#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puz s MET 2 N 0.00 0.52 0.29 0.03 1.00 -1.26 -5.17 119.30 114.71 1puz s MET 2 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 55.69 55.98 1puz s MET 2 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.04 1puz s MET 2 CO 0.00 -0.13 0.47 0.08 0.00 0.00 0.00 175.02 175.44 1puz s VAL 3 N -0.62 5.16 0.52 -6.03 1.01 -1.26 -5.02 120.40 114.16 1puz s VAL 3 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1puz s VAL 3 Cb -0.02 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1puz s VAL 3 CO -0.02 -0.41 0.72 0.72 0.00 0.00 0.00 175.10 176.11 1puz s PHE 4 N -2.13 2.19 0.22 5.22 -0.12 -1.26 -5.11 117.98 116.99 1puz s PHE 4 Ca 0.39 -0.46 -0.03 0.00 -0.05 0.00 0.00 56.93 56.77 1puz s PHE 4 Cb -0.10 -2.42 -0.03 0.00 -0.63 0.00 0.00 43.02 39.84 1puz s PHE 4 CO 0.33 -0.86 0.22 -0.51 -0.05 0.00 0.00 175.22 174.34 1puz s ASP 5 N -4.51 0.15 0.36 1.98 1.11 -1.26 -4.97 116.67 109.53 1puz s ASP 5 Ca 0.59 -1.30 0.20 0.00 0.18 0.00 0.00 52.55 52.22 1puz s ASP 5 Cb -0.08 0.44 1.30 0.00 1.07 0.00 0.00 42.92 45.65 1puz s ASP 5 CO 0.37 -0.92 1.59 0.44 1.18 0.00 0.00 175.17 177.82 1puz h ASP 6 N 2.52 0.30 -0.12 0.27 3.32 -2.00 1.46 116.42 122.17 1puz h ASP 6 Ca -0.33 0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1puz h ASP 6 Cb 1.25 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 41.03 1puz h ASP 6 CO 0.48 -0.41 -0.11 0.40 -1.72 0.00 0.00 179.24 177.88 1puz h ILE 7 N 0.03 0.68 -0.86 0.35 2.04 -2.01 -0.86 117.51 116.89 1puz h ILE 7 Ca 0.83 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.87 1puz h ILE 7 Cb 2.15 0.68 -0.11 0.00 -0.74 0.00 0.00 36.82 38.81 1puz h ILE 7 CO -0.76 0.00 0.40 0.00 0.00 0.00 0.00 178.15 177.78 1puz h ALA 8 N 0.94 1.32 -0.04 1.87 0.00 0.16 -0.33 119.26 123.19 1puz h ALA 8 Ca 0.08 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1puz h ALA 8 Cb 0.25 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1puz h ALA 8 CO -0.20 -0.22 -0.40 -0.22 0.00 0.00 0.00 179.25 178.21 1puz h LYS 9 N 0.50 -0.51 -0.93 0.00 3.64 -0.59 -0.03 116.57 118.65 1puz h LYS 9 Ca 0.50 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 60.19 1puz h LYS 9 Cb 0.83 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.61 1puz h LYS 9 CO -0.44 -0.34 0.30 0.00 -2.27 0.00 0.00 179.45 176.70 1puz h ARG 10 N -0.53 0.18 -0.61 1.90 3.08 -0.60 0.92 114.38 118.71 1puz h ARG 10 Ca 0.06 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1puz h ARG 10 Cb 0.63 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 1puz h ARG 10 CO -0.33 0.12 0.20 -0.22 -1.07 0.00 0.00 179.97 178.67 1puz h LYS 11 N 0.18 0.35 -0.94 0.04 3.64 -0.66 0.71 116.57 119.89 1puz h LYS 11 Ca 0.62 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 60.14 1puz h LYS 11 Cb 1.35 -0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 32.94 1puz h LYS 11 CO -0.69 0.23 -0.36 0.97 -2.27 0.00 0.00 179.45 177.33 1puz h ILE 12 N 0.36 0.03 0.03 2.00 -0.00 0.13 1.30 117.51 121.37 1puz h ILE 12 Ca 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 65.17 1puz h ILE 12 Cb 0.42 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.27 1puz h ILE 12 CO -0.34 0.00 -0.02 0.03 -0.00 0.00 0.00 178.15 177.83 1puz h ARG 13 N -0.02 -0.04 -0.43 2.19 3.08 -1.19 -2.70 114.38 115.26 1puz h ARG 13 Ca 0.35 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.52 1puz h ARG 13 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1puz h ARG 13 CO -0.95 0.65 0.68 0.74 -1.07 0.00 0.00 179.97 180.03 1puz h PHE 14 N -0.86 0.00 0.07 3.04 -1.00 0.16 0.31 116.94 118.66 1puz h PHE 14 Ca -0.00 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.58 1puz h PHE 14 Cb 0.71 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1puz h PHE 14 CO 0.18 0.00 -1.03 1.96 -1.61 0.00 0.00 178.31 177.81 1puz h GLN 15 N 0.00 0.14 0.00 1.51 1.08 0.16 -3.47 115.11 114.53 1puz h GLN 15 Ca 0.20 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1puz h GLN 15 Cb 1.57 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 1puz h GLN 15 CO -0.00 1.11 0.00 0.25 -0.95 0.00 0.00 178.83 179.24 1puz n THR 16 N -4.21 0.00 -1.05 -0.54 -2.24 0.11 -4.84 114.28 101.51 1puz n THR 16 Ca -0.23 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.59 1puz n THR 16 Cb 0.75 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 1puz n THR 16 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1puz n ARG 17 N -1.22 -0.50 -2.56 -0.78 1.85 -1.26 -4.95 116.66 107.25 1puz n ARG 17 Ca 0.00 0.33 -0.02 0.00 -1.00 0.00 0.00 57.85 57.15 1puz n ARG 17 Cb 0.00 -0.61 -0.02 0.00 -1.05 0.00 0.00 32.46 30.78 1puz n ARG 17 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1puz n ARG 18 N -1.22 -3.60 0.00 2.89 0.63 -1.26 -4.61 116.66 109.49 1puz n ARG 18 Ca 0.00 2.71 0.00 0.00 -0.92 0.00 0.00 57.85 59.65 1puz n ARG 18 Cb 0.11 -3.62 0.00 0.00 0.45 0.00 0.00 32.46 29.41 1puz n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1puz n GLY 19 N 1.96 3.09 3.01 5.14 0.00 -1.26 -3.96 105.19 113.17 1puz n GLY 19 Ca -0.18 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1puz n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1puz s LEU 20 N 0.00 1.61 0.00 0.99 2.01 -1.26 -4.34 118.68 117.69 1puz s LEU 20 Ca 0.00 0.10 0.00 0.00 0.01 0.00 0.00 54.13 54.24 1puz s LEU 20 Cb 0.00 0.42 0.00 0.00 0.01 0.00 0.00 46.19 46.62 1puz s LEU 20 CO 0.00 -0.12 0.90 -0.11 1.01 0.00 0.00 176.35 178.03 1puz n LEU 21 N 2.65 0.01 -0.34 1.79 7.94 -1.26 -1.72 117.00 126.08 1puz n LEU 21 Ca -0.15 0.93 0.30 0.00 -1.11 0.00 0.00 56.01 55.98 1puz n LEU 21 Cb 0.58 -0.47 0.56 0.00 0.53 0.00 0.00 43.42 44.62 1puz n LEU 21 CO 0.22 -0.47 1.09 -0.08 -1.11 0.00 0.00 177.39 177.05 1puz h GLU 22 N 0.00 0.11 0.25 1.96 4.57 -1.99 0.59 114.58 120.06 1puz h GLU 22 Ca 0.00 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1puz h GLU 22 Cb 0.00 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1puz h GLU 22 CO 0.00 0.07 -0.35 1.25 -1.18 0.00 0.00 179.01 178.80 1puz h LEU 23 N 0.11 -0.99 -1.45 1.64 7.12 -1.91 0.67 115.31 120.49 1puz h LEU 23 Ca 0.81 0.10 0.35 0.00 0.13 0.00 0.00 57.88 59.27 1puz h LEU 23 Cb 2.09 0.35 -0.10 0.00 -0.53 0.00 0.00 40.66 42.47 1puz h LEU 23 CO -0.69 -0.47 0.78 -0.78 -0.13 0.00 0.00 178.44 177.15 1puz h ASP 24 N -0.67 0.31 0.13 1.25 3.58 0.11 0.17 116.42 121.30 1puz h ASP 24 Ca -0.00 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1puz h ASP 24 Cb 0.64 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1puz h ASP 24 CO -0.13 -0.04 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.06 1puz h LEU 25 N 0.22 -0.15 -0.95 2.28 3.38 -0.60 -3.17 115.31 116.32 1puz h LEU 25 Ca 0.69 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 58.44 1puz h LEU 25 Cb 2.07 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.73 1puz h LEU 25 CO -0.31 0.44 -0.50 -0.38 0.09 0.00 0.00 178.44 177.78 1puz n ILE 26 N -4.87 -0.60 -0.30 1.22 5.41 0.21 0.17 119.36 120.60 1puz n ILE 26 Ca -0.06 2.27 0.13 0.00 1.00 0.00 0.00 62.75 66.09 1puz n ILE 26 Cb 0.23 -2.86 0.31 0.00 -0.71 0.00 0.00 39.64 36.61 1puz n ILE 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1puz h PHE 27 N 0.00 0.60 -0.88 1.39 0.04 -1.18 0.29 116.94 117.20 1puz h PHE 27 Ca 0.21 0.04 0.17 0.00 2.80 0.00 0.00 57.97 61.19 1puz h PHE 27 Cb 0.45 -0.13 -0.17 0.00 2.20 0.00 0.00 35.95 38.30 1puz h PHE 27 CO -0.93 -0.08 -0.24 0.78 -0.60 0.00 0.00 178.31 177.24 1puz h GLY 28 N 0.36 0.58 0.00 -1.45 0.00 0.17 0.49 103.07 103.23 1puz h GLY 28 Ca 0.56 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 48.18 1puz h GLY 28 CO -0.55 -0.32 -0.35 3.21 0.00 0.00 0.00 176.54 178.52 1puz h ARG 29 N -0.01 0.00 -1.52 4.80 2.47 -0.88 -2.99 114.38 116.25 1puz h ARG 29 Ca 0.41 0.00 0.48 0.00 -1.26 0.00 0.00 59.98 59.61 1puz h ARG 29 Cb 0.64 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.86 1puz h ARG 29 CO -0.91 0.19 1.04 0.34 0.56 0.00 0.00 179.97 181.19 1puz n PHE 30 N -4.66 0.36 -0.06 3.04 7.35 0.80 0.19 117.46 124.48 1puz n PHE 30 Ca -0.07 0.36 -0.05 0.00 -0.76 0.00 0.00 57.45 56.92 1puz n PHE 30 Cb 0.23 -0.80 -0.05 0.00 0.35 0.00 0.00 39.48 39.21 1puz n PHE 30 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1puz h MET 31 N 0.00 0.00 -0.54 -4.13 2.86 -0.14 -0.98 114.93 112.00 1puz h MET 31 Ca 0.84 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.63 1puz h MET 31 Cb 3.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 34.64 1puz h MET 31 CO -0.24 0.36 0.78 1.49 1.06 0.00 0.00 176.91 180.36 1puz h GLU 32 N -1.00 0.00 0.00 1.72 4.22 -0.10 1.55 114.58 120.97 1puz h GLU 32 Ca -0.01 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.15 1puz h GLU 32 Cb 0.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1puz h GLU 32 CO -0.00 0.00 -1.54 1.63 -2.18 0.00 0.00 179.01 176.92 1puz n LYS 33 N -3.28 0.58 0.00 1.92 4.76 -0.01 -4.04 118.16 118.08 1puz n LYS 33 Ca 0.11 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1puz n LYS 33 Cb 0.97 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1puz n GLU 34 N -4.36 0.00 0.08 1.97 4.71 0.91 -4.16 120.64 119.79 1puz n GLU 34 Ca -0.36 0.23 0.15 0.00 -0.01 0.00 0.00 57.16 57.17 1puz n GLU 34 Cb 0.74 -0.70 0.32 0.00 -1.01 0.00 0.00 31.44 30.79 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 -0.71 -0.32 3.57 0.19 -1.54 116.94 118.13 1puz h PHE 35 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1puz h PHE 35 Cb 0.00 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.61 1puz h PHE 35 CO 0.00 0.00 -0.13 -0.85 -2.23 0.00 0.00 178.31 175.10 1puz n GLU 36 N -2.95 -0.06 -2.70 1.11 0.28 0.63 -3.03 120.64 113.91 1puz n GLU 36 Ca 0.10 1.10 -0.07 0.00 -0.16 0.00 0.00 57.16 58.13 1puz n GLU 36 Cb 1.14 -1.66 0.11 0.00 1.43 0.00 0.00 31.44 32.46 1puz n GLU 36 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1puz n HIS 37 N -5.11 -2.18 -1.69 -1.84 8.25 -0.59 -5.08 115.22 106.98 1puz n HIS 37 Ca 0.13 -1.98 -0.44 0.00 -0.26 0.00 0.00 57.72 55.16 1puz n HIS 37 Cb 0.41 1.45 -0.04 0.00 1.12 0.00 0.00 29.99 32.93 1puz n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1puz n LEU 38 N -0.58 3.45 0.00 2.41 4.77 -1.13 -4.97 117.00 120.95 1puz n LEU 38 Ca -0.02 1.08 -0.16 0.00 -0.03 0.00 0.00 56.01 56.88 1puz n LEU 38 Cb 0.85 -1.49 0.12 0.00 -2.33 0.00 0.00 43.42 40.57 1puz n LEU 38 CO -0.05 -0.11 0.40 -1.20 -1.33 0.00 0.00 177.39 175.10 1puz n SER 39 N 3.58 -0.70 0.15 -1.43 7.64 -1.26 -4.77 113.62 116.83 1puz n SER 39 Ca 0.16 -1.07 -0.09 0.00 1.01 0.00 0.00 58.87 58.89 1puz n SER 39 Cb 0.31 -0.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 1puz n SER 39 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1puz h ASP 40 N -1.38 -0.38 -0.49 6.43 3.58 -1.99 -0.49 116.42 121.70 1puz h ASP 40 Ca -0.22 -0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.22 1puz h ASP 40 Cb 0.64 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.76 1puz h ASP 40 CO 0.15 0.08 0.33 0.50 -2.88 0.00 0.00 179.24 177.43 1puz h LYS 41 N -1.06 0.33 0.04 0.28 1.63 -1.95 -1.54 116.57 114.30 1puz h LYS 41 Ca -0.05 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1puz h LYS 41 Cb 0.44 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1puz h LYS 41 CO 0.08 0.22 -0.02 1.49 -3.45 0.00 0.00 179.45 177.76 1puz h GLU 42 N 0.34 -0.06 -0.57 1.90 4.57 -1.92 -3.11 114.58 115.72 1puz h GLU 42 Ca 0.22 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.52 1puz h GLU 42 Cb 0.45 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.94 1puz h GLU 42 CO -0.05 0.30 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.91 1puz h LEU 43 N -0.41 -0.45 -0.87 1.64 3.38 -0.10 -0.89 115.31 117.61 1puz h LEU 43 Ca -0.01 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1puz h LEU 43 Cb 0.38 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 1puz h LEU 43 CO 0.01 -0.16 -0.54 0.28 0.09 0.00 0.00 178.44 178.12 1puz h SER 44 N 0.03 -1.94 -0.15 -0.43 0.02 -1.33 0.39 113.55 110.13 1puz h SER 44 Ca 0.28 0.31 0.05 0.00 -0.84 0.00 0.00 61.79 61.59 1puz h SER 44 Cb 0.44 0.87 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 1puz h SER 44 CO -0.56 -0.28 -0.18 -0.33 -1.14 0.00 0.00 176.83 174.34 1puz h GLU 45 N -0.08 -0.21 -0.43 3.45 4.39 -1.18 0.93 114.58 121.44 1puz h GLU 45 Ca 0.18 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.98 1puz h GLU 45 Cb 0.48 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 1puz h GLU 45 CO -0.87 -0.14 -0.26 0.74 -1.16 0.00 0.00 179.01 177.32 1puz h PHE 46 N -0.21 -0.70 0.00 4.33 -1.00 0.20 1.40 116.94 120.96 1puz h PHE 46 Ca 0.11 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 1puz h PHE 46 Cb 0.37 0.37 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 1puz h PHE 46 CO -0.30 -0.34 -0.08 1.03 -1.61 0.00 0.00 178.31 177.01 1puz h SER 47 N -0.18 0.00 0.07 2.17 0.87 0.20 1.62 113.55 118.30 1puz h SER 47 Ca 0.20 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.49 1puz h SER 47 Cb 0.50 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1puz h SER 47 CO -0.54 0.08 -1.11 -0.33 -0.53 0.00 0.00 176.83 174.40 1puz h GLU 48 N 0.00 0.63 0.01 2.24 3.07 0.25 -2.91 114.58 117.87 1puz h GLU 48 Ca -0.00 -0.77 -0.09 0.00 -0.50 0.00 0.00 59.36 58.00 1puz h GLU 48 Cb 0.15 0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1puz h GLU 48 CO 0.01 1.34 -0.34 0.82 -1.40 0.00 0.00 179.01 179.44 1puz h ILE 49 N 0.27 1.55 0.00 3.13 2.04 0.24 -3.06 117.51 121.67 1puz h ILE 49 Ca -0.16 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1puz h ILE 49 Cb 1.79 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 40.71 1puz h ILE 49 CO 0.22 0.57 0.23 -0.07 0.00 0.00 0.00 178.15 179.09 1puz h LEU 50 N -0.47 0.00 -1.19 1.44 3.38 0.22 -2.33 115.31 116.36 1puz h LEU 50 Ca -0.05 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.34 1puz h LEU 50 Cb 1.12 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1puz h LEU 50 CO 0.07 0.00 0.77 -0.62 0.09 0.00 0.00 178.44 178.75 1puz n GLU 51 N -2.81 -0.03 -2.93 1.13 -0.58 -1.10 -4.23 120.64 110.10 1puz n GLU 51 Ca -0.02 1.07 -0.31 0.00 -0.42 0.00 0.00 57.16 57.48 1puz n GLU 51 Cb 0.27 -2.12 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 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 -5.00 3.43 0.92 -0.32 0.08 -0.88 -5.08 117.98 111.13 1puz s PHE 52 Ca -0.06 1.14 -0.14 0.00 0.12 0.00 0.00 56.93 57.98 1puz s PHE 52 Cb 0.26 -2.50 0.16 0.00 -0.57 0.00 0.00 43.02 40.37 1puz s PHE 52 CO 0.70 -0.05 1.23 -0.65 -0.10 0.00 0.00 175.22 176.36 1puz s GLN 53 N -3.55 1.01 0.06 0.44 -0.21 -1.26 -4.66 119.66 111.48 1puz s GLN 53 Ca 0.53 -0.12 -0.21 0.00 0.02 0.00 0.00 55.36 55.58 1puz s GLN 53 Cb -0.10 -1.86 -0.09 0.00 1.00 0.00 0.00 33.01 31.95 1puz s GLN 53 CO 0.26 -2.21 1.34 -0.44 -2.12 0.00 0.00 175.29 172.12 1puz h ASP 54 N -1.50 -0.94 -0.62 5.90 3.45 -1.82 1.42 116.42 122.31 1puz h ASP 54 Ca -0.46 0.09 0.06 0.00 0.43 0.00 0.00 57.03 57.16 1puz h ASP 54 Cb 1.28 0.34 -0.09 0.00 -0.56 0.00 0.00 39.33 40.31 1puz h ASP 54 CO 0.50 -0.35 -0.50 -0.61 -1.57 0.00 0.00 179.24 176.71 1puz h GLN 55 N -0.49 -0.16 -0.61 3.56 -0.00 -1.89 0.92 115.11 116.44 1puz h GLN 55 Ca -0.01 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1puz h GLN 55 Cb 0.48 0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.93 1puz h GLN 55 CO -0.15 -0.11 0.26 0.93 0.00 0.00 0.00 178.83 179.77 1puz h GLU 56 N -0.17 0.45 0.50 1.69 3.07 -1.86 0.12 114.58 118.38 1puz h GLU 56 Ca 0.10 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1puz h GLU 56 Cb 0.43 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1puz h GLU 56 CO -0.67 0.30 -0.48 1.25 -1.40 0.00 0.00 179.01 178.00 1puz h LEU 57 N 0.47 -1.32 -0.23 1.33 5.85 0.51 0.63 115.31 122.54 1puz h LEU 57 Ca 0.30 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1puz h LEU 57 Cb 0.33 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1puz h LEU 57 CO -0.27 -0.64 -0.44 0.25 -0.34 0.00 0.00 178.44 177.00 1puz h LEU 58 N -0.97 -1.46 -0.77 2.25 5.85 0.11 0.34 115.31 120.67 1puz h LEU 58 Ca -0.06 0.18 0.18 0.00 0.84 0.00 0.00 57.88 59.02 1puz h LEU 58 Cb 0.84 0.58 -0.12 0.00 0.37 0.00 0.00 40.66 42.33 1puz h LEU 58 CO -0.05 -0.35 0.14 0.00 -0.34 0.00 0.00 178.44 177.84 1puz h ALA 59 N -0.39 0.97 0.31 1.25 0.00 -0.81 0.18 119.26 120.77 1puz h ALA 59 Ca 0.04 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1puz h ALA 59 Cb 0.51 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1puz h ALA 59 CO -0.42 -0.39 -0.47 -0.07 0.00 0.00 0.00 179.25 177.89 1puz h LEU 60 N 0.21 -1.36 -0.67 0.00 3.38 0.29 1.69 115.31 118.86 1puz h LEU 60 Ca 0.44 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.68 1puz h LEU 60 Cb 0.80 0.47 -0.12 0.00 0.09 0.00 0.00 40.66 41.90 1puz h LEU 60 CO -0.58 -0.57 -0.03 0.40 0.09 0.00 0.00 178.44 177.75 1puz h ILE 61 N -0.83 0.42 -0.01 1.22 2.04 0.11 1.30 117.51 121.76 1puz h ILE 61 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1puz h ILE 61 Cb 0.76 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1puz h ILE 61 CO -0.15 0.02 0.01 0.78 0.00 0.00 0.00 178.15 178.81 1puz h ASN 62 N 0.09 0.00 0.00 1.72 2.35 0.11 -3.45 115.58 116.40 1puz h ASN 62 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1puz h ASN 62 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1puz h ASN 62 CO -0.60 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 175.79 1puz n GLY 63 N -1.54 1.32 0.00 2.83 0.00 0.45 -5.05 105.19 103.18 1puz n GLY 63 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.00 0.00 -0.79 1.61 8.25 0.52 -4.88 115.22 118.94 1puz n HIS 64 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1puz n HIS 64 Cb 0.00 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.29 1puz n HIS 64 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1puz s SER 65 N -1.38 2.48 0.38 0.41 0.01 -1.24 -4.88 113.70 109.48 1puz s SER 65 Ca 0.00 1.80 0.08 0.00 1.31 0.00 0.00 55.95 59.14 1puz s SER 65 Cb 0.00 -2.39 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 1puz s SER 65 CO 0.00 -3.31 0.05 -1.61 0.41 0.00 0.00 173.24 168.78 1puz s GLU 66 N -4.66 2.06 -0.18 12.44 2.02 -1.26 -4.52 118.70 124.60 1puz s GLU 66 Ca 0.66 -1.90 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 1puz s GLU 66 Cb -0.22 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1puz s GLU 66 CO 0.60 0.01 -0.14 -0.08 0.02 0.00 0.00 175.26 175.66 1puz s THR 67 N -2.61 2.64 -2.01 3.63 -1.32 -1.26 -4.96 115.64 109.75 1puz s THR 67 Ca 0.36 -0.76 0.08 0.00 -1.21 0.00 0.00 61.69 60.17 1puz s THR 67 Cb 0.04 -2.14 0.23 0.00 -1.51 0.00 0.00 72.50 69.12 1puz s THR 67 CO 0.20 0.50 1.30 -0.67 -2.21 0.00 0.00 174.62 173.73 1puz n ASP 68 N 4.41 0.18 -3.81 8.08 -0.08 -1.26 -4.59 116.55 119.49 1puz n ASP 68 Ca -0.19 -1.78 -0.25 0.00 -1.51 0.00 0.00 54.79 51.06 1puz n ASP 68 Cb 0.51 -0.02 -0.17 0.00 2.34 0.00 0.00 41.12 43.78 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 -1.96 0.90 0.00 -0.67 3.01 -1.26 -4.98 119.74 114.77 1puz s LYS 69 Ca 0.13 -0.13 0.16 0.00 -1.01 0.00 0.00 55.97 55.12 1puz s LYS 69 Cb 0.06 -1.42 0.92 0.00 -1.01 0.00 0.00 37.83 36.38 1puz s LYS 69 CO 0.10 -0.37 1.43 0.41 0.51 0.00 0.00 175.35 177.42 1puz n GLY 70 N 5.06 -0.65 0.03 -3.33 0.00 -1.26 -1.94 105.19 103.10 1puz n GLY 70 Ca -0.09 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1puz n GLY 70 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1puz n HIS 71 N -1.12 0.00 -0.06 1.61 -0.00 -1.26 -3.15 115.22 111.24 1puz n HIS 71 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.76 1puz n HIS 71 Cb 0.09 -0.10 -0.09 0.00 -0.00 0.00 0.00 29.99 29.89 1puz n HIS 71 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1puz n LEU 72 N -1.02 0.48 -0.33 2.41 4.77 -0.82 -4.10 117.00 118.39 1puz n LEU 72 Ca 0.20 -0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1puz n LEU 72 Cb 0.18 0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1puz n LEU 72 CO 0.20 0.35 0.68 0.40 -1.33 0.00 0.00 177.39 177.69 1puz h ILE 73 N 0.00 0.07 0.00 -0.08 2.04 -1.64 2.00 117.51 119.91 1puz h ILE 73 Ca -0.31 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1puz h ILE 73 Cb 1.67 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1puz h ILE 73 CO 0.01 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.71 1puz h PRO 74 N 0.00 -0.00 -0.31 2.37 0.13 -1.80 -3.13 132.00 129.25 1puz h PRO 74 Ca 0.45 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.67 1puz h PRO 74 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1puz h PRO 74 CO -0.96 0.75 0.32 0.52 -0.23 0.00 0.00 178.00 178.40 1puz h MET 75 N -0.76 0.00 -0.12 0.86 2.86 -1.23 0.38 114.93 116.92 1puz h MET 75 Ca -0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1puz h MET 75 Cb 0.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1puz h MET 75 CO 0.00 0.00 -0.65 -0.07 1.06 0.00 0.00 176.91 177.25 1puz h LEU 76 N 0.00 0.54 0.52 1.22 3.38 0.31 -1.53 115.31 119.75 1puz h LEU 76 Ca 0.15 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1puz h LEU 76 Cb 0.79 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1puz h LEU 76 CO -0.00 1.04 -0.25 -0.33 0.09 0.00 0.00 178.44 178.99 1puz h GLU 77 N 0.34 -0.67 0.66 1.13 4.39 -0.20 0.79 114.58 121.03 1puz h GLU 77 Ca -0.01 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1puz h GLU 77 Cb 1.20 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1puz h GLU 77 CO 0.11 -0.38 -0.46 -0.22 -1.16 0.00 0.00 179.01 176.90 1puz h LYS 78 N -0.85 -1.03 -0.34 2.33 3.64 -1.50 -0.01 116.57 118.81 1puz h LYS 78 Ca -0.07 0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1puz h LYS 78 Cb 0.59 0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 1puz h LYS 78 CO 0.12 -0.68 -0.23 0.82 -2.27 0.00 0.00 179.45 177.20 1puz h ILE 79 N -1.07 0.39 -0.85 2.00 2.04 -1.32 0.69 117.51 119.40 1puz h ILE 79 Ca -0.09 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.98 1puz h ILE 79 Cb 0.87 0.39 -0.13 0.00 -0.74 0.00 0.00 36.82 37.21 1puz h ILE 79 CO 0.06 0.00 0.24 -0.09 0.00 0.00 0.00 178.15 178.36 1puz h ARG 80 N -0.18 0.24 0.07 2.37 2.43 0.87 -1.25 114.38 118.93 1puz h ARG 80 Ca 0.17 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1puz h ARG 80 Cb 0.45 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1puz h ARG 80 CO -0.45 0.16 -0.39 -0.09 -1.51 0.00 0.00 179.97 177.69 1puz h ARG 81 N 0.25 -0.52 0.00 0.20 2.43 0.11 -3.50 114.38 113.35 1puz h ARG 81 Ca 0.52 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1puz h ARG 81 Cb 0.99 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1puz h ARG 81 CO -0.60 -0.35 0.00 0.00 -1.51 0.00 0.00 179.97 177.51