#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza n SER 2 N 0.00 0.00 0.09 1.61 2.88 -1.07 -5.02 113.62 112.10 1zza n SER 2 Ca 0.00 -0.67 -0.19 0.00 -1.33 0.00 0.00 58.87 56.68 1zza n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1zza n SER 2 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1zza h MET 3 N 0.00 0.52 0.00 -1.46 2.86 -2.03 -3.45 114.93 111.37 1zza h MET 3 Ca 0.00 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 1zza h MET 3 Cb 0.00 0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1zza h MET 3 CO 0.00 1.30 0.00 -1.13 1.06 0.00 0.00 176.91 178.14 1zza n SER 4 N -3.73 0.00 -0.22 1.22 3.41 -1.26 -5.12 113.62 107.92 1zza n SER 4 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1zza n SER 4 Cb 0.97 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zza n ILE 5 N -1.56 0.00 -3.49 -1.33 -5.35 -1.26 -4.88 119.36 101.49 1zza n ILE 5 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 1zza n ILE 5 Cb 0.00 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1zza n MET 6 N 0.00 -1.39 -0.16 6.28 2.81 -1.26 -3.50 117.12 119.89 1zza n MET 6 Ca 0.00 0.86 0.11 0.00 -1.81 0.00 0.00 57.70 56.87 1zza n MET 6 Cb 0.00 -4.32 0.44 0.00 -0.71 0.00 0.00 33.22 28.64 1zza n MET 6 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1zza h ASP 7 N -0.77 0.49 -3.92 7.83 3.04 -1.96 1.08 116.42 122.21 1zza h ASP 7 Ca -0.46 0.02 -0.35 0.00 -3.24 0.00 0.00 57.03 53.00 1zza h ASP 7 Cb 1.26 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 1zza h ASP 7 CO 0.40 0.29 -0.48 1.57 -2.04 0.00 0.00 179.24 178.98 1zza n HIS 8 N -4.49 -1.45 0.04 4.15 -0.00 -1.26 0.15 115.22 112.36 1zza n HIS 8 Ca 0.12 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.47 1zza n HIS 8 Cb 0.39 -3.54 0.00 0.00 -0.12 0.00 0.00 29.99 26.72 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1zza n SER 9 N -2.09 -0.60 -0.02 0.26 2.88 -1.26 -4.76 113.62 108.04 1zza n SER 9 Ca -0.15 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1zza n SER 9 Cb 0.63 0.86 -0.07 0.00 -0.75 0.00 0.00 64.21 64.88 1zza n SER 9 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1zza h PRO 10 N 0.00 0.15 0.07 -1.46 0.13 -1.98 0.13 132.00 129.04 1zza h PRO 10 Ca 0.00 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1zza h PRO 10 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1zza h PRO 10 CO 0.00 0.36 -0.03 1.15 -0.23 0.00 0.00 178.00 179.25 1zza h THR 11 N -0.07 1.08 -0.72 1.56 2.02 -1.93 0.41 112.91 115.25 1zza h THR 11 Ca 0.03 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1zza h THR 11 Cb 0.28 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 1zza h THR 11 CO 0.00 0.13 0.46 0.71 0.37 0.00 0.00 175.52 177.19 1zza h THR 12 N -0.32 1.19 0.15 3.16 1.35 -1.89 0.20 112.91 116.75 1zza h THR 12 Ca -0.01 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1zza h THR 12 Cb 0.28 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1zza h THR 12 CO 0.02 0.19 -0.07 1.23 -0.25 0.00 0.00 175.52 176.64 1zza h GLY 13 N 1.00 -0.21 0.61 5.82 0.00 -0.52 0.13 103.07 109.90 1zza h GLY 13 Ca 0.26 0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.76 1zza h GLY 13 CO -0.05 -0.08 0.63 -2.08 0.00 0.00 0.00 176.54 174.96 1zza h VAL 14 N -0.65 1.00 -0.31 4.60 2.07 0.13 0.63 116.25 123.72 1zza h VAL 14 Ca -0.02 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1zza h VAL 14 Cb 0.49 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1zza h VAL 14 CO 0.03 0.19 -0.13 0.58 0.02 0.00 0.00 177.57 178.26 1zza h VAL 15 N 1.07 1.29 0.02 2.57 2.07 -0.54 -0.14 116.25 122.59 1zza h VAL 15 Ca 0.46 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1zza h VAL 15 Cb 0.32 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1zza h VAL 15 CO -0.22 0.39 -0.07 0.74 0.02 0.00 0.00 177.57 178.44 1zza h THR 16 N 0.40 0.84 -0.21 2.57 2.02 0.38 0.27 112.91 119.18 1zza h THR 16 Ca 0.07 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 1zza h THR 16 Cb 0.65 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1zza h THR 16 CO 0.04 0.00 -0.24 -0.37 0.37 0.00 0.00 175.52 175.32 1zza h VAL 17 N -0.13 1.25 -0.36 3.16 -1.51 -0.90 -0.38 116.25 117.38 1zza h VAL 17 Ca 0.02 -1.20 -0.13 0.00 -1.23 0.00 0.00 66.70 64.16 1zza h VAL 17 Cb 0.15 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1zza h VAL 17 CO -0.05 0.38 -0.28 0.40 -1.23 0.00 0.00 177.57 176.78 1zza h ILE 18 N 0.35 1.28 -0.41 7.19 1.08 -0.48 0.38 117.51 126.89 1zza h ILE 18 Ca 0.05 -1.44 -0.04 0.00 -0.39 0.00 0.00 64.86 63.04 1zza h ILE 18 Cb 0.62 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1zza h ILE 18 CO 0.04 0.48 0.09 0.58 -0.69 0.00 0.00 178.15 178.65 1zza h VAL 19 N 0.63 1.24 -0.25 1.67 2.07 -0.24 0.49 116.25 121.85 1zza h VAL 19 Ca 0.07 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1zza h VAL 19 Cb 0.86 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1zza h VAL 19 CO 0.07 0.29 0.11 0.40 0.02 0.00 0.00 177.57 178.46 1zza h ILE 20 N 0.53 1.16 -0.12 4.57 1.08 -0.91 0.26 117.51 124.08 1zza h ILE 20 Ca 0.13 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1zza h ILE 20 Cb 0.34 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1zza h ILE 20 CO 0.00 0.17 0.08 -0.07 -0.69 0.00 0.00 178.15 177.64 1zza h LEU 21 N 0.26 0.14 -0.65 1.44 3.38 -0.02 0.31 115.31 120.17 1zza h LEU 21 Ca 0.09 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1zza h LEU 21 Cb 0.16 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1zza h LEU 21 CO -0.01 0.10 0.38 0.40 0.09 0.00 0.00 178.44 179.40 1zza h ILE 22 N 0.16 1.01 -0.39 1.22 1.08 0.24 0.21 117.51 121.05 1zza h ILE 22 Ca 0.04 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.24 1zza h ILE 22 Cb -0.02 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 33.95 1zza h ILE 22 CO -0.01 0.13 0.15 0.00 -0.69 0.00 0.00 178.15 177.73 1zza h ALA 23 N 1.32 0.51 -0.45 1.87 0.00 0.09 0.29 119.26 122.89 1zza h ALA 23 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1zza h ALA 23 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1zza h ALA 23 CO -0.15 0.13 0.28 0.82 0.00 0.00 0.00 179.25 180.32 1zza h ILE 24 N 0.49 1.13 -0.35 0.00 2.04 0.33 0.36 117.51 121.51 1zza h ILE 24 Ca 0.13 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1zza h ILE 24 Cb 0.21 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1zza h ILE 24 CO -0.01 0.13 0.13 0.00 0.00 0.00 0.00 178.15 178.40 1zza h ALA 25 N 1.14 0.45 -0.59 1.87 0.00 -0.32 0.24 119.26 122.06 1zza h ALA 25 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1zza h ALA 25 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1zza h ALA 25 CO -0.03 0.07 0.37 0.00 0.00 0.00 0.00 179.25 179.65 1zza h ALA 26 N 0.97 0.75 0.21 0.00 0.00 -0.05 0.26 119.26 121.40 1zza h ALA 26 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 26 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1zza h ALA 26 CO -0.01 0.22 -0.10 1.25 0.00 0.00 0.00 179.25 180.62 1zza h LEU 27 N 0.80 -0.24 -0.66 0.00 7.12 0.07 0.44 115.31 122.84 1zza h LEU 27 Ca 0.21 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.32 1zza h LEU 27 Cb -0.04 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.09 1zza h LEU 27 CO -0.04 -0.17 0.31 1.23 -0.13 0.00 0.00 178.44 179.64 1zza h GLY 28 N -0.28 0.96 0.97 3.75 0.00 -0.10 0.15 103.07 108.52 1zza h GLY 28 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1zza h GLY 28 CO 0.05 0.05 0.18 0.00 0.00 0.00 0.00 176.54 176.82 1zza h ALA 29 N 1.40 0.66 -0.93 3.60 0.00 0.03 0.24 119.26 124.25 1zza h ALA 29 Ca 0.32 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1zza h ALA 29 Cb 0.33 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1zza h ALA 29 CO -0.26 0.29 0.62 -0.07 0.00 0.00 0.00 179.25 179.82 1zza h LEU 30 N 0.68 1.06 -0.14 0.00 3.38 0.10 0.22 115.31 120.61 1zza h LEU 30 Ca 0.17 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1zza h LEU 30 Cb 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1zza h LEU 30 CO -0.01 0.76 -0.29 0.40 0.09 0.00 0.00 178.44 179.39 1zza h ILE 31 N 1.25 1.36 -0.18 1.22 2.04 -0.35 -0.78 117.51 122.07 1zza h ILE 31 Ca 0.35 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.66 1zza h ILE 31 Cb -0.12 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1zza h ILE 31 CO -0.08 0.46 0.10 0.25 0.00 0.00 0.00 178.15 178.88 1zza h LEU 32 N 0.06 0.15 0.54 1.44 5.85 -0.14 0.98 115.31 124.19 1zza h LEU 32 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1zza h LEU 32 Cb 0.89 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.90 1zza h LEU 32 CO 0.07 0.12 -0.26 1.23 -0.34 0.00 0.00 178.44 179.25 1zza h GLY 33 N 0.21 -0.75 0.13 3.75 0.00 -0.60 0.33 103.07 106.13 1zza h GLY 33 Ca 0.07 0.28 0.10 0.00 0.00 0.00 0.00 47.33 47.78 1zza h GLY 33 CO -0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 176.54 176.17 1zza h TRP 35 N 0.06 0.09 -0.47 0.00 7.01 -0.64 0.17 115.95 122.17 1zza h TRP 35 Ca 0.24 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.28 1zza h TRP 35 Cb 0.37 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1zza h TRP 35 CO -0.35 0.21 0.32 0.00 -2.79 0.00 0.00 178.44 175.82 1zza h TYR 37 N 0.46 0.75 0.11 0.00 -1.99 -0.06 -3.38 116.97 112.85 1zza h TYR 37 Ca 0.20 -0.52 -0.25 0.00 2.00 0.00 0.00 58.73 60.16 1zza h TYR 37 Cb 0.22 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.90 1zza h TYR 37 CO -0.00 1.39 -1.27 1.25 -0.00 0.00 0.00 178.16 179.53 1zza h LEU 38 N -0.09 0.35 0.00 3.88 5.85 -0.28 -3.47 115.31 121.54 1zza h LEU 38 Ca -0.17 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.70 1zza h LEU 38 Cb 1.79 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1zza h LEU 38 CO 0.20 1.56 0.00 -1.14 -0.34 0.00 0.00 178.44 178.71 1zza n ARG 39 N -4.01 0.00 -1.55 1.25 3.00 0.50 -4.70 116.66 111.16 1zza n ARG 39 Ca -0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.19 1zza n ARG 39 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.30 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1zza n LEU 40 N 0.00 5.81 0.07 6.15 4.77 -1.26 -4.69 117.00 127.85 1zza n LEU 40 Ca 0.00 -3.69 0.08 0.00 -0.03 0.00 0.00 56.01 52.38 1zza n LEU 40 Cb 0.00 -1.47 0.37 0.00 -2.33 0.00 0.00 43.42 39.99 1zza n LEU 40 CO 0.00 0.54 0.76 0.00 -1.33 0.00 0.00 177.39 177.36 1zza n GLN 41 N 6.49 0.09 0.23 3.23 10.64 -1.26 -0.15 117.38 136.64 1zza n GLN 41 Ca 0.51 0.38 -0.10 0.00 -1.83 0.00 0.00 57.00 55.97 1zza n GLN 41 Cb 0.40 -1.69 -0.05 0.00 -0.86 0.00 0.00 30.24 28.04 1zza n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1zza h ARG 42 N 0.00 -0.61 0.05 2.61 9.65 -1.99 -3.32 114.38 120.77 1zza h ARG 42 Ca 0.00 0.04 -0.25 0.00 -1.10 0.00 0.00 59.98 58.67 1zza h ARG 42 Cb 0.24 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1zza h ARG 42 CO 0.00 -0.41 -1.19 -0.84 2.80 0.00 0.00 179.97 180.34 1zza h ILE 43 N -1.01 1.52 -5.55 1.20 3.07 -1.97 -3.48 117.51 111.30 1zza h ILE 43 Ca -0.06 -3.19 -0.37 0.00 1.55 0.00 0.00 64.86 62.78 1zza h ILE 43 Cb 0.48 2.84 0.13 0.00 -0.27 0.00 0.00 36.82 40.01 1zza h ILE 43 CO 0.11 0.90 -0.65 -0.24 -1.05 0.00 0.00 178.15 177.22 1zza n SER 44 N -3.40 -5.79 0.00 2.16 2.88 0.78 -4.22 113.62 106.04 1zza n SER 44 Ca -0.06 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1zza n SER 44 Cb 0.99 -4.77 0.00 0.00 -0.75 0.00 0.00 64.21 59.67 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza n GLN 45 N -4.68 0.00 -3.37 -1.46 6.02 -1.26 -4.76 117.38 107.88 1zza n GLN 45 Ca -0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 1zza n GLN 45 Cb 0.57 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.81 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1zza n SER 46 N 1.47 -2.79 -4.88 1.08 7.64 -1.26 -4.92 113.62 109.96 1zza n SER 46 Ca 0.00 -0.35 -0.30 0.00 1.01 0.00 0.00 58.87 59.23 1zza n SER 46 Cb 0.00 -2.37 0.06 0.00 -1.01 0.00 0.00 64.21 60.89 1zza n SER 46 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1zza s GLU 47 N -6.00 2.68 -1.10 1.43 2.02 -1.26 -4.95 118.70 111.51 1zza s GLU 47 Ca 0.38 0.41 -0.20 0.00 0.02 0.00 0.00 54.97 55.58 1zza s GLU 47 Cb -0.21 -2.00 0.07 0.00 0.10 0.00 0.00 34.13 32.09 1zza s GLU 47 CO 0.47 -1.15 1.49 0.34 0.02 0.00 0.00 175.26 176.43 1zza s ASP 48 N -4.38 6.66 0.55 -0.19 -1.08 -1.26 -4.99 116.67 111.98 1zza s ASP 48 Ca 0.59 -1.93 0.01 0.00 -0.52 0.00 0.00 52.55 50.70 1zza s ASP 48 Cb -0.11 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.84 1zza s ASP 48 CO 0.51 -1.30 0.78 -1.83 0.52 0.00 0.00 175.17 173.85 1zza s GLU 49 N 4.22 2.58 -0.05 4.34 4.04 -1.26 -5.05 118.70 127.52 1zza s GLU 49 Ca 0.46 -0.71 -0.02 0.00 0.04 0.00 0.00 54.97 54.74 1zza s GLU 49 Cb 0.00 -2.48 -0.01 0.00 0.02 0.00 0.00 34.13 31.67 1zza s GLU 49 CO -0.04 -0.70 0.14 1.49 -1.84 0.00 0.00 175.26 174.32 1zza h GLU 50 N 0.06 -0.08 0.00 -4.83 4.81 -1.96 -3.49 114.58 109.09 1zza h GLU 50 Ca -0.43 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1zza h GLU 50 Cb 1.29 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1zza h GLU 50 CO 0.53 -0.05 0.00 0.43 -0.73 0.00 0.00 179.01 179.19 1zza n SER 51 N -3.61 0.00 0.00 1.04 7.64 -1.26 -4.99 113.62 112.44 1zza n SER 51 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1zza n SER 51 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1zza n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zza n ILE 52 N -1.22 0.00 -0.07 0.44 0.00 -1.26 -4.75 119.36 112.49 1zza n ILE 52 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 62.75 62.81 1zza n ILE 52 Cb 0.00 -0.72 0.41 0.00 0.00 0.00 0.00 39.64 39.33 1zza n ILE 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1zza h VAL 53 N 0.00 1.05 -0.54 9.51 -1.51 -1.99 -1.55 116.25 121.23 1zza h VAL 53 Ca 0.00 -0.21 -0.31 0.00 -1.23 0.00 0.00 66.70 64.95 1zza h VAL 53 Cb 0.73 0.39 -0.16 0.00 -2.13 0.00 0.00 31.29 30.12 1zza h VAL 53 CO 0.00 0.11 0.40 0.61 -1.23 0.00 0.00 177.57 177.46 1zza n GLY 54 N -1.47 3.72 3.83 5.19 0.00 -1.26 -4.95 105.19 110.24 1zza n GLY 54 Ca 0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1zza n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zza s ASP 55 N -0.17 4.70 0.00 1.61 2.15 -0.59 -4.74 116.67 119.64 1zza s ASP 55 Ca 0.32 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.55 1zza s ASP 55 Cb 0.26 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 1zza s ASP 55 CO 0.03 -1.83 0.00 0.61 -0.17 0.00 0.00 175.17 173.81 1zza n GLY 56 N -2.35 1.99 1.05 2.66 0.00 -1.26 -4.92 105.19 102.37 1zza n GLY 56 Ca 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1zza n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zza n GLU 57 N 0.00 1.34 -1.28 1.61 -0.58 -1.26 -4.93 120.64 115.55 1zza n GLU 57 Ca 0.00 -3.04 -0.37 0.00 -0.42 0.00 0.00 57.16 53.33 1zza n GLU 57 Cb 0.00 -1.24 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1zza n THR 58 N -0.63 3.71 -4.10 2.62 -1.04 -1.26 -4.91 114.28 108.67 1zza n THR 58 Ca 0.17 -2.41 -0.29 0.00 -2.04 0.00 0.00 64.05 59.48 1zza n THR 58 Cb 0.84 -2.52 -0.07 0.00 -1.82 0.00 0.00 70.33 66.76 1zza n THR 58 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1zza s LYS 59 N 2.72 2.69 -0.34 -2.82 0.00 -1.26 -5.08 119.74 115.66 1zza s LYS 59 Ca 0.60 -0.82 -0.24 0.00 0.00 0.00 0.00 55.97 55.50 1zza s LYS 59 Cb 0.16 -2.60 0.01 0.00 0.00 0.00 0.00 37.83 35.40 1zza s LYS 59 CO -0.05 0.53 0.84 -2.00 0.00 0.00 0.00 175.35 174.67 1zza s GLU 60 N -2.52 3.87 -0.02 1.78 -6.30 -1.26 -4.92 118.70 109.34 1zza s GLU 60 Ca 0.28 0.53 0.00 0.00 -2.50 0.00 0.00 54.97 53.28 1zza s GLU 60 Cb -0.11 -3.77 0.02 0.00 0.00 0.00 0.00 34.13 30.27 1zza s GLU 60 CO 0.20 -0.81 1.18 -0.35 0.02 0.00 0.00 175.26 175.49 1zza n PRO 61 N 6.46 1.05 0.00 4.30 -0.04 -1.26 -4.82 135.00 140.68 1zza n PRO 61 Ca 0.05 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1zza n PRO 61 Cb 0.48 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1zza n PRO 61 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1zza n PHE 62 N 0.59 0.00 -0.33 0.54 7.35 -1.26 -4.73 117.46 119.61 1zza n PHE 62 Ca 0.02 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.74 1zza n PHE 62 Cb 0.54 0.00 0.18 0.00 0.35 0.00 0.00 39.48 40.55 1zza n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1zza h LEU 63 N 0.00 0.87 -0.22 -2.13 3.38 -1.98 0.40 115.31 115.64 1zza h LEU 63 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1zza h LEU 63 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1zza h LEU 63 CO 0.00 0.52 0.11 0.25 0.09 0.00 0.00 178.44 179.41 1zza h LEU 64 N 0.99 0.29 -0.69 1.67 5.85 -1.95 0.09 115.31 121.56 1zza h LEU 64 Ca 0.43 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.89 1zza h LEU 64 Cb 0.30 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1zza h LEU 64 CO -0.21 0.33 -0.49 0.58 -0.34 0.00 0.00 178.44 178.30 1zza h VAL 65 N 0.22 1.33 0.16 1.05 2.07 -1.83 0.11 116.25 119.37 1zza h VAL 65 Ca 0.07 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1zza h VAL 65 Cb 0.12 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1zza h VAL 65 CO -0.01 0.53 -0.12 -0.61 0.02 0.00 0.00 177.57 177.37 1zza h GLN 66 N 0.32 -0.28 -0.42 1.57 5.75 0.17 0.63 115.11 122.85 1zza h GLN 66 Ca 0.01 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 1zza h GLN 66 Cb 0.99 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 1zza h GLN 66 CO 0.09 -0.19 0.01 1.88 -2.65 0.00 0.00 178.83 177.97 1zza h TYR 67 N -0.29 0.80 -0.96 3.99 0.05 -0.91 0.43 116.97 120.07 1zza h TYR 67 Ca -0.01 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 58.68 1zza h TYR 67 Cb 0.26 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.74 1zza h TYR 67 CO -0.11 0.79 0.63 0.77 -1.05 0.00 0.00 178.16 179.19 1zza h SER 68 N 0.57 1.04 0.11 3.88 0.02 -0.41 0.85 113.55 119.61 1zza h SER 68 Ca 0.12 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.84 1zza h SER 68 Cb 0.47 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1zza h SER 68 CO 0.02 0.70 -1.09 0.00 -1.14 0.00 0.00 176.83 175.32 1zza h ALA 69 N 1.40 0.07 -0.39 3.77 0.00 0.47 -3.37 119.26 121.22 1zza h ALA 69 Ca 0.39 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1zza h ALA 69 Cb 0.03 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1zza h ALA 69 CO -0.13 0.60 0.21 0.87 0.00 0.00 0.00 179.25 180.80 1zza h LYS 70 N -0.42 0.54 -0.35 0.00 1.79 -0.05 -1.04 116.57 117.03 1zza h LYS 70 Ca -0.23 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.21 1zza h LYS 70 Cb 1.64 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 32.13 1zza h LYS 70 CO 0.07 0.44 -0.29 0.78 -1.08 0.00 0.00 179.45 179.37 1zza h GLY 71 N 0.50 -1.62 1.21 3.86 0.00 -0.99 1.63 103.07 107.66 1zza h GLY 71 Ca 0.14 0.88 -0.08 0.00 0.00 0.00 0.00 47.33 48.26 1zza h GLY 71 CO -0.02 -0.46 0.03 -0.56 0.00 0.00 0.00 176.54 175.53 1zza h PRO 72 N -0.11 0.96 -0.32 4.80 0.13 -1.71 0.33 132.00 136.09 1zza h PRO 72 Ca 0.06 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1zza h PRO 72 Cb 0.26 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1zza h PRO 72 CO -0.39 0.93 0.16 0.00 -0.23 0.00 0.00 178.00 178.47 1zza h VAL 74 N 0.38 1.30 -0.72 0.00 2.07 0.25 -0.37 116.25 119.17 1zza h VAL 74 Ca 0.11 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1zza h VAL 74 Cb 0.10 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1zza h VAL 74 CO -0.02 0.36 0.42 -0.08 0.02 0.00 0.00 177.57 178.27 1zza h GLU 75 N 0.17 0.74 -0.12 1.57 4.22 -0.11 0.28 114.58 121.34 1zza h GLU 75 Ca 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1zza h GLU 75 Cb 0.60 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1zza h GLU 75 CO 0.03 0.49 0.02 0.00 -2.18 0.00 0.00 179.01 177.38 1zza h ARG 76 N 0.77 0.19 -0.71 1.92 -0.00 0.02 -0.17 114.38 116.39 1zza h ARG 76 Ca 0.32 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.75 1zza h ARG 76 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.09 1zza h ARG 76 CO -0.18 0.38 0.44 0.87 0.00 0.00 0.00 179.97 181.49 1zza h LYS 77 N -0.03 0.96 -0.61 0.04 1.79 -0.47 0.43 116.57 118.68 1zza h LYS 77 Ca 0.04 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1zza h LYS 77 Cb 0.28 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 1zza h LYS 77 CO 0.00 0.66 0.19 0.00 -1.08 0.00 0.00 179.45 179.23 1zza h ALA 78 N 1.24 0.79 -0.12 3.86 0.00 -0.32 -0.31 119.26 124.39 1zza h ALA 78 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1zza h ALA 78 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1zza h ALA 78 CO -0.05 0.46 -0.05 0.87 0.00 0.00 0.00 179.25 180.48 1zza h LYS 79 N 0.86 0.25 -0.96 0.00 1.57 -0.52 0.42 116.57 118.19 1zza h LYS 79 Ca 0.20 -0.10 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1zza h LYS 79 Cb 0.29 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1zza h LYS 79 CO -0.01 0.57 0.61 1.25 -0.57 0.00 0.00 179.45 181.31 1zza h LEU 80 N -0.09 0.90 0.15 2.94 5.85 -0.01 -0.13 115.31 124.93 1zza h LEU 80 Ca 0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1zza h LEU 80 Cb 0.50 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1zza h LEU 80 CO 0.02 0.53 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.55 1zza h MET 81 N 1.00 -0.19 -2.92 1.25 4.05 -0.87 -3.42 114.93 113.82 1zza h MET 81 Ca 0.44 0.01 -0.61 0.00 -0.28 0.00 0.00 59.70 59.27 1zza h MET 81 Cb 0.37 0.04 -0.40 0.00 -0.80 0.00 0.00 31.60 30.81 1zza h MET 81 CO -0.20 -0.12 -0.74 0.95 0.23 0.00 0.00 176.91 177.03 1zza s THR 82 N -2.19 1.57 0.33 -0.77 -4.23 0.14 -4.95 115.64 105.54 1zza s THR 82 Ca -0.03 -2.94 0.13 0.00 -1.18 0.00 0.00 61.69 57.67 1zza s THR 82 Cb 0.00 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.84 1zza s THR 82 CO 0.09 -0.97 1.77 1.55 -0.54 0.00 0.00 174.62 176.52 1zza h PRO 83 N 6.28 0.00 0.00 3.99 0.13 -1.15 -3.39 132.00 137.86 1zza h PRO 83 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1zza h PRO 83 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1zza h PRO 83 CO 0.52 0.43 0.00 -1.71 -0.23 0.00 0.00 178.00 177.00 1zza n ASN 84 N -3.97 0.00 0.00 1.44 5.15 -1.26 -4.73 115.26 111.89 1zza n ASN 84 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1zza n ASN 84 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zza n GLY 85 N 0.00 1.18 0.00 8.20 0.00 -1.26 -4.98 105.19 108.33 1zza n GLY 85 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1zza n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zza n PRO 86 N 0.00 1.81 0.00 1.61 -0.04 -1.26 -3.02 135.00 134.10 1zza n PRO 86 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1zza n PRO 86 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1zza n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1zza n GLU 87 N 0.00 0.00 -0.06 0.54 4.71 -1.26 -3.28 120.64 121.29 1zza n GLU 87 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1zza n GLU 87 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.28 1zza n GLU 87 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1zza n VAL 88 N 0.00 1.52 -3.97 2.62 0.31 -1.26 -5.00 118.33 112.55 1zza n VAL 88 Ca 0.00 -0.80 -0.28 0.00 -0.01 0.00 0.00 64.34 63.25 1zza n VAL 88 Cb 0.00 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.07 1zza n VAL 88 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1zza n HIS 89 N -2.95 -1.79 0.00 3.52 8.25 -1.17 -5.14 115.22 115.94 1zza n HIS 89 Ca -0.26 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1zza n HIS 89 Cb 1.10 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 28.51 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39