#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza h SER 2 N 0.00 0.71 -5.58 1.61 4.64 -2.10 -3.42 113.55 109.41 1zza h SER 2 Ca 0.00 0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.78 1zza h SER 2 Cb 0.00 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 61.93 1zza h SER 2 CO 0.00 0.40 -0.32 1.15 -0.87 0.00 0.00 176.83 177.19 1zza n MET 3 N -4.73 0.72 0.00 4.77 3.85 -1.26 -5.03 117.12 115.44 1zza n MET 3 Ca 0.14 -3.45 0.00 0.00 -1.00 0.00 0.00 57.70 53.39 1zza n MET 3 Cb 0.29 0.53 0.00 0.00 -1.05 0.00 0.00 33.22 32.99 1zza n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1zza n SER 4 N -1.69 0.00 0.00 3.17 2.88 -1.26 -5.10 113.62 111.62 1zza n SER 4 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1zza n SER 4 Cb 0.62 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1zza n ILE 5 N -0.93 0.00 -0.56 2.46 -6.64 -1.26 -4.94 119.36 107.48 1zza n ILE 5 Ca 0.00 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 60.95 1zza n ILE 5 Cb 0.00 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 38.16 1zza n ILE 5 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58 1zza n MET 6 N 0.00 1.13 -0.32 6.28 0.00 -1.26 -4.43 117.12 118.52 1zza n MET 6 Ca 0.00 -0.22 0.15 0.00 -0.00 0.00 0.00 57.70 57.63 1zza n MET 6 Cb 0.00 -1.26 0.38 0.00 0.00 0.00 0.00 33.22 32.34 1zza n MET 6 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1zza h ASP 7 N 1.74 0.68 -0.05 6.12 3.32 -1.98 0.30 116.42 126.55 1zza h ASP 7 Ca 0.04 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1zza h ASP 7 Cb 1.02 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1zza h ASP 7 CO 0.06 0.25 0.02 -0.74 -1.72 0.00 0.00 179.24 177.11 1zza h HIS 8 N 0.67 0.07 -2.04 4.55 2.76 -2.03 -3.37 115.15 115.76 1zza h HIS 8 Ca 0.54 -0.01 -0.53 0.00 -2.20 0.00 0.00 60.37 58.17 1zza h HIS 8 Cb 0.97 -0.02 -0.40 0.00 1.55 0.00 0.00 27.41 29.51 1zza h HIS 8 CO -0.00 0.21 -1.06 0.45 -1.30 0.00 0.00 177.93 176.23 1zza n SER 9 N -4.97 1.12 -4.53 3.26 2.88 -0.50 -4.82 113.62 106.06 1zza n SER 9 Ca -0.07 -2.97 -0.29 0.00 -1.33 0.00 0.00 58.87 54.22 1zza n SER 9 Cb 0.11 -0.63 0.18 0.00 -0.75 0.00 0.00 64.21 63.12 1zza n SER 9 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1zza s PRO 10 N -1.98 0.33 0.26 -1.46 0.04 0.93 -4.38 135.00 128.74 1zza s PRO 10 Ca 0.39 0.27 -0.02 0.00 0.04 0.00 0.00 61.00 61.67 1zza s PRO 10 Cb 0.25 -1.75 0.53 0.00 0.04 0.00 0.00 34.50 33.58 1zza s PRO 10 CO -0.09 -2.75 1.70 1.79 0.04 0.00 0.00 177.00 177.70 1zza h THR 11 N -1.90 0.55 -0.65 1.26 1.35 -1.99 0.31 112.91 111.85 1zza h THR 11 Ca -0.51 -0.13 -0.07 0.00 -0.55 0.00 0.00 66.41 65.15 1zza h THR 11 Cb 1.32 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 1zza h THR 11 CO 0.54 0.07 0.11 0.71 -0.25 0.00 0.00 175.52 176.70 1zza h THR 12 N 0.37 1.26 0.75 6.82 1.35 -1.97 -0.43 112.91 121.05 1zza h THR 12 Ca 0.46 -1.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 1zza h THR 12 Cb 0.78 0.63 0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1zza h THR 12 CO -0.48 0.38 -0.36 1.23 -0.25 0.00 0.00 175.52 176.04 1zza h GLY 13 N 1.05 -1.05 1.09 5.82 0.00 -0.82 0.29 103.07 109.45 1zza h GLY 13 Ca 0.20 0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.97 1zza h GLY 13 CO 0.01 -0.38 0.48 -0.39 0.00 0.00 0.00 176.54 176.26 1zza h VAL 14 N -1.24 1.06 -0.39 4.60 -1.51 -0.87 -0.71 116.25 117.19 1zza h VAL 14 Ca -0.10 -0.28 -0.12 0.00 -1.23 0.00 0.00 66.70 64.97 1zza h VAL 14 Cb 0.77 0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 1zza h VAL 14 CO 0.17 0.15 -0.24 0.58 -1.23 0.00 0.00 177.57 177.00 1zza h VAL 15 N 0.81 1.28 0.22 7.19 2.07 -0.99 0.11 116.25 126.94 1zza h VAL 15 Ca 0.31 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1zza h VAL 15 Cb 0.18 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1zza h VAL 15 CO -0.10 0.46 -0.11 0.74 0.02 0.00 0.00 177.57 178.59 1zza h THR 16 N 0.66 0.78 -0.31 2.57 2.02 0.65 0.30 112.91 119.58 1zza h THR 16 Ca 0.08 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1zza h THR 16 Cb 0.80 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1zza h THR 16 CO 0.07 0.00 -0.11 -0.37 0.37 0.00 0.00 175.52 175.48 1zza h VAL 17 N -0.30 1.23 -0.39 3.16 -1.51 -1.15 -0.18 116.25 117.10 1zza h VAL 17 Ca -0.03 -1.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.32 1zza h VAL 17 Cb 0.23 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1zza h VAL 17 CO 0.05 0.33 -0.23 0.40 -1.23 0.00 0.00 177.57 176.88 1zza h ILE 18 N 0.48 1.28 -0.57 7.19 2.04 -0.55 0.35 117.51 127.72 1zza h ILE 18 Ca 0.09 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 1zza h ILE 18 Cb 0.48 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1zza h ILE 18 CO 0.03 0.46 0.15 0.58 0.00 0.00 0.00 178.15 179.37 1zza h VAL 19 N 0.66 1.25 -0.08 1.67 2.07 -0.09 0.57 116.25 122.29 1zza h VAL 19 Ca 0.08 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1zza h VAL 19 Cb 0.80 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1zza h VAL 19 CO 0.07 0.32 0.02 0.40 0.02 0.00 0.00 177.57 178.40 1zza h ILE 20 N 0.81 1.18 -0.62 4.57 2.04 -0.81 0.23 117.51 124.92 1zza h ILE 20 Ca 0.18 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1zza h ILE 20 Cb 0.33 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1zza h ILE 20 CO -0.00 0.16 0.35 0.17 0.00 0.00 0.00 178.15 178.83 1zza h LEU 21 N -0.08 0.77 -0.50 1.44 8.10 -0.11 0.32 115.31 125.25 1zza h LEU 21 Ca 0.02 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.93 1zza h LEU 21 Cb 0.23 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.23 1zza h LEU 21 CO -0.00 0.63 0.32 0.40 -4.11 0.00 0.00 178.44 175.68 1zza h ILE 22 N 0.85 1.14 -0.30 0.15 2.04 0.39 0.22 117.51 121.99 1zza h ILE 22 Ca 0.22 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1zza h ILE 22 Cb 0.02 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1zza h ILE 22 CO -0.04 0.14 0.10 0.00 0.00 0.00 0.00 178.15 178.35 1zza h ALA 23 N 1.17 0.39 -0.46 1.87 0.00 0.05 0.26 119.26 122.54 1zza h ALA 23 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1zza h ALA 23 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1zza h ALA 23 CO -0.04 0.03 0.29 0.82 0.00 0.00 0.00 179.25 180.35 1zza h ILE 24 N 0.33 1.08 -0.32 0.00 1.08 0.01 0.44 117.51 120.13 1zza h ILE 24 Ca 0.10 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1zza h ILE 24 Cb 0.24 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1zza h ILE 24 CO -0.00 0.11 0.11 0.00 -0.69 0.00 0.00 178.15 177.67 1zza h ALA 25 N 1.19 0.42 -0.78 1.87 0.00 -0.33 0.21 119.26 121.83 1zza h ALA 25 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zza h ALA 25 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1zza h ALA 25 CO -0.06 0.04 0.47 0.00 0.00 0.00 0.00 179.25 179.70 1zza h ALA 26 N 0.95 0.99 0.34 0.00 0.00 -0.05 0.29 119.26 121.78 1zza h ALA 26 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1zza h ALA 26 Cb 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1zza h ALA 26 CO -0.00 0.45 -0.17 1.25 0.00 0.00 0.00 179.25 180.78 1zza h LEU 27 N 1.06 -0.39 -0.71 0.00 7.12 0.26 0.43 115.31 123.07 1zza h LEU 27 Ca 0.28 -0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.36 1zza h LEU 27 Cb -0.05 0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.12 1zza h LEU 27 CO -0.05 -0.25 0.38 1.23 -0.13 0.00 0.00 178.44 179.61 1zza h GLY 28 N -0.50 1.07 0.96 3.75 0.00 -0.19 0.89 103.07 109.05 1zza h GLY 28 Ca -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1zza h GLY 28 CO 0.08 0.11 0.21 0.00 0.00 0.00 0.00 176.54 176.94 1zza h ALA 29 N 1.40 0.58 -0.90 3.60 0.00 0.02 0.20 119.26 124.17 1zza h ALA 29 Ca 0.34 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1zza h ALA 29 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1zza h ALA 29 CO -0.23 0.16 0.58 -0.07 0.00 0.00 0.00 179.25 179.69 1zza h LEU 30 N 0.58 0.98 -0.37 0.00 3.38 0.96 0.37 115.31 121.22 1zza h LEU 30 Ca 0.15 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1zza h LEU 30 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1zza h LEU 30 CO -0.02 0.69 -0.32 0.40 0.09 0.00 0.00 178.44 179.28 1zza h ILE 31 N 1.15 1.28 -0.44 1.22 2.04 -0.38 0.01 117.51 122.39 1zza h ILE 31 Ca 0.35 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 1zza h ILE 31 Cb -0.04 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1zza h ILE 31 CO -0.10 0.49 -0.01 -0.07 0.00 0.00 0.00 178.15 178.46 1zza h LEU 32 N 0.68 0.77 -0.36 1.44 4.07 0.06 0.48 115.31 122.44 1zza h LEU 32 Ca 0.07 -0.31 -0.18 0.00 0.08 0.00 0.00 57.88 57.54 1zza h LEU 32 Cb 0.90 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 1zza h LEU 32 CO 0.08 0.90 -0.54 1.23 -1.08 0.00 0.00 178.44 179.03 1zza h GLY 33 N 0.63 0.88 1.50 0.83 0.00 -0.24 0.66 103.07 107.34 1zza h GLY 33 Ca 0.12 -1.02 -0.27 0.00 0.00 0.00 0.00 47.33 46.17 1zza h GLY 33 CO 0.02 0.91 -1.34 0.00 0.00 0.00 0.00 176.54 176.14 1zza n TRP 35 N -3.38 0.00 0.00 0.00 8.01 0.17 -4.61 117.44 117.63 1zza n TRP 35 Ca -0.10 -0.58 0.00 0.00 -1.31 0.00 0.00 57.50 55.51 1zza n TRP 35 Cb 1.01 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 30.23 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1zza n TYR 37 N 0.00 0.00 0.02 0.00 4.01 -1.26 -4.54 117.16 115.38 1zza n TYR 37 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1zza n TYR 37 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1zza n TYR 37 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1zza n LEU 38 N -1.69 0.75 -1.97 7.72 4.77 -1.24 -4.55 117.00 120.80 1zza n LEU 38 Ca 0.00 0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1zza n LEU 38 Cb 0.00 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1zza n LEU 38 CO 0.00 -0.39 0.27 0.54 -1.33 0.00 0.00 177.39 176.48 1zza n ARG 39 N -3.38 0.74 -2.58 3.23 1.74 -1.25 -4.76 116.66 110.40 1zza n ARG 39 Ca -0.03 -1.88 -0.42 0.00 -0.77 0.00 0.00 57.85 54.75 1zza n ARG 39 Cb 0.26 -0.13 -0.02 0.00 -1.02 0.00 0.00 32.46 31.54 1zza n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1zza s LEU 40 N -1.90 3.65 -0.06 0.55 1.02 -0.21 -4.74 118.68 116.99 1zza s LEU 40 Ca 0.17 -1.79 0.20 0.00 0.02 0.00 0.00 54.13 52.73 1zza s LEU 40 Cb 0.28 -2.57 0.67 0.00 0.02 0.00 0.00 46.19 44.59 1zza s LEU 40 CO -0.08 -1.39 1.57 1.67 0.02 0.00 0.00 176.35 178.14 1zza n GLN 41 N 8.66 3.22 0.00 1.70 0.00 -1.26 -4.16 117.38 125.54 1zza n GLN 41 Ca 0.38 -2.75 0.00 0.00 -0.00 0.00 0.00 57.00 54.63 1zza n GLN 41 Cb 0.49 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 29.02 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1zza n ARG 42 N 1.32 0.00 -0.19 3.69 0.63 -1.26 -4.95 116.66 115.90 1zza n ARG 42 Ca 0.25 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.34 1zza n ARG 42 Cb 0.75 0.00 0.51 0.00 0.45 0.00 0.00 32.46 34.16 1zza n ARG 42 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1zza h ILE 43 N 0.00 0.76 -3.79 5.15 3.07 -2.01 -3.46 117.51 117.23 1zza h ILE 43 Ca 0.00 -0.14 -0.17 0.00 1.55 0.00 0.00 64.86 66.10 1zza h ILE 43 Cb 0.00 0.31 0.08 0.00 -0.27 0.00 0.00 36.82 36.95 1zza h ILE 43 CO 0.00 0.07 -0.38 -0.24 -1.05 0.00 0.00 178.15 176.55 1zza n SER 44 N -4.48 -2.26 0.00 2.16 2.88 -1.26 -4.94 113.62 105.72 1zza n SER 44 Ca 0.16 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1zza n SER 44 Cb 0.59 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 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 -2.59 0.44 -2.82 -1.46 1.13 -1.26 -4.84 117.38 105.97 1zza n GLN 45 Ca -0.13 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.82 1zza n GLN 45 Cb 0.58 -0.59 0.04 0.00 0.11 0.00 0.00 30.24 30.38 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1zza n SER 46 N -1.17 -0.02 -4.30 1.08 7.64 -1.26 0.26 113.62 115.85 1zza n SER 46 Ca 0.00 -2.89 -0.28 0.00 1.01 0.00 0.00 58.87 56.71 1zza n SER 46 Cb 0.09 0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.70 1.63 2.55 1.43 8.01 -1.11 -4.44 118.70 125.07 1zza s GLU 47 Ca 0.29 -1.03 0.00 0.00 0.01 0.00 0.00 54.97 54.24 1zza s GLU 47 Cb 0.39 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.44 1zza s GLU 47 CO -0.03 0.46 0.00 -3.47 0.01 0.00 0.00 175.26 172.22 1zza n ASP 48 N 1.84 0.00 0.00 -0.19 2.03 -1.26 -4.75 116.55 114.22 1zza n ASP 48 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1zza n ASP 48 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1zza n ASP 48 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zza n GLU 49 N 1.86 0.00 -0.47 -0.67 4.07 -1.26 -4.60 120.64 119.57 1zza n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1zza n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1zza n GLU 49 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1zza n GLU 50 N 0.00 2.95 0.00 5.31 0.00 -1.26 -5.03 120.64 122.61 1zza n GLU 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1zza n GLU 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1zza n GLU 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1zza n SER 51 N -0.57 1.25 -0.08 4.31 2.88 -1.26 -4.71 113.62 115.43 1zza n SER 51 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1zza n SER 51 Cb 0.00 0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1zza h ILE 52 N 0.00 0.69 0.00 2.46 2.04 -1.98 -3.44 117.51 117.28 1zza h ILE 52 Ca 0.00 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1zza h ILE 52 Cb 0.31 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1zza h ILE 52 CO 0.00 0.23 -0.07 0.58 0.00 0.00 0.00 178.15 178.90 1zza h VAL 53 N -1.00 0.00 0.00 1.67 2.07 -1.98 -3.48 116.25 113.53 1zza h VAL 53 Ca -0.16 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1zza h VAL 53 Cb 0.89 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1zza h VAL 53 CO -0.10 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1zza n GLY 54 N 1.73 1.52 3.75 2.17 0.00 -1.26 -4.99 105.19 108.11 1zza n GLY 54 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.16 4.46 0.12 1.61 2.15 -1.26 -2.73 116.67 117.87 1zza s ASP 55 Ca 0.00 2.03 0.00 0.00 0.43 0.00 0.00 52.55 55.01 1zza s ASP 55 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1zza s ASP 55 CO 0.00 -2.07 0.00 0.61 -0.17 0.00 0.00 175.17 173.54 1zza n GLY 56 N -0.48 -0.92 0.00 2.66 0.00 -0.46 -4.89 105.19 101.10 1zza n GLY 56 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1zza n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1zza n GLU 57 N -2.76 2.19 0.06 1.61 4.07 0.14 -4.06 120.64 121.89 1zza n GLU 57 Ca 0.00 -0.17 -0.12 0.00 -0.06 0.00 0.00 57.16 56.81 1zza n GLU 57 Cb 0.00 -0.59 -0.06 0.00 -0.06 0.00 0.00 31.44 30.73 1zza n GLU 57 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1zza h THR 58 N 0.15 0.86 0.00 6.31 2.02 -1.86 -3.34 112.91 117.05 1zza h THR 58 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1zza h THR 58 Cb 0.07 0.86 -0.21 0.00 -1.74 0.00 0.00 68.15 67.13 1zza h THR 58 CO 0.00 0.00 -0.76 2.29 0.37 0.00 0.00 175.52 177.42 1zza n LYS 59 N -5.17 0.46 -4.27 6.66 2.85 -1.26 -5.04 118.16 112.39 1zza n LYS 59 Ca -0.07 -2.19 -0.20 0.00 -1.05 0.00 0.00 58.31 54.80 1zza n LYS 59 Cb 0.10 -0.56 -0.16 0.00 -0.65 0.00 0.00 35.03 33.75 1zza n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1zza s GLU 60 N -0.96 0.95 -0.41 -1.58 8.01 -1.25 -5.02 118.70 118.43 1zza s GLU 60 Ca 0.29 -0.19 -0.05 0.00 0.01 0.00 0.00 54.97 55.03 1zza s GLU 60 Cb 0.32 -0.90 -0.14 0.00 -4.31 0.00 0.00 34.13 29.09 1zza s GLU 60 CO -0.11 -0.02 2.58 -0.35 0.01 0.00 0.00 175.26 177.38 1zza n PRO 61 N 3.80 1.83 0.06 0.39 -0.04 -1.26 -4.37 135.00 135.40 1zza n PRO 61 Ca -0.23 -1.05 -0.13 0.00 -0.04 0.00 0.00 63.50 62.05 1zza n PRO 61 Cb 0.52 -2.10 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 1zza n PRO 61 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1zza h PHE 62 N 4.61 -0.08 -0.34 0.54 3.57 -1.92 -0.95 116.94 122.38 1zza h PHE 62 Ca 0.31 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1zza h PHE 62 Cb 0.76 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1zza h PHE 62 CO 1.69 0.09 0.10 -0.07 -2.23 0.00 0.00 178.31 177.89 1zza h LEU 63 N -0.24 0.44 0.67 0.59 3.38 -1.86 0.54 115.31 118.83 1zza h LEU 63 Ca -0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1zza h LEU 63 Cb 0.21 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1zza h LEU 63 CO 0.01 0.44 -0.32 0.25 0.09 0.00 0.00 178.44 178.91 1zza h LEU 64 N 0.48 -0.76 -0.94 1.67 6.46 -1.80 0.19 115.31 120.61 1zza h LEU 64 Ca 0.12 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1zza h LEU 64 Cb 0.16 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1zza h LEU 64 CO -0.01 -0.49 -0.43 -0.37 -0.62 0.00 0.00 178.44 176.53 1zza h VAL 65 N -1.00 1.32 0.45 1.05 -1.51 -0.97 0.22 116.25 115.81 1zza h VAL 65 Ca -0.09 -1.56 -0.02 0.00 -1.23 0.00 0.00 66.70 63.80 1zza h VAL 65 Cb 0.72 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 1zza h VAL 65 CO 0.15 0.46 -0.22 1.56 -1.23 0.00 0.00 177.57 178.30 1zza h GLN 66 N 0.18 -0.58 -0.58 5.19 1.08 0.25 0.94 115.11 121.58 1zza h GLN 66 Ca 0.01 0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 1zza h GLN 66 Cb 0.83 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1zza h GLN 66 CO 0.07 -0.36 0.07 -0.92 -0.95 0.00 0.00 178.83 176.74 1zza h TYR 67 N -0.67 1.05 -0.64 2.96 5.03 -0.55 -0.15 116.97 123.99 1zza h TYR 67 Ca -0.06 -0.16 0.12 0.00 2.58 0.00 0.00 58.73 61.21 1zza h TYR 67 Cb 0.50 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 1zza h TYR 67 CO -0.03 0.92 0.44 0.77 -1.32 0.00 0.00 178.16 178.94 1zza h SER 68 N 0.87 0.32 0.24 -2.11 0.02 -0.34 0.94 113.55 113.49 1zza h SER 68 Ca 0.17 0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.81 1zza h SER 68 Cb 0.46 -0.05 0.03 0.00 0.14 0.00 0.00 62.40 62.98 1zza h SER 68 CO 0.02 0.18 -1.45 0.00 -1.14 0.00 0.00 176.83 174.44 1zza h ALA 69 N 1.68 -0.12 0.12 3.77 0.00 -0.13 -3.35 119.26 121.23 1zza h ALA 69 Ca 0.31 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1zza h ALA 69 Cb 0.72 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1zza h ALA 69 CO -0.08 0.70 -0.10 0.87 0.00 0.00 0.00 179.25 180.64 1zza h LYS 70 N 0.08 -0.22 -0.50 0.00 1.79 0.37 -0.37 116.57 117.72 1zza h LYS 70 Ca -0.26 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1zza h LYS 70 Cb 2.10 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 32.74 1zza h LYS 70 CO 0.25 -0.15 -0.30 0.41 -1.08 0.00 0.00 179.45 178.59 1zza n GLY 71 N -1.21 -2.82 0.31 3.86 0.00 0.19 0.22 105.19 105.74 1zza n GLY 71 Ca -0.08 0.88 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 1zza n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zza h PRO 72 N 0.00 1.05 -0.40 1.61 0.13 -1.69 0.26 132.00 132.96 1zza h PRO 72 Ca 0.08 -0.30 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1zza h PRO 72 Cb 0.21 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.21 1zza h PRO 72 CO -0.47 0.99 0.15 0.00 -0.23 0.00 0.00 178.00 178.44 1zza h VAL 74 N 0.50 1.28 -0.95 0.00 2.07 0.29 -0.91 116.25 118.53 1zza h VAL 74 Ca 0.13 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1zza h VAL 74 Cb 0.21 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1zza h VAL 74 CO -0.01 0.28 0.62 -0.08 0.02 0.00 0.00 177.57 178.40 1zza h GLU 75 N -0.01 1.11 0.48 1.57 4.22 -0.30 0.42 114.58 122.07 1zza h GLU 75 Ca 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 1zza h GLU 75 Cb 0.44 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1zza h GLU 75 CO 0.01 0.74 -0.23 -0.09 -2.18 0.00 0.00 179.01 177.26 1zza h ARG 76 N 1.15 -0.62 -0.22 1.92 2.43 0.20 -0.81 114.38 118.43 1zza h ARG 76 Ca 0.39 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.62 1zza h ARG 76 Cb 0.10 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1zza h ARG 76 CO -0.14 -0.41 0.15 1.57 -1.51 0.00 0.00 179.97 179.63 1zza h LYS 77 N -0.75 0.24 -0.46 0.20 2.10 -1.05 0.47 116.57 117.32 1zza h LYS 77 Ca -0.07 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.51 1zza h LYS 77 Cb 0.49 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.75 1zza h LYS 77 CO 0.11 0.16 0.07 0.00 -2.00 0.00 0.00 179.45 177.78 1zza h ALA 78 N 1.87 0.61 -0.00 0.07 0.00 -0.10 0.17 119.26 121.87 1zza h ALA 78 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1zza h ALA 78 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1zza h ALA 78 CO -0.02 0.34 -0.01 0.87 0.00 0.00 0.00 179.25 180.43 1zza h LYS 79 N 0.62 0.01 -0.99 0.00 1.57 -0.12 0.55 116.57 118.21 1zza h LYS 79 Ca 0.14 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.05 1zza h LYS 79 Cb 0.39 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 1zza h LYS 79 CO 0.01 0.62 0.62 1.25 -0.57 0.00 0.00 179.45 181.37 1zza h LEU 80 N -0.60 0.88 0.09 2.94 5.85 -0.05 -2.28 115.31 122.14 1zza h LEU 80 Ca -0.00 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 1zza h LEU 80 Cb 0.62 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1zza h LEU 80 CO 0.00 0.44 -0.63 -0.03 -0.34 0.00 0.00 178.44 177.88 1zza h MET 81 N 0.93 0.20 0.00 1.25 4.05 -0.67 -3.50 114.93 117.20 1zza h MET 81 Ca 0.51 -0.34 0.11 0.00 -0.28 0.00 0.00 59.70 59.69 1zza h MET 81 Cb 0.57 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.47 1zza h MET 81 CO -0.29 1.16 -0.14 2.41 0.23 0.00 0.00 176.91 180.28 1zza n THR 82 N -4.26 0.00 1.52 -0.77 -1.04 0.19 -3.26 114.28 106.66 1zza n THR 82 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1zza n THR 82 Cb 0.73 -0.13 0.01 0.00 -1.82 0.00 0.00 70.33 69.11 1zza n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1zza n PRO 83 N -2.11 1.09 0.00 -2.82 -0.04 -1.26 -4.86 135.00 125.00 1zza n PRO 83 Ca 0.00 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1zza n PRO 83 Cb 0.18 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1zza n PRO 83 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zza n ASN 84 N -0.24 0.00 -4.76 3.54 2.85 -1.20 -4.95 115.26 110.49 1zza n ASN 84 Ca 0.01 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.08 1zza n ASN 84 Cb 0.13 -0.04 -0.05 0.00 1.24 0.00 0.00 39.78 41.07 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1zza s GLY 85 N -0.21 3.07 0.48 8.20 0.00 -1.26 -4.86 107.32 112.73 1zza s GLY 85 Ca 0.00 0.85 0.33 0.00 0.00 0.00 0.00 44.72 45.90 1zza s GLY 85 CO 0.00 1.44 1.99 -0.56 0.00 0.00 0.00 173.10 175.97 1zza h PRO 86 N 3.83 0.00 -0.64 2.90 0.13 -1.93 -0.40 132.00 135.89 1zza h PRO 86 Ca -0.46 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1zza h PRO 86 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1zza h PRO 86 CO 0.67 0.00 0.43 0.93 -0.23 0.00 0.00 178.00 179.79 1zza h GLU 87 N 0.00 0.55 0.00 0.86 3.07 -1.99 -3.10 114.58 113.96 1zza h GLU 87 Ca 0.00 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 1zza h GLU 87 Cb 0.17 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1zza h GLU 87 CO 0.00 0.37 -1.69 0.28 -1.40 0.00 0.00 179.01 176.57 1zza n VAL 88 N -4.48 0.69 -3.48 3.13 0.31 -0.91 -4.86 118.33 108.73 1zza n VAL 88 Ca 0.10 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.58 1zza n VAL 88 Cb 0.29 -0.74 -0.06 0.00 -0.91 0.00 0.00 33.84 32.42 1zza n VAL 88 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1zza s HIS 89 N -2.24 3.48 0.00 3.52 5.65 -0.21 -4.97 115.29 120.52 1zza s HIS 89 Ca -0.05 -1.95 0.00 0.00 0.25 0.00 0.00 55.06 53.31 1zza s HIS 89 Cb 0.03 -3.59 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 1zza s HIS 89 CO 0.41 -0.97 0.00 0.41 -0.65 0.00 0.00 174.74 173.94