#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 3.08 -4.82 1.61 3.41 -1.26 -4.63 113.62 111.02 1zza n SER 2 Ca 0.00 -1.89 -0.22 0.00 -0.26 0.00 0.00 58.87 56.50 1zza n SER 2 Cb 0.00 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1zza n SER 2 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1zza s MET 3 N -1.25 2.82 -0.17 4.33 -1.94 -1.26 -5.00 119.30 116.84 1zza s MET 3 Ca 0.31 -1.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1zza s MET 3 Cb 0.18 -2.51 0.26 0.00 2.01 0.00 0.00 34.83 34.77 1zza s MET 3 CO 0.25 0.31 1.32 -1.13 -0.01 0.00 0.00 175.02 175.76 1zza n SER 4 N -1.22 3.25 -0.28 3.03 3.41 -1.26 -4.46 113.62 116.10 1zza n SER 4 Ca -0.06 -2.60 0.05 0.00 -0.26 0.00 0.00 58.87 56.00 1zza n SER 4 Cb 0.59 -0.63 0.19 0.00 -0.26 0.00 0.00 64.21 64.10 1zza n SER 4 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1zza h ILE 5 N 0.48 0.77 -5.98 -1.33 3.07 -1.98 -3.46 117.51 109.08 1zza h ILE 5 Ca 0.23 -0.21 -0.37 0.00 1.55 0.00 0.00 64.86 66.05 1zza h ILE 5 Cb 1.67 0.10 0.12 0.00 -0.27 0.00 0.00 36.82 38.45 1zza h ILE 5 CO 0.41 0.11 -0.91 0.23 -1.05 0.00 0.00 178.15 176.94 1zza n MET 6 N -4.87 -1.63 -0.03 0.16 2.81 -1.26 -4.85 117.12 107.45 1zza n MET 6 Ca 0.15 0.59 0.11 0.00 -1.81 0.00 0.00 57.70 56.74 1zza n MET 6 Cb 0.37 -4.69 0.52 0.00 -0.71 0.00 0.00 33.22 28.71 1zza n MET 6 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1zza h ASP 7 N -1.64 0.32 -6.40 7.83 3.32 -1.88 -3.46 116.42 114.51 1zza h ASP 7 Ca -0.65 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 55.92 1zza h ASP 7 Cb 1.34 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 1zza h ASP 7 CO 0.47 0.20 -0.84 1.57 -1.72 0.00 0.00 179.24 178.92 1zza n HIS 8 N -4.47 -1.84 0.03 4.55 -0.00 -1.26 -4.57 115.22 107.66 1zza n HIS 8 Ca 0.07 0.80 0.00 0.00 0.46 0.00 0.00 57.72 59.06 1zza n HIS 8 Cb 0.31 -3.84 0.00 0.00 -0.12 0.00 0.00 29.99 26.34 1zza n HIS 8 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1zza n SER 9 N -2.93 -0.47 -4.70 0.26 7.64 -1.26 -5.04 113.62 107.11 1zza n SER 9 Ca -0.20 0.40 -0.29 0.00 1.01 0.00 0.00 58.87 59.79 1zza n SER 9 Cb 0.63 0.75 0.15 0.00 -1.01 0.00 0.00 64.21 64.74 1zza n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1zza s PRO 10 N -1.70 0.79 0.52 1.43 0.04 -1.26 -4.80 135.00 130.01 1zza s PRO 10 Ca 0.00 0.32 0.16 0.00 0.04 0.00 0.00 61.00 61.52 1zza s PRO 10 Cb 0.00 -1.80 1.26 0.00 0.04 0.00 0.00 34.50 34.00 1zza s PRO 10 CO 0.00 -2.44 2.14 0.00 0.04 0.00 0.00 177.00 176.74 1zza h THR 11 N -1.68 1.00 -0.57 1.26 1.03 -2.00 -1.22 112.91 110.72 1zza h THR 11 Ca -0.52 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 1zza h THR 11 Cb 1.33 0.98 -0.03 0.00 -1.07 0.00 0.00 68.15 69.36 1zza h THR 11 CO 0.59 0.00 0.37 0.71 -0.01 0.00 0.00 175.52 177.19 1zza h THR 12 N 0.02 1.15 0.06 0.00 1.35 -1.98 0.42 112.91 113.93 1zza h THR 12 Ca 0.01 -0.28 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1zza h THR 12 Cb 0.03 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 1zza h THR 12 CO -0.00 0.14 -0.03 1.23 -0.25 0.00 0.00 175.52 176.62 1zza h GLY 13 N 0.78 -0.08 0.87 5.82 0.00 -1.58 -0.45 103.07 108.42 1zza h GLY 13 Ca 0.21 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.64 1zza h GLY 13 CO -0.04 -0.03 0.56 -2.08 0.00 0.00 0.00 176.54 174.95 1zza h VAL 14 N -0.77 1.04 -0.15 4.60 2.07 -1.12 0.16 116.25 122.07 1zza h VAL 14 Ca -0.01 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.00 1zza h VAL 14 Cb 0.62 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1zza h VAL 14 CO 0.01 0.17 -0.68 0.58 0.02 0.00 0.00 177.57 177.68 1zza h VAL 15 N 0.94 1.32 0.02 2.57 2.07 -0.18 -1.25 116.25 121.74 1zza h VAL 15 Ca 0.38 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1zza h VAL 15 Cb 0.25 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1zza h VAL 15 CO -0.14 0.61 -0.01 0.74 0.02 0.00 0.00 177.57 178.78 1zza h THR 16 N 0.45 1.06 -0.45 2.57 2.02 0.12 -0.33 112.91 118.35 1zza h THR 16 Ca -0.02 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 1zza h THR 16 Cb 1.27 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1zza h THR 16 CO 0.13 0.06 -0.09 -0.37 0.37 0.00 0.00 175.52 175.62 1zza h VAL 17 N -0.14 1.27 -0.02 3.16 -1.51 -1.02 -1.40 116.25 116.59 1zza h VAL 17 Ca -0.00 -1.20 -0.08 0.00 -1.23 0.00 0.00 66.70 64.19 1zza h VAL 17 Cb 0.13 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1zza h VAL 17 CO 0.01 0.41 -0.38 0.16 -1.23 0.00 0.00 177.57 176.54 1zza h ILE 18 N 0.69 1.28 0.12 7.19 -0.00 -1.16 0.37 117.51 126.00 1zza h ILE 18 Ca 0.12 -1.32 -0.01 0.00 -0.00 0.00 0.00 64.86 63.65 1zza h ILE 18 Cb 0.63 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.13 1zza h ILE 18 CO 0.04 0.38 -0.06 0.58 -0.00 0.00 0.00 178.15 179.09 1zza h VAL 19 N 0.04 1.06 -0.57 0.16 2.07 -0.82 0.47 116.25 118.66 1zza h VAL 19 Ca 0.00 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1zza h VAL 19 Cb 0.68 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1zza h VAL 19 CO 0.05 0.21 0.13 0.16 0.02 0.00 0.00 177.57 178.15 1zza h ILE 20 N -0.62 1.23 -0.12 4.57 3.07 -1.12 0.15 117.51 124.69 1zza h ILE 20 Ca -0.02 -0.85 -0.01 0.00 1.55 0.00 0.00 64.86 65.53 1zza h ILE 20 Cb 0.48 0.65 -0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1zza h ILE 20 CO 0.03 0.32 0.02 -0.07 -1.05 0.00 0.00 178.15 177.40 1zza h LEU 21 N 0.85 0.18 -0.66 0.16 3.38 -0.18 0.29 115.31 119.33 1zza h LEU 21 Ca 0.18 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1zza h LEU 21 Cb 0.31 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1zza h LEU 21 CO -0.00 0.38 0.42 0.40 0.09 0.00 0.00 178.44 179.73 1zza h ILE 22 N -0.02 1.12 -0.30 1.22 1.08 0.31 0.27 117.51 121.19 1zza h ILE 22 Ca 0.04 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1zza h ILE 22 Cb 0.27 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1zza h ILE 22 CO 0.00 0.15 0.16 0.00 -0.69 0.00 0.00 178.15 177.77 1zza h ALA 23 N 1.27 0.38 -0.46 1.87 0.00 -0.45 0.39 119.26 122.26 1zza h ALA 23 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zza h ALA 23 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zza h ALA 23 CO -0.08 -0.08 0.31 0.82 0.00 0.00 0.00 179.25 180.21 1zza h ILE 24 N 0.36 1.12 -0.42 0.00 1.08 0.23 0.29 117.51 120.18 1zza h ILE 24 Ca 0.10 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1zza h ILE 24 Cb 0.08 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1zza h ILE 24 CO -0.02 0.11 0.23 0.00 -0.69 0.00 0.00 178.15 177.78 1zza h ALA 25 N 1.17 0.53 -0.49 1.87 0.00 -0.08 0.35 119.26 122.61 1zza h ALA 25 Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 25 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1zza h ALA 25 CO -0.04 0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.57 1zza h ALA 26 N 1.08 0.62 -0.36 0.00 0.00 0.28 0.28 119.26 121.16 1zza h ALA 26 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 26 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zza h ALA 26 CO -0.02 0.10 0.19 1.25 0.00 0.00 0.00 179.25 180.76 1zza h LEU 27 N 0.65 0.46 -0.63 0.00 6.46 0.00 0.31 115.31 122.56 1zza h LEU 27 Ca 0.18 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1zza h LEU 27 Cb -0.02 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1zza h LEU 27 CO -0.03 0.44 0.38 1.23 -0.62 0.00 0.00 178.44 179.83 1zza h GLY 28 N 0.45 0.90 0.89 3.75 0.00 0.23 0.14 103.07 109.44 1zza h GLY 28 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1zza h GLY 28 CO -0.02 0.23 0.08 0.00 0.00 0.00 0.00 176.54 176.83 1zza h ALA 29 N 1.28 0.36 -0.90 3.60 0.00 0.07 0.29 119.26 123.96 1zza h ALA 29 Ca 0.26 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1zza h ALA 29 Cb 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1zza h ALA 29 CO -0.11 0.00 0.56 -0.07 0.00 0.00 0.00 179.25 179.63 1zza h LEU 30 N 0.28 0.88 -0.18 0.00 3.38 0.22 0.18 115.31 120.06 1zza h LEU 30 Ca 0.09 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1zza h LEU 30 Cb 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1zza h LEU 30 CO -0.00 0.55 -0.22 0.40 0.09 0.00 0.00 178.44 179.26 1zza h ILE 31 N 1.01 1.34 -0.23 1.22 1.08 -0.36 0.32 117.51 121.89 1zza h ILE 31 Ca 0.40 -1.41 0.02 0.00 -0.39 0.00 0.00 64.86 63.48 1zza h ILE 31 Cb 0.20 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1zza h ILE 31 CO -0.18 0.43 0.08 0.25 -0.69 0.00 0.00 178.15 178.03 1zza h LEU 32 N 0.13 0.09 -0.42 1.44 5.85 0.28 0.99 115.31 123.67 1zza h LEU 32 Ca 0.02 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1zza h LEU 32 Cb 0.78 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1zza h LEU 32 CO 0.05 0.08 -0.16 1.23 -0.34 0.00 0.00 178.44 179.30 1zza h GLY 33 N 0.18 0.92 1.02 3.75 0.00 -0.67 0.36 103.07 108.64 1zza h GLY 33 Ca 0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1zza h GLY 33 CO -0.10 0.73 0.17 0.00 0.00 0.00 0.00 176.54 177.34 1zza h TRP 35 N 0.92 0.34 -3.35 0.00 5.08 -0.77 -3.43 115.95 114.73 1zza h TRP 35 Ca 0.20 -0.25 -0.60 0.00 1.08 0.00 0.00 58.89 59.32 1zza h TRP 35 Cb 0.33 -0.01 -0.40 0.00 -3.00 0.00 0.00 29.16 26.08 1zza h TRP 35 CO 0.02 1.30 -0.75 0.00 -1.28 0.00 0.00 178.44 177.73 1zza h TYR 37 N 7.96 0.70 0.00 0.00 3.20 -1.76 0.27 116.97 127.34 1zza h TYR 37 Ca -0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1zza h TYR 37 Cb 1.03 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1zza h TYR 37 CO 0.40 0.18 0.00 1.47 -1.64 0.00 0.00 178.16 178.57 1zza n LEU 38 N -4.88 0.11 -4.35 2.82 -0.00 -1.26 -4.89 117.00 104.54 1zza n LEU 38 Ca 0.15 0.52 -0.38 0.00 -0.00 0.00 0.00 56.01 56.30 1zza n LEU 38 Cb 0.39 -0.49 -0.05 0.00 -0.00 0.00 0.00 43.42 43.26 1zza n LEU 38 CO 0.22 -0.18 -0.12 0.54 -0.00 0.00 0.00 177.39 177.85 1zza n ARG 39 N -1.61 -2.03 -4.09 1.47 1.74 0.94 -0.69 116.66 112.40 1zza n ARG 39 Ca 0.05 0.26 -0.30 0.00 -0.77 0.00 0.00 57.85 57.09 1zza n ARG 39 Cb 0.26 -4.82 -0.03 0.00 -1.02 0.00 0.00 32.46 26.84 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1zza n LEU 40 N -4.27 -1.91 0.00 0.55 4.32 -1.26 -4.76 117.00 109.67 1zza n LEU 40 Ca 0.05 -1.04 0.07 0.00 -0.02 0.00 0.00 56.01 55.07 1zza n LEU 40 Cb 0.50 -2.10 0.43 0.00 -1.62 0.00 0.00 43.42 40.62 1zza n LEU 40 CO 0.90 0.39 0.66 0.00 -1.22 0.00 0.00 177.39 178.12 1zza n GLN 41 N -4.42 0.42 -0.05 3.23 6.02 0.13 0.05 117.38 122.77 1zza n GLN 41 Ca -0.19 0.03 -0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1zza n GLN 41 Cb 0.63 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.38 1zza n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1zza h ARG 42 N 0.00 0.00 0.00 -1.09 9.65 -1.87 -3.42 114.38 117.65 1zza h ARG 42 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 1zza h ARG 42 Cb 0.02 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 1zza h ARG 42 CO 0.00 0.00 -2.22 0.44 2.80 0.00 0.00 179.97 180.99 1zza n ILE 43 N -4.76 1.23 0.00 1.20 -5.35 -1.21 -4.99 119.36 105.48 1zza n ILE 43 Ca -0.00 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1zza n ILE 43 Cb 0.01 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 36.76 1zza n ILE 43 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1zza n SER 44 N -3.06 0.00 -2.36 7.28 2.88 0.11 -4.69 113.62 113.78 1zza n SER 44 Ca -0.37 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.14 1zza n SER 44 Cb 0.93 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.41 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 0.52 -1.99 -1.46 10.64 -1.26 -5.03 117.38 118.80 1zza n GLN 45 Ca 0.00 -1.10 -0.03 0.00 -1.83 0.00 0.00 57.00 54.04 1zza n GLN 45 Cb 0.00 1.44 0.04 0.00 -0.86 0.00 0.00 30.24 30.86 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1zza n SER 46 N -1.14 -0.65 -4.97 2.61 7.64 -1.26 -5.13 113.62 110.71 1zza n SER 46 Ca -0.03 -2.10 -0.21 0.00 1.01 0.00 0.00 58.87 57.55 1zza n SER 46 Cb 0.37 0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.44 3.29 0.02 1.43 8.01 -1.26 -5.04 118.70 124.72 1zza s GLU 47 Ca 0.11 -0.79 -0.27 0.00 0.01 0.00 0.00 54.97 54.02 1zza s GLU 47 Cb 0.27 -2.82 -0.16 0.00 -4.31 0.00 0.00 34.13 27.11 1zza s GLU 47 CO -0.08 0.21 1.26 0.22 0.01 0.00 0.00 175.26 176.88 1zza h ASP 48 N 0.96 -0.63 0.00 -0.19 3.58 -2.07 -3.45 116.42 114.62 1zza h ASP 48 Ca -0.49 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1zza h ASP 48 Cb 1.24 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1zza h ASP 48 CO 0.58 -0.29 0.00 1.21 -2.88 0.00 0.00 179.24 177.85 1zza n GLU 49 N -5.32 0.00 -3.76 0.28 0.00 -1.26 -4.54 120.64 106.03 1zza n GLU 49 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.83 1zza n GLU 49 Cb 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 31.44 31.60 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 0.41 0.34 5.31 2.56 -1.26 -4.99 118.70 121.07 1zza s GLU 50 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.14 1zza s GLU 50 Cb 0.00 -0.82 0.00 0.00 2.00 0.00 0.00 34.13 35.31 1zza s GLU 50 CO 0.00 -0.30 0.00 -1.13 -0.56 0.00 0.00 175.26 173.27 1zza n SER 51 N 5.10 -2.60 0.00 -1.70 3.41 -1.26 -4.89 113.62 111.68 1zza n SER 51 Ca -0.08 0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 59.15 1zza n SER 51 Cb 0.50 2.54 -0.01 0.00 -0.26 0.00 0.00 64.21 66.98 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1zza h ILE 52 N 0.00 0.05 -0.18 -1.33 2.04 -1.98 -3.38 117.51 112.74 1zza h ILE 52 Ca 0.00 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1zza h ILE 52 Cb 0.00 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1zza h ILE 52 CO 0.00 0.02 -0.02 1.62 0.00 0.00 0.00 178.15 179.76 1zza h VAL 53 N -1.03 1.27 -2.51 1.67 3.04 -1.96 -3.47 116.25 113.26 1zza h VAL 53 Ca -0.01 -0.95 -0.35 0.00 -1.01 0.00 0.00 66.70 64.38 1zza h VAL 53 Cb 0.12 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1zza h VAL 53 CO 0.02 0.28 -0.45 0.61 -1.01 0.00 0.00 177.57 177.03 1zza n GLY 54 N -0.21 -0.35 2.95 3.17 0.00 -1.26 -3.85 105.19 105.65 1zza n GLY 54 Ca -0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1zza n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zza n ASP 55 N -1.33 -7.44 0.00 1.61 8.00 -1.26 -4.78 116.55 111.35 1zza n ASP 55 Ca -0.20 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1zza n ASP 55 Cb 0.66 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zza n GLY 56 N 0.25 -0.43 0.13 0.44 0.00 -1.23 -3.05 105.19 101.30 1zza n GLY 56 Ca 0.03 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.18 0.59 -4.74 1.61 2.13 -1.26 -4.75 120.64 112.05 1zza n GLU 57 Ca 0.00 0.35 -0.33 0.00 0.66 0.00 0.00 57.16 57.84 1zza n GLU 57 Cb 0.00 -1.58 -0.07 0.00 0.27 0.00 0.00 31.44 30.06 1zza n GLU 57 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1zza s THR 58 N -2.47 1.11 0.00 6.31 -4.23 -1.26 -5.04 115.64 110.06 1zza s THR 58 Ca -0.35 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.18 1zza s THR 58 Cb 0.11 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1zza s THR 58 CO 0.54 0.00 0.00 1.17 -0.54 0.00 0.00 174.62 175.79 1zza n LYS 59 N -1.31 0.00 -1.93 3.99 4.81 -1.26 -4.41 118.16 118.05 1zza n LYS 59 Ca -0.20 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.85 1zza n LYS 59 Cb 0.67 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.73 1zza n LYS 59 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1zza s GLU 60 N 0.00 3.61 0.37 1.64 -6.30 -1.26 -4.84 118.70 111.92 1zza s GLU 60 Ca 0.00 2.20 0.07 0.00 -2.50 0.00 0.00 54.97 54.74 1zza s GLU 60 Cb 0.00 -2.53 0.74 0.00 0.00 0.00 0.00 34.13 32.34 1zza s GLU 60 CO 0.00 -0.80 1.92 -1.00 0.02 0.00 0.00 175.26 175.40 1zza h PRO 61 N 2.12 0.37 0.00 4.30 0.13 -1.86 -3.27 132.00 133.79 1zza h PRO 61 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1zza h PRO 61 Cb 1.27 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1zza h PRO 61 CO 0.60 0.43 0.00 0.34 -0.23 0.00 0.00 178.00 179.14 1zza n PHE 62 N -4.30 0.00 -0.03 1.56 7.35 -1.26 0.13 117.46 120.91 1zza n PHE 62 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.80 1zza n PHE 62 Cb 0.23 0.00 0.51 0.00 0.35 0.00 0.00 39.48 40.57 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 0.34 0.66 -2.13 3.38 -1.83 0.26 115.31 115.99 1zza h LEU 63 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1zza h LEU 63 Cb 0.00 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1zza h LEU 63 CO 0.00 0.22 -0.32 0.25 0.09 0.00 0.00 178.44 178.68 1zza h LEU 64 N 0.38 -0.75 -0.73 1.67 6.46 0.89 0.14 115.31 123.36 1zza h LEU 64 Ca 0.22 0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.87 1zza h LEU 64 Cb 0.39 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1zza h LEU 64 CO -0.06 -0.54 -0.58 -0.37 -0.62 0.00 0.00 178.44 176.28 1zza h VAL 65 N -0.89 1.39 -0.44 1.05 -1.51 -1.62 0.21 116.25 114.44 1zza h VAL 65 Ca -0.09 -1.93 -0.00 0.00 -1.23 0.00 0.00 66.70 63.45 1zza h VAL 65 Cb 0.68 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 1zza h VAL 65 CO 0.15 0.57 0.27 1.56 -1.23 0.00 0.00 177.57 178.89 1zza h GLN 66 N 0.13 0.59 -0.09 5.19 4.20 -0.28 0.31 115.11 125.16 1zza h GLN 66 Ca -0.00 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 1zza h GLN 66 Cb 1.05 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.72 1zza h GLN 66 CO 0.09 0.42 -0.75 -0.92 -0.67 0.00 0.00 178.83 177.00 1zza h TYR 67 N 0.58 0.92 -0.07 2.96 5.03 -0.64 -1.20 116.97 124.56 1zza h TYR 67 Ca 0.16 -0.44 0.02 0.00 2.58 0.00 0.00 58.73 61.05 1zza h TYR 67 Cb -0.02 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 1zza h TYR 67 CO -0.04 1.26 0.06 0.77 -1.32 0.00 0.00 178.16 178.89 1zza h SER 68 N 0.33 0.00 0.03 -2.11 0.02 -0.68 0.15 113.55 111.29 1zza h SER 68 Ca -0.07 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.51 1zza h SER 68 Cb 1.40 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.89 1zza h SER 68 CO 0.15 0.00 -2.16 0.00 -1.14 0.00 0.00 176.83 173.69 1zza n ALA 69 N -2.48 1.12 -0.11 3.77 0.00 0.07 -4.35 120.51 118.53 1zza n ALA 69 Ca -0.01 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1zza n ALA 69 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 1zza n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1zza h LYS 70 N -0.38 0.92 -0.35 0.00 1.57 -1.13 -0.93 116.57 116.27 1zza h LYS 70 Ca -0.53 -0.50 0.04 0.00 -1.87 0.00 0.00 60.65 57.79 1zza h LYS 70 Cb 1.77 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 34.04 1zza h LYS 70 CO -0.14 1.16 -0.50 0.78 -0.57 0.00 0.00 179.45 180.18 1zza h GLY 71 N 0.77 -1.12 0.94 3.86 0.00 -0.90 1.13 103.07 107.75 1zza h GLY 71 Ca 0.05 0.73 -0.08 0.00 0.00 0.00 0.00 47.33 48.03 1zza h GLY 71 CO 0.10 -0.19 -0.11 -0.56 0.00 0.00 0.00 176.54 175.78 1zza h PRO 72 N -0.37 0.68 -0.68 4.80 0.13 -1.75 0.14 132.00 134.96 1zza h PRO 72 Ca 0.06 -0.27 0.10 0.00 -0.87 0.00 0.00 66.00 65.02 1zza h PRO 72 Cb 0.54 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.56 1zza h PRO 72 CO -0.52 0.86 0.29 0.00 -0.23 0.00 0.00 178.00 178.40 1zza h VAL 74 N 0.49 1.41 -0.83 0.00 2.07 0.14 -1.02 116.25 118.51 1zza h VAL 74 Ca 0.34 -1.65 0.12 0.00 0.82 0.00 0.00 66.70 66.34 1zza h VAL 74 Cb 0.42 2.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 1zza h VAL 74 CO -0.31 0.47 0.45 -0.08 0.02 0.00 0.00 177.57 178.12 1zza h GLU 75 N -0.14 0.67 -0.09 1.57 4.22 0.02 0.47 114.58 121.30 1zza h GLU 75 Ca -0.01 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 1zza h GLU 75 Cb 0.91 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1zza h GLU 75 CO 0.06 0.44 -0.31 0.00 -2.18 0.00 0.00 179.01 177.02 1zza h ARG 76 N 0.69 0.37 0.00 1.92 -0.00 0.01 -1.22 114.38 116.16 1zza h ARG 76 Ca 0.43 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.98 59.56 1zza h ARG 76 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.52 1zza h ARG 76 CO -0.31 0.91 -0.32 1.57 0.00 0.00 0.00 179.97 181.82 1zza h LYS 77 N -0.09 0.00 0.05 0.04 5.09 -0.62 -0.00 116.57 121.04 1zza h LYS 77 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.72 1zza h LYS 77 Cb 0.95 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.28 1zza h LYS 77 CO 0.07 0.32 -0.03 0.00 -2.09 0.00 0.00 179.45 177.72 1zza h ALA 78 N 1.68 -0.07 0.00 0.07 0.00 -0.05 -0.24 119.26 120.64 1zza h ALA 78 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1zza h ALA 78 Cb 0.61 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1zza h ALA 78 CO 0.04 -0.15 -0.22 1.57 0.00 0.00 0.00 179.25 180.49 1zza h LYS 79 N -0.85 0.00 0.10 0.00 2.10 -1.15 0.48 116.57 117.25 1zza h LYS 79 Ca -0.01 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.31 1zza h LYS 79 Cb 0.65 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 1zza h LYS 79 CO 0.01 0.22 -1.77 1.25 -2.00 0.00 0.00 179.45 177.16 1zza h LEU 80 N 0.00 0.34 0.00 7.07 5.85 -1.05 -3.39 115.31 124.13 1zza h LEU 80 Ca -0.00 -0.63 -0.18 0.00 0.84 0.00 0.00 57.88 57.92 1zza h LEU 80 Cb 0.41 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1zza h LEU 80 CO 0.03 1.55 -1.67 0.80 -0.34 0.00 0.00 178.44 178.81 1zza n MET 81 N -3.39 0.57 -3.24 1.25 1.56 -0.11 -4.86 117.12 108.89 1zza n MET 81 Ca -0.23 0.06 -0.24 0.00 -0.27 0.00 0.00 57.70 57.01 1zza n MET 81 Cb 1.05 -1.24 -0.07 0.00 2.15 0.00 0.00 33.22 35.12 1zza n MET 81 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1zza n THR 82 N -2.78 0.61 0.28 1.12 -2.24 0.13 -4.90 114.28 106.49 1zza n THR 82 Ca -0.20 -4.58 0.14 0.00 -2.27 0.00 0.00 64.05 57.14 1zza n THR 82 Cb 0.73 -1.75 0.79 0.00 -2.10 0.00 0.00 70.33 68.00 1zza n THR 82 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1zza h PRO 83 N 3.85 0.00 0.00 -0.78 0.13 -0.75 -3.41 132.00 131.04 1zza h PRO 83 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1zza h PRO 83 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1zza h PRO 83 CO 0.61 0.09 0.00 -1.71 -0.23 0.00 0.00 178.00 176.76 1zza n ASN 84 N -3.55 0.00 -3.47 1.44 5.15 -1.26 -4.31 115.26 109.26 1zza n ASN 84 Ca -0.02 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.68 1zza n ASN 84 Cb 0.21 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.35 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1zza s GLY 85 N 0.00 1.09 0.49 8.20 0.00 -1.26 -4.96 107.32 110.88 1zza s GLY 85 Ca 0.00 -2.17 0.33 0.00 0.00 0.00 0.00 44.72 42.88 1zza s GLY 85 CO 0.00 2.04 2.01 -0.56 0.00 0.00 0.00 173.10 176.58 1zza h PRO 86 N 6.47 0.00 -0.86 2.90 0.13 -1.94 -1.98 132.00 136.72 1zza h PRO 86 Ca 0.13 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.36 1zza h PRO 86 Cb 0.94 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 1zza h PRO 86 CO 0.33 0.00 0.56 0.93 -0.23 0.00 0.00 178.00 179.59 1zza h GLU 87 N 0.00 0.79 0.00 0.86 3.07 -1.94 -2.28 114.58 115.07 1zza h GLU 87 Ca 0.00 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.65 1zza h GLU 87 Cb 0.05 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1zza h GLU 87 CO 0.00 0.52 -2.02 1.33 -1.40 0.00 0.00 179.01 177.45 1zza n VAL 88 N -4.53 0.72 -4.41 3.13 0.24 -0.78 -5.08 118.33 107.63 1zza n VAL 88 Ca 0.15 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1zza n VAL 88 Cb 0.34 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1zza n VAL 88 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1zza n HIS 89 N -2.55 -1.02 0.00 6.34 8.25 -0.86 -5.15 115.22 120.22 1zza n HIS 89 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1zza n HIS 89 Cb 0.83 0.19 0.00 0.00 1.12 0.00 0.00 29.99 32.13 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39