -0.75 -0.73 3.45 0.00 -0.30 -0.48 119.26 122.18 1ucp h ALA 11 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ucp h ALA 11 Cb 0.07 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ucp h ALA 11 CO -0.05 -0.88 0.44 -0.07 0.00 0.00 0.00 179.25 178.69 1ucp h LEU 12 N -0.82 0.87 -0.53 0.00 -0.00 -0.32 -1.25 115.31 113.26 1ucp h LEU 12 Ca -0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.72 1ucp h LEU 12 Cb 0.60 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1ucp h LEU 12 CO 0.13 0.67 0.21 -0.33 -0.00 0.00 0.00 178.44 179.12 1ucp h GLU 13 N 0.99 0.79 0.00 1.13 4.39 -1.25 -2.12 114.58 118.51 1ucp h GLU 13 Ca 0.26 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1ucp h GLU 13 Cb -0.04 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1ucp h GLU 13 CO -0.05 0.69 0.00 -0.91 -1.16 0.00 0.00 179.01 177.58 1ucp h ASN 14 N 0.71 0.00 -3.85 1.42 2.35 -0.43 -3.43 115.58 112.35 1ucp h ASN 14 Ca 0.18 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.45 1ucp h ASN 14 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1ucp h ASN 14 CO -0.02 0.00 0.19 -0.76 -1.65 0.00 0.00 177.43 175.19 1ucp s LEU 15 N -5.85 4.01 0.58 1.61 1.43 -0.53 -5.07 118.68 114.86 1ucp s LEU 15 Ca -0.02 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1ucp s LEU 15 Cb 0.11 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.12 1ucp s LEU 15 CO 0.43 -0.27 0.80 0.42 0.23 0.00 0.00 176.35 177.97 1ucp s THR 16 N -2.07 2.56 0.36 5.49 -4.23 -1.26 -4.84 115.64 111.65 1ucp s THR 16 Ca 0.57 -0.69 0.09 0.00 -1.18 0.00 0.00 61.69 60.48 1ucp s THR 16 Cb -0.10 -2.88 0.32 0.00 1.34 0.00 0.00 72.50 71.19 1ucp s THR 16 CO 0.16 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.11 1ucp h ALA 17 N -0.00 1.83 -0.16 3.99 0.00 -1.97 0.14 119.26 123.09 1ucp h ALA 17 Ca -0.40 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1ucp h ALA 17 Cb 1.29 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ucp h ALA 17 CO 0.49 -0.07 -0.21 1.49 0.00 0.00 0.00 179.25 180.95 1ucp h GLU 18 N 0.69 0.42 -0.36 0.00 4.57 -1.99 0.50 114.58 118.40 1ucp h GLU 18 Ca 0.45 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.36 1ucp h GLU 18 Cb 0.72 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1ucp h GLU 18 CO -0.20 0.82 0.13 0.93 -1.18 0.00 0.00 179.01 179.50 1ucp h GLU 19 N 0.05 0.56 0.00 1.92 4.39 -1.81 -1.91 114.58 117.77 1ucp h GLU 19 Ca 0.02 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1ucp h GLU 19 Cb 0.77 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1ucp h GLU 19 CO 0.05 0.56 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.33 1ucp h LEU 20 N 0.44 0.00 0.37 1.33 3.38 -0.61 0.12 115.31 120.35 1ucp h LEU 20 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ucp h LEU 20 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ucp h LEU 20 CO -0.01 0.06 -0.18 0.50 0.09 0.00 0.00 178.44 178.90 1ucp h LYS 21 N 0.00 -0.48 -0.48 1.13 3.64 -0.28 0.47 116.57 120.57 1ucp h LYS 21 Ca -0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1ucp h LYS 21 Cb 0.10 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1ucp h LYS 21 CO 0.01 -0.19 0.07 0.87 -2.27 0.00 0.00 179.45 177.93 1ucp h LYS 22 N -0.75 0.19 0.64 1.90 1.79 -0.81 -1.32 116.57 118.21 1ucp h LYS 22 Ca -0.05 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1ucp h LYS 22 Cb 0.51 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1ucp h LYS 22 CO 0.08 0.12 -0.49 0.35 -1.08 0.00 0.00 179.45 178.43 1ucp h PHE 23 N 0.19 -1.35 -0.07 -1.35 3.57 -0.69 0.12 116.94 117.36 1ucp h PHE 23 Ca 0.24 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1ucp h PHE 23 Cb 0.33 0.50 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1ucp h PHE 23 CO -0.25 -0.70 0.07 0.87 -2.23 0.00 0.00 178.31 176.08 1ucp h LYS 24 N -1.10 0.00 0.05 1.11 1.57 -0.63 0.94 116.57 118.51 1ucp h LYS 24 Ca -0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 1ucp h LYS 24 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1ucp h LYS 24 CO 0.02 0.00 -1.16 -0.07 -0.57 0.00 0.00 179.45 177.67 1ucp h LEU 25 N 0.00 0.16 -1.53 2.94 3.38 -1.06 -3.38 115.31 115.83 1ucp h LEU 25 Ca 0.03 -0.73 0.04 0.00 0.09 0.00 0.00 57.88 57.31 1ucp h LEU 25 Cb 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ucp h LEU 25 CO -0.00 1.48 0.37 0.11 0.09 0.00 0.00 178.44 180.49 1ucp h LYS 26 N -0.69 0.59 -0.36 1.13 1.79 -0.29 -0.44 116.57 118.30 1ucp h LYS 26 Ca -0.28 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.26 1ucp h LYS 26 Cb 1.46 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1ucp h LYS 26 CO -0.07 0.39 0.42 -0.07 -1.08 0.00 0.00 179.45 179.04 1ucp h LEU 27 N 0.60 0.00 -2.57 2.94 3.38 -0.99 -2.69 115.31 115.98 1ucp h LEU 27 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1ucp h LEU 27 Cb 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.79 1ucp h LEU 27 CO -0.06 0.00 -0.58 -0.11 0.09 0.00 0.00 178.44 177.78 1ucp n LEU 28 N -3.66 0.98 -0.12 1.67 0.00 -0.30 -4.80 117.00 110.77 1ucp n LEU 28 Ca 0.06 -1.96 -0.25 0.00 0.00 0.00 0.00 56.01 53.86 1ucp n LEU 28 Cb 0.58 -0.13 -0.09 0.00 0.00 0.00 0.00 43.42 43.78 1ucp n LEU 28 CO 0.26 0.53 -1.18 -0.24 0.00 0.00 0.00 177.39 176.77 1ucp n SER 29 N -0.21 1.94 -4.75 1.96 2.88 -0.46 -4.92 113.62 110.06 1ucp n SER 29 Ca 0.07 0.36 -0.40 0.00 -1.33 0.00 0.00 58.87 57.56 1ucp n SER 29 Cb 0.82 -0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.55 3.76 -0.11 2.46 0.11 -1.25 -4.99 120.40 117.82 1ucp s VAL 30 Ca -0.35 1.74 -0.30 0.00 -2.93 0.00 0.00 61.98 60.14 1ucp s VAL 30 Cb 0.12 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 1ucp s VAL 30 CO 0.48 0.40 1.36 -2.16 -3.33 0.00 0.00 175.10 171.85 1ucp s PRO 31 N -1.22 4.24 0.81 1.54 0.04 -1.26 -5.01 135.00 134.14 1ucp s PRO 31 Ca 0.44 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 1ucp s PRO 31 Cb -0.29 -3.77 0.11 0.00 0.04 0.00 0.00 34.50 30.59 1ucp s PRO 31 CO 0.37 -0.70 1.14 -1.17 0.04 0.00 0.00 177.00 176.68 1ucp s LEU 32 N 3.36 2.73 0.71 -3.56 2.96 -1.26 -5.06 118.68 118.56 1ucp s LEU 32 Ca 0.60 0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.78 1ucp s LEU 32 Cb -0.26 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.67 1ucp s LEU 32 CO 0.20 -2.03 1.07 -0.13 -1.32 0.00 0.00 176.35 174.14 1ucp s ARG 33 N -5.50 2.76 0.67 1.98 0.52 -1.26 -5.06 118.95 113.05 1ucp s ARG 33 Ca 0.65 1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 56.79 1ucp s ARG 33 Cb -0.08 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.45 1ucp s ARG 33 CO 0.48 -1.24 1.01 -2.00 0.02 0.00 0.00 175.30 173.57 1ucp s GLU 34 N -5.00 2.69 0.00 3.54 2.56 -1.26 -3.98 118.70 117.26 1ucp s GLU 34 Ca 0.59 0.11 0.00 0.00 0.00 0.00 0.00 54.97 55.67 1ucp s GLU 34 Cb -0.15 -2.15 0.00 0.00 2.00 0.00 0.00 34.13 33.83 1ucp s GLU 34 CO 0.55 -0.98 0.00 0.41 -0.56 0.00 0.00 175.26 174.68 1ucp n GLY 35 N -2.84 2.58 3.84 -1.50 0.00 -1.26 -4.96 105.19 101.05 1ucp n GLY 35 Ca 0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.28 3.07 0.04 1.61 2.02 -1.26 -5.13 117.35 116.42 1ucp s TYR 36 Ca 0.00 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1ucp s TYR 36 Cb 0.00 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1ucp s TYR 36 CO 0.00 0.42 0.04 0.41 -1.57 0.00 0.00 175.55 174.85 1ucp n GLY 37 N -1.25 2.49 2.75 0.71 0.00 -1.26 -4.86 105.19 103.77 1ucp n GLY 37 Ca -0.06 -2.16 -0.20 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.17 0.29 -0.21 1.61 0.52 -1.26 -4.95 118.95 112.79 1ucp s ARG 38 Ca 0.03 0.19 -0.25 0.00 -0.52 0.00 0.00 55.73 55.18 1ucp s ARG 38 Cb -0.00 -0.68 -0.01 0.00 0.52 0.00 0.00 34.95 34.78 1ucp s ARG 38 CO 0.02 -0.27 0.85 0.42 0.02 0.00 0.00 175.30 176.34 1ucp s ILE 39 N 1.78 4.84 0.70 1.52 1.01 -1.26 -5.04 121.20 124.75 1ucp s ILE 39 Ca 0.01 1.63 -0.13 0.00 0.00 0.00 0.00 60.65 62.16 1ucp s ILE 39 Cb -0.13 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.22 1ucp s ILE 39 CO -0.03 -0.04 1.09 -2.16 0.00 0.00 0.00 174.94 173.79 1ucp s PRO 40 N 2.58 2.67 0.37 2.79 0.04 -1.26 -4.70 135.00 137.49 1ucp s PRO 40 Ca 0.37 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.70 1ucp s PRO 40 Cb -0.16 -1.94 0.71 0.00 0.04 0.00 0.00 34.50 33.15 1ucp s PRO 40 CO 0.09 -1.33 1.92 -0.09 0.04 0.00 0.00 177.00 177.63 1ucp h ARG 41 N -0.47 0.41 -0.07 4.56 2.43 -1.93 -0.52 114.38 118.78 1ucp h ARG 41 Ca -0.45 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1ucp h ARG 41 Cb 1.23 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1ucp h ARG 41 CO 0.54 0.45 -0.10 0.78 -1.51 0.00 0.00 179.97 180.13 1ucp h GLY 42 N 0.75 -0.05 0.89 2.80 0.00 -1.93 0.15 103.07 105.67 1ucp h GLY 42 Ca 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ucp h GLY 42 CO 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 176.54 176.52 1ucp h ALA 43 N 0.91 0.23 -0.90 3.60 0.00 -1.76 -1.97 119.26 119.36 1ucp h ALA 43 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ucp h ALA 43 Cb 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ucp h ALA 43 CO -0.15 -0.19 0.58 -0.07 0.00 0.00 0.00 179.25 179.42 1ucp h LEU 44 N 0.14 0.97 -0.13 0.00 3.38 -0.86 0.93 115.31 119.73 1ucp h LEU 44 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ucp h LEU 44 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1ucp h LEU 44 CO -0.01 0.66 0.01 -0.07 0.09 0.00 0.00 178.44 179.13 1ucp h LEU 45 N 1.13 0.22 -1.14 1.67 -0.00 -0.88 -2.93 115.31 113.39 1ucp h LEU 45 Ca 0.36 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1ucp h LEU 45 Cb 0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 1ucp h LEU 45 CO -0.12 0.45 0.00 0.77 -0.00 0.00 0.00 178.44 179.53 1ucp h SER 46 N -0.01 0.00 -3.57 -0.43 4.64 -0.78 -3.43 113.55 109.98 1ucp h SER 46 Ca 0.04 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.89 1ucp h SER 46 Cb 0.33 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.47 1ucp h SER 46 CO 0.00 0.00 0.16 -0.04 -0.87 0.00 0.00 176.83 176.08 1ucp s MET 47 N -3.49 2.80 0.00 4.77 -1.94 0.27 -5.08 119.30 116.63 1ucp s MET 47 Ca 0.02 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 1ucp s MET 47 Cb 0.09 -2.28 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1ucp s MET 47 CO 0.40 -0.76 0.00 -0.40 -0.01 0.00 0.00 175.02 174.25 1ucp n ASP 48 N -2.60 1.34 0.00 3.03 5.68 -1.26 -4.92 116.55 117.83 1ucp n ASP 48 Ca 0.05 -0.75 -0.12 0.00 -0.50 0.00 0.00 54.79 53.47 1ucp n ASP 48 Cb 0.58 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.49 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 0.06 -0.25 2.12 0.00 -1.94 0.17 119.26 120.42 1ucp h ALA 49 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ucp h ALA 49 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ucp h ALA 49 CO 0.00 -0.36 -0.30 1.25 0.00 0.00 0.00 179.25 179.84 1ucp h LEU 50 N -0.07 0.69 -0.28 0.00 6.46 -1.98 -0.07 115.31 120.06 1ucp h LEU 50 Ca 0.02 -0.49 0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1ucp h LEU 50 Cb 0.15 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1ucp h LEU 50 CO -0.00 1.04 0.16 0.44 -0.62 0.00 0.00 178.44 179.46 1ucp h ASP 51 N 0.35 0.25 -0.11 1.25 5.19 -1.96 -1.98 116.42 119.40 1ucp h ASP 51 Ca 0.03 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1ucp h ASP 51 Cb 0.87 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 1ucp h ASP 51 CO 0.07 0.18 -0.03 0.25 -3.12 0.00 0.00 179.24 176.59 1ucp h LEU 52 N 0.32 -0.12 -0.01 1.55 5.85 -0.53 -0.05 115.31 122.32 1ucp h LEU 52 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ucp h LEU 52 Cb 0.01 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1ucp h LEU 52 CO -0.06 -0.05 -0.20 0.74 -0.34 0.00 0.00 178.44 178.53 1ucp h THR 53 N -0.01 0.53 -0.53 1.05 2.02 -0.53 0.42 112.91 115.86 1ucp h THR 53 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1ucp h THR 53 Cb 0.10 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1ucp h THR 53 CO -0.12 0.00 0.31 0.44 0.37 0.00 0.00 175.52 176.52 1ucp h ASP 54 N -0.31 0.50 0.45 4.18 5.19 -1.30 -1.82 116.42 123.31 1ucp h ASP 54 Ca 0.06 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1ucp h ASP 54 Cb 0.39 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1ucp h ASP 54 CO -0.19 0.35 -0.22 0.50 -3.12 0.00 0.00 179.24 176.56 1ucp h LYS 55 N 0.62 -0.59 -0.48 3.56 1.63 0.06 -1.83 116.57 119.54 1ucp h LYS 55 Ca 0.21 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.15 1ucp h LYS 55 Cb 0.03 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 31.70 1ucp h LYS 55 CO -0.10 -0.39 -0.14 1.25 -3.45 0.00 0.00 179.45 176.62 1ucp h LEU 56 N -0.72 -0.50 0.24 5.20 7.12 -0.28 0.24 115.31 126.60 1ucp h LEU 56 Ca -0.06 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 1ucp h LEU 56 Cb 0.47 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1ucp h LEU 56 CO 0.10 -0.18 -0.11 0.58 -0.13 0.00 0.00 178.44 178.70 1ucp h VAL 57 N -0.02 0.82 -0.71 1.05 2.07 -1.38 -1.07 116.25 117.00 1ucp h VAL 57 Ca 0.23 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1ucp h VAL 57 Cb 0.37 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1ucp h VAL 57 CO -0.50 0.09 0.30 -1.28 0.02 0.00 0.00 177.57 176.19 1ucp h SER 58 N -0.53 0.97 0.29 0.57 0.87 -0.82 -2.18 113.55 112.71 1ucp h SER 58 Ca -0.03 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.24 1ucp h SER 58 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1ucp h SER 58 CO 0.05 0.86 -0.50 0.15 -0.53 0.00 0.00 176.83 176.86 1ucp h PHE 59 N 1.01 0.30 0.00 2.24 3.57 -0.54 -3.42 116.94 120.10 1ucp h PHE 59 Ca 0.24 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ucp h PHE 59 Cb 0.19 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ucp h PHE 59 CO 0.01 0.70 0.00 0.66 -2.23 0.00 0.00 178.31 177.45 1ucp n TYR 60 N -3.95 0.00 -3.80 0.41 4.01 -0.41 -4.72 117.16 108.70 1ucp n TYR 60 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 1ucp n TYR 60 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.57 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 -0.18 0.02 7.72 2.01 -0.84 -4.96 118.68 122.45 1ucp s LEU 61 Ca 0.00 -0.52 -0.12 0.00 0.01 0.00 0.00 54.13 53.49 1ucp s LEU 61 Cb 0.00 2.35 -0.07 0.00 0.01 0.00 0.00 46.19 48.48 1ucp s LEU 61 CO 0.00 -1.08 1.08 -0.33 1.01 0.00 0.00 176.35 177.03 1ucp h GLU 62 N 2.00 -0.43 -0.20 1.70 3.07 -1.92 -0.00 114.58 118.80 1ucp h GLU 62 Ca -0.23 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 1ucp h GLU 62 Cb 1.24 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.24 1ucp h GLU 62 CO 0.26 -0.29 0.01 1.15 -1.40 0.00 0.00 179.01 178.75 1ucp h THR 63 N -0.48 1.24 -0.01 1.13 2.02 -1.96 -0.92 112.91 113.93 1ucp h THR 63 Ca -0.05 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1ucp h THR 63 Cb 0.34 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1ucp h THR 63 CO 0.07 0.25 -0.15 0.22 0.37 0.00 0.00 175.52 176.29 1ucp h TYR 64 N 0.11 0.01 -0.31 3.16 3.20 -1.96 0.33 116.97 121.51 1ucp h TYR 64 Ca 0.06 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1ucp h TYR 64 Cb 0.37 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1ucp h TYR 64 CO 0.03 0.16 0.05 0.78 -1.64 0.00 0.00 178.16 177.54 1ucp h GLY 65 N 0.47 0.56 1.04 1.82 0.00 -0.45 0.11 103.07 106.62 1ucp h GLY 65 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1ucp h GLY 65 CO 0.02 0.35 0.18 0.00 0.00 0.00 0.00 176.54 177.08 1ucp h ALA 66 N 0.89 0.88 0.43 3.60 0.00 -0.51 -0.48 119.26 124.06 1ucp h ALA 66 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ucp h ALA 66 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ucp h ALA 66 CO 0.01 0.58 -0.27 1.49 0.00 0.00 0.00 179.25 181.06 1ucp h GLU 67 N 0.98 -0.64 -0.43 0.00 4.81 -0.81 -0.22 114.58 118.27 1ucp h GLU 67 Ca 0.21 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.56 1ucp h GLU 67 Cb 0.34 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 1ucp h GLU 67 CO -0.00 -0.43 -0.39 1.25 -0.73 0.00 0.00 179.01 178.72 1ucp h LEU 68 N -0.66 -1.29 0.43 1.64 6.46 -0.65 0.20 115.31 121.44 1ucp h LEU 68 Ca -0.05 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1ucp h LEU 68 Cb 0.55 0.58 -0.02 0.00 -0.73 0.00 0.00 40.66 41.04 1ucp h LEU 68 CO 0.04 -0.35 -0.37 0.74 -0.62 0.00 0.00 178.44 177.89 1ucp h THR 69 N -0.28 0.25 0.00 1.05 2.02 -0.87 -0.98 112.91 114.10 1ucp h THR 69 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1ucp h THR 69 Cb 0.57 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1ucp h THR 69 CO -0.58 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.23 1ucp h ALA 70 N -0.39 1.44 0.06 6.16 0.00 -0.64 -0.97 119.26 124.92 1ucp h ALA 70 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ucp h ALA 70 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ucp h ALA 70 CO -0.03 0.10 -0.03 -0.97 0.00 0.00 0.00 179.25 178.33 1ucp h ASN 71 N 0.00 -0.07 -0.46 0.00 -1.24 0.11 0.38 115.58 114.31 1ucp h ASN 71 Ca -0.00 -0.49 0.04 0.00 0.71 0.00 0.00 56.30 56.57 1ucp h ASN 71 Cb 0.20 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 1ucp h ASN 71 CO 0.01 0.48 0.22 0.58 -1.29 0.00 0.00 177.43 177.42 1ucp h VAL 72 N -0.64 0.94 0.08 2.57 2.07 -0.92 0.79 116.25 121.14 1ucp h VAL 72 Ca -0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ucp h VAL 72 Cb 0.55 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ucp h VAL 72 CO 0.01 0.08 -0.04 -0.07 0.02 0.00 0.00 177.57 177.57 1ucp h LEU 73 N 0.43 -0.09 -0.69 2.57 3.38 -1.19 -0.21 115.31 119.51 1ucp h LEU 73 Ca 0.20 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.30 1ucp h LEU 73 Cb 0.13 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1ucp h LEU 73 CO -0.16 -0.06 0.24 -0.09 0.09 0.00 0.00 178.44 178.46 1ucp h ARG 74 N -0.11 0.38 -0.16 1.13 2.43 -0.68 -1.73 114.38 115.63 1ucp h ARG 74 Ca -0.01 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ucp h ARG 74 Cb 0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ucp h ARG 74 CO 0.02 0.25 0.09 0.22 -1.51 0.00 0.00 179.97 179.04 1ucp h ASP 75 N 0.39 0.15 0.00 -3.80 1.82 -0.26 -1.68 116.42 113.05 1ucp h ASP 75 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1ucp h ASP 75 Cb 0.54 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1ucp h ASP 75 CO -0.39 0.11 0.13 0.24 -1.61 0.00 0.00 179.24 177.73 1ucp h MET 76 N 0.20 0.00 0.00 0.28 2.86 -0.17 -3.45 114.93 114.65 1ucp h MET 76 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1ucp h MET 76 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1ucp h MET 76 CO -0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.35 1ucp n GLY 77 N -1.23 0.44 3.70 8.32 0.00 -0.63 -5.07 105.19 110.71 1ucp n GLY 77 Ca -0.02 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 4.32 -0.00 0.99 0.20 -0.93 -4.93 118.68 118.33 1ucp s LEU 78 Ca 0.00 1.95 0.00 0.00 0.69 0.00 0.00 54.13 56.77 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 4.80 2.01 0.17 1.98 10.64 -1.26 -2.92 117.38 132.79 1ucp n GLN 79 Ca 0.11 -0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.21 1ucp n GLN 79 Cb 0.46 -1.00 -0.03 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 -0.42 -0.76 2.61 9.09 -1.98 0.08 114.58 123.20 1ucp h GLU 80 Ca -0.00 0.03 0.02 0.00 0.05 0.00 0.00 59.36 59.46 1ucp h GLU 80 Cb 0.51 0.09 -0.04 0.00 -1.65 0.00 0.00 28.75 27.66 1ucp h GLU 80 CO 0.00 -0.28 0.49 1.98 0.05 0.00 0.00 179.01 181.25 1ucp h MET 81 N -0.47 0.94 -0.82 1.06 1.85 -1.98 -1.22 114.93 114.28 1ucp h MET 81 Ca -0.04 -0.06 0.08 0.00 -0.61 0.00 0.00 59.70 59.07 1ucp h MET 81 Cb 0.33 -0.21 -0.07 0.00 0.43 0.00 0.00 31.60 32.08 1ucp h MET 81 CO 0.07 0.62 0.48 0.00 -0.40 0.00 0.00 176.91 177.68 1ucp h ALA 82 N 1.31 1.15 -0.10 0.39 0.00 -1.79 0.25 119.26 120.46 1ucp h ALA 82 Ca 0.30 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1ucp h ALA 82 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ucp h ALA 82 CO -0.10 0.13 -0.40 0.78 0.00 0.00 0.00 179.25 179.66 1ucp h GLY 83 N 0.82 0.50 1.36 0.00 0.00 -0.56 -1.77 103.07 103.42 1ucp h GLY 83 Ca 0.38 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ucp h GLY 83 CO -0.23 0.61 0.37 1.46 0.00 0.00 0.00 176.54 178.75 1ucp h GLN 84 N 0.03 0.85 -0.02 4.80 4.20 -0.68 0.48 115.11 124.77 1ucp h GLN 84 Ca -0.02 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1ucp h GLN 84 Cb 1.04 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1ucp h GLN 84 CO 0.08 0.61 -0.00 1.25 -0.67 0.00 0.00 178.83 180.10 1ucp h LEU 85 N 0.87 0.03 -0.56 1.46 5.85 -0.53 0.23 115.31 122.65 1ucp h LEU 85 Ca 0.23 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1ucp h LEU 85 Cb -0.02 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1ucp h LEU 85 CO -0.04 0.35 0.19 -0.61 -0.34 0.00 0.00 178.44 177.99 1ucp h GLN 86 N -0.28 0.86 -0.53 1.25 5.75 -1.06 -1.47 115.11 119.64 1ucp h GLN 86 Ca 0.01 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1ucp h GLN 86 Cb 0.33 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1ucp h GLN 86 CO 0.00 0.77 0.20 0.00 -2.65 0.00 0.00 178.83 177.15 1ucp h ALA 87 N 1.05 0.69 -0.06 3.38 0.00 -0.85 -1.96 119.26 121.51 1ucp h ALA 87 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ucp h ALA 87 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ucp h ALA 87 CO -0.01 0.32 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 1ucp h ALA 88 N 1.05 0.05 0.00 0.00 0.00 -0.29 -1.24 119.26 118.82 1ucp h ALA 88 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ucp h ALA 88 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ucp h ALA 88 CO -0.01 -0.48 0.00 2.41 0.00 0.00 0.00 179.25 181.17 1ucp n THR 89 N -5.10 0.34 0.70 0.00 -1.04 -0.57 -3.43 114.28 105.17 1ucp n THR 89 Ca -0.06 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1ucp n THR 89 Cb 0.05 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1ucp n THR 89 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1ucp n HIS 90 N -1.20 0.00 -0.56 -1.42 -0.00 -0.47 -4.83 115.22 106.74 1ucp n HIS 90 Ca 0.10 -0.45 0.00 0.00 0.46 0.00 0.00 57.72 57.83 1ucp n HIS 90 Cb 0.12 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.74 1ucp n HIS 90 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74