#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 -1.75 -4.67 1.61 7.64 -1.26 -4.99 113.62 110.20 1zza n SER 2 Ca 0.00 -0.82 -0.31 0.00 1.01 0.00 0.00 58.87 58.75 1zza n SER 2 Cb 0.00 -3.99 -0.08 0.00 -1.01 0.00 0.00 64.21 59.13 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 -6.11 2.12 0.00 1.43 1.00 -1.26 -4.77 119.30 111.71 1zza s MET 3 Ca 0.12 -2.32 0.00 0.00 0.00 0.00 0.00 55.69 53.48 1zza s MET 3 Cb -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 34.83 33.32 1zza s MET 3 CO 0.82 -0.32 0.00 0.45 0.00 0.00 0.00 175.02 175.97 1zza n SER 4 N -1.21 0.00 -0.28 3.03 2.88 -1.26 -4.54 113.62 112.24 1zza n SER 4 Ca -0.15 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.48 1zza n SER 4 Cb 0.67 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.37 1zza n SER 4 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1zza h ILE 5 N 0.00 0.53 -0.34 2.46 3.07 -2.01 -2.23 117.51 118.99 1zza h ILE 5 Ca 0.00 -0.13 -0.26 0.00 1.55 0.00 0.00 64.86 66.02 1zza h ILE 5 Cb 0.00 0.12 -0.26 0.00 -0.27 0.00 0.00 36.82 36.40 1zza h ILE 5 CO 0.00 0.07 -0.77 0.23 -1.05 0.00 0.00 178.15 176.63 1zza n MET 6 N -5.06 2.18 -0.00 0.16 2.81 -1.26 -4.66 117.12 111.28 1zza n MET 6 Ca 0.18 -3.50 0.00 0.00 -1.81 0.00 0.00 57.70 52.57 1zza n MET 6 Cb 0.54 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.70 1.90 -3.04 7.83 8.00 -0.84 -4.78 116.55 124.93 1zza n ASP 7 Ca 0.25 -1.98 -0.38 0.00 0.71 0.00 0.00 54.79 53.39 1zza n ASP 7 Cb 0.87 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.98 1zza n ASP 7 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1zza n HIS 8 N -0.50 3.03 -1.95 1.24 -0.00 -1.24 -4.89 115.22 110.91 1zza n HIS 8 Ca 0.00 -2.54 -0.42 0.00 0.46 0.00 0.00 57.72 55.23 1zza n HIS 8 Cb 0.28 -1.04 -0.02 0.00 -0.12 0.00 0.00 29.99 29.08 1zza n HIS 8 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1zza s SER 9 N -1.52 6.59 0.70 0.26 0.01 -1.26 -4.98 113.70 113.50 1zza s SER 9 Ca 0.48 2.70 -0.13 0.00 1.31 0.00 0.00 55.95 60.32 1zza s SER 9 Cb 0.37 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 64.00 1zza s SER 9 CO -0.31 -0.77 1.09 -2.16 0.41 0.00 0.00 173.24 171.50 1zza s PRO 10 N -0.04 2.65 0.37 12.44 0.04 -1.26 -4.75 135.00 144.45 1zza s PRO 10 Ca 0.63 1.22 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1zza s PRO 10 Cb -0.43 -1.94 0.90 0.00 0.04 0.00 0.00 34.50 33.06 1zza s PRO 10 CO 0.41 -1.34 1.86 0.00 0.04 0.00 0.00 177.00 177.97 1zza h THR 11 N -0.50 0.78 -0.37 1.26 1.03 -1.99 0.18 112.91 113.30 1zza h THR 11 Ca -0.45 -0.21 -0.06 0.00 -0.01 0.00 0.00 66.41 65.68 1zza h THR 11 Cb 1.23 0.12 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 1zza h THR 11 CO 0.54 0.11 -0.03 0.71 -0.01 0.00 0.00 175.52 176.84 1zza h THR 12 N 0.61 1.22 0.38 0.00 1.35 -1.98 0.55 112.91 115.03 1zza h THR 12 Ca 0.46 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.40 1zza h THR 12 Cb 0.87 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1zza h THR 12 CO -0.21 0.31 -0.18 1.23 -0.25 0.00 0.00 175.52 176.42 1zza h GLY 13 N 0.90 -0.53 1.59 5.82 0.00 -1.03 0.75 103.07 110.57 1zza h GLY 13 Ca 0.11 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.64 1zza h GLY 13 CO 0.02 -0.19 0.28 -0.39 0.00 0.00 0.00 176.54 176.25 1zza h VAL 14 N -0.99 1.10 -0.21 4.60 -1.51 -1.30 -0.80 116.25 117.14 1zza h VAL 14 Ca -0.05 -0.19 -0.15 0.00 -1.23 0.00 0.00 66.70 65.08 1zza h VAL 14 Cb 0.52 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1zza h VAL 14 CO 0.08 0.10 -0.44 0.58 -1.23 0.00 0.00 177.57 176.66 1zza h VAL 15 N 0.56 1.32 0.12 7.19 2.07 -0.88 -0.54 116.25 126.09 1zza h VAL 15 Ca 0.15 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1zza h VAL 15 Cb -0.06 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1zza h VAL 15 CO -0.03 0.52 -0.10 0.74 0.02 0.00 0.00 177.57 178.72 1zza h THR 16 N 0.37 0.78 -0.75 2.57 2.02 -0.11 0.28 112.91 118.08 1zza h THR 16 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1zza h THR 16 Cb 1.05 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1zza h THR 16 CO 0.10 0.00 0.23 -0.37 0.37 0.00 0.00 175.52 175.85 1zza h VAL 17 N -0.23 1.26 -0.58 3.16 -1.51 -1.20 -0.93 116.25 116.23 1zza h VAL 17 Ca -0.00 -0.91 -0.04 0.00 -1.23 0.00 0.00 66.70 64.52 1zza h VAL 17 Cb 0.21 0.44 -0.03 0.00 -2.13 0.00 0.00 31.29 29.78 1zza h VAL 17 CO -0.01 0.36 0.22 0.40 -1.23 0.00 0.00 177.57 177.31 1zza h ILE 18 N 1.11 1.23 -0.50 7.19 1.08 -0.68 0.44 117.51 127.37 1zza h ILE 18 Ca 0.24 -0.72 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1zza h ILE 18 Cb 0.31 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 1zza h ILE 18 CO -0.01 0.28 0.16 0.58 -0.69 0.00 0.00 178.15 178.47 1zza h VAL 19 N 0.80 1.23 -0.10 1.67 2.07 -0.11 0.45 116.25 122.26 1zza h VAL 19 Ca 0.19 -0.76 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 1zza h VAL 19 Cb 0.22 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1zza h VAL 19 CO -0.01 0.28 -0.65 0.16 0.02 0.00 0.00 177.57 177.36 1zza h ILE 20 N 0.68 1.37 -0.18 4.57 3.07 -0.91 -0.95 117.51 125.16 1zza h ILE 20 Ca 0.16 -2.01 -0.07 0.00 1.55 0.00 0.00 64.86 64.49 1zza h ILE 20 Cb 0.27 2.00 -0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1zza h ILE 20 CO -0.01 0.61 -0.15 0.17 -1.05 0.00 0.00 178.15 177.72 1zza h LEU 21 N 0.29 0.44 -0.78 0.16 8.10 0.19 -0.01 115.31 123.70 1zza h LEU 21 Ca -0.01 -0.46 -0.06 0.00 0.11 0.00 0.00 57.88 57.46 1zza h LEU 21 Cb 1.20 -0.12 -0.03 0.00 -0.44 0.00 0.00 40.66 41.27 1zza h LEU 21 CO 0.11 0.81 0.26 0.16 -4.11 0.00 0.00 178.44 175.67 1zza h ILE 22 N 0.08 1.26 0.01 0.15 -0.00 -0.10 -0.14 117.51 118.78 1zza h ILE 22 Ca 0.03 -0.88 -0.00 0.00 -0.00 0.00 0.00 64.86 64.01 1zza h ILE 22 Cb 0.67 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 37.88 1zza h ILE 22 CO 0.04 0.35 -0.01 0.00 -0.00 0.00 0.00 178.15 178.54 1zza h ALA 23 N 1.15 -0.02 -0.52 0.16 0.00 -1.05 0.41 119.26 119.39 1zza h ALA 23 Ca 0.25 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1zza h ALA 23 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1zza h ALA 23 CO -0.01 -0.45 0.10 -0.84 0.00 0.00 0.00 179.25 178.04 1zza h ILE 24 N -0.13 1.23 -0.36 0.00 3.07 -0.83 0.24 117.51 120.73 1zza h ILE 24 Ca -0.00 -0.84 -0.04 0.00 1.55 0.00 0.00 64.86 65.52 1zza h ILE 24 Cb 0.12 0.72 -0.01 0.00 -0.27 0.00 0.00 36.82 37.38 1zza h ILE 24 CO 0.00 0.31 0.05 0.00 -1.05 0.00 0.00 178.15 177.47 1zza h ALA 25 N 1.34 0.48 -0.43 0.16 0.00 -0.71 0.37 119.26 120.46 1zza h ALA 25 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1zza h ALA 25 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1zza h ALA 25 CO 0.00 0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.62 1zza h ALA 26 N 0.90 0.56 -0.45 0.00 0.00 0.29 0.29 119.26 120.86 1zza h ALA 26 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1zza h ALA 26 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1zza h ALA 26 CO 0.01 0.17 0.26 1.25 0.00 0.00 0.00 179.25 180.94 1zza h LEU 27 N 0.56 0.56 -0.51 0.00 6.46 -0.28 0.43 115.31 122.53 1zza h LEU 27 Ca 0.14 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1zza h LEU 27 Cb 0.19 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 1zza h LEU 27 CO -0.01 0.47 0.32 1.23 -0.62 0.00 0.00 178.44 179.83 1zza h GLY 28 N 0.60 0.74 1.02 3.75 0.00 0.14 0.55 103.07 109.86 1zza h GLY 28 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1zza h GLY 28 CO -0.03 0.29 0.20 0.00 0.00 0.00 0.00 176.54 177.00 1zza h ALA 29 N 1.16 0.83 -0.84 3.60 0.00 0.12 0.30 119.26 124.43 1zza h ALA 29 Ca 0.19 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1zza h ALA 29 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1zza h ALA 29 CO -0.04 0.50 0.52 -0.07 0.00 0.00 0.00 179.25 180.16 1zza h LEU 30 N 0.91 1.00 -0.07 0.00 3.38 0.40 0.43 115.31 121.35 1zza h LEU 30 Ca 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1zza h LEU 30 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1zza h LEU 30 CO -0.01 0.76 -0.07 0.40 0.09 0.00 0.00 178.44 179.61 1zza h ILE 31 N 1.15 1.37 -0.68 1.22 2.04 -0.44 0.24 117.51 122.40 1zza h ILE 31 Ca 0.30 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1zza h ILE 31 Cb -0.07 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1zza h ILE 31 CO -0.06 0.34 0.43 0.25 0.00 0.00 0.00 178.15 179.11 1zza h LEU 32 N -0.25 0.71 0.04 1.44 6.46 -0.08 0.42 115.31 124.05 1zza h LEU 32 Ca 0.01 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1zza h LEU 32 Cb 0.58 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1zza h LEU 32 CO 0.02 0.50 -0.02 1.23 -0.62 0.00 0.00 178.44 179.55 1zza h GLY 33 N 0.85 -0.05 1.02 3.75 0.00 -0.13 0.48 103.07 108.99 1zza h GLY 33 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1zza h GLY 33 CO -0.09 -0.02 0.59 0.00 0.00 0.00 0.00 176.54 177.02 1zza h TRP 35 N 1.29 0.81 0.00 0.00 -0.00 -0.07 -3.46 115.95 114.52 1zza h TRP 35 Ca 0.34 -0.31 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1zza h TRP 35 Cb -0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 28.92 1zza h TRP 35 CO 0.00 1.08 0.00 0.00 -0.00 0.00 0.00 178.44 179.52 1zza n TYR 37 N 0.00 0.00 1.39 0.00 4.19 -1.26 -4.55 117.16 116.93 1zza n TYR 37 Ca 0.00 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.24 1zza n TYR 37 Cb 0.00 -0.31 0.17 0.00 0.49 0.00 0.00 39.34 39.69 1zza n TYR 37 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1zza n LEU 38 N -2.05 0.00 0.10 2.98 -0.00 -0.60 -3.89 117.00 113.55 1zza n LEU 38 Ca -0.07 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.09 1zza n LEU 38 Cb 0.49 0.00 0.66 0.00 -0.00 0.00 0.00 43.42 44.57 1zza n LEU 38 CO 0.19 0.00 1.14 0.08 -0.00 0.00 0.00 177.39 178.80 1zza h ARG 39 N 0.00 0.02 0.00 1.47 0.11 -1.80 -3.45 114.38 110.73 1zza h ARG 39 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1zza h ARG 39 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1zza h ARG 39 CO 0.00 0.01 0.00 1.28 0.10 0.00 0.00 179.97 181.36 1zza n LEU 40 N -4.45 0.00 0.00 0.08 7.99 -1.25 -4.75 117.00 114.62 1zza n LEU 40 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1zza n LEU 40 Cb 0.39 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1zza n LEU 40 CO 0.36 0.00 0.00 1.67 -1.51 0.00 0.00 177.39 177.91 1zza n GLN 41 N 0.00 0.00 0.00 3.23 0.00 -1.26 -3.75 117.38 115.60 1zza n GLN 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1zza n GLN 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 0.00 0.00 -0.12 3.69 0.63 -1.26 -4.99 116.66 114.62 1zza n ARG 42 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1zza n ARG 42 Cb 0.00 0.00 0.15 0.00 0.45 0.00 0.00 32.46 33.06 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 1.25 0.00 5.15 3.07 -2.02 -3.45 117.51 121.51 1zza h ILE 43 Ca 0.00 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.38 1zza h ILE 43 Cb 0.00 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 1zza h ILE 43 CO 0.00 0.36 0.00 -0.24 -1.05 0.00 0.00 178.15 177.22 1zza n SER 44 N -4.21 0.00 -4.54 2.16 2.88 -1.25 -4.82 113.62 103.85 1zza n SER 44 Ca 0.02 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 1zza n SER 44 Cb 0.31 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 0.84 0.00 -1.46 10.64 -1.26 -4.43 117.38 121.71 1zza n GLN 45 Ca 0.00 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1zza n GLN 45 Cb 0.00 -3.03 0.00 0.00 -0.86 0.00 0.00 30.24 26.35 1zza n GLN 45 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1zza n SER 46 N 14.68 0.00 -0.71 2.61 3.41 -1.26 -5.02 113.62 127.33 1zza n SER 46 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1zza n SER 46 Cb 0.43 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1zza n SER 46 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1zza n GLU 47 N -2.03 0.00 -2.28 4.33 4.71 -1.26 -4.05 120.64 120.06 1zza n GLU 47 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 1zza n GLU 47 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 1zza n GLU 47 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1zza s ASP 48 N -4.00 5.76 0.37 1.62 1.11 -1.26 -4.88 116.67 115.39 1zza s ASP 48 Ca 0.00 -1.55 0.04 0.00 0.18 0.00 0.00 52.55 51.22 1zza s ASP 48 Cb 0.00 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1zza s ASP 48 CO 0.00 -2.25 0.08 -1.83 1.18 0.00 0.00 175.17 172.35 1zza s GLU 49 N 5.80 1.79 -0.52 8.23 4.04 -1.26 -5.10 118.70 131.69 1zza s GLU 49 Ca 0.61 -2.04 0.06 0.00 0.04 0.00 0.00 54.97 53.64 1zza s GLU 49 Cb -0.01 -0.85 0.21 0.00 0.02 0.00 0.00 34.13 33.51 1zza s GLU 49 CO 0.04 -0.29 0.53 -1.91 -1.84 0.00 0.00 175.26 171.78 1zza n GLU 50 N -0.81 1.27 0.00 -4.83 2.13 -1.26 -3.31 120.64 113.83 1zza n GLU 50 Ca -0.05 -3.83 0.00 0.00 0.66 0.00 0.00 57.16 53.94 1zza n GLU 50 Cb 0.66 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.57 1zza n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zza n SER 51 N 1.72 0.00 -0.07 4.31 3.41 -1.24 -4.91 113.62 116.84 1zza n SER 51 Ca 0.25 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1zza n SER 51 Cb 0.45 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1zza n SER 51 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1zza n ILE 52 N -1.78 1.39 -0.06 -1.33 5.41 -1.26 -4.79 119.36 116.94 1zza n ILE 52 Ca 0.00 0.10 -0.13 0.00 1.00 0.00 0.00 62.75 63.72 1zza n ILE 52 Cb 0.00 -2.10 -0.14 0.00 -0.71 0.00 0.00 39.64 36.69 1zza n ILE 52 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1zza n VAL 53 N -4.19 1.54 -1.27 1.39 3.14 -1.26 -4.47 118.33 113.21 1zza n VAL 53 Ca -0.17 -0.75 -0.36 0.00 -2.96 0.00 0.00 64.34 60.09 1zza n VAL 53 Cb 0.48 -1.03 -0.02 0.00 -1.06 0.00 0.00 33.84 32.21 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 1.82 3.88 3.69 7.55 0.00 -1.21 -4.91 105.19 116.02 1zza n GLY 54 Ca -0.30 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 2.95 6.95 0.00 1.61 -1.08 -1.26 -3.57 116.67 122.27 1zza s ASP 55 Ca 0.57 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.76 1zza s ASP 55 Cb 0.15 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1zza s ASP 55 CO -0.04 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.01 1zza n GLY 56 N 3.32 1.37 2.44 2.66 0.00 -1.26 -4.37 105.19 109.34 1zza n GLY 56 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.25 -1.61 0.00 1.61 1.02 -1.26 -4.70 120.64 115.45 1zza n GLU 57 Ca 0.00 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 1zza n GLU 57 Cb 0.00 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 25.89 1zza n GLU 57 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1zza n THR 58 N -3.07 0.00 -2.88 2.62 -2.24 -1.23 -4.86 114.28 102.61 1zza n THR 58 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1zza n THR 58 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 3.60 0.00 -3.50 -0.78 5.02 -1.26 -4.31 118.16 116.94 1zza n LYS 59 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1zza n LYS 59 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1zza n LYS 59 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1zza s GLU 60 N 0.00 2.71 0.45 1.97 -6.30 -1.26 -4.92 118.70 111.36 1zza s GLU 60 Ca 0.00 -1.91 0.21 0.00 -2.50 0.00 0.00 54.97 50.77 1zza s GLU 60 Cb 0.00 -4.04 1.09 0.00 0.00 0.00 0.00 34.13 31.18 1zza s GLU 60 CO 0.00 -1.23 1.94 -1.00 0.02 0.00 0.00 175.26 174.99 1zza h PRO 61 N 8.32 0.00 0.00 4.30 0.13 -1.96 -3.46 132.00 139.34 1zza h PRO 61 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1zza h PRO 61 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1zza h PRO 61 CO 0.87 0.23 0.00 0.34 -0.23 0.00 0.00 178.00 179.21 1zza n PHE 62 N -3.81 0.00 0.10 1.56 7.35 -1.26 -3.49 117.46 117.91 1zza n PHE 62 Ca -0.02 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.70 1zza n PHE 62 Cb 0.33 0.00 0.41 0.00 0.35 0.00 0.00 39.48 40.56 1zza n PHE 62 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1zza h LEU 63 N 0.00 0.28 0.18 -2.13 8.10 -1.97 0.33 115.31 120.10 1zza h LEU 63 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1zza h LEU 63 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 1zza h LEU 63 CO 0.00 0.36 -0.09 0.25 -4.11 0.00 0.00 178.44 174.85 1zza h LEU 64 N 0.29 -0.21 -0.51 0.17 6.46 -1.96 0.24 115.31 119.79 1zza h LEU 64 Ca 0.07 -0.12 -0.16 0.00 -0.12 0.00 0.00 57.88 57.54 1zza h LEU 64 Cb 0.26 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1zza h LEU 64 CO 0.01 -0.00 -0.57 -0.37 -0.62 0.00 0.00 178.44 176.89 1zza h VAL 65 N -0.41 1.33 -0.19 1.05 -1.51 -1.82 0.10 116.25 114.79 1zza h VAL 65 Ca -0.03 -1.83 0.01 0.00 -1.23 0.00 0.00 66.70 63.62 1zza h VAL 65 Cb 0.32 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1zza h VAL 65 CO 0.04 0.57 0.10 -0.61 -1.23 0.00 0.00 177.57 176.44 1zza h GLN 66 N 0.41 0.21 -0.26 5.19 4.15 -0.19 0.32 115.11 124.95 1zza h GLN 66 Ca 0.00 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 1zza h GLN 66 Cb 1.11 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 1zza h GLN 66 CO 0.11 0.14 -0.23 1.88 -1.93 0.00 0.00 178.83 178.79 1zza h TYR 67 N 0.21 0.73 -0.27 3.99 0.05 -0.47 0.16 116.97 121.38 1zza h TYR 67 Ca 0.07 -0.21 0.01 0.00 0.05 0.00 0.00 58.73 58.65 1zza h TYR 67 Cb 0.01 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1zza h TYR 67 CO -0.09 0.92 0.18 0.77 -1.05 0.00 0.00 178.16 178.89 1zza h SER 68 N 0.32 0.28 0.09 3.88 0.02 -0.47 0.19 113.55 117.87 1zza h SER 68 Ca 0.04 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.70 1zza h SER 68 Cb 0.79 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1zza h SER 68 CO 0.06 0.20 -1.52 0.00 -1.14 0.00 0.00 176.83 174.43 1zza h ALA 69 N 1.84 0.26 -0.38 3.77 0.00 -0.21 -3.37 119.26 121.17 1zza h ALA 69 Ca 0.10 -1.19 -0.07 0.00 0.00 0.00 0.00 54.91 53.75 1zza h ALA 69 Cb 0.01 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1zza h ALA 69 CO -0.02 0.92 -0.08 1.57 0.00 0.00 0.00 179.25 181.64 1zza h LYS 70 N -0.37 0.65 -0.01 0.00 2.10 -0.52 -0.88 116.57 117.54 1zza h LYS 70 Ca -0.34 -0.18 0.02 0.00 -2.00 0.00 0.00 60.65 58.14 1zza h LYS 70 Cb 1.72 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.94 1zza h LYS 70 CO 0.00 0.72 -0.38 0.78 -2.00 0.00 0.00 179.45 178.57 1zza h GLY 71 N 0.95 -1.21 1.66 0.07 0.00 -0.79 1.75 103.07 105.50 1zza h GLY 71 Ca 0.11 0.65 -0.08 0.00 0.00 0.00 0.00 47.33 48.01 1zza h GLY 71 CO 0.03 -0.32 -0.22 -0.56 0.00 0.00 0.00 176.54 175.47 1zza h PRO 72 N -0.47 0.40 -0.14 4.80 0.13 -1.71 0.66 132.00 135.66 1zza h PRO 72 Ca 0.01 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 1zza h PRO 72 Cb 0.51 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1zza h PRO 72 CO -0.26 0.60 -0.03 0.00 -0.23 0.00 0.00 178.00 178.08 1zza h VAL 74 N -0.03 1.26 -0.83 0.00 2.07 0.27 -1.42 116.25 117.57 1zza h VAL 74 Ca 0.04 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.74 1zza h VAL 74 Cb 0.46 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1zza h VAL 74 CO 0.01 0.28 0.47 -0.08 0.02 0.00 0.00 177.57 178.28 1zza h GLU 75 N 0.15 0.76 0.44 1.57 4.22 -0.85 0.32 114.58 121.20 1zza h GLU 75 Ca 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1zza h GLU 75 Cb 0.42 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1zza h GLU 75 CO 0.01 0.50 -0.21 0.00 -2.18 0.00 0.00 179.01 177.13 1zza h ARG 76 N 0.78 -0.58 0.08 1.92 3.08 -0.89 -0.32 114.38 118.45 1zza h ARG 76 Ca 0.40 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.50 1zza h ARG 76 Cb 0.39 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1zza h ARG 76 CO -0.26 -0.33 -0.09 0.87 -1.07 0.00 0.00 179.97 179.10 1zza h LYS 77 N -0.71 -0.19 -0.38 0.04 1.79 -0.69 0.49 116.57 116.93 1zza h LYS 77 Ca -0.06 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1zza h LYS 77 Cb 0.52 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1zza h LYS 77 CO 0.10 -0.12 0.14 0.00 -1.08 0.00 0.00 179.45 178.49 1zza h ALA 78 N 0.72 0.44 -0.29 3.86 0.00 -0.37 0.22 119.26 123.84 1zza h ALA 78 Ca 0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1zza h ALA 78 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1zza h ALA 78 CO -0.04 -0.25 -0.45 1.57 0.00 0.00 0.00 179.25 180.08 1zza h LYS 79 N 0.30 0.75 -0.83 0.00 2.10 -0.85 0.21 116.57 118.25 1zza h LYS 79 Ca 0.17 -0.42 -0.03 0.00 -2.00 0.00 0.00 60.65 58.37 1zza h LYS 79 Cb 0.14 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.46 1zza h LYS 79 CO -0.17 1.05 0.39 1.25 -2.00 0.00 0.00 179.45 179.97 1zza h LEU 80 N 0.60 1.08 -0.29 7.07 5.85 0.54 -2.18 115.31 127.99 1zza h LEU 80 Ca 0.04 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.42 1zza h LEU 80 Cb 1.02 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1zza h LEU 80 CO 0.10 0.92 -0.80 -0.03 -0.34 0.00 0.00 178.44 178.28 1zza h MET 81 N 1.18 0.47 -5.46 1.25 4.05 -0.43 -3.49 114.93 112.51 1zza h MET 81 Ca 0.28 -0.42 -0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1zza h MET 81 Cb 0.13 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1zza h MET 81 CO -0.03 1.06 -0.15 2.41 0.23 0.00 0.00 176.91 180.43 1zza n THR 82 N -3.83 -9.80 1.34 -0.77 -1.04 0.71 -4.86 114.28 96.04 1zza n THR 82 Ca -0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1zza n THR 82 Cb 0.75 -6.69 0.00 0.00 -1.82 0.00 0.00 70.33 62.57 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 -1.63 0.77 -1.72 -2.82 -0.04 -1.26 -4.81 135.00 123.50 1zza n PRO 83 Ca -0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 1zza n PRO 83 Cb 0.51 -1.10 -0.08 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.35 -5.52 0.00 3.54 4.05 -1.26 -4.84 115.26 110.88 1zza n ASN 84 Ca 0.00 0.43 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1zza n ASN 84 Cb 0.05 -4.78 0.00 0.00 1.23 0.00 0.00 39.78 36.27 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zza n GLY 85 N -0.54 -0.07 0.00 8.20 0.00 -1.26 -5.01 105.19 106.51 1zza n GLY 85 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.62 0.00 0.00 1.61 -0.04 -1.26 -4.81 135.00 128.87 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 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.30 0.00 -0.01 0.54 4.71 -1.26 -2.81 120.64 121.51 1zza n GLU 87 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.25 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 1.55 0.09 0.00 0.00 177.13 178.77 1zza n VAL 88 N 0.00 0.00 -3.73 2.62 3.14 -1.26 -4.89 118.33 114.21 1zza n VAL 88 Ca 0.00 -0.43 -0.23 0.00 -2.96 0.00 0.00 64.34 60.72 1zza n VAL 88 Cb 0.00 0.10 0.03 0.00 -1.06 0.00 0.00 33.84 32.91 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 -2.14 -2.02 0.00 1.45 8.25 -1.12 -5.24 115.22 114.40 1zza n HIS 89 Ca -0.03 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1zza n HIS 89 Cb 0.50 -4.36 0.00 0.00 1.12 0.00 0.00 29.99 27.25 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39