#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 1.04 0.48 0.03 0.00 -1.26 -5.17 119.30 114.42 1puz s MET 2 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 55.69 55.35 1puz s MET 2 Cb 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 34.83 35.25 1puz s MET 2 CO 0.00 -0.42 0.86 0.08 0.00 0.00 0.00 175.02 175.54 1puz s VAL 3 N -2.86 4.74 0.00 5.16 1.01 -1.26 -5.04 120.40 122.15 1puz s VAL 3 Ca -0.00 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1puz s VAL 3 Cb -0.01 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1puz s VAL 3 CO -0.06 -0.72 0.00 0.33 0.00 0.00 0.00 175.10 174.65 1puz n PHE 4 N -1.77 0.00 -3.47 5.22 7.35 -1.26 -4.98 117.46 118.54 1puz n PHE 4 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1puz n PHE 4 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 1puz n PHE 4 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1puz n ASP 5 N 0.00 1.30 -0.45 -2.13 8.00 -1.26 -4.88 116.55 117.12 1puz n ASP 5 Ca 0.00 -0.47 0.39 0.00 0.71 0.00 0.00 54.79 55.42 1puz n ASP 5 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.82 1puz n ASP 5 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1puz h ASP 6 N 0.00 0.10 0.60 -2.24 3.58 -2.03 0.38 116.42 116.81 1puz h ASP 6 Ca 0.00 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1puz h ASP 6 Cb 0.00 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1puz h ASP 6 CO 0.00 -0.02 -0.29 0.40 -2.88 0.00 0.00 179.24 176.45 1puz h ILE 7 N 0.06 0.16 -1.08 2.25 2.04 -2.00 -2.88 117.51 116.07 1puz h ILE 7 Ca 0.72 -0.38 0.37 0.00 1.00 0.00 0.00 64.86 66.57 1puz h ILE 7 Cb 2.65 0.23 -0.15 0.00 -0.74 0.00 0.00 36.82 38.82 1puz h ILE 7 CO -0.12 0.03 0.63 0.00 0.00 0.00 0.00 178.15 178.69 1puz h ALA 8 N -1.00 2.20 0.49 1.87 0.00 -0.62 0.53 119.26 122.72 1puz h ALA 8 Ca -0.08 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1puz h ALA 8 Cb 0.66 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1puz h ALA 8 CO 0.14 -0.85 -0.48 -0.22 0.00 0.00 0.00 179.25 177.84 1puz h LYS 9 N 0.20 -0.93 -0.97 0.00 3.64 -1.14 0.25 116.57 117.62 1puz h LYS 9 Ca 0.77 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 60.22 1puz h LYS 9 Cb 2.01 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 33.99 1puz h LYS 9 CO -0.59 -0.62 0.60 0.00 -2.27 0.00 0.00 179.45 176.58 1puz h ARG 10 N -0.97 1.30 0.32 1.90 3.08 -0.01 -2.84 114.38 117.17 1puz h ARG 10 Ca -0.06 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1puz h ARG 10 Cb 0.84 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1puz h ARG 10 CO -0.06 0.89 -0.48 -0.22 -1.07 0.00 0.00 179.97 179.03 1puz h LYS 11 N 1.33 -0.82 -0.96 0.04 3.64 0.35 1.62 116.57 121.76 1puz h LYS 11 Ca 0.35 0.06 0.29 0.00 -1.27 0.00 0.00 60.65 60.07 1puz h LYS 11 Cb -0.09 0.19 -0.18 0.00 -0.41 0.00 0.00 32.23 31.74 1puz h LYS 11 CO -0.07 -0.55 0.10 1.51 -2.27 0.00 0.00 179.45 178.18 1puz n ILE 12 N -5.52 -0.40 0.07 2.00 0.00 0.82 0.45 119.36 116.79 1puz n ILE 12 Ca -0.10 2.08 -0.05 0.00 0.00 0.00 0.00 62.75 64.68 1puz n ILE 12 Cb 0.43 -3.09 -0.02 0.00 0.00 0.00 0.00 39.64 36.95 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 -0.27 -1.35 9.51 3.08 -1.11 -2.48 114.38 121.75 1puz h ARG 13 Ca 0.62 0.02 0.39 0.00 0.07 0.00 0.00 59.98 61.08 1puz h ARG 13 Cb 1.36 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.42 1puz h ARG 13 CO -0.87 -0.15 1.23 0.35 -1.07 0.00 0.00 179.97 179.45 1puz h PHE 14 N -1.07 0.00 0.00 3.04 3.04 0.43 0.31 116.94 122.69 1puz h PHE 14 Ca -0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1puz h PHE 14 Cb 0.25 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1puz h PHE 14 CO 0.01 0.00 -0.13 1.96 -2.02 0.00 0.00 178.31 178.12 1puz h GLN 15 N 0.00 0.00 0.00 1.11 1.08 -0.02 -3.41 115.11 113.87 1puz h GLN 15 Ca 0.64 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.84 1puz h GLN 15 Cb 3.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.52 1puz h GLN 15 CO -0.01 0.22 0.00 0.25 -0.95 0.00 0.00 178.83 178.34 1puz n THR 16 N -4.71 0.00 -1.33 -0.54 -2.24 0.10 -4.51 114.28 101.05 1puz n THR 16 Ca -0.04 1.07 -0.52 0.00 -2.27 0.00 0.00 64.05 62.29 1puz n THR 16 Cb 0.16 -1.70 -0.07 0.00 -2.10 0.00 0.00 70.33 66.61 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 -1.12 0.00 0.00 -0.78 1.85 -0.85 -4.77 116.66 110.98 1puz n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1puz n ARG 17 Cb 0.00 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 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 2.45 0.00 -0.28 2.89 0.63 -1.26 -4.91 116.66 116.18 1puz n ARG 18 Ca 0.22 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.10 1puz n ARG 18 Cb -0.01 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.00 1puz n ARG 18 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1puz h GLY 19 N 0.00 1.25 -6.80 5.14 0.00 -1.97 -3.40 103.07 97.28 1puz h GLY 19 Ca 0.00 -0.64 -0.58 0.00 0.00 0.00 0.00 47.33 46.11 1puz h GLY 19 CO 0.00 0.61 1.28 1.08 0.00 0.00 0.00 176.54 179.51 1puz s LEU 20 N -9.73 3.54 0.01 3.11 2.01 -1.26 -4.88 118.68 111.49 1puz s LEU 20 Ca -0.12 1.40 -0.22 0.00 0.01 0.00 0.00 54.13 55.20 1puz s LEU 20 Cb 0.16 -3.53 -0.12 0.00 0.01 0.00 0.00 46.19 42.71 1puz s LEU 20 CO 0.83 -1.68 1.06 0.25 1.01 0.00 0.00 176.35 177.82 1puz h LEU 21 N 13.55 -0.67 -0.81 1.79 5.85 -2.01 -2.70 115.31 130.30 1puz h LEU 21 Ca -0.35 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.59 1puz h LEU 21 Cb 1.17 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 42.23 1puz h LEU 21 CO 1.02 -0.37 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.65 1puz h GLU 22 N -1.01 0.07 -0.91 1.25 4.57 -1.97 1.47 114.58 118.06 1puz h GLU 22 Ca -0.08 -0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.30 1puz h GLU 22 Cb 0.61 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.11 1puz h GLU 22 CO 0.13 0.05 0.60 1.25 -1.18 0.00 0.00 179.01 179.86 1puz h LEU 23 N 0.07 0.43 -1.81 1.64 5.85 -1.95 1.29 115.31 120.83 1puz h LEU 23 Ca 0.45 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 1puz h LEU 23 Cb 0.81 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1puz h LEU 23 CO -0.74 0.17 -0.15 -0.78 -0.34 0.00 0.00 178.44 176.60 1puz h ASP 24 N 0.42 0.00 0.19 1.25 3.58 0.24 -2.38 116.42 119.72 1puz h ASP 24 Ca 0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.91 1puz h ASP 24 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1puz h ASP 24 CO -0.19 0.15 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.16 1puz h LEU 25 N 0.00 -0.22 -0.71 2.28 3.38 0.19 -3.18 115.31 117.05 1puz h LEU 25 Ca -0.00 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1puz h LEU 25 Cb 0.33 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 1puz h LEU 25 CO 0.02 0.28 -0.45 0.40 0.09 0.00 0.00 178.44 178.78 1puz h ILE 26 N -1.05 0.00 -1.00 1.22 2.04 -1.15 0.49 117.51 118.06 1puz h ILE 26 Ca -0.03 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.08 1puz h ILE 26 Cb 0.29 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.18 1puz h ILE 26 CO 0.04 0.00 -0.09 -0.26 0.00 0.00 0.00 178.15 177.84 1puz h PHE 27 N -0.04 -0.26 -0.86 1.37 0.04 -1.57 0.80 116.94 116.43 1puz h PHE 27 Ca 0.11 0.08 0.18 0.00 2.80 0.00 0.00 57.97 61.14 1puz h PHE 27 Cb 0.33 0.27 -0.16 0.00 2.20 0.00 0.00 35.95 38.59 1puz h PHE 27 CO -0.97 -0.44 -0.19 0.78 -0.60 0.00 0.00 178.31 176.89 1puz h GLY 28 N 0.00 0.66 0.00 -1.45 0.00 0.01 0.39 103.07 102.68 1puz h GLY 28 Ca 0.55 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 48.10 1puz h GLY 28 CO -0.98 -0.33 -0.42 3.21 0.00 0.00 0.00 176.54 178.02 1puz h ARG 29 N 0.01 0.00 -0.87 4.80 3.08 0.18 -3.06 114.38 118.52 1puz h ARG 29 Ca 0.42 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.63 1puz h ARG 29 Cb 0.66 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.55 1puz h ARG 29 CO -0.87 0.40 -0.26 0.34 -1.07 0.00 0.00 179.97 178.51 1puz n PHE 30 N -4.62 0.22 0.34 3.04 7.35 0.22 0.64 117.46 124.65 1puz n PHE 30 Ca -0.11 1.07 -0.15 0.00 -0.76 0.00 0.00 57.45 57.51 1puz n PHE 30 Cb 0.32 -0.95 -0.07 0.00 0.35 0.00 0.00 39.48 39.13 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 -0.88 -0.54 -4.13 2.86 -0.40 1.39 114.93 113.24 1puz h MET 31 Ca 0.38 0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.24 1puz h MET 31 Cb 0.60 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1puz h MET 31 CO -0.89 -0.57 0.74 1.49 1.06 0.00 0.00 176.91 178.74 1puz h GLU 32 N -1.21 0.00 0.05 1.72 4.81 -0.87 1.70 114.58 120.78 1puz h GLU 32 Ca -0.09 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.78 1puz h GLU 32 Cb 0.71 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1puz h GLU 32 CO 0.15 0.00 -2.04 1.63 -0.73 0.00 0.00 179.01 178.02 1puz n LYS 33 N -3.34 0.66 0.00 1.92 4.76 0.21 -4.14 118.16 118.24 1puz n LYS 33 Ca 0.11 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1puz n LYS 33 Cb 0.93 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 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 -3.76 0.00 -0.56 1.97 4.71 0.48 -3.77 120.64 119.71 1puz n GLU 34 Ca -0.39 0.13 0.44 0.00 -0.01 0.00 0.00 57.16 57.33 1puz n GLU 34 Cb 0.93 -0.54 0.70 0.00 -1.01 0.00 0.00 31.44 31.52 1puz n GLU 34 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1puz n PHE 35 N -1.98 0.29 -0.07 -0.32 7.35 0.54 0.25 117.46 123.52 1puz n PHE 35 Ca 0.00 0.29 -0.12 0.00 -0.76 0.00 0.00 57.45 56.87 1puz n PHE 35 Cb 0.00 -0.74 -0.05 0.00 0.35 0.00 0.00 39.48 39.04 1puz n PHE 35 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1puz h GLU 36 N 0.00 0.40 0.08 -4.13 4.81 -0.91 -3.20 114.58 111.62 1puz h GLU 36 Ca 0.84 -0.14 -0.28 0.00 -0.13 0.00 0.00 59.36 59.65 1puz h GLU 36 Cb 3.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 32.44 1puz h GLU 36 CO -0.20 0.62 -1.43 1.25 -0.73 0.00 0.00 179.01 178.53 1puz h HIS 37 N 0.14 0.30 -1.79 0.92 2.76 0.33 -3.47 115.15 114.36 1puz h HIS 37 Ca 0.06 -0.22 -0.17 0.00 -2.20 0.00 0.00 60.37 57.84 1puz h HIS 37 Cb 0.46 -0.01 0.10 0.00 1.55 0.00 0.00 27.41 29.50 1puz h HIS 37 CO 0.04 1.25 -0.08 1.28 -1.30 0.00 0.00 177.93 179.12 1puz n LEU 38 N -3.38 0.00 0.00 0.26 4.77 0.68 -5.04 117.00 114.28 1puz n LEU 38 Ca -0.13 -0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 55.43 1puz n LEU 38 Cb 1.02 -0.63 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1puz n LEU 38 CO 0.49 -2.25 0.31 -0.24 -1.33 0.00 0.00 177.39 174.37 1puz n SER 39 N -1.89 -0.98 -0.25 -1.43 2.88 -1.26 -4.93 113.62 105.75 1puz n SER 39 Ca 0.06 -1.62 0.06 0.00 -1.33 0.00 0.00 58.87 56.04 1puz n SER 39 Cb 0.27 1.62 0.17 0.00 -0.75 0.00 0.00 64.21 65.53 1puz n SER 39 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1puz h ASP 40 N 0.94 -0.17 0.13 -3.46 5.19 -1.96 2.02 116.42 119.11 1puz h ASP 40 Ca -0.15 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1puz h ASP 40 Cb 0.58 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1puz h ASP 40 CO 0.19 -0.12 -0.15 0.50 -3.12 0.00 0.00 179.24 176.54 1puz h LYS 41 N 0.17 -0.28 -0.79 3.56 3.64 -2.00 -2.02 116.57 118.85 1puz h LYS 41 Ca 0.42 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.92 1puz h LYS 41 Cb 0.73 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 1puz h LYS 41 CO -0.59 -0.19 0.42 0.93 -2.27 0.00 0.00 179.45 177.76 1puz h GLU 42 N -0.29 0.67 -0.95 1.90 4.39 -1.71 -0.56 114.58 118.02 1puz h GLU 42 Ca -0.02 -0.04 0.29 0.00 0.34 0.00 0.00 59.36 59.94 1puz h GLU 42 Cb 0.26 -0.15 -0.17 0.00 -0.10 0.00 0.00 28.75 28.59 1puz h GLU 42 CO -0.03 0.44 0.25 -0.07 -1.16 0.00 0.00 179.01 178.45 1puz h LEU 43 N 0.69 -0.06 -0.15 1.33 3.38 0.36 0.49 115.31 121.34 1puz h LEU 43 Ca 0.39 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.65 1puz h LEU 43 Cb 0.42 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1puz h LEU 43 CO -0.28 -0.29 -0.42 -1.28 0.09 0.00 0.00 178.44 176.27 1puz h SER 44 N 0.10 -1.32 0.07 -0.43 0.87 -0.37 -0.65 113.55 111.82 1puz h SER 44 Ca 0.65 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 61.38 1puz h SER 44 Cb 1.45 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1puz h SER 44 CO -0.77 -0.42 -0.03 -0.33 -0.53 0.00 0.00 176.83 174.74 1puz h GLU 45 N -0.48 -0.09 -0.98 2.24 4.39 -0.26 -2.66 114.58 116.75 1puz h GLU 45 Ca 0.08 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.95 1puz h GLU 45 Cb 0.62 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 29.12 1puz h GLU 45 CO -0.41 -0.01 -0.35 0.35 -1.16 0.00 0.00 179.01 177.44 1puz h PHE 46 N -0.15 -0.93 -0.98 4.33 3.04 -0.07 1.28 116.94 123.46 1puz h PHE 46 Ca -0.01 0.10 0.03 0.00 3.98 0.00 0.00 57.97 62.07 1puz h PHE 46 Cb 0.12 0.55 -0.06 0.00 2.56 0.00 0.00 35.95 39.13 1puz h PHE 46 CO -0.05 -0.41 0.64 1.03 -2.02 0.00 0.00 178.31 177.50 1puz h SER 47 N -0.01 1.08 -0.53 0.41 0.87 -0.96 1.48 113.55 115.90 1puz h SER 47 Ca 0.38 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1puz h SER 47 Cb 0.63 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1puz h SER 47 CO -0.99 0.75 0.33 -0.33 -0.53 0.00 0.00 176.83 176.06 1puz h GLU 48 N 1.26 0.71 0.13 2.24 5.08 0.18 -0.33 114.58 123.84 1puz h GLU 48 Ca 0.38 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1puz h GLU 48 Cb -0.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1puz h GLU 48 CO -0.12 0.50 -0.06 0.82 -1.00 0.00 0.00 179.01 179.15 1puz h ILE 49 N 0.71 0.86 -1.27 3.13 2.04 0.32 -3.19 117.51 120.12 1puz h ILE 49 Ca 0.19 -1.27 0.40 0.00 1.00 0.00 0.00 64.86 65.18 1puz h ILE 49 Cb -0.04 1.49 -0.12 0.00 -0.74 0.00 0.00 36.82 37.42 1puz h ILE 49 CO -0.04 0.24 0.82 -0.07 0.00 0.00 0.00 178.15 179.10 1puz h LEU 50 N -0.90 0.28 -0.81 1.44 3.38 0.21 0.34 115.31 119.24 1puz h LEU 50 Ca -0.02 0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.41 1puz h LEU 50 Cb 0.53 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.23 1puz h LEU 50 CO 0.03 -0.12 0.45 -0.62 0.09 0.00 0.00 178.44 178.26 1puz n GLU 51 N -4.66 -0.05 -1.97 1.13 1.02 -0.14 -4.32 120.64 111.66 1puz n GLU 51 Ca 0.35 1.10 -0.38 0.00 -0.02 0.00 0.00 57.16 58.20 1puz n GLU 51 Cb 1.32 -1.98 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1puz n GLU 51 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1puz s PHE 52 N -5.20 2.56 1.07 -0.32 0.08 0.12 -5.01 117.98 111.27 1puz s PHE 52 Ca -0.07 1.43 -0.16 0.00 0.12 0.00 0.00 56.93 58.25 1puz s PHE 52 Cb 0.27 -3.65 0.22 0.00 -0.57 0.00 0.00 43.02 39.29 1puz s PHE 52 CO 0.63 -2.34 1.13 1.14 -0.10 0.00 0.00 175.22 175.68 1puz s GLN 53 N -2.73 -0.14 0.01 0.44 0.00 -1.26 -4.79 119.66 111.19 1puz s GLN 53 Ca 0.66 0.12 -0.23 0.00 -0.00 0.00 0.00 55.36 55.92 1puz s GLN 53 Cb -0.36 -1.71 -0.17 0.00 0.00 0.00 0.00 33.01 30.77 1puz s GLN 53 CO 0.44 -3.02 1.28 -0.44 0.00 0.00 0.00 175.29 173.55 1puz h ASP 54 N -2.09 0.24 0.01 12.60 3.45 -1.92 0.42 116.42 129.13 1puz h ASP 54 Ca -0.49 -0.51 0.02 0.00 0.43 0.00 0.00 57.03 56.48 1puz h ASP 54 Cb 1.31 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 39.96 1puz h ASP 54 CO 0.47 0.71 -0.51 -0.61 -1.57 0.00 0.00 179.24 177.72 1puz h GLN 55 N -0.22 -0.63 0.07 3.56 4.15 -1.98 0.23 115.11 120.29 1puz h GLN 55 Ca 0.01 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1puz h GLN 55 Cb 0.65 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 1puz h GLN 55 CO 0.03 -0.42 -0.05 0.93 -1.93 0.00 0.00 178.83 177.39 1puz h GLU 56 N -0.65 -0.12 -0.53 1.69 4.39 -1.95 -2.26 114.58 115.15 1puz h GLU 56 Ca 0.01 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1puz h GLU 56 Cb 0.69 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.29 1puz h GLU 56 CO -0.33 -0.08 -0.48 1.25 -1.16 0.00 0.00 179.01 178.21 1puz h LEU 57 N -0.12 -1.66 -0.44 1.33 5.85 -0.45 0.93 115.31 120.75 1puz h LEU 57 Ca -0.00 0.23 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1puz h LEU 57 Cb 0.11 0.70 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 1puz h LEU 57 CO 0.00 -0.28 -0.56 0.25 -0.34 0.00 0.00 178.44 177.51 1puz h LEU 58 N -0.20 -1.87 -0.70 2.25 5.85 -0.41 0.35 115.31 120.58 1puz h LEU 58 Ca 0.09 0.25 0.15 0.00 0.84 0.00 0.00 57.88 59.21 1puz h LEU 58 Cb 0.44 0.77 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 1puz h LEU 58 CO -0.61 -0.40 0.09 0.00 -0.34 0.00 0.00 178.44 177.18 1puz h ALA 59 N -0.00 0.81 -0.17 1.25 0.00 -0.49 0.12 119.26 120.78 1puz h ALA 59 Ca 0.08 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1puz h ALA 59 Cb 0.59 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1puz h ALA 59 CO -0.61 -0.38 -0.19 -0.07 0.00 0.00 0.00 179.25 178.00 1puz h LEU 60 N 0.18 -0.60 -0.25 0.00 3.38 0.43 1.83 115.31 120.29 1puz h LEU 60 Ca 0.39 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.51 1puz h LEU 60 Cb 0.66 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1puz h LEU 60 CO -0.55 -0.24 -0.50 0.40 0.09 0.00 0.00 178.44 177.65 1puz h ILE 61 N -0.22 0.05 -0.64 1.22 1.08 0.21 0.42 117.51 119.63 1puz h ILE 61 Ca 0.11 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 1puz h ILE 61 Cb 0.39 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1puz h ILE 61 CO -0.30 0.00 0.43 0.78 -0.69 0.00 0.00 178.15 178.37 1puz h ASN 62 N -0.48 0.43 0.00 1.72 2.35 -0.63 -3.45 115.58 115.53 1puz h ASN 62 Ca 0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1puz h ASN 62 Cb 0.64 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1puz h ASN 62 CO -0.49 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.16 1puz n GLY 63 N -1.50 1.91 0.00 2.83 0.00 0.18 -5.09 105.19 103.52 1puz n GLY 63 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.32 0.00 -0.61 1.61 8.25 0.57 -4.92 115.22 119.79 1puz n HIS 64 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 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 -0.31 -1.82 -4.44 0.41 7.64 -1.25 -4.84 113.62 109.01 1puz n SER 65 Ca 0.00 -0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.59 1puz n SER 65 Cb 0.00 -1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 61.94 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 1.88 -0.11 1.43 8.01 -1.26 -4.46 118.70 120.22 1puz s GLU 66 Ca 0.62 -2.11 0.00 0.00 0.01 0.00 0.00 54.97 53.50 1puz s GLU 66 Cb -0.20 -1.04 0.02 0.00 -4.31 0.00 0.00 34.13 28.61 1puz s GLU 66 CO 0.65 -0.28 -0.10 -0.08 0.01 0.00 0.00 175.26 175.47 1puz s THR 67 N -3.10 1.14 -0.37 3.63 -1.32 -1.26 -5.00 115.64 109.35 1puz s THR 67 Ca 0.27 -0.39 -0.01 0.00 -1.21 0.00 0.00 61.69 60.36 1puz s THR 67 Cb 0.06 -1.11 0.29 0.00 -1.51 0.00 0.00 72.50 70.23 1puz s THR 67 CO 0.13 0.38 1.93 -0.67 -2.21 0.00 0.00 174.62 174.19 1puz n ASP 68 N 4.64 6.12 -3.70 8.08 -0.08 -1.26 -4.77 116.55 125.59 1puz n ASP 68 Ca -0.16 -3.16 -0.22 0.00 -1.51 0.00 0.00 54.79 49.74 1puz n ASP 68 Cb 0.50 -0.98 -0.18 0.00 2.34 0.00 0.00 41.12 42.81 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 -2.18 0.22 0.16 -0.67 1.02 -1.26 -4.99 119.74 112.04 1puz s LYS 69 Ca 0.37 0.17 0.22 0.00 0.02 0.00 0.00 55.97 56.74 1puz s LYS 69 Cb 0.29 -0.96 0.87 0.00 -0.52 0.00 0.00 37.83 37.52 1puz s LYS 69 CO 0.01 -0.39 1.66 0.41 -0.92 0.00 0.00 175.35 176.12 1puz n GLY 70 N 5.23 -1.26 0.12 -3.33 0.00 -1.26 -1.14 105.19 103.55 1puz n GLY 70 Ca -0.05 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.01 1.61 3.86 -1.98 -3.33 115.15 115.32 1puz h HIS 71 Ca 0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 1puz h HIS 71 Cb 0.38 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 1puz h HIS 71 CO 0.00 0.00 -2.32 1.28 0.86 0.00 0.00 177.93 177.75 1puz n LEU 72 N -2.59 1.54 -0.33 2.43 4.77 -0.76 -3.77 117.00 118.30 1puz n LEU 72 Ca 0.02 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 1puz n LEU 72 Cb 0.51 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1puz n LEU 72 CO 0.37 0.70 0.61 -0.38 -1.33 0.00 0.00 177.39 177.36 1puz n ILE 73 N -3.05 -0.39 0.08 -0.08 5.41 -0.29 0.24 119.36 121.28 1puz n ILE 73 Ca -0.37 2.11 -0.06 0.00 1.00 0.00 0.00 62.75 65.43 1puz n ILE 73 Cb 1.07 -2.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.04 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 -0.29 -0.52 0.38 0.13 -1.76 -3.04 132.00 126.90 1puz h PRO 74 Ca 0.45 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.75 1puz h PRO 74 Cb 0.69 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1puz h PRO 74 CO -0.95 -0.09 0.67 0.52 -0.23 0.00 0.00 178.00 177.92 1puz h MET 75 N -1.05 0.00 -0.01 0.86 2.86 -1.31 1.33 114.93 117.62 1puz h MET 75 Ca -0.03 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 1puz h MET 75 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1puz h MET 75 CO 0.05 0.00 -0.93 -0.07 1.06 0.00 0.00 176.91 177.02 1puz h LEU 76 N 0.00 0.56 0.17 1.22 3.38 0.31 -1.21 115.31 119.74 1puz h LEU 76 Ca 0.25 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1puz h LEU 76 Cb 1.59 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1puz h LEU 76 CO -0.00 1.24 -0.08 -0.33 0.09 0.00 0.00 178.44 179.35 1puz h GLU 77 N 0.25 -0.22 0.33 1.13 4.39 0.19 1.53 114.58 122.19 1puz h GLU 77 Ca -0.08 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1puz h GLU 77 Cb 1.56 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 1puz h GLU 77 CO 0.16 -0.09 -0.16 1.57 -1.16 0.00 0.00 179.01 179.34 1puz h LYS 78 N -0.30 -0.43 0.57 2.33 2.10 -1.51 0.08 116.57 119.41 1puz h LYS 78 Ca -0.02 0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1puz h LYS 78 Cb 0.23 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.65 1puz h LYS 78 CO 0.04 -0.17 -0.43 0.82 -2.00 0.00 0.00 179.45 177.71 1puz h ILE 79 N -0.65 0.00 -1.20 0.07 2.04 -1.18 -1.32 117.51 115.27 1puz h ILE 79 Ca -0.05 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.16 1puz h ILE 79 Cb 0.46 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1puz h ILE 79 CO 0.08 0.00 0.83 -0.09 0.00 0.00 0.00 178.15 178.97 1puz h ARG 80 N -0.96 0.11 -0.02 2.37 2.43 0.22 -0.72 114.38 117.81 1puz h ARG 80 Ca -0.07 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1puz h ARG 80 Cb 0.80 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1puz h ARG 80 CO 0.02 0.07 -0.45 -0.09 -1.51 0.00 0.00 179.97 178.02 1puz h ARG 81 N 0.11 -0.53 0.00 0.20 2.43 0.24 -3.50 114.38 113.33 1puz h ARG 81 Ca 0.61 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1puz h ARG 81 Cb 2.17 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.84 1puz h ARG 81 CO -0.12 -0.35 0.00 0.00 -1.51 0.00 0.00 179.97 177.99