#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 0.37 0.57 0.03 0.00 -1.26 -5.17 119.30 113.84 1puz s MET 2 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 55.69 55.82 1puz s MET 2 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 34.83 34.99 1puz s MET 2 CO 0.00 -0.09 0.90 0.08 0.00 0.00 0.00 175.02 175.91 1puz s VAL 3 N -0.61 4.35 -0.43 10.11 1.01 -1.26 -4.96 120.40 128.60 1puz s VAL 3 Ca 0.03 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 1puz s VAL 3 Cb -0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1puz s VAL 3 CO -0.05 -0.78 2.01 0.12 0.00 0.00 0.00 175.10 176.40 1puz s PHE 4 N -2.97 1.52 0.37 5.22 2.19 -1.26 -4.40 117.98 118.64 1puz s PHE 4 Ca 0.52 0.86 -0.09 0.00 0.33 0.00 0.00 56.93 58.56 1puz s PHE 4 Cb -0.11 -3.97 0.04 0.00 -1.31 0.00 0.00 43.02 37.67 1puz s PHE 4 CO 0.48 -2.83 0.65 -0.25 1.83 0.00 0.00 175.22 175.10 1puz n ASP 5 N 12.43 -1.86 -0.21 6.13 9.92 -1.26 -4.98 116.55 136.71 1puz n ASP 5 Ca 0.26 -2.71 0.02 0.00 -0.53 0.00 0.00 54.79 51.84 1puz n ASP 5 Cb 0.50 3.23 0.12 0.00 -0.64 0.00 0.00 41.12 44.33 1puz n ASP 5 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1puz h ASP 6 N 1.95 -0.14 -0.22 -2.24 5.19 -2.00 0.73 116.42 119.70 1puz h ASP 6 Ca -0.30 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.30 1puz h ASP 6 Cb 1.20 0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.89 1puz h ASP 6 CO 0.40 -0.07 -0.11 0.40 -3.12 0.00 0.00 179.24 176.74 1puz h ILE 7 N 0.19 0.65 -0.65 0.35 5.03 -1.96 0.75 117.51 121.87 1puz h ILE 7 Ca 0.35 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 65.21 1puz h ILE 7 Cb 0.56 0.65 -0.13 0.00 -3.03 0.00 0.00 36.82 34.88 1puz h ILE 7 CO -0.50 0.00 -0.20 0.00 -0.68 0.00 0.00 178.15 176.77 1puz h ALA 8 N 1.09 0.34 -0.24 1.87 0.00 -1.10 1.00 119.26 122.22 1puz h ALA 8 Ca 0.12 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1puz h ALA 8 Cb 0.27 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1puz h ALA 8 CO -0.27 -0.47 0.01 -0.22 0.00 0.00 0.00 179.25 178.30 1puz h LYS 9 N -0.04 0.41 -0.77 0.00 1.63 -0.40 -2.79 116.57 114.63 1puz h LYS 9 Ca 0.30 -0.13 0.13 0.00 -0.85 0.00 0.00 60.65 60.11 1puz h LYS 9 Cb 0.51 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.01 1puz h LYS 9 CO -0.69 0.58 0.36 0.00 -3.45 0.00 0.00 179.45 176.24 1puz h ARG 10 N 0.20 0.53 -0.42 1.90 3.08 0.33 -0.14 114.38 119.85 1puz h ARG 10 Ca 0.07 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1puz h ARG 10 Cb 0.38 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1puz h ARG 10 CO 0.01 0.35 0.11 -0.22 -1.07 0.00 0.00 179.97 179.15 1puz h LYS 11 N 0.54 0.25 -0.99 0.04 1.63 0.11 0.70 116.57 118.85 1puz h LYS 11 Ca 0.41 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.34 1puz h LYS 11 Cb 0.55 -0.06 -0.16 0.00 -0.60 0.00 0.00 32.23 31.97 1puz h LYS 11 CO -0.35 0.16 -0.41 -0.89 -3.45 0.00 0.00 179.45 174.52 1puz n ILE 12 N -5.06 -0.54 -0.03 2.00 -0.00 -0.07 0.16 119.36 115.82 1puz n ILE 12 Ca 0.03 2.33 -0.15 0.00 -0.00 0.00 0.00 62.75 64.96 1puz n ILE 12 Cb 0.18 -3.05 -0.11 0.00 -0.00 0.00 0.00 39.64 36.66 1puz n ILE 12 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1puz h ARG 13 N 0.00 0.15 -0.22 0.38 3.08 -1.28 -2.73 114.38 113.76 1puz h ARG 13 Ca 0.33 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.30 1puz h ARG 13 Cb 0.57 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1puz h ARG 13 CO -0.98 0.84 0.49 0.35 -1.07 0.00 0.00 179.97 179.61 1puz h PHE 14 N -0.49 0.00 0.02 3.04 3.57 0.25 0.48 116.94 123.82 1puz h PHE 14 Ca -0.02 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 1puz h PHE 14 Cb 0.89 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1puz h PHE 14 CO 0.17 0.00 -0.77 1.96 -2.23 0.00 0.00 178.31 177.44 1puz h GLN 15 N 0.00 0.04 0.00 1.11 1.08 0.16 -3.47 115.11 114.04 1puz h GLN 15 Ca 0.11 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1puz h GLN 15 Cb 1.09 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1puz h GLN 15 CO -0.00 1.04 0.00 0.25 -0.95 0.00 0.00 178.83 179.16 1puz n THR 16 N -4.42 0.00 0.00 -0.54 -2.24 0.16 -4.98 114.28 102.26 1puz n THR 16 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1puz n THR 16 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1puz n THR 16 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1puz n ARG 17 N -1.18 0.00 -0.74 -0.78 3.00 -1.26 -5.00 116.66 110.70 1puz n ARG 17 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1puz n ARG 17 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 32.46 32.79 1puz n ARG 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1puz n ARG 18 N -0.23 4.17 -0.09 -0.14 1.85 -1.26 -4.18 116.66 116.78 1puz n ARG 18 Ca 0.00 -2.56 -0.02 0.00 -1.00 0.00 0.00 57.85 54.26 1puz n ARG 18 Cb 0.00 -2.13 -0.02 0.00 -1.05 0.00 0.00 32.46 29.26 1puz n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1puz n GLY 19 N 0.50 -2.55 3.73 2.89 0.00 -1.26 -4.10 105.19 104.39 1puz n GLY 19 Ca 0.23 0.63 -0.38 0.00 0.00 0.00 0.00 46.02 46.49 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 -6.80 4.29 0.00 0.99 2.01 -1.26 -4.93 118.68 112.98 1puz s LEU 20 Ca -0.03 0.89 0.00 0.00 0.01 0.00 0.00 54.13 55.01 1puz s LEU 20 Cb 0.02 -2.76 0.00 0.00 0.01 0.00 0.00 46.19 43.46 1puz s LEU 20 CO 0.13 -0.01 0.44 -0.11 1.01 0.00 0.00 176.35 177.81 1puz n LEU 21 N 3.61 0.00 -0.34 1.79 7.94 -1.26 0.20 117.00 128.94 1puz n LEU 21 Ca -0.06 0.44 0.08 0.00 -1.11 0.00 0.00 56.01 55.36 1puz n LEU 21 Cb 0.52 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.64 1puz n LEU 21 CO 0.44 0.00 0.66 1.21 -1.11 0.00 0.00 177.39 178.59 1puz n GLU 22 N -0.88 -0.08 0.06 1.96 4.07 -1.26 0.83 120.64 125.34 1puz n GLU 22 Ca 0.00 1.46 -0.12 0.00 -0.06 0.00 0.00 57.16 58.43 1puz n GLU 22 Cb 0.00 -2.21 -0.06 0.00 -0.06 0.00 0.00 31.44 29.11 1puz n GLU 22 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1puz h LEU 23 N 0.00 -1.05 -1.02 4.31 7.12 -1.31 1.60 115.31 124.97 1puz h LEU 23 Ca 0.49 0.13 0.27 0.00 0.13 0.00 0.00 57.88 58.90 1puz h LEU 23 Cb 0.83 0.42 -0.13 0.00 -0.53 0.00 0.00 40.66 41.25 1puz h LEU 23 CO -0.95 -0.41 0.59 -0.78 -0.13 0.00 0.00 178.44 176.77 1puz h ASP 24 N -0.50 0.63 -0.04 1.25 3.58 0.87 0.31 116.42 122.52 1puz h ASP 24 Ca 0.06 0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 1puz h ASP 24 Cb 0.59 0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.70 1puz h ASP 24 CO -0.28 0.04 -0.33 -0.07 -2.88 0.00 0.00 179.24 175.72 1puz h LEU 25 N 0.51 0.35 -0.47 2.28 3.38 0.46 -3.22 115.31 118.60 1puz h LEU 25 Ca 0.67 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1puz h LEU 25 Cb 1.36 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1puz h LEU 25 CO -0.50 1.00 -0.48 0.40 0.09 0.00 0.00 178.44 178.94 1puz h ILE 26 N -0.26 0.00 -0.11 1.22 2.04 0.59 1.48 117.51 122.47 1puz h ILE 26 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1puz h ILE 26 Cb 1.01 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1puz h ILE 26 CO 0.07 0.00 0.51 -0.26 0.00 0.00 0.00 178.15 178.47 1puz h PHE 27 N -0.25 0.00 0.99 1.37 0.04 -1.14 0.36 116.94 118.31 1puz h PHE 27 Ca 0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1puz h PHE 27 Cb 0.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.62 1puz h PHE 27 CO -0.78 0.00 -0.48 0.78 -0.60 0.00 0.00 178.31 177.23 1puz h GLY 28 N 0.00 -1.39 0.27 -1.45 0.00 0.21 -2.81 103.07 97.90 1puz h GLY 28 Ca 0.05 0.52 -0.20 0.00 0.00 0.00 0.00 47.33 47.70 1puz h GLY 28 CO -0.00 -0.51 -1.02 3.21 0.00 0.00 0.00 176.54 178.22 1puz h ARG 29 N -1.33 0.12 -0.36 4.80 2.47 -1.13 -3.20 114.38 115.74 1puz h ARG 29 Ca -0.14 -0.20 0.03 0.00 -1.26 0.00 0.00 59.98 58.42 1puz h ARG 29 Cb 1.02 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.37 1puz h ARG 29 CO 0.22 1.10 -0.21 0.34 0.56 0.00 0.00 179.97 181.97 1puz n PHE 30 N -4.24 -0.16 -0.14 3.04 7.35 0.12 -0.57 117.46 122.86 1puz n PHE 30 Ca -0.23 0.45 -0.05 0.00 -0.76 0.00 0.00 57.45 56.86 1puz n PHE 30 Cb 0.74 -0.51 0.03 0.00 0.35 0.00 0.00 39.48 40.09 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 0.40 -1.38 -4.13 4.05 -1.68 0.32 114.93 112.50 1puz h MET 31 Ca 0.06 -0.02 0.40 0.00 -0.28 0.00 0.00 59.70 59.85 1puz h MET 31 Cb 0.15 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.80 1puz h MET 31 CO -0.34 0.26 1.03 1.49 0.23 0.00 0.00 176.91 179.58 1puz h GLU 32 N 0.41 0.00 0.03 0.39 4.81 -0.83 1.53 114.58 120.92 1puz h GLU 32 Ca 0.19 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.06 1puz h GLU 32 Cb 0.12 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1puz h GLU 32 CO -0.15 0.00 -2.06 1.63 -0.73 0.00 0.00 179.01 177.70 1puz n LYS 33 N -4.04 0.64 0.00 1.92 5.02 -0.13 -3.93 118.16 117.65 1puz n LYS 33 Ca 0.30 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1puz n LYS 33 Cb 1.47 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1puz n GLU 34 N -3.88 0.00 -0.18 1.97 4.71 0.96 -3.82 120.64 120.40 1puz n GLU 34 Ca -0.41 0.27 0.28 0.00 -0.01 0.00 0.00 57.16 57.28 1puz n GLU 34 Cb 0.90 -0.82 0.51 0.00 -1.01 0.00 0.00 31.44 31.02 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 -0.75 -0.32 3.04 0.18 -1.49 116.94 117.60 1puz h PHE 35 Ca 0.00 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 1puz h PHE 35 Cb 0.00 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.41 1puz h PHE 35 CO 0.01 0.00 -0.38 -1.91 -2.02 0.00 0.00 178.31 174.01 1puz n GLU 36 N -3.35 -0.27 -2.69 1.11 4.07 -0.50 -3.39 120.64 115.62 1puz n GLU 36 Ca 0.21 1.14 -0.08 0.00 -0.06 0.00 0.00 57.16 58.37 1puz n GLU 36 Cb 1.39 -1.68 0.09 0.00 -0.06 0.00 0.00 31.44 31.18 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 -5.01 -1.21 -1.55 4.31 -0.00 -0.60 -5.09 115.22 106.07 1puz n HIS 37 Ca 0.04 -2.25 -0.45 0.00 0.46 0.00 0.00 57.72 55.52 1puz n HIS 37 Cb 0.24 0.90 -0.02 0.00 -0.12 0.00 0.00 29.99 30.99 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 -0.38 1.23 -4.77 0.27 4.77 -0.96 -4.93 117.00 112.23 1puz n LEU 38 Ca 0.02 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.87 1puz n LEU 38 Cb 0.83 -1.23 0.14 0.00 -2.33 0.00 0.00 43.42 40.83 1puz n LEU 38 CO 0.05 -1.72 0.70 -0.44 -1.33 0.00 0.00 177.39 174.65 1puz s SER 39 N -0.65 3.46 0.00 -1.43 0.01 -1.26 -4.79 113.70 109.04 1puz s SER 39 Ca 0.60 1.03 -0.25 0.00 1.31 0.00 0.00 55.95 58.63 1puz s SER 39 Cb -0.73 -1.63 -0.19 0.00 0.21 0.00 0.00 66.02 63.68 1puz s SER 39 CO 0.59 -2.59 1.33 0.44 0.41 0.00 0.00 173.24 173.42 1puz h ASP 40 N -1.52 -0.08 -0.49 2.44 3.32 -1.99 0.44 116.42 118.54 1puz h ASP 40 Ca -0.51 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.15 1puz h ASP 40 Cb 1.33 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1puz h ASP 40 CO 0.61 0.30 0.09 0.50 -1.72 0.00 0.00 179.24 179.02 1puz h LYS 41 N -0.47 0.81 -0.63 3.56 3.64 -2.01 -2.79 116.57 118.68 1puz h LYS 41 Ca -0.01 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1puz h LYS 41 Cb 0.41 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1puz h LYS 41 CO 0.02 0.80 0.31 0.93 -2.27 0.00 0.00 179.45 179.24 1puz h GLU 42 N 0.68 0.91 -0.36 1.90 5.08 -1.92 -2.83 114.58 118.03 1puz h GLU 42 Ca 0.15 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1puz h GLU 42 Cb 0.38 -0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 1puz h GLU 42 CO 0.01 0.72 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.31 1puz h LEU 43 N 0.87 -1.18 -0.51 1.33 3.38 0.15 0.19 115.31 119.54 1puz h LEU 43 Ca 0.22 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.48 1puz h LEU 43 Cb 0.11 0.53 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1puz h LEU 43 CO -0.03 -0.34 -0.28 -1.28 0.09 0.00 0.00 178.44 176.60 1puz h SER 44 N -0.30 -0.96 0.24 -0.43 0.87 -1.30 -0.93 113.55 110.73 1puz h SER 44 Ca 0.15 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.92 1puz h SER 44 Cb 0.56 0.49 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1puz h SER 44 CO -0.52 -0.28 -0.42 -0.33 -0.53 0.00 0.00 176.83 174.74 1puz h GLU 45 N -0.16 -0.71 -0.96 2.24 4.39 -0.92 -1.00 114.58 117.45 1puz h GLU 45 Ca 0.22 0.05 0.31 0.00 0.34 0.00 0.00 59.36 60.28 1puz h GLU 45 Cb 0.52 0.16 -0.16 0.00 -0.10 0.00 0.00 28.75 29.16 1puz h GLU 45 CO -0.60 -0.47 0.34 0.74 -1.16 0.00 0.00 179.01 177.86 1puz h PHE 46 N -0.74 0.51 -0.41 4.33 -1.00 0.34 1.81 116.94 121.79 1puz h PHE 46 Ca -0.00 0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 1puz h PHE 46 Cb 0.71 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1puz h PHE 46 CO -0.31 -0.33 -0.13 0.66 -1.61 0.00 0.00 178.31 176.59 1puz h SER 47 N 0.13 0.73 -0.21 2.17 4.64 -0.19 1.55 113.55 122.36 1puz h SER 47 Ca 0.68 -0.22 -0.21 0.00 -0.47 0.00 0.00 61.79 61.58 1puz h SER 47 Cb 1.57 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1puz h SER 47 CO -0.74 0.88 -0.68 -0.33 -0.87 0.00 0.00 176.83 175.09 1puz h GLU 48 N 0.67 0.84 -0.00 4.77 5.08 0.36 -2.68 114.58 123.61 1puz h GLU 48 Ca 0.11 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1puz h GLU 48 Cb 0.60 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1puz h GLU 48 CO 0.04 1.23 -0.01 0.82 -1.00 0.00 0.00 179.01 180.09 1puz h ILE 49 N 0.60 1.62 -0.31 3.13 2.04 0.92 -3.08 117.51 122.44 1puz h ILE 49 Ca -0.02 -1.83 0.09 0.00 1.00 0.00 0.00 64.86 64.09 1puz h ILE 49 Cb 1.30 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.23 1puz h ILE 49 CO 0.14 0.48 0.52 -0.07 0.00 0.00 0.00 178.15 179.22 1puz h LEU 50 N -0.76 0.00 -1.42 1.44 3.38 0.22 -1.21 115.31 116.95 1puz h LEU 50 Ca -0.00 0.00 0.46 0.00 0.09 0.00 0.00 57.88 58.43 1puz h LEU 50 Cb 0.79 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.43 1puz h LEU 50 CO 0.00 0.00 0.96 -0.62 0.09 0.00 0.00 178.44 178.87 1puz n GLU 51 N -3.32 -0.02 -2.90 1.13 -0.58 -1.01 -4.24 120.64 109.69 1puz n GLU 51 Ca 0.05 1.07 -0.33 0.00 -0.42 0.00 0.00 57.16 57.53 1puz n GLU 51 Cb 0.66 -2.22 -0.07 0.00 -0.57 0.00 0.00 31.44 29.24 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 -4.93 3.39 0.79 -0.32 0.08 -0.46 -5.07 117.98 111.45 1puz s PHE 52 Ca -0.06 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.43 1puz s PHE 52 Cb 0.26 -2.77 0.17 0.00 -0.57 0.00 0.00 43.02 40.11 1puz s PHE 52 CO 0.75 -0.00 1.07 0.00 -0.10 0.00 0.00 175.22 176.95 1puz n GLN 53 N -0.37 -0.71 0.25 0.44 0.00 -1.26 -4.66 117.38 111.08 1puz n GLN 53 Ca 0.05 -2.09 -0.14 0.00 0.00 0.00 0.00 57.00 54.83 1puz n GLN 53 Cb 0.53 -0.97 -0.07 0.00 0.00 0.00 0.00 30.24 29.73 1puz n GLN 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1puz h ASP 54 N -1.15 -0.97 -0.51 2.61 5.19 -1.94 1.62 116.42 121.28 1puz h ASP 54 Ca -0.35 0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.19 1puz h ASP 54 Cb 1.08 0.31 -0.09 0.00 0.18 0.00 0.00 39.33 40.80 1puz h ASP 54 CO 0.29 -0.51 -0.56 -0.61 -3.12 0.00 0.00 179.24 174.73 1puz h GLN 55 N -0.78 -0.32 0.25 3.56 -0.00 -1.94 0.96 115.11 116.84 1puz h GLN 55 Ca -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1puz h GLN 55 Cb 0.66 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 1puz h GLN 55 CO -0.00 -0.21 -0.28 0.93 0.00 0.00 0.00 178.83 179.27 1puz h GLU 56 N -0.33 -0.55 -0.29 1.69 5.08 -1.90 -0.26 114.58 118.01 1puz h GLU 56 Ca 0.09 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1puz h GLU 56 Cb 0.57 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1puz h GLU 56 CO -0.65 -0.37 -0.53 1.25 -1.00 0.00 0.00 179.01 177.71 1puz h LEU 57 N -0.57 -1.74 -0.36 1.33 5.85 0.34 0.53 115.31 120.69 1puz h LEU 57 Ca -0.00 0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1puz h LEU 57 Cb 0.53 0.70 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 1puz h LEU 57 CO -0.07 -0.43 -0.54 0.25 -0.34 0.00 0.00 178.44 177.31 1puz h LEU 58 N -0.46 -1.78 -0.68 2.25 5.85 0.12 0.19 115.31 120.80 1puz h LEU 58 Ca 0.07 0.23 0.15 0.00 0.84 0.00 0.00 57.88 59.17 1puz h LEU 58 Cb 0.63 0.73 -0.12 0.00 0.37 0.00 0.00 40.66 42.27 1puz h LEU 58 CO -0.53 -0.41 -0.02 0.00 -0.34 0.00 0.00 178.44 177.13 1puz h ALA 59 N -0.01 0.65 -0.76 1.25 0.00 0.03 0.61 119.26 121.02 1puz h ALA 59 Ca 0.08 0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.36 1puz h ALA 59 Cb 0.61 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1puz h ALA 59 CO -0.57 -0.41 0.29 -0.07 0.00 0.00 0.00 179.25 178.49 1puz h LEU 60 N 0.09 0.25 0.37 0.00 3.38 0.29 2.01 115.31 121.70 1puz h LEU 60 Ca 0.36 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1puz h LEU 60 Cb 0.60 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1puz h LEU 60 CO -0.61 0.08 -0.18 0.40 0.09 0.00 0.00 178.44 178.21 1puz h ILE 61 N 0.42 0.61 -0.65 1.22 1.08 0.21 -2.66 117.51 117.74 1puz h ILE 61 Ca 0.43 -0.43 0.15 0.00 -0.39 0.00 0.00 64.86 64.61 1puz h ILE 61 Cb 0.67 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 1puz h ILE 61 CO -0.43 0.08 0.45 0.78 -0.69 0.00 0.00 178.15 178.34 1puz h ASN 62 N -0.76 0.22 0.00 1.72 -0.26 0.58 -3.45 115.58 113.64 1puz h ASN 62 Ca -0.05 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1puz h ASN 62 Cb 0.51 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1puz h ASN 62 CO 0.08 0.12 0.00 0.61 -1.06 0.00 0.00 177.43 177.18 1puz n GLY 63 N -1.57 1.92 0.00 2.83 0.00 0.42 -5.07 105.19 103.71 1puz n GLY 63 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.39 0.00 -0.51 1.61 -0.00 0.58 -4.94 115.22 111.57 1puz n HIS 64 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 1puz n HIS 64 Cb 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 29.99 30.24 1puz n HIS 64 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1puz s SER 65 N -1.00 1.10 0.36 0.41 0.01 -1.25 -4.86 113.70 108.47 1puz s SER 65 Ca 0.00 1.66 0.04 0.00 1.31 0.00 0.00 55.95 58.96 1puz s SER 65 Cb 0.00 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1puz s SER 65 CO 0.00 -4.15 0.07 -1.61 0.41 0.00 0.00 173.24 167.96 1puz s GLU 66 N -4.45 1.78 -0.12 12.44 0.41 -1.26 -4.48 118.70 123.03 1puz s GLU 66 Ca 0.68 -2.03 0.01 0.00 -0.41 0.00 0.00 54.97 53.22 1puz s GLU 66 Cb -0.25 -0.88 0.02 0.00 -1.78 0.00 0.00 34.13 31.24 1puz s GLU 66 CO 0.64 -0.27 -0.13 -0.08 -0.49 0.00 0.00 175.26 174.93 1puz s THR 67 N -3.22 1.37 -0.50 3.63 -1.32 -1.26 -4.99 115.64 109.35 1puz s THR 67 Ca 0.31 -0.53 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 1puz s THR 67 Cb 0.07 -1.29 0.38 0.00 -1.51 0.00 0.00 72.50 70.15 1puz s THR 67 CO 0.14 0.42 1.22 -0.67 -2.21 0.00 0.00 174.62 173.53 1puz n ASP 68 N 4.55 3.36 -3.73 8.08 2.03 -1.26 -4.72 116.55 124.87 1puz n ASP 68 Ca -0.17 -2.56 -0.23 0.00 0.52 0.00 0.00 54.79 52.34 1puz n ASP 68 Cb 0.51 -0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 40.11 1puz n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1puz s LYS 69 N -1.80 0.41 0.00 -0.67 1.02 -1.26 -4.99 119.74 112.45 1puz s LYS 69 Ca 0.27 0.07 0.15 0.00 0.02 0.00 0.00 55.97 56.49 1puz s LYS 69 Cb 0.22 -1.12 0.74 0.00 -0.52 0.00 0.00 37.83 37.15 1puz s LYS 69 CO 0.07 -0.39 1.43 0.41 -0.92 0.00 0.00 175.35 175.95 1puz n GLY 70 N 5.18 -0.82 0.00 -3.33 0.00 -1.26 -1.83 105.19 103.13 1puz n GLY 70 Ca -0.06 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.32 0.00 -0.08 1.61 -0.00 -1.26 -2.98 115.22 111.19 1puz n HIS 71 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.69 1puz n HIS 71 Cb 0.13 -0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 29.80 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 -1.22 1.16 -0.31 2.41 4.77 -0.76 -4.06 117.00 118.99 1puz n LEU 72 Ca 0.15 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.13 1puz n LEU 72 Cb 0.19 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1puz n LEU 72 CO 0.20 0.54 0.55 -0.38 -1.33 0.00 0.00 177.39 176.97 1puz n ILE 73 N -2.74 -0.38 0.08 -0.08 5.41 -1.16 0.25 119.36 120.75 1puz n ILE 73 Ca -0.27 1.97 -0.06 0.00 1.00 0.00 0.00 62.75 65.38 1puz n ILE 73 Cb 0.93 -2.70 -0.03 0.00 -0.71 0.00 0.00 39.64 37.13 1puz n ILE 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1puz h PRO 74 N 0.00 -0.30 -0.24 0.38 0.13 -1.80 -3.10 132.00 127.07 1puz h PRO 74 Ca 0.39 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.61 1puz h PRO 74 Cb 0.60 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1puz h PRO 74 CO -0.87 -0.14 0.61 0.52 -0.23 0.00 0.00 178.00 177.89 1puz h MET 75 N -1.06 0.00 -0.03 0.86 2.86 -1.33 1.06 114.93 117.28 1puz h MET 75 Ca -0.03 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.36 1puz h MET 75 Cb 0.30 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.98 1puz h MET 75 CO 0.05 0.00 -0.96 -0.07 1.06 0.00 0.00 176.91 176.99 1puz h LEU 76 N 0.00 0.89 0.06 1.22 3.38 0.33 0.43 115.31 121.62 1puz h LEU 76 Ca 0.11 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1puz h LEU 76 Cb 1.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1puz h LEU 76 CO -0.00 1.49 -0.03 -0.33 0.09 0.00 0.00 178.44 179.66 1puz h GLU 77 N 0.38 -0.08 -0.06 1.13 4.39 0.12 1.85 114.58 122.30 1puz h GLU 77 Ca -0.11 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1puz h GLU 77 Cb 1.61 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1puz h GLU 77 CO 0.19 -0.01 -0.00 1.57 -1.16 0.00 0.00 179.01 179.60 1puz h LYS 78 N -0.13 0.11 0.24 2.33 2.10 -1.51 -1.39 116.57 118.31 1puz h LYS 78 Ca -0.01 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1puz h LYS 78 Cb 0.11 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1puz h LYS 78 CO 0.01 0.39 -0.11 0.82 -2.00 0.00 0.00 179.45 178.56 1puz h ILE 79 N -0.18 0.00 -0.89 0.07 2.04 -0.79 -2.36 117.51 115.40 1puz h ILE 79 Ca 0.02 -0.02 0.26 0.00 1.00 0.00 0.00 64.86 66.11 1puz h ILE 79 Cb 0.34 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 1puz h ILE 79 CO 0.00 0.00 1.01 0.08 0.00 0.00 0.00 178.15 179.24 1puz h ARG 80 N -0.34 0.00 0.00 2.37 -0.00 0.28 -0.84 114.38 115.85 1puz h ARG 80 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1puz h ARG 80 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.21 1puz h ARG 80 CO 0.05 0.00 0.00 -2.13 -0.00 0.00 0.00 179.97 177.89 1puz n ARG 81 N -3.39 0.00 0.00 0.08 0.63 -0.52 -5.04 116.66 108.42 1puz n ARG 81 Ca 0.19 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1puz n ARG 81 Cb 1.29 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1puz n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12