#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puz n MET 2 N 0.00 0.00 -2.96 0.03 -0.00 -1.26 -5.16 117.12 107.76 1puz n MET 2 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.70 57.45 1puz n MET 2 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 33.22 33.22 1puz n MET 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1puz s VAL 3 N 0.00 4.86 -0.30 3.17 1.01 -1.26 -5.09 120.40 122.79 1puz s VAL 3 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1puz s VAL 3 Cb 0.00 -3.82 0.17 0.00 0.00 0.00 0.00 36.38 32.74 1puz s VAL 3 CO 0.00 -0.67 1.08 0.12 0.00 0.00 0.00 175.10 175.62 1puz s PHE 4 N -2.56 -0.48 0.17 5.22 2.19 -1.26 -4.96 117.98 116.29 1puz s PHE 4 Ca 0.45 0.86 -0.24 0.00 0.33 0.00 0.00 56.93 58.33 1puz s PHE 4 Cb -0.10 0.29 0.07 0.00 -1.31 0.00 0.00 43.02 41.97 1puz s PHE 4 CO 0.41 -0.24 1.00 -0.51 1.83 0.00 0.00 175.22 177.71 1puz s ASP 5 N 2.14 -0.10 0.40 6.13 1.11 -1.26 -4.96 116.67 120.13 1puz s ASP 5 Ca -0.03 -0.52 0.25 0.00 0.18 0.00 0.00 52.55 52.43 1puz s ASP 5 Cb -0.04 0.49 1.39 0.00 1.07 0.00 0.00 42.92 45.82 1puz s ASP 5 CO -0.16 -0.94 1.59 0.44 1.18 0.00 0.00 175.17 177.28 1puz h ASP 6 N 2.00 0.29 0.16 0.27 3.32 -2.02 1.34 116.42 121.78 1puz h ASP 6 Ca -0.26 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1puz h ASP 6 Cb 1.23 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1puz h ASP 6 CO 0.30 -0.33 -0.15 0.40 -1.72 0.00 0.00 179.24 177.74 1puz h ILE 7 N 0.04 0.66 -0.73 0.35 5.03 -1.97 0.33 117.51 121.21 1puz h ILE 7 Ca 0.85 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 65.74 1puz h ILE 7 Cb 2.43 0.66 -0.14 0.00 -3.03 0.00 0.00 36.82 36.75 1puz h ILE 7 CO -0.62 0.00 -0.13 0.00 -0.68 0.00 0.00 178.15 176.72 1puz h ALA 8 N 0.46 0.57 0.10 1.87 0.00 0.14 1.65 119.26 124.06 1puz h ALA 8 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1puz h ALA 8 Cb 0.32 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1puz h ALA 8 CO -0.03 -0.42 -0.05 0.87 0.00 0.00 0.00 179.25 179.62 1puz h LYS 9 N 0.03 -0.14 -0.84 0.00 6.56 -0.96 -2.20 116.57 119.02 1puz h LYS 9 Ca 0.37 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 60.07 1puz h LYS 9 Cb 0.59 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.21 1puz h LYS 9 CO -0.72 0.06 0.47 -0.09 -2.06 0.00 0.00 179.45 177.10 1puz h ARG 10 N -0.31 0.75 -0.84 3.15 2.43 0.23 0.19 114.38 119.99 1puz h ARG 10 Ca -0.01 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1puz h ARG 10 Cb 0.25 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1puz h ARG 10 CO 0.02 0.50 0.50 -0.22 -1.51 0.00 0.00 179.97 179.26 1puz h LYS 11 N 0.77 0.84 -0.50 0.20 3.64 0.26 0.75 116.57 122.53 1puz h LYS 11 Ca 0.41 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.84 1puz h LYS 11 Cb 0.42 -0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 1puz h LYS 11 CO -0.27 0.56 -0.25 0.82 -2.27 0.00 0.00 179.45 178.04 1puz h ILE 12 N 0.87 0.30 -0.14 2.00 5.03 -0.33 1.70 117.51 126.93 1puz h ILE 12 Ca 0.39 0.00 -0.21 0.00 -0.12 0.00 0.00 64.86 64.92 1puz h ILE 12 Cb 0.29 0.30 0.01 0.00 -3.03 0.00 0.00 36.82 34.39 1puz h ILE 12 CO -0.22 0.00 -0.75 -0.09 -0.68 0.00 0.00 178.15 176.41 1puz h ARG 13 N -0.14 0.76 0.00 2.37 2.43 -1.17 -2.73 114.38 115.90 1puz h ARG 13 Ca 0.23 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1puz h ARG 13 Cb 0.50 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1puz h ARG 13 CO -0.58 1.23 0.00 0.35 -1.51 0.00 0.00 179.97 179.46 1puz h PHE 14 N 0.48 0.00 0.10 2.20 3.57 0.19 -2.48 116.94 121.01 1puz h PHE 14 Ca -0.05 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.20 1puz h PHE 14 Cb 1.38 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 1puz h PHE 14 CO 0.09 0.00 -1.28 1.96 -2.23 0.00 0.00 178.31 176.85 1puz h GLN 15 N 0.00 0.22 0.00 1.11 1.08 0.27 -3.47 115.11 114.31 1puz h GLN 15 Ca 0.00 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1puz h GLN 15 Cb 0.19 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1puz h GLN 15 CO 0.00 1.18 0.00 0.25 -0.95 0.00 0.00 178.83 179.31 1puz n THR 16 N -4.01 0.00 -3.65 -0.54 -2.24 -0.93 -4.83 114.28 98.07 1puz n THR 16 Ca -0.24 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1puz n THR 16 Cb 0.86 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 1puz n THR 16 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1puz s ARG 17 N -2.00 0.01 -0.18 -0.78 3.52 -1.26 -5.02 118.95 113.24 1puz s ARG 17 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 55.73 55.59 1puz s ARG 17 Cb 0.00 0.00 0.06 0.00 -1.56 0.00 0.00 34.95 33.46 1puz s ARG 17 CO 0.00 -0.00 2.29 2.89 -0.81 0.00 0.00 175.30 179.67 1puz n ARG 18 N 0.92 1.61 -0.20 5.12 1.85 -1.26 -4.50 116.66 120.21 1puz n ARG 18 Ca -0.04 -1.04 0.29 0.00 -1.00 0.00 0.00 57.85 56.06 1puz n ARG 18 Cb 0.58 -1.51 0.72 0.00 -1.05 0.00 0.00 32.46 31.20 1puz n ARG 18 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1puz h GLY 19 N 3.15 0.05 -2.46 2.89 0.00 -1.95 -3.42 103.07 101.34 1puz h GLY 19 Ca 0.19 -0.01 -0.39 0.00 0.00 0.00 0.00 47.33 47.12 1puz h GLY 19 CO 0.44 -0.00 -0.67 1.08 0.00 0.00 0.00 176.54 177.39 1puz s LEU 20 N -8.56 2.26 0.00 3.11 2.01 -1.26 -4.85 118.68 111.39 1puz s LEU 20 Ca -0.05 -1.19 0.00 0.00 0.01 0.00 0.00 54.13 52.90 1puz s LEU 20 Cb 0.22 -0.32 0.00 0.00 0.01 0.00 0.00 46.19 46.09 1puz s LEU 20 CO 0.78 -0.47 0.40 -0.11 1.01 0.00 0.00 176.35 177.96 1puz n LEU 21 N -0.41 0.59 -0.31 1.79 7.94 -1.26 -0.67 117.00 124.67 1puz n LEU 21 Ca -0.06 0.41 0.14 0.00 -1.11 0.00 0.00 56.01 55.39 1puz n LEU 21 Cb 0.63 -0.00 0.30 0.00 0.53 0.00 0.00 43.42 44.88 1puz n LEU 21 CO 0.37 -0.00 0.89 -0.08 -1.11 0.00 0.00 177.39 177.45 1puz h GLU 22 N 0.00 0.11 0.08 1.96 4.57 -1.99 0.25 114.58 119.56 1puz h GLU 22 Ca 0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1puz h GLU 22 Cb 0.00 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 1puz h GLU 22 CO 0.00 0.07 -0.43 1.25 -1.18 0.00 0.00 179.01 178.72 1puz h LEU 23 N 0.11 -1.29 -1.06 1.64 7.12 -1.95 1.63 115.31 121.51 1puz h LEU 23 Ca 0.57 0.15 0.30 0.00 0.13 0.00 0.00 57.88 59.03 1puz h LEU 23 Cb 1.19 0.49 -0.14 0.00 -0.53 0.00 0.00 40.66 41.68 1puz h LEU 23 CO -0.75 -0.49 0.61 -0.78 -0.13 0.00 0.00 178.44 176.89 1puz h ASP 24 N -0.64 0.54 -0.03 1.25 -0.00 0.18 0.57 116.42 118.29 1puz h ASP 24 Ca 0.03 0.16 -0.14 0.00 -0.00 0.00 0.00 57.03 57.08 1puz h ASP 24 Cb 0.68 0.09 0.01 0.00 -0.00 0.00 0.00 39.33 40.12 1puz h ASP 24 CO -0.27 -0.05 -0.53 -0.07 -0.00 0.00 0.00 179.24 178.32 1puz h LEU 25 N 0.39 0.52 -0.43 2.28 3.38 -0.07 -3.20 115.31 118.18 1puz h LEU 25 Ca 0.70 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1puz h LEU 25 Cb 1.59 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 1puz h LEU 25 CO -0.53 1.17 -0.48 0.40 0.09 0.00 0.00 178.44 179.09 1puz h ILE 26 N -0.08 0.00 0.00 1.22 2.04 0.76 1.49 117.51 122.94 1puz h ILE 26 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1puz h ILE 26 Cb 1.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1puz h ILE 26 CO 0.11 0.00 0.30 -0.26 0.00 0.00 0.00 178.15 178.30 1puz h PHE 27 N -0.28 0.00 0.23 1.37 0.04 -1.22 0.73 116.94 117.81 1puz h PHE 27 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1puz h PHE 27 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1puz h PHE 27 CO -0.76 0.00 -0.11 0.78 -0.60 0.00 0.00 178.31 177.62 1puz h GLY 28 N 0.00 -0.32 0.18 -1.45 0.00 0.21 -3.13 103.07 98.55 1puz h GLY 28 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 1puz h GLY 28 CO 0.00 -0.12 -0.90 3.21 0.00 0.00 0.00 176.54 178.74 1puz h ARG 29 N -0.78 0.08 -0.29 4.80 2.47 -0.61 -3.30 114.38 116.75 1puz h ARG 29 Ca -0.03 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.58 1puz h ARG 29 Cb 0.51 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 1puz h ARG 29 CO 0.05 1.07 -0.17 0.34 0.56 0.00 0.00 179.97 181.82 1puz n PHE 30 N -4.33 -0.13 -0.13 3.04 7.35 0.24 -0.76 117.46 122.74 1puz n PHE 30 Ca -0.23 0.36 -0.06 0.00 -0.76 0.00 0.00 57.45 56.77 1puz n PHE 30 Cb 0.69 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 40.01 1puz n PHE 30 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1puz h MET 31 N 0.00 -0.19 -1.09 -4.13 4.05 -1.73 0.65 114.93 112.50 1puz h MET 31 Ca 0.05 0.01 0.32 0.00 -0.28 0.00 0.00 59.70 59.80 1puz h MET 31 Cb 0.12 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1puz h MET 31 CO -0.27 -0.13 1.00 1.49 0.23 0.00 0.00 176.91 179.23 1puz h GLU 32 N -0.19 0.00 0.00 0.39 4.81 -1.02 1.38 114.58 119.94 1puz h GLU 32 Ca 0.19 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.15 1puz h GLU 32 Cb 0.51 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 1puz h GLU 32 CO -0.54 0.00 -1.56 1.17 -0.73 0.00 0.00 179.01 177.35 1puz n LYS 33 N -3.67 0.57 0.00 1.92 3.00 0.18 -3.91 118.16 116.24 1puz n LYS 33 Ca 0.24 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 1puz n LYS 33 Cb 1.34 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 34.70 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1puz n GLU 34 N -4.39 0.00 -0.17 1.64 4.71 0.13 -3.69 120.64 118.87 1puz n GLU 34 Ca -0.37 0.32 0.27 0.00 -0.01 0.00 0.00 57.16 57.37 1puz n GLU 34 Cb 0.71 -0.92 0.45 0.00 -1.01 0.00 0.00 31.44 30.68 1puz n GLU 34 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1puz h PHE 35 N 0.00 0.00 -0.61 -0.32 3.04 0.15 -1.79 116.94 117.40 1puz h PHE 35 Ca 0.00 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.00 1puz h PHE 35 Cb 0.00 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.44 1puz h PHE 35 CO 0.03 0.00 -0.36 -1.91 -2.02 0.00 0.00 178.31 174.05 1puz n GLU 36 N -3.26 -0.27 -2.82 1.11 4.07 -0.68 -3.32 120.64 115.46 1puz n GLU 36 Ca 0.21 1.04 -0.11 0.00 -0.06 0.00 0.00 57.16 58.24 1puz n GLU 36 Cb 1.44 -1.53 0.04 0.00 -0.06 0.00 0.00 31.44 31.33 1puz n GLU 36 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1puz n HIS 37 N -4.56 -0.41 0.00 4.31 -0.00 -0.69 -5.09 115.22 108.78 1puz n HIS 37 Ca 0.01 -2.80 0.00 0.00 0.46 0.00 0.00 57.72 55.40 1puz n HIS 37 Cb 0.16 0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1puz n HIS 37 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1puz n LEU 38 N -0.02 0.00 -3.48 0.27 4.77 -1.10 -5.07 117.00 112.37 1puz n LEU 38 Ca 0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1puz n LEU 38 Cb 0.77 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1puz n LEU 38 CO 0.15 -1.19 0.51 -0.44 -1.33 0.00 0.00 177.39 175.09 1puz s SER 39 N -1.88 -0.53 0.26 -1.43 0.01 -1.26 -5.00 113.70 103.87 1puz s SER 39 Ca 0.00 0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.42 1puz s SER 39 Cb 0.00 0.51 0.41 0.00 0.21 0.00 0.00 66.02 67.14 1puz s SER 39 CO 0.00 -0.73 1.48 0.47 0.41 0.00 0.00 173.24 174.88 1puz n ASP 40 N 0.13 -0.39 -0.02 2.44 9.92 -1.26 0.19 116.55 127.57 1puz n ASP 40 Ca -0.15 1.64 -0.11 0.00 -0.53 0.00 0.00 54.79 55.64 1puz n ASP 40 Cb 0.61 -0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 40.57 1puz n ASP 40 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1puz h LYS 41 N 0.00 -0.42 -0.71 -1.24 3.64 -2.00 -0.58 116.57 115.26 1puz h LYS 41 Ca 0.44 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.81 1puz h LYS 41 Cb 0.68 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1puz h LYS 41 CO -0.98 -0.28 0.29 0.93 -2.27 0.00 0.00 179.45 177.14 1puz h GLU 42 N -0.43 1.06 -0.88 1.90 5.08 0.23 -2.46 114.58 119.08 1puz h GLU 42 Ca 0.09 -0.19 0.23 0.00 -1.00 0.00 0.00 59.36 58.49 1puz h GLU 42 Cb 0.59 -0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 1puz h GLU 42 CO -0.41 0.88 0.31 -0.07 -1.00 0.00 0.00 179.01 178.72 1puz h LEU 43 N 1.02 0.15 0.63 1.33 3.38 0.34 0.65 115.31 122.81 1puz h LEU 43 Ca 0.24 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 1puz h LEU 43 Cb 0.21 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1puz h LEU 43 CO -0.02 -0.10 -0.49 0.28 0.09 0.00 0.00 178.44 178.21 1puz h SER 44 N 0.28 -1.29 0.62 -0.43 0.02 -0.67 0.21 113.55 112.30 1puz h SER 44 Ca 0.56 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.57 1puz h SER 44 Cb 1.11 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1puz h SER 44 CO -0.60 -0.70 -0.43 -0.33 -1.14 0.00 0.00 176.83 173.63 1puz h GLU 45 N -1.08 -0.96 -0.64 3.45 5.08 -0.98 -2.42 114.58 117.02 1puz h GLU 45 Ca -0.08 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1puz h GLU 45 Cb 0.91 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.29 1puz h GLU 45 CO 0.02 -0.64 -0.50 0.74 -1.00 0.00 0.00 179.01 177.63 1puz h PHE 46 N -1.00 -1.56 -0.87 4.33 -1.00 0.22 1.62 116.94 118.68 1puz h PHE 46 Ca -0.08 0.09 0.25 0.00 2.81 0.00 0.00 57.97 61.04 1puz h PHE 46 Cb 0.82 0.77 -0.03 0.00 3.61 0.00 0.00 35.95 41.11 1puz h PHE 46 CO -0.12 -0.36 0.87 1.03 -1.61 0.00 0.00 178.31 178.12 1puz h SER 47 N -0.15 0.00 0.00 2.17 0.87 -0.51 0.82 113.55 116.75 1puz h SER 47 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1puz h SER 47 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1puz h SER 47 CO -0.68 0.00 -0.01 -0.08 -0.53 0.00 0.00 176.83 175.53 1puz h GLU 48 N 0.00 0.00 -1.39 2.24 4.81 0.26 -2.97 114.58 117.52 1puz h GLU 48 Ca 0.41 0.00 0.42 0.00 -0.13 0.00 0.00 59.36 60.06 1puz h GLU 48 Cb 2.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.43 1puz h GLU 48 CO -0.00 0.00 0.96 0.82 -0.73 0.00 0.00 179.01 180.05 1puz h ILE 49 N -0.04 0.24 -0.18 2.32 2.04 0.64 1.41 117.51 123.93 1puz h ILE 49 Ca 0.00 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1puz h ILE 49 Cb 0.01 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1puz h ILE 49 CO 0.00 0.02 -0.08 -0.07 0.00 0.00 0.00 178.15 178.02 1puz h LEU 50 N 0.09 0.38 -1.45 1.44 3.38 0.49 -2.88 115.31 116.75 1puz h LEU 50 Ca 0.74 -0.40 0.47 0.00 0.09 0.00 0.00 57.88 58.78 1puz h LEU 50 Cb 2.61 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 43.14 1puz h LEU 50 CO -0.19 0.70 0.98 -0.62 0.09 0.00 0.00 178.44 179.39 1puz n GLU 51 N -4.61 -0.02 -2.10 1.13 -0.58 0.48 -4.33 120.64 110.61 1puz n GLU 51 Ca -0.05 1.12 -0.34 0.00 -0.42 0.00 0.00 57.16 57.47 1puz n GLU 51 Cb 0.30 -2.31 0.01 0.00 -0.57 0.00 0.00 31.44 28.88 1puz n GLU 51 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1puz s PHE 52 N -5.01 2.73 0.80 -0.32 0.08 -1.09 -5.04 117.98 110.14 1puz s PHE 52 Ca -0.06 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.43 1puz s PHE 52 Cb 0.28 -3.19 0.10 0.00 -0.57 0.00 0.00 43.02 39.64 1puz s PHE 52 CO 0.78 -1.46 1.15 -0.65 -0.10 0.00 0.00 175.22 174.94 1puz s GLN 53 N -3.66 1.76 0.03 0.44 -0.21 -1.26 -4.83 119.66 111.94 1puz s GLN 53 Ca 0.69 -0.16 -0.32 0.00 0.02 0.00 0.00 55.36 55.58 1puz s GLN 53 Cb -0.21 -2.02 -0.18 0.00 1.00 0.00 0.00 33.01 31.61 1puz s GLN 53 CO 0.32 -1.64 1.32 -0.44 -2.12 0.00 0.00 175.29 172.74 1puz h ASP 54 N -1.00 -0.97 -0.77 5.90 5.19 -1.93 0.65 116.42 123.49 1puz h ASP 54 Ca -0.45 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.10 1puz h ASP 54 Cb 1.30 0.25 -0.12 0.00 0.18 0.00 0.00 39.33 40.94 1puz h ASP 54 CO 0.58 -0.62 -0.46 -0.61 -3.12 0.00 0.00 179.24 175.01 1puz h GLN 55 N -1.31 -0.12 -0.65 3.56 -0.00 -1.95 1.35 115.11 115.99 1puz h GLN 55 Ca -0.12 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 1puz h GLN 55 Cb 0.88 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.36 1puz h GLN 55 CO 0.19 -0.08 0.31 0.93 0.00 0.00 0.00 178.83 180.18 1puz h GLU 56 N -0.13 0.94 0.69 1.69 5.08 -1.94 -0.54 114.58 120.37 1puz h GLU 56 Ca 0.22 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1puz h GLU 56 Cb 0.54 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1puz h GLU 56 CO -0.82 0.75 -0.44 1.25 -1.00 0.00 0.00 179.01 178.75 1puz h LEU 57 N 0.90 -1.13 -0.13 1.33 5.85 0.42 0.83 115.31 123.38 1puz h LEU 57 Ca 0.22 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1puz h LEU 57 Cb 0.12 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1puz h LEU 57 CO -0.03 -0.67 -0.45 0.25 -0.34 0.00 0.00 178.44 177.20 1puz h LEU 58 N -1.06 -1.44 -0.80 2.25 5.85 0.16 0.35 115.31 120.62 1puz h LEU 58 Ca -0.09 0.17 0.18 0.00 0.84 0.00 0.00 57.88 58.98 1puz h LEU 58 Cb 0.86 0.56 -0.11 0.00 0.37 0.00 0.00 40.66 42.34 1puz h LEU 58 CO 0.08 -0.40 0.26 0.00 -0.34 0.00 0.00 178.44 178.05 1puz h ALA 59 N -0.48 1.13 0.41 1.25 0.00 -1.02 0.48 119.26 121.03 1puz h ALA 59 Ca 0.03 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1puz h ALA 59 Cb 0.56 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1puz h ALA 59 CO -0.37 -0.32 -0.52 -0.07 0.00 0.00 0.00 179.25 177.97 1puz h LEU 60 N 0.34 -1.46 -0.65 0.00 3.38 0.30 1.72 115.31 118.93 1puz h LEU 60 Ca 0.47 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.70 1puz h LEU 60 Cb 0.82 0.50 -0.12 0.00 0.09 0.00 0.00 40.66 41.95 1puz h LEU 60 CO -0.51 -0.65 -0.11 0.40 0.09 0.00 0.00 178.44 177.66 1puz h ILE 61 N -0.96 0.37 -0.37 1.22 2.04 0.11 1.04 117.51 120.96 1puz h ILE 61 Ca -0.05 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1puz h ILE 61 Cb 0.86 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1puz h ILE 61 CO -0.12 0.01 0.22 0.78 0.00 0.00 0.00 178.15 179.04 1puz h ASN 62 N 0.03 0.43 0.00 1.72 2.35 -0.22 -3.46 115.58 116.43 1puz h ASN 62 Ca 0.32 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1puz h ASN 62 Cb 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1puz h ASN 62 CO -0.64 0.33 0.00 0.61 -1.65 0.00 0.00 177.43 176.08 1puz n GLY 63 N -1.43 1.90 0.00 2.83 0.00 0.36 -5.08 105.19 103.77 1puz n GLY 63 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1puz n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1puz n HIS 64 N -0.52 0.00 -0.46 1.61 8.25 0.52 -4.94 115.22 119.67 1puz n HIS 64 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1puz n HIS 64 Cb 0.00 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.31 1puz n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1puz n SER 65 N -0.52 -3.12 -4.55 0.41 7.64 -1.25 -4.87 113.62 107.36 1puz n SER 65 Ca 0.00 -0.46 -0.26 0.00 1.01 0.00 0.00 58.87 59.16 1puz n SER 65 Cb 0.00 -0.91 -0.11 0.00 -1.01 0.00 0.00 64.21 62.19 1puz n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1puz s GLU 66 N -3.97 1.82 -0.08 1.43 2.02 -1.26 -4.65 118.70 114.00 1puz s GLU 66 Ca 0.51 -1.99 -0.01 0.00 0.02 0.00 0.00 54.97 53.50 1puz s GLU 66 Cb -0.10 -1.49 0.03 0.00 0.10 0.00 0.00 34.13 32.67 1puz s GLU 66 CO 0.48 -0.00 -0.03 -0.08 0.02 0.00 0.00 175.26 175.65 1puz s THR 67 N -2.80 0.65 -0.34 3.63 -1.32 -1.26 -5.00 115.64 109.19 1puz s THR 67 Ca 0.34 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1puz s THR 67 Cb 0.07 -0.73 0.33 0.00 -1.51 0.00 0.00 72.50 70.66 1puz s THR 67 CO 0.16 0.30 1.80 -0.67 -2.21 0.00 0.00 174.62 174.00 1puz n ASP 68 N 4.93 5.17 -3.65 8.08 -0.08 -1.26 -4.75 116.55 124.98 1puz n ASP 68 Ca -0.11 -3.11 -0.15 0.00 -1.51 0.00 0.00 54.79 49.91 1puz n ASP 68 Cb 0.50 -0.88 -0.14 0.00 2.34 0.00 0.00 41.12 42.94 1puz n ASP 68 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1puz s LYS 69 N -2.15 0.10 0.00 -0.67 -0.14 -1.26 -5.00 119.74 110.62 1puz s LYS 69 Ca 0.37 0.62 0.30 0.00 -1.36 0.00 0.00 55.97 55.89 1puz s LYS 69 Cb 0.30 -0.25 1.54 0.00 -1.68 0.00 0.00 37.83 37.75 1puz s LYS 69 CO 0.03 -0.33 2.05 0.41 -0.76 0.00 0.00 175.35 176.75 1puz n GLY 70 N 5.34 -1.22 0.23 -3.33 0.00 -1.26 -2.85 105.19 102.10 1puz n GLY 70 Ca -0.05 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1puz n GLY 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1puz h HIS 71 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -3.05 115.15 111.73 1puz h HIS 71 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 1puz h HIS 71 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1puz h HIS 71 CO 0.00 0.01 -1.58 1.28 -0.00 0.00 0.00 177.93 177.64 1puz n LEU 72 N -3.10 0.58 -0.33 2.43 4.77 -1.13 -3.95 117.00 116.26 1puz n LEU 72 Ca 0.03 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.33 1puz n LEU 72 Cb 0.48 0.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.84 1puz n LEU 72 CO 0.33 0.10 0.72 0.40 -1.33 0.00 0.00 177.39 177.60 1puz h ILE 73 N 0.00 0.06 0.18 -0.08 2.04 -1.59 1.75 117.51 119.87 1puz h ILE 73 Ca -0.15 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1puz h ILE 73 Cb 1.45 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1puz h ILE 73 CO 0.03 0.00 -0.09 1.55 0.00 0.00 0.00 178.15 179.64 1puz h PRO 74 N 0.01 -0.23 -1.12 2.37 0.13 -1.73 -3.21 132.00 128.22 1puz h PRO 74 Ca 0.49 0.02 0.32 0.00 -0.87 0.00 0.00 66.00 65.96 1puz h PRO 74 Cb 0.84 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 1puz h PRO 74 CO -0.94 0.07 0.80 0.52 -0.23 0.00 0.00 178.00 178.22 1puz h MET 75 N -0.99 0.01 -0.10 0.86 2.86 -1.40 1.46 114.93 117.62 1puz h MET 75 Ca -0.02 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1puz h MET 75 Cb 0.41 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1puz h MET 75 CO 0.04 0.01 -0.32 -0.07 1.06 0.00 0.00 176.91 177.63 1puz h LEU 76 N 0.01 0.20 0.15 1.22 3.38 0.26 0.72 115.31 121.25 1puz h LEU 76 Ca 0.53 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1puz h LEU 76 Cb 2.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1puz h LEU 76 CO -0.02 0.51 -0.07 -0.33 0.09 0.00 0.00 178.44 178.62 1puz h GLU 77 N 0.17 -0.19 -0.48 1.13 4.39 0.20 0.34 114.58 120.13 1puz h GLU 77 Ca 0.02 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1puz h GLU 77 Cb 0.65 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1puz h GLU 77 CO 0.05 0.24 0.08 1.57 -1.16 0.00 0.00 179.01 179.79 1puz h LYS 78 N -0.77 0.80 0.30 2.33 2.10 -1.34 0.01 116.57 120.00 1puz h LYS 78 Ca -0.02 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 1puz h LYS 78 Cb 0.53 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1puz h LYS 78 CO 0.03 0.80 -0.15 0.82 -2.00 0.00 0.00 179.45 178.96 1puz h ILE 79 N 0.67 0.00 -0.22 0.07 2.04 0.40 -2.58 117.51 117.89 1puz h ILE 79 Ca 0.15 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1puz h ILE 79 Cb 0.39 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1puz h ILE 79 CO 0.01 0.00 0.56 0.08 0.00 0.00 0.00 178.15 178.80 1puz h ARG 80 N -0.47 0.00 0.00 2.37 -0.00 -0.37 -2.13 114.38 113.78 1puz h ARG 80 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 1puz h ARG 80 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1puz h ARG 80 CO 0.07 0.00 0.00 -2.13 -0.00 0.00 0.00 179.97 177.91 1puz n ARG 81 N -3.08 0.00 0.00 0.08 0.63 -0.01 -5.04 116.66 109.23 1puz n ARG 81 Ca 0.03 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1puz n ARG 81 Cb 0.66 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.15 1puz n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12