#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 -1.87 1.61 2.88 -1.26 -1.25 113.62 113.73 1zza n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1zza n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1zza n SER 2 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1zza n MET 3 N 7.16 1.44 -3.14 -1.46 0.00 -1.26 -4.36 117.12 115.51 1zza n MET 3 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 57.70 57.07 1zza n MET 3 Cb 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 33.22 31.58 1zza n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1zza s SER 4 N 2.07 -0.56 0.00 3.17 0.01 -0.38 -4.93 113.70 113.09 1zza s SER 4 Ca 0.37 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1zza s SER 4 Cb 0.18 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.77 1zza s SER 4 CO 0.00 -0.16 0.00 2.30 0.41 0.00 0.00 173.24 175.79 1zza n ILE 5 N 3.79 0.00 0.00 1.44 -5.35 -1.26 0.16 119.36 118.13 1zza n ILE 5 Ca 0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1zza n ILE 5 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 0.00 0.00 6.28 2.81 -1.26 -4.45 117.12 120.50 1zza n MET 6 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1zza n MET 6 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1zza n MET 6 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1zza n ASP 7 N 0.90 0.00 0.21 7.83 8.00 -1.26 -4.35 116.55 127.88 1zza n ASP 7 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1zza n ASP 7 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.55 1zza n ASP 7 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1zza h HIS 8 N 0.00 0.00 -0.30 1.24 2.76 -1.98 -3.37 115.15 113.50 1zza h HIS 8 Ca 0.00 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 1zza h HIS 8 Cb 0.00 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 28.78 1zza h HIS 8 CO 0.00 0.29 -0.57 0.45 -1.30 0.00 0.00 177.93 176.80 1zza n SER 9 N -4.00 -2.15 -4.56 3.26 2.88 -1.26 -5.07 113.62 102.71 1zza n SER 9 Ca -0.02 -3.42 -0.30 0.00 -1.33 0.00 0.00 58.87 53.80 1zza n SER 9 Cb 0.35 1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 65.28 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 0.13 2.81 0.27 -1.46 0.04 -1.26 -4.81 135.00 130.72 1zza s PRO 10 Ca 0.28 -0.63 -0.00 0.00 0.04 0.00 0.00 61.00 60.69 1zza s PRO 10 Cb 0.26 -5.16 0.52 0.00 0.04 0.00 0.00 34.50 30.15 1zza s PRO 10 CO -0.14 -3.18 1.83 0.00 0.04 0.00 0.00 177.00 175.55 1zza h THR 11 N 6.97 0.91 -0.81 1.26 1.03 -1.98 0.33 112.91 120.61 1zza h THR 11 Ca 0.15 -0.32 -0.02 0.00 -0.01 0.00 0.00 66.41 66.21 1zza h THR 11 Cb 0.99 -0.11 -0.04 0.00 -1.07 0.00 0.00 68.15 67.93 1zza h THR 11 CO 1.26 0.17 0.44 0.71 -0.01 0.00 0.00 175.52 178.09 1zza h THR 12 N 0.93 1.24 0.06 0.00 1.35 -1.92 0.33 112.91 114.91 1zza h THR 12 Ca 0.47 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1zza h THR 12 Cb 0.47 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1zza h THR 12 CO -0.27 0.27 -0.03 1.23 -0.25 0.00 0.00 175.52 176.48 1zza h GLY 13 N 1.17 -0.09 0.55 5.82 0.00 -1.34 0.17 103.07 109.34 1zza h GLY 13 Ca 0.29 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.75 1zza h GLY 13 CO -0.04 -0.03 0.62 -2.08 0.00 0.00 0.00 176.54 175.00 1zza h VAL 14 N -0.61 0.96 -0.32 4.60 2.07 -0.20 0.13 116.25 122.88 1zza h VAL 14 Ca -0.01 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 1zza h VAL 14 Cb 0.52 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1zza h VAL 14 CO 0.01 0.19 -0.23 0.58 0.02 0.00 0.00 177.57 178.14 1zza h VAL 15 N 1.02 1.29 0.11 2.57 2.07 -0.27 -0.63 116.25 122.42 1zza h VAL 15 Ca 0.47 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1zza h VAL 15 Cb 0.39 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1zza h VAL 15 CO -0.24 0.44 -0.16 0.74 0.02 0.00 0.00 177.57 178.37 1zza h THR 16 N 0.48 0.63 -0.52 2.57 2.02 0.81 0.34 112.91 119.23 1zza h THR 16 Ca 0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1zza h THR 16 Cb 0.78 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1zza h THR 16 CO 0.06 0.00 0.08 -0.37 0.37 0.00 0.00 175.52 175.66 1zza h VAL 17 N -0.33 1.23 -0.56 3.16 -1.51 -0.81 -0.22 116.25 117.22 1zza h VAL 17 Ca 0.02 -0.89 -0.09 0.00 -1.23 0.00 0.00 66.70 64.51 1zza h VAL 17 Cb 0.34 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 1zza h VAL 17 CO -0.08 0.32 -0.01 0.40 -1.23 0.00 0.00 177.57 176.98 1zza h ILE 18 N 0.78 1.26 -0.34 7.19 2.04 -0.54 0.43 117.51 128.34 1zza h ILE 18 Ca 0.17 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1zza h ILE 18 Cb 0.35 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1zza h ILE 18 CO 0.01 0.40 0.08 0.58 0.00 0.00 0.00 178.15 179.23 1zza h VAL 19 N 0.87 1.22 -0.32 1.67 2.07 0.04 0.52 116.25 122.32 1zza h VAL 19 Ca 0.16 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1zza h VAL 19 Cb 0.55 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1zza h VAL 19 CO 0.03 0.25 0.16 0.40 0.02 0.00 0.00 177.57 178.43 1zza h ILE 20 N 0.39 1.15 -0.04 4.57 2.04 -0.79 0.23 117.51 125.06 1zza h ILE 20 Ca 0.11 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1zza h ILE 20 Cb 0.29 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1zza h ILE 20 CO 0.00 0.16 0.03 -0.07 0.00 0.00 0.00 178.15 178.26 1zza h LEU 21 N 0.39 0.05 -0.74 1.44 3.38 0.10 0.31 115.31 120.23 1zza h LEU 21 Ca 0.11 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1zza h LEU 21 Cb 0.10 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1zza h LEU 21 CO -0.02 0.04 0.43 0.40 0.09 0.00 0.00 178.44 179.39 1zza h ILE 22 N 0.05 0.99 -0.26 1.22 2.04 0.34 0.20 117.51 122.09 1zza h ILE 22 Ca 0.02 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1zza h ILE 22 Cb -0.00 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1zza h ILE 22 CO -0.00 0.14 0.07 0.00 0.00 0.00 0.00 178.15 178.37 1zza h ALA 23 N 1.37 0.34 -0.39 1.87 0.00 0.06 0.24 119.26 122.75 1zza h ALA 23 Ca 0.33 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1zza h ALA 23 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1zza h ALA 23 CO -0.18 -0.03 0.24 0.82 0.00 0.00 0.00 179.25 180.11 1zza h ILE 24 N 0.25 1.08 -0.44 0.00 1.08 0.31 0.35 117.51 120.12 1zza h ILE 24 Ca 0.08 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1zza h ILE 24 Cb 0.25 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1zza h ILE 24 CO -0.00 0.09 0.23 0.00 -0.69 0.00 0.00 178.15 177.78 1zza h ALA 25 N 1.15 0.57 -0.57 1.87 0.00 -0.43 0.31 119.26 122.16 1zza h ALA 25 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 25 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1zza h ALA 25 CO -0.05 0.11 0.32 0.00 0.00 0.00 0.00 179.25 179.64 1zza h ALA 26 N 1.08 0.73 -0.16 0.00 0.00 -0.04 0.26 119.26 121.12 1zza h ALA 26 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1zza h ALA 26 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1zza h ALA 26 CO -0.02 0.23 0.08 1.25 0.00 0.00 0.00 179.25 180.80 1zza h LEU 27 N 0.77 0.20 -0.60 0.00 6.46 0.13 0.37 115.31 122.64 1zza h LEU 27 Ca 0.20 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1zza h LEU 27 Cb 0.02 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 1zza h LEU 27 CO -0.03 0.23 0.33 1.23 -0.62 0.00 0.00 178.44 179.58 1zza h GLY 28 N 0.15 0.86 0.98 3.75 0.00 0.04 0.20 103.07 109.06 1zza h GLY 28 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1zza h GLY 28 CO -0.01 0.16 0.14 0.00 0.00 0.00 0.00 176.54 176.83 1zza h ALA 29 N 1.30 0.66 -0.86 3.60 0.00 -0.04 0.25 119.26 124.18 1zza h ALA 29 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1zza h ALA 29 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1zza h ALA 29 CO -0.16 0.34 0.55 -0.07 0.00 0.00 0.00 179.25 179.92 1zza h LEU 30 N 0.69 1.00 0.16 0.00 3.38 0.58 0.32 115.31 121.43 1zza h LEU 30 Ca 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1zza h LEU 30 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1zza h LEU 30 CO -0.00 0.74 -0.08 0.40 0.09 0.00 0.00 178.44 179.59 1zza h ILE 31 N 1.17 0.97 -0.51 1.22 2.04 -0.23 0.30 117.51 122.46 1zza h ILE 31 Ca 0.31 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1zza h ILE 31 Cb -0.11 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 1zza h ILE 31 CO -0.06 0.20 0.15 0.25 0.00 0.00 0.00 178.15 178.68 1zza h LEU 32 N -0.67 0.10 -0.22 1.44 6.46 -0.32 0.21 115.31 122.30 1zza h LEU 32 Ca -0.02 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1zza h LEU 32 Cb 0.49 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1zza h LEU 32 CO 0.04 0.08 0.12 1.23 -0.62 0.00 0.00 178.44 179.29 1zza h GLY 33 N 0.30 0.34 0.79 3.75 0.00 -0.36 0.29 103.07 108.18 1zza h GLY 33 Ca 0.25 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1zza h GLY 33 CO -0.29 0.15 0.54 0.00 0.00 0.00 0.00 176.54 176.93 1zza h TRP 35 N 1.01 0.91 0.00 0.00 6.55 -0.14 -3.45 115.95 120.84 1zza h TRP 35 Ca 0.36 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.97 1zza h TRP 35 Cb 0.09 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 1zza h TRP 35 CO -0.03 0.97 0.00 0.00 -1.05 0.00 0.00 178.44 178.33 1zza n TYR 37 N 0.00 0.00 -0.17 0.00 4.01 -1.26 -4.88 117.16 114.86 1zza n TYR 37 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1zza n TYR 37 Cb 0.00 0.05 0.21 0.00 -0.31 0.00 0.00 39.34 39.29 1zza n TYR 37 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 1zza n LEU 38 N 0.00 4.17 -0.18 7.72 -0.00 -0.37 -4.52 117.00 123.83 1zza n LEU 38 Ca 0.00 -2.14 -0.01 0.00 -0.00 0.00 0.00 56.01 53.86 1zza n LEU 38 Cb 0.56 -0.63 0.07 0.00 -0.00 0.00 0.00 43.42 43.41 1zza n LEU 38 CO 0.00 0.56 0.82 0.03 -0.00 0.00 0.00 177.39 178.81 1zza h ARG 39 N 1.92 0.09 -2.78 1.47 3.08 -1.86 -2.69 114.38 113.61 1zza h ARG 39 Ca 0.10 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.89 1zza h ARG 39 Cb 1.57 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 1zza h ARG 39 CO 0.39 0.06 1.15 1.28 -1.07 0.00 0.00 179.97 181.77 1zza n LEU 40 N -5.28 4.28 0.07 3.04 4.32 -1.26 -4.26 117.00 117.92 1zza n LEU 40 Ca 0.07 -2.60 0.12 0.00 -0.02 0.00 0.00 56.01 53.57 1zza n LEU 40 Cb 0.31 -1.02 0.06 0.00 -1.62 0.00 0.00 43.42 41.15 1zza n LEU 40 CO 0.12 0.89 0.11 0.00 -1.22 0.00 0.00 177.39 177.29 1zza n GLN 41 N 3.27 0.42 0.00 3.23 10.64 -1.01 -5.01 117.38 128.92 1zza n GLN 41 Ca 0.37 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.61 1zza n GLN 41 Cb 0.40 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1zza n ARG 42 N -2.29 0.00 -0.16 2.61 3.00 -1.26 -4.99 116.66 113.57 1zza n ARG 42 Ca 0.02 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.05 1zza n ARG 42 Cb 0.48 0.00 0.56 0.00 0.00 0.00 0.00 32.46 33.50 1zza n ARG 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1zza h ILE 43 N 0.00 0.72 -1.11 5.15 3.07 -1.94 -3.40 117.51 120.01 1zza h ILE 43 Ca 0.00 -0.10 -0.51 0.00 1.55 0.00 0.00 64.86 65.79 1zza h ILE 43 Cb 0.00 0.40 -0.02 0.00 -0.27 0.00 0.00 36.82 36.92 1zza h ILE 43 CO 0.00 0.06 1.63 -1.54 -1.05 0.00 0.00 178.15 177.25 1zza n SER 44 N -4.45 1.78 0.10 2.16 3.41 -1.26 -4.80 113.62 110.56 1zza n SER 44 Ca 0.16 -0.14 0.02 0.00 -0.26 0.00 0.00 58.87 58.64 1zza n SER 44 Cb 0.64 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.22 1zza n SER 44 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1zza h GLN 45 N 16.21 0.00 0.00 4.33 4.20 -1.87 -3.35 115.11 134.63 1zza h GLN 45 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1zza h GLN 45 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1zza h GLN 45 CO 1.19 0.39 -0.02 0.45 -0.67 0.00 0.00 178.83 180.17 1zza n SER 46 N -3.06 0.13 -4.70 1.46 2.88 -1.26 -4.81 113.62 104.26 1zza n SER 46 Ca -0.03 0.02 -0.25 0.00 -1.33 0.00 0.00 58.87 57.28 1zza n SER 46 Cb 0.76 -0.13 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 1zza n SER 46 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1zza s GLU 47 N -1.12 2.14 0.00 -1.46 2.02 -1.26 -4.54 118.70 114.48 1zza s GLU 47 Ca -0.01 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.09 1zza s GLU 47 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1zza s GLU 47 CO 0.01 -0.06 0.00 -3.47 0.02 0.00 0.00 175.26 171.75 1zza n ASP 48 N -1.13 0.23 0.00 -0.19 2.03 -1.26 -4.65 116.55 111.57 1zza n ASP 48 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1zza n ASP 48 Cb 0.65 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1zza n ASP 48 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1zza n GLU 49 N -0.93 2.17 -2.31 -0.67 0.00 -1.26 -4.70 120.64 112.94 1zza n GLU 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 1zza n GLU 49 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.43 1zza n GLU 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1zza s GLU 50 N 0.00 3.19 0.01 3.44 2.12 -1.26 -4.12 118.70 122.08 1zza s GLU 50 Ca 0.00 -1.57 0.00 0.00 0.36 0.00 0.00 54.97 53.76 1zza s GLU 50 Cb 0.00 -5.38 0.00 0.00 0.26 0.00 0.00 34.13 29.01 1zza s GLU 50 CO 0.00 -3.19 0.00 0.45 -0.54 0.00 0.00 175.26 171.98 1zza n SER 51 N 11.59 -0.05 0.20 -1.70 2.88 -1.26 -4.92 113.62 120.36 1zza n SER 51 Ca 0.47 0.01 0.06 0.00 -1.33 0.00 0.00 58.87 58.08 1zza n SER 51 Cb 0.46 0.51 0.43 0.00 -0.75 0.00 0.00 64.21 64.87 1zza n SER 51 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1zza h ILE 52 N 0.00 1.01 -0.50 2.46 -0.00 -1.84 -2.30 117.51 116.34 1zza h ILE 52 Ca 0.00 -1.18 0.06 0.00 -0.00 0.00 0.00 64.86 63.75 1zza h ILE 52 Cb 0.00 1.68 -0.03 0.00 -0.00 0.00 0.00 36.82 38.47 1zza h ILE 52 CO 0.00 0.31 0.33 -0.37 -0.00 0.00 0.00 178.15 178.42 1zza h VAL 53 N 0.00 0.96 -1.16 0.16 -1.51 -1.84 -0.58 116.25 112.29 1zza h VAL 53 Ca -0.00 -0.14 -0.67 0.00 -1.23 0.00 0.00 66.70 64.65 1zza h VAL 53 Cb 0.65 0.51 -0.31 0.00 -2.13 0.00 0.00 31.29 30.01 1zza h VAL 53 CO 0.04 0.08 0.60 0.61 -1.23 0.00 0.00 177.57 177.67 1zza n GLY 54 N -1.51 5.90 3.29 5.19 0.00 -0.87 -4.90 105.19 112.29 1zza n GLY 54 Ca 0.07 -2.41 -0.45 0.00 0.00 0.00 0.00 46.02 43.23 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 -2.03 6.31 0.19 1.61 -1.08 -0.23 -4.59 116.67 116.85 1zza s ASP 55 Ca 0.60 -2.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1zza s ASP 55 Cb 0.48 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.78 1zza s ASP 55 CO -0.08 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.53 1zza n GLY 56 N 4.57 -1.03 0.07 2.66 0.00 -1.26 -4.93 105.19 105.27 1zza n GLY 56 Ca -0.00 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.90 0.65 -0.65 1.61 0.00 -1.26 -4.58 120.64 113.51 1zza n GLU 57 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.95 1zza n GLU 57 Cb 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 31.44 29.78 1zza n GLU 57 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1zza n THR 58 N -2.58 2.01 -2.63 3.84 -2.24 -1.26 -4.77 114.28 106.65 1zza n THR 58 Ca -0.11 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1zza n THR 58 Cb 0.75 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1zza n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1zza n LYS 59 N 4.52 3.11 -2.63 -0.78 4.76 -1.26 -5.05 118.16 120.83 1zza n LYS 59 Ca 0.38 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.39 1zza n LYS 59 Cb 0.13 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.30 1zza n LYS 59 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1zza s GLU 60 N 1.37 3.98 0.24 1.97 -6.30 -1.26 -4.92 118.70 113.78 1zza s GLU 60 Ca 0.00 0.95 -0.04 0.00 -2.50 0.00 0.00 54.97 53.37 1zza s GLU 60 Cb 0.00 -3.78 0.25 0.00 0.00 0.00 0.00 34.13 30.60 1zza s GLU 60 CO 0.00 -1.02 1.74 -1.00 0.02 0.00 0.00 175.26 175.00 1zza h PRO 61 N 8.37 0.92 0.46 4.30 0.13 -1.98 -0.69 132.00 143.52 1zza h PRO 61 Ca -0.21 -0.24 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1zza h PRO 61 Cb 1.06 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1zza h PRO 61 CO 1.06 0.88 -0.22 0.35 -0.23 0.00 0.00 178.00 179.83 1zza h PHE 62 N 0.86 -0.58 -0.79 1.56 3.57 -1.99 -1.22 116.94 118.36 1zza h PHE 62 Ca 0.17 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1zza h PHE 62 Cb 0.43 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1zza h PHE 62 CO 0.03 -0.29 0.52 -0.07 -2.23 0.00 0.00 178.31 176.27 1zza h LEU 63 N -0.76 0.90 -0.13 0.59 3.38 -1.97 0.36 115.31 117.67 1zza h LEU 63 Ca -0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1zza h LEU 63 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1zza h LEU 63 CO 0.10 0.65 0.04 0.25 0.09 0.00 0.00 178.44 179.57 1zza h LEU 64 N 1.06 0.03 -0.36 1.67 5.85 -0.89 0.17 115.31 122.85 1zza h LEU 64 Ca 0.29 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.84 1zza h LEU 64 Cb -0.11 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1zza h LEU 64 CO -0.07 0.04 -0.71 0.58 -0.34 0.00 0.00 178.44 177.94 1zza h VAL 65 N 0.10 1.34 -0.40 1.05 2.07 -0.78 -0.71 116.25 118.92 1zza h VAL 65 Ca 0.06 -2.04 0.03 0.00 0.82 0.00 0.00 66.70 65.57 1zza h VAL 65 Cb 0.04 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1zza h VAL 65 CO -0.06 0.62 0.20 -0.61 0.02 0.00 0.00 177.57 177.74 1zza h GLN 66 N 0.37 0.39 -0.25 1.57 5.75 0.12 0.71 115.11 123.78 1zza h GLN 66 Ca -0.03 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.32 1zza h GLN 66 Cb 1.30 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.76 1zza h GLN 66 CO 0.13 0.26 -0.33 -0.92 -2.65 0.00 0.00 178.83 175.32 1zza h TYR 67 N 0.40 0.80 -0.74 3.99 3.20 -0.64 0.21 116.97 124.20 1zza h TYR 67 Ca 0.17 -0.26 0.01 0.00 3.14 0.00 0.00 58.73 61.79 1zza h TYR 67 Cb 0.09 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1zza h TYR 67 CO -0.10 1.01 0.49 0.77 -1.64 0.00 0.00 178.16 178.68 1zza h SER 68 N 0.37 0.86 0.13 -2.11 0.02 -0.62 0.19 113.55 112.39 1zza h SER 68 Ca 0.03 -0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.70 1zza h SER 68 Cb 0.91 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1zza h SER 68 CO 0.08 0.63 -1.26 0.00 -1.14 0.00 0.00 176.83 175.13 1zza h ALA 69 N 1.53 0.08 0.00 3.77 0.00 0.54 -3.35 119.26 121.83 1zza h ALA 69 Ca 0.27 -0.96 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1zza h ALA 69 Cb -0.11 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1zza h ALA 69 CO -0.06 0.69 -0.29 1.57 0.00 0.00 0.00 179.25 181.17 1zza h LYS 70 N -0.28 0.00 0.28 0.00 5.09 -0.48 -1.20 116.57 119.98 1zza h LYS 70 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.48 1zza h LYS 70 Cb 1.77 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.08 1zza h LYS 70 CO 0.10 0.29 -0.27 0.78 -2.09 0.00 0.00 179.45 178.26 1zza h GLY 71 N 1.77 -1.00 1.35 0.07 0.00 -0.74 0.73 103.07 105.26 1zza h GLY 71 Ca -0.00 0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.69 1zza h GLY 71 CO 0.04 -0.32 -0.06 -0.56 0.00 0.00 0.00 176.54 175.63 1zza h PRO 72 N -0.55 0.78 -0.38 4.80 0.13 -1.70 0.26 132.00 135.35 1zza h PRO 72 Ca -0.04 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1zza h PRO 72 Cb 0.48 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1zza h PRO 72 CO -0.03 0.83 0.25 0.00 -0.23 0.00 0.00 178.00 178.82 1zza h VAL 74 N 0.51 1.33 -0.86 0.00 2.07 0.69 -0.34 116.25 119.65 1zza h VAL 74 Ca 0.14 -1.74 0.05 0.00 0.82 0.00 0.00 66.70 65.97 1zza h VAL 74 Cb -0.05 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1zza h VAL 74 CO -0.03 0.54 0.54 -0.08 0.02 0.00 0.00 177.57 178.56 1zza h GLU 75 N 0.32 0.98 -0.14 1.57 4.22 -0.20 0.24 114.58 121.57 1zza h GLU 75 Ca -0.01 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.28 1zza h GLU 75 Cb 1.11 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1zza h GLU 75 CO 0.11 0.65 -0.26 -0.09 -2.18 0.00 0.00 179.01 177.24 1zza h ARG 76 N 1.01 0.42 -0.57 1.92 2.43 -0.14 -0.52 114.38 118.92 1zza h ARG 76 Ca 0.37 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1zza h ARG 76 Cb 0.12 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1zza h ARG 76 CO -0.15 0.86 0.37 0.87 -1.51 0.00 0.00 179.97 180.41 1zza h LYS 77 N 0.02 0.76 -0.07 0.20 1.57 -0.58 0.43 116.57 118.91 1zza h LYS 77 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1zza h LYS 77 Cb 0.84 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1zza h LYS 77 CO 0.06 0.52 0.02 0.00 -0.57 0.00 0.00 179.45 179.47 1zza h ALA 78 N 1.20 0.09 -0.17 3.86 0.00 -0.53 0.43 119.26 124.15 1zza h ALA 78 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 78 Cb -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1zza h ALA 78 CO -0.04 -0.29 -0.08 0.87 0.00 0.00 0.00 179.25 179.71 1zza h LYS 79 N -0.10 0.35 0.15 0.00 1.57 -0.87 0.60 116.57 118.26 1zza h LYS 79 Ca 0.02 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1zza h LYS 79 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1zza h LYS 79 CO 0.00 0.65 -0.07 1.25 -0.57 0.00 0.00 179.45 180.71 1zza h LEU 80 N 0.03 -0.17 0.00 2.94 5.85 -0.16 -3.38 115.31 120.43 1zza h LEU 80 Ca 0.04 -0.37 -0.17 0.00 0.84 0.00 0.00 57.88 58.22 1zza h LEU 80 Cb 0.55 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1zza h LEU 80 CO 0.02 0.33 -2.17 0.80 -0.34 0.00 0.00 178.44 177.09 1zza n MET 81 N -4.95 0.69 -3.04 1.25 1.56 0.07 -5.06 117.12 107.65 1zza n MET 81 Ca -0.08 -0.11 -0.16 0.00 -0.27 0.00 0.00 57.70 57.08 1zza n MET 81 Cb 0.26 -1.51 0.02 0.00 2.15 0.00 0.00 33.22 34.14 1zza n MET 81 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1zza n THR 82 N -2.48 -8.82 0.79 1.12 -1.04 0.21 -4.81 114.28 99.25 1zza n THR 82 Ca -0.17 0.75 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1zza n THR 82 Cb 0.84 -6.04 0.00 0.00 -1.82 0.00 0.00 70.33 63.31 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 -0.09 0.66 -0.63 -2.82 -0.04 -1.26 -4.44 135.00 126.37 1zza n PRO 83 Ca 0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 1zza n PRO 83 Cb 0.48 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.04 3.68 0.00 3.54 4.13 -1.26 -4.24 115.26 121.14 1zza n ASN 84 Ca 0.00 -2.15 0.00 0.00 1.68 0.00 0.00 54.58 54.11 1zza n ASN 84 Cb 0.13 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 37.46 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zza n GLY 85 N 3.05 1.66 1.38 7.41 0.00 -1.08 -4.98 105.19 112.63 1zza n GLY 85 Ca 0.31 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.57 0.00 1.61 -0.04 -1.26 0.79 135.00 135.53 1zza n PRO 86 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1zza n PRO 86 Cb 0.00 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1zza n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1zza n GLU 87 N -2.07 0.00 0.00 0.54 2.13 -1.26 -3.53 120.64 116.45 1zza n GLU 87 Ca 0.06 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.93 1zza n GLU 87 Cb 0.21 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.90 1zza n GLU 87 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1zza n VAL 88 N 0.00 0.00 -3.35 6.31 3.14 -1.26 -5.02 118.33 118.15 1zza n VAL 88 Ca 0.00 -0.35 -0.16 0.00 -2.96 0.00 0.00 64.34 60.87 1zza n VAL 88 Cb 0.00 1.10 0.08 0.00 -1.06 0.00 0.00 33.84 33.96 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 -0.49 -2.14 -1.87 1.45 8.25 -0.37 -5.04 115.22 115.00 1zza n HIS 89 Ca 0.04 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 1zza n HIS 89 Cb 0.22 -4.86 0.00 0.00 1.12 0.00 0.00 29.99 26.47 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39