#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 -3.86 -4.57 1.61 2.88 -1.26 -4.09 113.62 104.33 1zza n SER 2 Ca 0.00 0.38 -0.16 0.00 -1.33 0.00 0.00 58.87 57.76 1zza n SER 2 Cb 0.00 -2.34 -0.08 0.00 -0.75 0.00 0.00 64.21 61.04 1zza n SER 2 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1zza s MET 3 N -0.72 1.61 0.00 -1.46 1.00 -1.26 -4.16 119.30 114.31 1zza s MET 3 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 55.69 55.74 1zza s MET 3 Cb -0.00 -4.90 0.00 0.00 0.00 0.00 0.00 34.83 29.93 1zza s MET 3 CO 0.24 -4.65 0.00 -1.13 0.00 0.00 0.00 175.02 169.49 1zza n SER 4 N 18.28 0.00 0.00 3.03 3.41 -1.26 -5.08 113.62 131.99 1zza n SER 4 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1zza n SER 4 Cb 0.45 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zza n ILE 5 N -1.20 0.00 -0.04 -1.33 -0.00 -1.26 -4.89 119.36 110.64 1zza n ILE 5 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.67 1zza n ILE 5 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.62 1zza n ILE 5 CO 0.00 0.00 0.00 0.24 -0.00 0.00 0.00 176.55 176.79 1zza h MET 6 N 0.00 -0.23 0.00 6.28 2.86 -1.94 -3.43 114.93 118.47 1zza h MET 6 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1zza h MET 6 Cb 0.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1zza h MET 6 CO 0.00 -0.15 0.00 -3.47 1.06 0.00 0.00 176.91 174.35 1zza n ASP 7 N -5.36 0.00 -2.79 1.22 2.03 -1.26 -4.57 116.55 105.82 1zza n ASP 7 Ca -0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.15 1zza n ASP 7 Cb 0.28 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.67 1zza n ASP 7 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1zza n HIS 8 N 0.00 -1.63 0.04 -0.67 -0.00 -1.26 0.23 115.22 111.93 1zza n HIS 8 Ca 0.00 0.17 -0.09 0.00 0.46 0.00 0.00 57.72 58.25 1zza n HIS 8 Cb 0.00 -2.53 -0.07 0.00 -0.12 0.00 0.00 29.99 27.27 1zza n HIS 8 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 1zza h SER 9 N -0.34 -0.17 -0.46 0.26 0.02 -1.90 -2.41 113.55 108.55 1zza h SER 9 Ca -0.30 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.23 1zza h SER 9 Cb 1.21 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1zza h SER 9 CO 0.36 0.41 -0.05 1.55 -1.14 0.00 0.00 176.83 177.96 1zza h PRO 10 N -0.93 0.91 0.05 3.45 0.13 -1.96 -1.65 132.00 132.00 1zza h PRO 10 Ca -0.02 -0.29 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1zza h PRO 10 Cb 0.49 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1zza h PRO 10 CO 0.03 0.93 -0.02 1.79 -0.23 0.00 0.00 178.00 180.50 1zza h THR 11 N 0.83 1.15 -0.45 1.56 1.35 -1.96 -0.91 112.91 114.47 1zza h THR 11 Ca 0.15 -0.67 0.02 0.00 -0.55 0.00 0.00 66.41 65.36 1zza h THR 11 Cb 0.56 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 1zza h THR 11 CO 0.03 0.17 0.30 0.74 -0.25 0.00 0.00 175.52 176.51 1zza h THR 12 N -0.36 1.07 0.58 6.82 2.02 -1.39 0.12 112.91 121.76 1zza h THR 12 Ca -0.01 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1zza h THR 12 Cb 0.33 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1zza h THR 12 CO 0.01 0.10 -0.28 1.23 0.37 0.00 0.00 175.52 176.95 1zza h GLY 13 N 0.55 -0.81 1.08 2.16 0.00 -1.05 0.17 103.07 105.16 1zza h GLY 13 Ca 0.18 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.88 1zza h GLY 13 CO -0.04 -0.29 0.44 -0.39 0.00 0.00 0.00 176.54 176.26 1zza h VAL 14 N -1.11 0.99 -0.20 4.60 -1.51 -1.01 -0.33 116.25 117.68 1zza h VAL 14 Ca -0.08 -0.22 -0.06 0.00 -1.23 0.00 0.00 66.70 65.11 1zza h VAL 14 Cb 0.59 0.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1zza h VAL 14 CO 0.13 0.12 -0.11 0.58 -1.23 0.00 0.00 177.57 177.06 1zza h VAL 15 N 0.65 1.31 0.02 7.19 2.07 -0.74 0.32 116.25 127.07 1zza h VAL 15 Ca 0.29 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1zza h VAL 15 Cb 0.31 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1zza h VAL 15 CO -0.09 0.36 -0.09 0.74 0.02 0.00 0.00 177.57 178.50 1zza h THR 16 N 0.11 0.77 -0.40 2.57 2.02 0.26 0.31 112.91 118.55 1zza h THR 16 Ca 0.04 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 1zza h THR 16 Cb 0.60 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1zza h THR 16 CO 0.03 0.00 -0.02 -0.37 0.37 0.00 0.00 175.52 175.53 1zza h VAL 17 N -0.17 1.22 -0.44 3.16 -1.51 -1.09 0.56 116.25 117.98 1zza h VAL 17 Ca 0.03 -0.92 -0.11 0.00 -1.23 0.00 0.00 66.70 64.46 1zza h VAL 17 Cb 0.20 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 1zza h VAL 17 CO -0.08 0.32 -0.17 0.40 -1.23 0.00 0.00 177.57 176.81 1zza h ILE 18 N 0.60 1.27 -0.37 7.19 1.08 -0.30 0.42 117.51 127.41 1zza h ILE 18 Ca 0.12 -1.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.24 1zza h ILE 18 Cb 0.41 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1zza h ILE 18 CO 0.02 0.45 0.06 0.58 -0.69 0.00 0.00 178.15 178.57 1zza h VAL 19 N 0.73 1.24 -0.26 1.67 2.07 -0.05 0.50 116.25 122.14 1zza h VAL 19 Ca 0.10 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1zza h VAL 19 Cb 0.73 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1zza h VAL 19 CO 0.06 0.28 0.12 0.40 0.02 0.00 0.00 177.57 178.45 1zza h ILE 20 N 0.46 1.15 -0.07 4.57 1.08 -0.70 0.33 117.51 124.33 1zza h ILE 20 Ca 0.11 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1zza h ILE 20 Cb 0.35 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1zza h ILE 20 CO 0.01 0.15 0.04 -0.07 -0.69 0.00 0.00 178.15 177.58 1zza h LEU 21 N 0.29 0.06 -0.69 1.44 3.38 0.07 0.31 115.31 120.17 1zza h LEU 21 Ca 0.09 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1zza h LEU 21 Cb 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1zza h LEU 21 CO -0.01 0.05 0.40 0.40 0.09 0.00 0.00 178.44 179.37 1zza h ILE 22 N 0.08 1.00 -0.35 1.22 1.08 0.29 0.16 117.51 120.99 1zza h ILE 22 Ca 0.03 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1zza h ILE 22 Cb -0.00 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 1zza h ILE 22 CO -0.01 0.14 0.16 0.00 -0.69 0.00 0.00 178.15 177.75 1zza h ALA 23 N 1.35 0.46 -0.11 1.87 0.00 0.28 0.33 119.26 123.43 1zza h ALA 23 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1zza h ALA 23 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1zza h ALA 23 CO -0.17 0.03 0.04 0.82 0.00 0.00 0.00 179.25 179.97 1zza h ILE 24 N 0.43 0.99 -0.61 0.00 2.04 0.40 0.33 117.51 121.09 1zza h ILE 24 Ca 0.12 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1zza h ILE 24 Cb 0.14 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1zza h ILE 24 CO -0.01 0.02 0.37 0.00 0.00 0.00 0.00 178.15 178.53 1zza h ALA 25 N 1.06 0.78 -0.56 1.87 0.00 -0.45 0.29 119.26 122.25 1zza h ALA 25 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zza h ALA 25 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1zza h ALA 25 CO -0.04 0.25 0.27 0.00 0.00 0.00 0.00 179.25 179.73 1zza h ALA 26 N 1.19 0.72 -0.27 0.00 0.00 0.10 0.20 119.26 121.20 1zza h ALA 26 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1zza h ALA 26 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1zza h ALA 26 CO -0.04 0.28 0.13 1.25 0.00 0.00 0.00 179.25 180.87 1zza h LEU 27 N 0.75 0.36 -0.32 0.00 6.46 0.20 0.30 115.31 123.06 1zza h LEU 27 Ca 0.19 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1zza h LEU 27 Cb 0.11 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1zza h LEU 27 CO -0.03 0.38 0.09 1.23 -0.62 0.00 0.00 178.44 179.49 1zza h GLY 28 N 0.31 0.38 0.99 3.75 0.00 0.01 0.23 103.07 108.74 1zza h GLY 28 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1zza h GLY 28 CO -0.01 0.01 0.32 0.00 0.00 0.00 0.00 176.54 176.86 1zza h ALA 29 N 1.22 0.71 -0.90 3.60 0.00 -0.24 0.27 119.26 123.92 1zza h ALA 29 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1zza h ALA 29 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1zza h ALA 29 CO -0.17 0.21 0.56 -0.07 0.00 0.00 0.00 179.25 179.79 1zza h LEU 30 N 0.75 1.06 -0.05 0.00 3.38 0.41 0.24 115.31 121.11 1zza h LEU 30 Ca 0.20 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1zza h LEU 30 Cb 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1zza h LEU 30 CO -0.03 0.80 -0.18 0.40 0.09 0.00 0.00 178.44 179.52 1zza h ILE 31 N 1.23 1.45 -0.43 1.22 2.04 0.01 -0.74 117.51 122.30 1zza h ILE 31 Ca 0.33 -1.60 0.04 0.00 1.00 0.00 0.00 64.86 64.62 1zza h ILE 31 Cb -0.09 2.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1zza h ILE 31 CO -0.06 0.44 0.21 0.25 0.00 0.00 0.00 178.15 178.99 1zza h LEU 32 N -0.34 0.30 0.48 1.44 5.85 -0.23 0.43 115.31 123.25 1zza h LEU 32 Ca -0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1zza h LEU 32 Cb 0.81 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1zza h LEU 32 CO 0.04 0.22 -0.23 1.23 -0.34 0.00 0.00 178.44 179.35 1zza h GLY 33 N 0.42 -0.67 0.57 3.75 0.00 -0.55 0.30 103.07 106.89 1zza h GLY 33 Ca 0.18 0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.87 1zza h GLY 33 CO -0.13 -0.24 0.64 0.00 0.00 0.00 0.00 176.54 176.80 1zza h TRP 35 N 1.06 -0.79 0.00 0.00 7.01 0.18 -3.44 115.95 119.96 1zza h TRP 35 Ca 0.47 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.46 1zza h TRP 35 Cb 0.38 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1zza h TRP 35 CO -0.00 -0.49 0.00 0.00 -2.79 0.00 0.00 178.44 175.15 1zza s TYR 37 N 0.00 2.59 0.00 0.00 1.51 -1.26 -4.98 117.35 115.21 1zza s TYR 37 Ca 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1zza s TYR 37 Cb 0.00 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1zza s TYR 37 CO 0.00 0.25 0.68 1.47 -1.11 0.00 0.00 175.55 176.84 1zza n LEU 38 N -1.18 1.83 -0.02 -1.29 -0.00 -1.26 -3.85 117.00 111.23 1zza n LEU 38 Ca -0.02 -0.82 -0.11 0.00 -0.00 0.00 0.00 56.01 55.05 1zza n LEU 38 Cb 0.65 -0.39 -0.14 0.00 -0.00 0.00 0.00 43.42 43.54 1zza n LEU 38 CO 0.46 0.34 -0.62 -2.11 -0.00 0.00 0.00 177.39 175.47 1zza n ARG 39 N 1.81 0.66 -2.92 1.47 1.85 -1.26 -4.45 116.66 113.82 1zza n ARG 39 Ca 0.00 0.28 -0.27 0.00 -1.00 0.00 0.00 57.85 56.86 1zza n ARG 39 Cb 0.17 -1.76 -0.04 0.00 -1.05 0.00 0.00 32.46 29.78 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1zza n LEU 40 N -3.12 4.35 0.00 2.89 4.77 -1.25 -4.86 117.00 119.78 1zza n LEU 40 Ca -0.21 -5.62 0.05 0.00 -0.03 0.00 0.00 56.01 50.20 1zza n LEU 40 Cb 1.06 -0.50 0.27 0.00 -2.33 0.00 0.00 43.42 41.92 1zza n LEU 40 CO 0.44 2.35 0.62 1.67 -1.33 0.00 0.00 177.39 181.14 1zza n GLN 41 N -0.24 0.14 0.00 3.23 -0.06 -1.26 -4.84 117.38 114.35 1zza n GLN 41 Ca 0.31 0.19 0.00 0.00 -2.00 0.00 0.00 57.00 55.50 1zza n GLN 41 Cb 0.42 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.10 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1zza n ARG 42 N -1.30 0.00 0.21 3.69 3.00 -1.26 -3.57 116.66 117.44 1zza n ARG 42 Ca 0.05 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.05 1zza n ARG 42 Cb 0.09 0.00 0.65 0.00 0.00 0.00 0.00 32.46 33.20 1zza n ARG 42 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1zza h ILE 43 N 0.00 0.00 -0.63 5.15 1.08 -1.88 -3.48 117.51 117.74 1zza h ILE 43 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1zza h ILE 43 Cb 0.00 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1zza h ILE 43 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1zza n SER 44 N -2.67 -1.90 0.00 1.72 2.88 -1.23 -4.87 113.62 107.55 1zza n SER 44 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1zza n SER 44 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.00 -2.37 -1.46 6.02 -1.26 -3.36 117.38 114.95 1zza n GLN 45 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1zza n GLN 45 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1zza n SER 46 N 6.73 -0.09 -4.34 1.08 7.64 -1.26 -5.10 113.62 118.27 1zza n SER 46 Ca 0.00 -2.10 -0.29 0.00 1.01 0.00 0.00 58.87 57.49 1zza n SER 46 Cb 0.00 0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.24 1.63 -0.01 1.43 8.01 -1.21 -5.02 118.70 122.29 1zza s GLU 47 Ca 0.17 -1.15 0.05 0.00 0.01 0.00 0.00 54.97 54.04 1zza s GLU 47 Cb 0.34 -1.89 0.08 0.00 -4.31 0.00 0.00 34.13 28.35 1zza s GLU 47 CO -0.09 0.48 1.03 -3.47 0.01 0.00 0.00 175.26 173.22 1zza n ASP 48 N 1.55 0.26 -3.31 -0.19 2.03 -1.26 -4.69 116.55 110.94 1zza n ASP 48 Ca -0.17 -2.06 -0.35 0.00 0.52 0.00 0.00 54.79 52.72 1zza n ASP 48 Cb 0.52 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 1zza n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zza n GLU 49 N -0.00 3.17 0.00 -0.67 4.71 -1.26 -4.53 120.64 122.06 1zza n GLU 49 Ca 0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 57.16 55.14 1zza n GLU 49 Cb 0.76 -2.74 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 1zza n GLU 49 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1zza n GLU 50 N 4.00 0.00 0.00 3.49 2.13 -1.26 -5.10 120.64 123.89 1zza n GLU 50 Ca 0.67 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1zza n GLU 50 Cb 0.22 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.93 1zza n GLU 50 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1zza n SER 51 N 0.00 0.00 -0.03 4.31 2.88 -1.26 -4.78 113.62 114.74 1zza n SER 51 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1zza n SER 51 Cb 0.00 0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 63.52 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 1.51 -0.00 2.46 2.04 -1.97 -3.14 117.51 118.40 1zza h ILE 52 Ca 0.00 -1.76 -0.17 0.00 1.00 0.00 0.00 64.86 63.93 1zza h ILE 52 Cb 0.00 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1zza h ILE 52 CO 0.00 0.48 -0.79 -0.37 0.00 0.00 0.00 178.15 177.47 1zza h VAL 53 N -0.45 1.55 -2.19 1.67 -1.51 -1.92 -3.31 116.25 110.09 1zza h VAL 53 Ca -0.02 -2.67 -0.76 0.00 -1.23 0.00 0.00 66.70 62.02 1zza h VAL 53 Cb 0.89 2.45 -0.30 0.00 -2.13 0.00 0.00 31.29 32.19 1zza h VAL 53 CO 0.04 0.77 0.71 0.61 -1.23 0.00 0.00 177.57 178.47 1zza n GLY 54 N 0.74 5.96 3.75 5.19 0.00 -1.24 -4.75 105.19 114.85 1zza n GLY 54 Ca -0.01 -2.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.00 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 -1.72 6.92 0.00 1.61 2.15 -1.19 -2.46 116.67 121.99 1zza s ASP 55 Ca 0.43 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.90 1zza s ASP 55 Cb 0.25 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1zza s ASP 55 CO -0.18 -0.45 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 1zza n GLY 56 N 1.53 0.68 3.27 2.66 0.00 -1.26 -4.71 105.19 107.36 1zza n GLY 56 Ca 0.02 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -6.42 0.00 1.61 -0.58 -1.26 -3.55 120.64 110.44 1zza n GLU 57 Ca 0.00 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 1zza n GLU 57 Cb 0.00 -5.57 0.00 0.00 -0.57 0.00 0.00 31.44 25.30 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1zza n THR 58 N -4.14 0.00 -3.91 2.62 -1.04 -1.03 -4.65 114.28 102.12 1zza n THR 58 Ca -0.18 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1zza n THR 58 Cb 0.62 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 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 0.00 0.84 -0.44 -2.82 1.02 -1.23 -4.55 119.74 112.56 1zza s LYS 59 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 1zza s LYS 59 Cb 0.00 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 1zza s LYS 59 CO 0.00 -0.39 1.42 -2.00 -0.92 0.00 0.00 175.35 173.45 1zza s GLU 60 N -2.13 3.52 0.24 1.68 -6.30 -1.26 -4.87 118.70 109.57 1zza s GLU 60 Ca 0.25 0.85 0.07 0.00 -2.50 0.00 0.00 54.97 53.64 1zza s GLU 60 Cb -0.01 -4.05 0.24 0.00 0.00 0.00 0.00 34.13 30.31 1zza s GLU 60 CO 0.02 -1.64 1.55 -1.00 0.02 0.00 0.00 175.26 174.20 1zza h PRO 61 N 10.82 0.12 0.00 4.30 0.13 -1.94 -3.04 132.00 142.39 1zza h PRO 61 Ca -0.27 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1zza h PRO 61 Cb 1.10 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1zza h PRO 61 CO 1.10 0.74 -0.27 0.35 -0.23 0.00 0.00 178.00 179.69 1zza h PHE 62 N 0.08 0.00 -0.85 1.56 3.04 -2.01 -2.43 116.94 116.34 1zza h PHE 62 Ca -0.01 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1zza h PHE 62 Cb 1.18 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.63 1zza h PHE 62 CO 0.01 0.27 0.55 -0.07 -2.02 0.00 0.00 178.31 177.05 1zza h LEU 63 N 0.00 0.69 -0.45 0.59 3.38 -1.94 0.48 115.31 118.06 1zza h LEU 63 Ca -0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1zza h LEU 63 Cb 0.50 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1zza h LEU 63 CO 0.04 0.39 0.15 -0.07 0.09 0.00 0.00 178.44 179.04 1zza h LEU 64 N 0.76 0.15 0.11 1.67 4.07 -1.57 0.33 115.31 120.83 1zza h LEU 64 Ca 0.40 0.06 -0.28 0.00 0.08 0.00 0.00 57.88 58.14 1zza h LEU 64 Cb 0.52 0.04 0.03 0.00 1.08 0.00 0.00 40.66 42.33 1zza h LEU 64 CO -0.17 0.12 -1.16 0.58 -1.08 0.00 0.00 178.44 176.73 1zza h VAL 65 N 0.32 1.31 -0.90 1.22 2.07 -1.28 0.26 116.25 119.25 1zza h VAL 65 Ca 0.21 -2.43 0.15 0.00 0.82 0.00 0.00 66.70 65.45 1zza h VAL 65 Cb 0.22 2.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.62 1zza h VAL 65 CO -0.23 0.73 0.50 -0.61 0.02 0.00 0.00 177.57 177.99 1zza h GLN 66 N 0.19 0.70 0.05 1.57 4.15 0.32 0.57 115.11 122.67 1zza h GLN 66 Ca -0.18 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.09 1zza h GLN 66 Cb 1.85 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 29.39 1zza h GLN 66 CO 0.22 0.46 -0.45 -0.92 -1.93 0.00 0.00 178.83 176.21 1zza h TYR 67 N 0.72 0.36 -0.69 3.99 5.03 -0.38 -0.66 116.97 125.34 1zza h TYR 67 Ca 0.48 -0.23 0.14 0.00 2.58 0.00 0.00 58.73 61.70 1zza h TYR 67 Cb 0.64 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 1zza h TYR 67 CO -0.06 1.11 0.47 0.77 -1.32 0.00 0.00 178.16 179.13 1zza h SER 68 N -0.49 0.33 0.00 -2.11 0.02 0.00 0.40 113.55 111.71 1zza h SER 68 Ca -0.07 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 1zza h SER 68 Cb 1.27 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 1zza h SER 68 CO 0.09 0.18 -0.95 0.00 -1.14 0.00 0.00 176.83 175.01 1zza h ALA 69 N 1.67 0.19 0.13 3.77 0.00 0.07 -3.37 119.26 121.72 1zza h ALA 69 Ca 0.34 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1zza h ALA 69 Cb 0.81 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1zza h ALA 69 CO -0.09 0.54 -0.08 0.87 0.00 0.00 0.00 179.25 180.48 1zza h LYS 70 N -1.00 -0.20 -0.59 0.00 1.57 -0.85 0.15 116.57 115.65 1zza h LYS 70 Ca -0.25 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1zza h LYS 70 Cb 1.18 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 1zza h LYS 70 CO -0.15 -0.13 -0.38 0.78 -0.57 0.00 0.00 179.45 178.99 1zza h GLY 71 N -0.21 -1.49 0.95 3.86 0.00 -0.41 1.47 103.07 107.24 1zza h GLY 71 Ca -0.01 0.91 -0.08 0.00 0.00 0.00 0.00 47.33 48.15 1zza h GLY 71 CO 0.01 -0.34 -0.10 -0.56 0.00 0.00 0.00 176.54 175.55 1zza h PRO 72 N -0.04 0.71 -0.64 4.80 0.13 -1.71 0.16 132.00 135.41 1zza h PRO 72 Ca 0.09 -0.28 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1zza h PRO 72 Cb 0.28 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.32 1zza h PRO 72 CO -0.57 0.87 0.33 0.00 -0.23 0.00 0.00 178.00 178.39 1zza h VAL 74 N 0.60 1.25 -0.93 0.00 2.07 0.21 -1.57 116.25 117.89 1zza h VAL 74 Ca 0.30 -0.95 0.16 0.00 0.82 0.00 0.00 66.70 67.03 1zza h VAL 74 Cb 0.24 1.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.79 1zza h VAL 74 CO -0.21 0.24 0.52 -0.08 0.02 0.00 0.00 177.57 178.06 1zza h GLU 75 N -0.47 0.69 0.37 1.57 4.22 -0.12 0.29 114.58 121.13 1zza h GLU 75 Ca -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1zza h GLU 75 Cb 0.43 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1zza h GLU 75 CO 0.01 0.46 -0.18 0.00 -2.18 0.00 0.00 179.01 177.12 1zza h ARG 76 N 0.71 -0.48 -0.27 1.92 3.08 0.10 -0.98 114.38 118.47 1zza h ARG 76 Ca 0.51 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.54 1zza h ARG 76 Cb 0.74 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1zza h ARG 76 CO -0.36 -0.16 -0.06 1.57 -1.07 0.00 0.00 179.97 179.89 1zza h LYS 77 N -0.90 0.42 0.03 0.04 2.10 -0.93 0.38 116.57 117.71 1zza h LYS 77 Ca -0.05 -0.10 -0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1zza h LYS 77 Cb 0.54 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1zza h LYS 77 CO 0.08 0.50 -0.01 0.00 -2.00 0.00 0.00 179.45 178.02 1zza h ALA 78 N 1.54 -0.04 -0.04 0.07 0.00 -0.46 -0.24 119.26 120.09 1zza h ALA 78 Ca 0.08 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1zza h ALA 78 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1zza h ALA 78 CO 0.02 -0.35 -0.74 1.57 0.00 0.00 0.00 179.25 179.75 1zza h LYS 79 N -0.40 0.23 0.20 0.00 2.10 -1.00 0.40 116.57 118.11 1zza h LYS 79 Ca -0.00 -0.20 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 1zza h LYS 79 Cb 0.37 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1zza h LYS 79 CO 0.01 0.87 -0.10 1.25 -2.00 0.00 0.00 179.45 179.48 1zza h LEU 80 N 0.15 -0.23 0.00 7.07 5.85 -0.24 -3.28 115.31 124.63 1zza h LEU 80 Ca -0.03 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1zza h LEU 80 Cb 1.31 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1zza h LEU 80 CO 0.11 0.29 -0.04 0.24 -0.34 0.00 0.00 178.44 178.71 1zza h MET 81 N -0.88 0.00 -6.49 1.25 2.86 -1.14 -3.48 114.93 107.04 1zza h MET 81 Ca -0.03 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.12 1zza h MET 81 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1zza h MET 81 CO 0.05 0.00 -0.92 0.25 1.06 0.00 0.00 176.91 177.35 1zza n THR 82 N -2.41 -3.65 1.22 2.22 -2.24 0.14 -4.82 114.28 104.74 1zza n THR 82 Ca 0.05 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1zza n THR 82 Cb 0.45 -2.97 0.00 0.00 -2.10 0.00 0.00 70.33 65.71 1zza n THR 82 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1zza n PRO 83 N -4.41 0.93 0.00 -0.78 -0.04 -1.22 -4.87 135.00 124.60 1zza n PRO 83 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1zza n PRO 83 Cb 0.65 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.13 0.00 0.00 3.54 5.15 -1.26 -3.50 115.26 119.06 1zza n ASN 84 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1zza n ASN 84 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zza n GLY 85 N 0.00 -1.82 0.23 8.20 0.00 -1.26 -5.00 105.19 105.53 1zza n GLY 85 Ca 0.00 0.78 0.16 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.04 1.61 0.13 -1.59 1.00 132.00 133.10 1zza h PRO 86 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1zza h PRO 86 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1zza h PRO 86 CO 0.00 0.00 -0.48 0.93 -0.23 0.00 0.00 178.00 178.22 1zza h GLU 87 N 0.00 0.11 0.00 0.86 3.07 -1.94 -3.25 114.58 113.42 1zza h GLU 87 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1zza h GLU 87 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1zza h GLU 87 CO 0.00 0.57 -1.54 1.55 -1.40 0.00 0.00 179.01 178.20 1zza n VAL 88 N -3.96 0.00 -3.64 3.13 3.14 -0.24 -4.97 118.33 111.78 1zza n VAL 88 Ca -0.02 -0.27 -0.10 0.00 -2.96 0.00 0.00 64.34 60.99 1zza n VAL 88 Cb 0.52 0.23 -0.10 0.00 -1.06 0.00 0.00 33.84 33.43 1zza n VAL 88 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1zza s HIS 89 N -2.83 -0.70 -2.30 1.45 5.65 0.33 -5.10 115.29 111.80 1zza s HIS 89 Ca -0.04 1.34 0.30 0.00 0.25 0.00 0.00 55.06 56.90 1zza s HIS 89 Cb 0.08 0.20 1.40 0.00 -1.18 0.00 0.00 32.58 33.07 1zza s HIS 89 CO 0.50 -0.46 1.94 0.41 -0.65 0.00 0.00 174.74 176.48