#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 -3.87 -4.99 1.61 7.64 -1.26 -5.00 113.62 107.76 1zza n SER 2 Ca 0.00 -0.65 -0.19 0.00 1.01 0.00 0.00 58.87 59.03 1zza n SER 2 Cb 0.00 -4.70 0.01 0.00 -1.01 0.00 0.00 64.21 58.51 1zza n SER 2 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1zza s MET 3 N -6.01 2.93 0.09 1.43 1.00 -1.26 -5.02 119.30 112.46 1zza s MET 3 Ca 0.32 -0.97 0.06 0.00 0.00 0.00 0.00 55.69 55.09 1zza s MET 3 Cb -0.15 -2.71 -0.22 0.00 0.00 0.00 0.00 34.83 31.75 1zza s MET 3 CO 0.76 -0.21 1.17 0.66 0.00 0.00 0.00 175.02 177.40 1zza h SER 4 N 0.61 0.07 -1.02 3.03 4.64 -1.99 -3.45 113.55 115.44 1zza h SER 4 Ca -0.43 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1zza h SER 4 Cb 1.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1zza h SER 4 CO 0.51 1.06 0.00 2.30 -0.87 0.00 0.00 176.83 179.83 1zza n ILE 5 N -3.34 0.00 -1.61 0.95 -6.64 -1.26 -4.96 119.36 102.50 1zza n ILE 5 Ca -0.04 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.51 1zza n ILE 5 Cb 0.97 -0.76 -0.03 0.00 -1.44 0.00 0.00 39.64 38.37 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1zza n MET 6 N 0.00 2.10 0.30 6.28 2.81 -1.26 -4.82 117.12 122.53 1zza n MET 6 Ca 0.00 0.62 0.19 0.00 -1.81 0.00 0.00 57.70 56.70 1zza n MET 6 Cb 0.00 -3.19 0.93 0.00 -0.71 0.00 0.00 33.22 30.25 1zza n MET 6 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1zza h ASP 7 N 14.27 0.00 -0.34 7.83 3.58 -1.93 -2.32 116.42 137.51 1zza h ASP 7 Ca -0.42 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.91 1zza h ASP 7 Cb 1.24 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.22 1zza h ASP 7 CO 0.96 0.01 0.15 1.41 -2.88 0.00 0.00 179.24 178.89 1zza n HIS 8 N -3.13 1.10 -3.97 0.28 8.25 -1.26 -3.53 115.22 112.96 1zza n HIS 8 Ca -0.01 -0.73 -0.31 0.00 -0.26 0.00 0.00 57.72 56.41 1zza n HIS 8 Cb 0.20 -0.42 -0.15 0.00 1.12 0.00 0.00 29.99 30.73 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1zza s SER 9 N -0.12 4.39 0.06 0.41 0.15 -0.88 -4.99 113.70 112.73 1zza s SER 9 Ca 0.23 -1.72 -0.20 0.00 0.70 0.00 0.00 55.95 54.96 1zza s SER 9 Cb 0.19 -1.40 -0.12 0.00 -1.71 0.00 0.00 66.02 62.98 1zza s SER 9 CO 0.05 -0.32 1.45 1.55 1.20 0.00 0.00 173.24 177.18 1zza h PRO 10 N 7.79 0.34 0.48 5.44 0.13 -1.88 0.16 132.00 144.46 1zza h PRO 10 Ca -0.11 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1zza h PRO 10 Cb 1.03 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1zza h PRO 10 CO 0.48 0.60 -0.23 1.79 -0.23 0.00 0.00 178.00 180.41 1zza h THR 11 N 0.05 0.00 -0.87 1.56 1.35 -1.98 -0.41 112.91 112.61 1zza h THR 11 Ca 0.04 -0.37 0.14 0.00 -0.55 0.00 0.00 66.41 65.68 1zza h THR 11 Cb 0.48 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.83 1zza h THR 11 CO 0.02 0.00 0.57 0.74 -0.25 0.00 0.00 175.52 176.59 1zza h THR 12 N -1.01 0.83 0.65 6.82 2.02 -1.95 0.27 112.91 120.55 1zza h THR 12 Ca -0.07 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1zza h THR 12 Cb 0.49 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1zza h THR 12 CO 0.11 0.12 -0.31 1.23 0.37 0.00 0.00 175.52 177.03 1zza h GLY 13 N 0.67 -0.92 0.45 2.16 0.00 -0.67 0.26 103.07 105.03 1zza h GLY 13 Ca 0.44 0.34 0.12 0.00 0.00 0.00 0.00 47.33 48.22 1zza h GLY 13 CO -0.19 -0.33 0.58 -2.08 0.00 0.00 0.00 176.54 174.51 1zza h VAL 14 N -1.18 0.90 -0.33 4.60 2.07 -0.57 0.21 116.25 121.94 1zza h VAL 14 Ca -0.09 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1zza h VAL 14 Cb 0.70 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1zza h VAL 14 CO 0.15 0.17 0.15 0.58 0.02 0.00 0.00 177.57 178.63 1zza h VAL 15 N 0.91 1.17 -0.45 2.57 2.07 -0.38 0.14 116.25 122.28 1zza h VAL 15 Ca 0.47 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1zza h VAL 15 Cb 0.48 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1zza h VAL 15 CO -0.27 0.18 0.19 0.74 0.02 0.00 0.00 177.57 178.43 1zza h THR 16 N 0.40 0.90 -0.63 2.57 2.02 0.11 0.16 112.91 118.44 1zza h THR 16 Ca 0.11 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1zza h THR 16 Cb 0.15 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1zza h THR 16 CO -0.01 0.07 0.10 0.58 0.37 0.00 0.00 175.52 176.62 1zza h VAL 17 N 0.38 1.26 -0.94 3.16 2.07 -0.71 0.19 116.25 121.66 1zza h VAL 17 Ca 0.20 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1zza h VAL 17 Cb 0.16 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1zza h VAL 17 CO -0.18 0.38 0.56 0.40 0.02 0.00 0.00 177.57 178.75 1zza h ILE 18 N 0.96 1.26 -0.29 4.57 1.08 0.23 0.91 117.51 126.22 1zza h ILE 18 Ca 0.19 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1zza h ILE 18 Cb 0.44 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1zza h ILE 18 CO 0.01 0.27 0.03 0.58 -0.69 0.00 0.00 178.15 178.36 1zza h VAL 19 N 1.29 1.24 -0.04 1.67 2.07 -0.31 0.46 116.25 122.63 1zza h VAL 19 Ca 0.33 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1zza h VAL 19 Cb -0.04 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1zza h VAL 19 CO -0.06 0.27 0.03 0.40 0.02 0.00 0.00 177.57 178.23 1zza h ILE 20 N 0.30 1.06 -0.23 4.57 2.04 -0.19 0.26 117.51 125.32 1zza h ILE 20 Ca 0.09 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1zza h ILE 20 Cb 0.37 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1zza h ILE 20 CO 0.01 0.05 0.06 -0.07 0.00 0.00 0.00 178.15 178.20 1zza h LEU 21 N -0.00 0.05 -0.66 1.44 3.38 0.97 0.37 115.31 120.85 1zza h LEU 21 Ca 0.02 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1zza h LEU 21 Cb 0.06 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1zza h LEU 21 CO -0.00 0.06 0.37 0.40 0.09 0.00 0.00 178.44 179.36 1zza h ILE 22 N 0.16 0.98 -0.32 1.22 2.04 0.26 0.20 117.51 122.05 1zza h ILE 22 Ca 0.10 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1zza h ILE 22 Cb 0.09 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1zza h ILE 22 CO -0.12 0.13 0.12 0.00 0.00 0.00 0.00 178.15 178.28 1zza h ALA 23 N 1.34 0.42 -0.31 1.87 0.00 0.44 0.31 119.26 123.32 1zza h ALA 23 Ca 0.29 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1zza h ALA 23 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1zza h ALA 23 CO -0.17 0.02 0.17 0.82 0.00 0.00 0.00 179.25 180.09 1zza h ILE 24 N 0.37 1.03 -0.45 0.00 2.04 0.44 0.33 117.51 121.26 1zza h ILE 24 Ca 0.11 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1zza h ILE 24 Cb 0.19 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1zza h ILE 24 CO -0.01 0.07 0.23 0.00 0.00 0.00 0.00 178.15 178.44 1zza h ALA 25 N 1.14 0.57 -0.50 1.87 0.00 -0.38 0.27 119.26 122.23 1zza h ALA 25 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1zza h ALA 25 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1zza h ALA 25 CO -0.06 0.12 0.30 0.00 0.00 0.00 0.00 179.25 179.61 1zza h ALA 26 N 1.08 0.64 -0.35 0.00 0.00 0.09 0.26 119.26 120.98 1zza h ALA 26 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1zza h ALA 26 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1zza h ALA 26 CO -0.02 0.13 0.16 1.25 0.00 0.00 0.00 179.25 180.77 1zza h LEU 27 N 0.67 0.46 -0.64 0.00 6.46 0.03 0.42 115.31 122.71 1zza h LEU 27 Ca 0.18 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1zza h LEU 27 Cb -0.00 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 1zza h LEU 27 CO -0.03 0.46 0.39 1.23 -0.62 0.00 0.00 178.44 179.87 1zza h GLY 28 N 0.42 0.92 0.89 3.75 0.00 0.01 0.22 103.07 109.28 1zza h GLY 28 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1zza h GLY 28 CO -0.01 0.24 0.03 0.00 0.00 0.00 0.00 176.54 176.79 1zza h ALA 29 N 1.28 0.42 -0.88 3.60 0.00 -0.01 0.19 119.26 123.87 1zza h ALA 29 Ca 0.26 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 29 Cb 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1zza h ALA 29 CO -0.11 0.15 0.56 -0.07 0.00 0.00 0.00 179.25 179.78 1zza h LEU 30 N 0.35 0.93 -0.08 0.00 3.38 0.42 0.30 115.31 120.61 1zza h LEU 30 Ca 0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1zza h LEU 30 Cb 0.39 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1zza h LEU 30 CO 0.01 0.63 -0.06 0.40 0.09 0.00 0.00 178.44 179.51 1zza h ILE 31 N 1.09 1.35 -0.13 1.22 2.04 -0.31 -0.57 117.51 122.20 1zza h ILE 31 Ca 0.35 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1zza h ILE 31 Cb 0.02 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1zza h ILE 31 CO -0.12 0.33 -0.01 0.25 0.00 0.00 0.00 178.15 178.59 1zza h LEU 32 N -0.22 -0.08 -0.26 1.44 6.46 -0.19 0.87 115.31 123.32 1zza h LEU 32 Ca 0.01 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1zza h LEU 32 Cb 0.56 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1zza h LEU 32 CO 0.02 -0.02 0.12 1.23 -0.62 0.00 0.00 178.44 179.16 1zza h GLY 33 N 0.02 0.41 1.49 3.75 0.00 -0.44 0.32 103.07 108.63 1zza h GLY 33 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1zza h GLY 33 CO -0.11 0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.70 1zza h TRP 35 N 0.62 0.00 -7.00 0.00 4.06 -0.59 -3.48 115.95 109.56 1zza h TRP 35 Ca 0.14 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.49 1zza h TRP 35 Cb 0.28 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 28.20 1zza h TRP 35 CO 0.01 0.14 -0.92 0.00 -3.56 0.00 0.00 178.44 174.10 1zza n TYR 37 N -4.38 0.00 0.06 0.00 4.01 -1.26 -3.74 117.16 111.85 1zza n TYR 37 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1zza n TYR 37 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1zza n TYR 37 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1zza n LEU 38 N -0.59 0.45 -2.19 7.72 7.94 -1.26 -4.45 117.00 124.62 1zza n LEU 38 Ca 0.00 0.20 -0.02 0.00 -1.11 0.00 0.00 56.01 55.08 1zza n LEU 38 Cb 0.00 -0.03 -0.02 0.00 0.53 0.00 0.00 43.42 43.90 1zza n LEU 38 CO 0.00 -0.61 -0.36 -1.14 -1.11 0.00 0.00 177.39 174.16 1zza n ARG 39 N -3.31 -2.52 -1.59 1.96 0.00 -1.26 -4.03 116.66 105.91 1zza n ARG 39 Ca 0.00 2.13 -0.14 0.00 -0.00 0.00 0.00 57.85 59.84 1zza n ARG 39 Cb 0.09 -3.54 -0.09 0.00 0.00 0.00 0.00 32.46 28.92 1zza n ARG 39 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1zza s LEU 40 N -0.64 2.59 0.37 6.15 0.20 -1.26 -4.71 118.68 121.39 1zza s LEU 40 Ca -0.11 -0.49 0.19 0.00 0.69 0.00 0.00 54.13 54.42 1zza s LEU 40 Cb 0.01 -2.58 0.53 0.00 -0.43 0.00 0.00 46.19 43.72 1zza s LEU 40 CO 0.48 -4.36 1.66 0.06 -0.29 0.00 0.00 176.35 173.90 1zza h GLN 41 N 12.11 0.00 0.00 1.98 -0.00 -2.02 -3.48 115.11 123.71 1zza h GLN 41 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1zza h GLN 41 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 1zza h GLN 41 CO 1.01 0.35 0.00 -2.13 -0.00 0.00 0.00 178.83 178.06 1zza n ARG 42 N -3.35 0.00 0.26 0.06 3.00 -1.26 -4.99 116.66 110.38 1zza n ARG 42 Ca 0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 58.00 1zza n ARG 42 Cb 0.56 0.00 0.68 0.00 0.00 0.00 0.00 32.46 33.70 1zza n ARG 42 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1zza h ILE 43 N 0.00 0.39 -5.03 5.15 -0.00 -2.00 -3.48 117.51 112.54 1zza h ILE 43 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 64.86 64.20 1zza h ILE 43 Cb 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 36.82 38.30 1zza h ILE 43 CO 0.00 0.11 -0.43 -0.24 -0.00 0.00 0.00 178.15 177.60 1zza n SER 44 N -3.40 -7.31 -2.04 2.19 2.88 -1.26 -4.91 113.62 99.78 1zza n SER 44 Ca -0.01 0.46 -0.22 0.00 -1.33 0.00 0.00 58.87 57.77 1zza n SER 44 Cb 0.30 -4.92 0.13 0.00 -0.75 0.00 0.00 64.21 58.97 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 -0.38 2.10 -3.28 -1.46 1.13 -1.26 -4.86 117.38 109.37 1zza n GLN 45 Ca 0.10 -2.51 -0.15 0.00 -1.94 0.00 0.00 57.00 52.50 1zza n GLN 45 Cb 0.41 -1.98 0.08 0.00 0.11 0.00 0.00 30.24 28.86 1zza n GLN 45 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1zza n SER 46 N -0.77 -2.14 -4.94 1.08 2.88 -1.26 -4.96 113.62 103.50 1zza n SER 46 Ca 0.50 -0.56 -0.20 0.00 -1.33 0.00 0.00 58.87 57.28 1zza n SER 46 Cb 1.29 -4.68 -0.01 0.00 -0.75 0.00 0.00 64.21 60.07 1zza n SER 46 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1zza s GLU 47 N -5.20 2.59 -0.39 -1.46 1.03 -1.26 -4.61 118.70 109.39 1zza s GLU 47 Ca 0.01 -1.49 -0.29 0.00 0.03 0.00 0.00 54.97 53.23 1zza s GLU 47 Cb -0.00 -2.50 0.02 0.00 -0.80 0.00 0.00 34.13 30.84 1zza s GLU 47 CO 0.66 -0.31 1.21 -0.51 -1.33 0.00 0.00 175.26 174.98 1zza s ASP 48 N -4.26 6.65 0.29 0.83 1.01 -1.26 -4.99 116.67 114.94 1zza s ASP 48 Ca 0.51 0.82 -0.03 0.00 0.71 0.00 0.00 52.55 54.55 1zza s ASP 48 Cb -0.05 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1zza s ASP 48 CO 0.30 -1.17 0.38 -0.70 0.21 0.00 0.00 175.17 174.19 1zza s GLU 49 N 4.31 1.66 -0.26 8.23 -6.30 -1.26 -5.05 118.70 120.03 1zza s GLU 49 Ca 0.52 -1.66 -0.03 0.00 -2.50 0.00 0.00 54.97 51.29 1zza s GLU 49 Cb -0.11 0.40 0.01 0.00 0.00 0.00 0.00 34.13 34.42 1zza s GLU 49 CO 0.26 -0.66 0.06 -1.91 0.02 0.00 0.00 175.26 173.04 1zza n GLU 50 N -0.47 -3.54 0.00 4.30 4.07 -1.26 -4.53 120.64 119.21 1zza n GLU 50 Ca 0.02 2.81 0.00 0.00 -0.06 0.00 0.00 57.16 59.92 1zza n GLU 50 Cb 0.63 -5.00 0.00 0.00 -0.06 0.00 0.00 31.44 27.01 1zza n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1zza n SER 51 N 0.90 0.00 -0.33 4.31 3.41 -1.26 -3.66 113.62 116.99 1zza n SER 51 Ca -0.11 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1zza n SER 51 Cb 0.17 -0.19 0.29 0.00 -0.26 0.00 0.00 64.21 64.22 1zza n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1zza h ILE 52 N 0.00 0.87 0.00 -1.33 3.07 -1.96 -2.65 117.51 115.50 1zza h ILE 52 Ca 0.00 -0.30 -0.24 0.00 1.55 0.00 0.00 64.86 65.87 1zza h ILE 52 Cb 0.00 -0.09 -0.04 0.00 -0.27 0.00 0.00 36.82 36.42 1zza h ILE 52 CO 0.00 0.16 -1.86 0.55 -1.05 0.00 0.00 178.15 175.95 1zza n VAL 53 N -4.62 1.20 -1.85 0.16 3.14 -1.26 -4.49 118.33 110.60 1zza n VAL 53 Ca 0.19 -0.74 -0.34 0.00 -2.96 0.00 0.00 64.34 60.49 1zza n VAL 53 Cb 0.42 -0.62 -0.05 0.00 -1.06 0.00 0.00 33.84 32.53 1zza n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1zza n GLY 54 N 1.53 1.66 5.00 7.55 0.00 -1.00 -4.53 105.19 115.40 1zza n GLY 54 Ca -0.18 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1zza n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zza n ASP 55 N 11.76 0.00 0.00 1.61 -0.08 -1.25 -4.40 116.55 124.20 1zza n ASP 55 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1zza n ASP 55 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zza n GLY 56 N 0.00 3.33 0.00 0.27 0.00 -1.24 -4.71 105.19 102.84 1zza n GLY 56 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1zza n GLY 56 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1zza n GLU 57 N 0.00 2.97 -0.95 1.61 0.28 -1.26 -4.95 120.64 118.33 1zza n GLU 57 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1zza n GLU 57 Cb 0.00 -0.68 0.00 0.00 1.43 0.00 0.00 31.44 32.19 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1zza n THR 58 N -0.97 -4.87 -1.36 3.84 -1.04 -1.26 -4.95 114.28 103.66 1zza n THR 58 Ca 0.00 1.25 -0.31 0.00 -2.04 0.00 0.00 64.05 62.95 1zza n THR 58 Cb 0.00 -2.74 0.09 0.00 -1.82 0.00 0.00 70.33 65.86 1zza n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1zza s LYS 59 N -2.63 2.31 0.16 -2.82 3.01 -1.26 -4.59 119.74 113.93 1zza s LYS 59 Ca 0.00 1.02 -0.22 0.00 -1.01 0.00 0.00 55.97 55.76 1zza s LYS 59 Cb 0.00 -1.91 0.06 0.00 -1.01 0.00 0.00 37.83 34.97 1zza s LYS 59 CO 0.00 -1.56 1.60 1.49 0.51 0.00 0.00 175.35 177.39 1zza h GLU 60 N -1.06 -0.23 0.00 1.68 4.81 -1.99 0.66 114.58 118.45 1zza h GLU 60 Ca -0.45 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1zza h GLU 60 Cb 1.23 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1zza h GLU 60 CO 0.54 -0.16 -0.15 -1.00 -0.73 0.00 0.00 179.01 177.51 1zza h PRO 61 N -0.24 0.00 0.18 0.92 0.13 -2.00 -1.98 132.00 129.01 1zza h PRO 61 Ca 0.17 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.00 1zza h PRO 61 Cb 0.52 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.67 1zza h PRO 61 CO -0.52 0.15 -1.44 0.74 -0.23 0.00 0.00 178.00 176.70 1zza h PHE 62 N 0.00 0.70 -0.03 1.56 0.04 -1.22 -3.26 116.94 114.73 1zza h PHE 62 Ca -0.00 -0.51 -0.07 0.00 2.80 0.00 0.00 57.97 60.18 1zza h PHE 62 Cb 0.39 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1zza h PHE 62 CO 0.00 1.56 -0.33 1.37 -0.60 0.00 0.00 178.31 180.31 1zza h LEU 63 N -0.06 0.06 0.33 1.54 8.10 0.36 -0.52 115.31 125.12 1zza h LEU 63 Ca -0.28 -0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.68 1zza h LEU 63 Cb 1.96 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 42.17 1zza h LEU 63 CO 0.17 0.39 -0.16 0.25 -4.11 0.00 0.00 178.44 174.99 1zza h LEU 64 N 0.06 -0.38 -0.65 0.17 6.46 -1.45 0.26 115.31 119.78 1zza h LEU 64 Ca 0.01 -0.04 -0.15 0.00 -0.12 0.00 0.00 57.88 57.58 1zza h LEU 64 Cb 0.61 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1zza h LEU 64 CO 0.04 -0.20 -0.64 -0.37 -0.62 0.00 0.00 178.44 176.65 1zza h VAL 65 N -0.53 1.43 -0.35 1.05 -1.51 -1.58 -0.51 116.25 114.25 1zza h VAL 65 Ca -0.05 -2.12 -0.04 0.00 -1.23 0.00 0.00 66.70 63.26 1zza h VAL 65 Cb 0.40 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1zza h VAL 65 CO 0.08 0.62 0.05 -0.61 -1.23 0.00 0.00 177.57 176.47 1zza h GLN 66 N 0.10 0.58 -0.37 5.19 4.15 -0.92 0.99 115.11 124.83 1zza h GLN 66 Ca -0.01 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 1zza h GLN 66 Cb 1.15 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1zza h GLN 66 CO 0.09 0.66 -0.23 1.88 -1.93 0.00 0.00 178.83 179.30 1zza h TYR 67 N 0.41 0.95 -0.78 3.99 -1.99 -0.42 0.24 116.97 119.36 1zza h TYR 67 Ca 0.11 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1zza h TYR 67 Cb 0.36 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.84 1zza h TYR 67 CO 0.02 1.02 0.50 0.77 -0.00 0.00 0.00 178.16 180.47 1zza h SER 68 N 0.61 0.91 0.17 3.88 0.02 -0.88 0.25 113.55 118.51 1zza h SER 68 Ca 0.08 -0.04 -0.31 0.00 -0.84 0.00 0.00 61.79 60.68 1zza h SER 68 Cb 0.80 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1zza h SER 68 CO 0.07 0.68 -1.54 0.00 -1.14 0.00 0.00 176.83 174.89 1zza h ALA 69 N 1.48 0.11 -0.33 3.77 0.00 -0.64 -3.36 119.26 120.29 1zza h ALA 69 Ca 0.28 -1.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 1zza h ALA 69 Cb -0.09 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1zza h ALA 69 CO -0.06 0.87 -0.12 1.57 0.00 0.00 0.00 179.25 181.51 1zza h LYS 70 N -0.06 0.56 -0.08 0.00 2.10 -0.41 -0.98 116.57 117.69 1zza h LYS 70 Ca -0.31 -0.17 0.02 0.00 -2.00 0.00 0.00 60.65 58.20 1zza h LYS 70 Cb 1.96 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 33.18 1zza h LYS 70 CO 0.15 0.67 -0.47 0.78 -2.00 0.00 0.00 179.45 178.58 1zza h GLY 71 N 0.94 -1.16 1.14 0.07 0.00 -1.09 2.44 103.07 105.42 1zza h GLY 71 Ca 0.09 0.68 -0.11 0.00 0.00 0.00 0.00 47.33 47.99 1zza h GLY 71 CO 0.03 -0.26 -0.10 -0.56 0.00 0.00 0.00 176.54 175.66 1zza h PRO 72 N -0.53 1.01 -0.13 4.80 0.13 -1.72 -0.71 132.00 134.84 1zza h PRO 72 Ca 0.02 -0.36 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1zza h PRO 72 Cb 0.60 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1zza h PRO 72 CO -0.36 1.04 0.07 0.00 -0.23 0.00 0.00 178.00 178.52 1zza h VAL 74 N 0.09 0.90 -1.00 0.00 2.07 0.43 0.25 116.25 118.98 1zza h VAL 74 Ca 0.05 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1zza h VAL 74 Cb 0.11 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1zza h VAL 74 CO -0.01 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 178.16 1zza h GLU 75 N 0.01 1.16 0.40 1.57 4.57 -0.86 0.51 114.58 121.94 1zza h GLU 75 Ca 0.05 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1zza h GLU 75 Cb 0.07 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1zza h GLU 75 CO -0.10 0.77 -0.19 -0.09 -1.18 0.00 0.00 179.01 178.21 1zza h ARG 76 N 1.19 -0.52 -0.10 1.92 2.43 0.13 0.16 114.38 119.58 1zza h ARG 76 Ca 0.43 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.50 1zza h ARG 76 Cb 0.14 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1zza h ARG 76 CO -0.17 -0.25 -0.51 1.57 -1.51 0.00 0.00 179.97 179.10 1zza h LYS 77 N -0.73 0.29 -0.11 0.20 2.10 -0.33 -0.08 116.57 117.91 1zza h LYS 77 Ca -0.06 -0.17 -0.03 0.00 -2.00 0.00 0.00 60.65 58.40 1zza h LYS 77 Cb 0.51 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1zza h LYS 77 CO 0.09 0.73 -0.04 0.00 -2.00 0.00 0.00 179.45 178.23 1zza h ALA 78 N 1.24 0.15 -0.30 0.07 0.00 0.05 -0.38 119.26 120.09 1zza h ALA 78 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1zza h ALA 78 Cb 0.98 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1zza h ALA 78 CO 0.08 -0.08 -0.06 0.87 0.00 0.00 0.00 179.25 180.06 1zza h LYS 79 N -0.12 0.57 -0.39 0.00 1.79 -0.65 0.84 116.57 118.61 1zza h LYS 79 Ca 0.03 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 1zza h LYS 79 Cb 0.49 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1zza h LYS 79 CO 0.01 0.76 0.15 1.25 -1.08 0.00 0.00 179.45 180.54 1zza h LEU 80 N 0.34 0.50 0.00 2.94 5.85 -1.00 -3.34 115.31 120.61 1zza h LEU 80 Ca 0.08 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1zza h LEU 80 Cb 0.54 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1zza h LEU 80 CO 0.03 0.47 -0.71 0.80 -0.34 0.00 0.00 178.44 178.69 1zza n MET 81 N -4.37 0.45 -3.15 1.25 1.56 -0.16 -5.03 117.12 107.67 1zza n MET 81 Ca 0.03 0.34 0.06 0.00 -0.27 0.00 0.00 57.70 57.85 1zza n MET 81 Cb 0.15 -1.48 -0.01 0.00 2.15 0.00 0.00 33.22 34.03 1zza n MET 81 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1zza s THR 82 N -2.47 -0.12 -1.39 1.12 -1.32 0.27 -5.01 115.64 106.74 1zza s THR 82 Ca -0.20 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.42 1zza s THR 82 Cb 0.03 -0.51 0.23 0.00 -1.51 0.00 0.00 72.50 70.74 1zza s THR 82 CO 0.30 0.00 1.38 -0.81 -2.21 0.00 0.00 174.62 173.29 1zza n PRO 83 N 5.25 0.18 -2.03 7.08 -0.04 -0.19 -4.71 135.00 140.54 1zza n PRO 83 Ca 0.02 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.49 1zza n PRO 83 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1zza n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1zza n ASN 84 N -1.31 -4.23 0.00 3.54 5.03 -0.87 -4.90 115.26 112.52 1zza n ASN 84 Ca 0.06 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.74 1zza n ASN 84 Cb 0.12 -3.69 0.00 0.00 -1.02 0.00 0.00 39.78 35.19 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zza n GLY 85 N -0.63 6.57 0.25 7.41 0.00 -1.22 -4.78 105.19 112.79 1zza n GLY 85 Ca -0.16 -1.74 0.15 0.00 0.00 0.00 0.00 46.02 44.26 1zza n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zza h PRO 86 N 0.00 0.00 -0.42 1.61 0.13 -1.91 -1.05 132.00 130.37 1zza h PRO 86 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1zza h PRO 86 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1zza h PRO 86 CO 0.00 0.02 -0.16 0.93 -0.23 0.00 0.00 178.00 178.56 1zza h GLU 87 N 0.00 -0.07 -0.07 0.86 3.07 -1.95 -2.80 114.58 113.62 1zza h GLU 87 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1zza h GLU 87 Cb 0.72 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1zza h GLU 87 CO 0.00 -0.05 0.00 1.55 -1.40 0.00 0.00 179.01 179.12 1zza n VAL 88 N -5.36 0.21 -3.64 3.13 3.14 -1.24 -5.00 118.33 109.57 1zza n VAL 88 Ca 0.03 -0.60 -0.22 0.00 -2.96 0.00 0.00 64.34 60.58 1zza n VAL 88 Cb 0.27 1.05 0.05 0.00 -1.06 0.00 0.00 33.84 34.15 1zza n VAL 88 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1zza n HIS 89 N 0.48 -2.17 0.00 1.45 8.25 -0.41 -5.02 115.22 117.79 1zza n HIS 89 Ca 0.06 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 1zza n HIS 89 Cb 0.26 -4.62 0.00 0.00 1.12 0.00 0.00 29.99 26.76 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39