#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza s SER 2 N 0.00 6.79 -0.27 1.61 0.01 -1.26 -5.05 113.70 115.52 1zza s SER 2 Ca 0.00 1.23 -0.09 0.00 1.31 0.00 0.00 55.95 58.40 1zza s SER 2 Cb 0.00 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1zza s SER 2 CO 0.00 -0.14 0.11 -0.04 0.41 0.00 0.00 173.24 173.58 1zza s MET 3 N -2.79 3.61 0.00 12.44 1.00 -1.26 -4.90 119.30 127.40 1zza s MET 3 Ca 0.51 -0.52 0.10 0.00 0.00 0.00 0.00 55.69 55.78 1zza s MET 3 Cb -0.11 -3.44 0.21 0.00 0.00 0.00 0.00 34.83 31.48 1zza s MET 3 CO 0.18 -0.25 1.08 0.43 0.00 0.00 0.00 175.02 176.46 1zza n SER 4 N 4.96 2.48 -3.12 3.03 7.64 -1.26 -4.99 113.62 122.37 1zza n SER 4 Ca -0.15 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1zza n SER 4 Cb 0.51 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1zza n ILE 5 N 0.50 0.00 -1.93 0.44 -5.35 -1.26 -4.33 119.36 107.42 1zza n ILE 5 Ca 0.09 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.46 1zza n ILE 5 Cb 0.35 -0.60 -0.02 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.84 0.19 6.28 2.81 -1.26 -4.76 117.12 118.54 1zza n MET 6 Ca 0.00 0.57 0.13 0.00 -1.81 0.00 0.00 57.70 56.58 1zza n MET 6 Cb 0.00 -4.98 0.69 0.00 -0.71 0.00 0.00 33.22 28.23 1zza n MET 6 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1zza h ASP 7 N 0.00 0.00 0.00 7.83 3.58 -2.00 -3.45 116.42 122.38 1zza h ASP 7 Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1zza h ASP 7 Cb 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1zza h ASP 7 CO 0.31 0.00 0.00 1.57 -2.88 0.00 0.00 179.24 178.24 1zza n HIS 8 N -4.37 0.00 -4.00 0.28 -0.00 -1.26 -4.05 115.22 101.81 1zza n HIS 8 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1zza n HIS 8 Cb 0.25 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.99 30.02 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1zza n SER 9 N -0.05 -0.85 -0.00 0.26 2.88 -1.26 -4.89 113.62 109.71 1zza n SER 9 Ca 0.00 -1.01 -0.18 0.00 -1.33 0.00 0.00 58.87 56.35 1zza n SER 9 Cb 0.02 -3.00 -0.14 0.00 -0.75 0.00 0.00 64.21 60.35 1zza n SER 9 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1zza h PRO 10 N -1.79 0.17 0.00 -1.46 0.13 -1.98 -3.42 132.00 123.64 1zza h PRO 10 Ca -0.62 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1zza h PRO 10 Cb 1.38 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.62 1zza h PRO 10 CO 0.65 1.14 0.00 -2.37 -0.23 0.00 0.00 178.00 177.19 1zza n THR 11 N -4.29 0.00 -0.17 1.56 5.66 -1.26 -4.81 114.28 110.97 1zza n THR 11 Ca -0.15 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.82 1zza n THR 11 Cb 0.70 -0.15 0.06 0.00 -1.55 0.00 0.00 70.33 69.40 1zza n THR 11 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1zza h THR 12 N 0.00 0.93 -0.11 1.09 1.35 -1.94 0.44 112.91 114.66 1zza h THR 12 Ca 0.00 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1zza h THR 12 Cb 0.00 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 1zza h THR 12 CO 0.00 0.09 0.06 1.23 -0.25 0.00 0.00 175.52 176.65 1zza h GLY 13 N 0.49 0.18 1.31 5.82 0.00 -1.91 0.16 103.07 109.12 1zza h GLY 13 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1zza h GLY 13 CO -0.18 0.08 0.27 -2.08 0.00 0.00 0.00 176.54 174.62 1zza h VAL 14 N 0.07 1.21 0.09 4.60 2.07 -1.68 -1.56 116.25 121.05 1zza h VAL 14 Ca 0.04 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1zza h VAL 14 Cb 0.11 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1zza h VAL 14 CO -0.01 0.26 -0.04 0.58 0.02 0.00 0.00 177.57 178.38 1zza h VAL 15 N 0.88 1.16 -0.23 2.57 2.07 0.27 -0.75 116.25 122.21 1zza h VAL 15 Ca 0.21 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1zza h VAL 15 Cb 0.14 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1zza h VAL 15 CO -0.02 0.25 -0.04 0.71 0.02 0.00 0.00 177.57 178.49 1zza h THR 16 N -0.61 0.79 -0.36 2.57 1.35 -0.58 0.20 112.91 116.27 1zza h THR 16 Ca -0.01 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.77 1zza h THR 16 Cb 0.50 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1zza h THR 16 CO 0.02 0.00 -0.06 -0.37 -0.25 0.00 0.00 175.52 174.86 1zza h VAL 17 N 0.02 1.23 -0.06 6.82 -1.51 -1.34 -0.64 116.25 120.77 1zza h VAL 17 Ca 0.11 -0.98 -0.02 0.00 -1.23 0.00 0.00 66.70 64.59 1zza h VAL 17 Cb 0.16 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1zza h VAL 17 CO -0.22 0.33 -0.03 0.40 -1.23 0.00 0.00 177.57 176.82 1zza h ILE 18 N 0.56 1.32 -0.53 7.19 1.08 -0.09 0.39 117.51 127.43 1zza h ILE 18 Ca 0.11 -1.02 -0.05 0.00 -0.39 0.00 0.00 64.86 63.52 1zza h ILE 18 Cb 0.45 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 36.05 1zza h ILE 18 CO 0.02 0.28 0.14 -0.37 -0.69 0.00 0.00 178.15 177.53 1zza h VAL 19 N -0.24 1.22 -0.07 1.67 -1.51 -0.56 0.48 116.25 117.23 1zza h VAL 19 Ca 0.01 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.69 1zza h VAL 19 Cb 0.46 0.66 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1zza h VAL 19 CO 0.01 0.29 -0.00 0.40 -1.23 0.00 0.00 177.57 177.04 1zza h ILE 20 N 0.79 1.26 -0.12 7.19 2.04 -0.97 0.13 117.51 127.84 1zza h ILE 20 Ca 0.18 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1zza h ILE 20 Cb 0.27 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1zza h ILE 20 CO -0.00 0.23 0.03 -0.07 0.00 0.00 0.00 178.15 178.34 1zza h LEU 21 N -0.17 0.03 -0.71 1.44 3.38 0.17 0.32 115.31 119.77 1zza h LEU 21 Ca 0.02 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1zza h LEU 21 Cb 0.36 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1zza h LEU 21 CO 0.00 0.04 0.40 0.40 0.09 0.00 0.00 178.44 179.37 1zza h ILE 22 N 0.09 0.95 -0.30 1.22 2.04 0.06 0.20 117.51 121.77 1zza h ILE 22 Ca 0.05 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1zza h ILE 22 Cb 0.03 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1zza h ILE 22 CO -0.06 0.13 0.08 0.00 0.00 0.00 0.00 178.15 178.30 1zza h ALA 23 N 1.38 0.39 -0.39 1.87 0.00 0.01 0.28 119.26 122.80 1zza h ALA 23 Ca 0.33 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1zza h ALA 23 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1zza h ALA 23 CO -0.20 0.04 0.22 0.82 0.00 0.00 0.00 179.25 180.13 1zza h ILE 24 N 0.32 1.04 -0.37 0.00 2.04 0.40 0.32 117.51 121.26 1zza h ILE 24 Ca 0.09 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1zza h ILE 24 Cb 0.27 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1zza h ILE 24 CO -0.00 0.08 0.13 0.00 0.00 0.00 0.00 178.15 178.37 1zza h ALA 25 N 1.17 0.48 -0.61 1.87 0.00 -0.42 0.21 119.26 121.97 1zza h ALA 25 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 25 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 25 CO -0.07 0.09 0.40 0.00 0.00 0.00 0.00 179.25 179.67 1zza h ALA 26 N 0.98 0.77 -0.23 0.00 0.00 0.01 0.33 119.26 121.12 1zza h ALA 26 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1zza h ALA 26 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1zza h ALA 26 CO -0.01 0.21 0.09 1.25 0.00 0.00 0.00 179.25 180.79 1zza h LEU 27 N 0.83 0.32 -0.86 0.00 6.46 -0.05 0.30 115.31 122.30 1zza h LEU 27 Ca 0.22 -0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1zza h LEU 27 Cb -0.09 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.71 1zza h LEU 27 CO -0.05 0.40 0.55 1.23 -0.62 0.00 0.00 178.44 179.95 1zza h GLY 28 N 0.22 1.25 0.81 3.75 0.00 -0.07 0.23 103.07 109.27 1zza h GLY 28 Ca 0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1zza h GLY 28 CO -0.01 0.35 0.00 0.00 0.00 0.00 0.00 176.54 176.89 1zza h ALA 29 N 1.36 0.25 -0.62 3.60 0.00 0.13 0.12 119.26 124.10 1zza h ALA 29 Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1zza h ALA 29 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1zza h ALA 29 CO -0.12 -0.04 0.28 1.37 0.00 0.00 0.00 179.25 180.74 1zza h LEU 30 N 0.09 0.81 -0.09 0.00 8.10 0.10 0.17 115.31 124.48 1zza h LEU 30 Ca 0.05 -0.09 -0.06 0.00 0.11 0.00 0.00 57.88 57.89 1zza h LEU 30 Cb 0.38 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1zza h LEU 30 CO 0.01 0.71 -0.16 0.40 -4.11 0.00 0.00 178.44 175.29 1zza h ILE 31 N 0.89 1.39 -0.36 0.15 2.04 -0.38 -0.98 117.51 120.26 1zza h ILE 31 Ca 0.22 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1zza h ILE 31 Cb 0.13 2.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1zza h ILE 31 CO -0.02 0.40 0.20 0.25 0.00 0.00 0.00 178.15 178.98 1zza h LEU 32 N -0.17 0.31 0.79 1.44 5.85 -0.45 0.33 115.31 123.41 1zza h LEU 32 Ca 0.01 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1zza h LEU 32 Cb 0.73 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.71 1zza h LEU 32 CO 0.04 0.23 -0.38 1.23 -0.34 0.00 0.00 178.44 179.22 1zza h GLY 33 N 0.41 -1.10 0.36 3.75 0.00 -0.66 0.43 103.07 106.25 1zza h GLY 33 Ca 0.14 0.41 0.12 0.00 0.00 0.00 0.00 47.33 48.01 1zza h GLY 33 CO -0.08 -0.40 0.46 0.00 0.00 0.00 0.00 176.54 176.52 1zza h TRP 35 N 0.71 -0.50 0.00 0.00 7.01 -0.07 0.76 115.95 123.86 1zza h TRP 35 Ca 0.44 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.41 1zza h TRP 35 Cb 0.52 0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1zza h TRP 35 CO -0.07 -0.18 -0.07 0.00 -2.79 0.00 0.00 178.44 175.33 1zza n TYR 37 N -3.60 0.16 -0.06 0.00 4.19 0.54 -4.80 117.16 113.59 1zza n TYR 37 Ca -0.02 0.06 -0.08 0.00 3.31 0.00 0.00 57.90 61.17 1zza n TYR 37 Cb 0.18 -1.02 -0.07 0.00 0.49 0.00 0.00 39.34 38.93 1zza n TYR 37 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1zza n LEU 38 N -4.08 2.31 -3.80 2.98 4.77 0.18 -5.03 117.00 114.33 1zza n LEU 38 Ca -0.50 -0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.18 1zza n LEU 38 Cb 0.89 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1zza n LEU 38 CO 0.10 0.62 -0.05 -1.14 -1.33 0.00 0.00 177.39 175.59 1zza n ARG 39 N -2.78 -4.79 -0.03 3.23 0.00 0.21 -4.94 116.66 107.57 1zza n ARG 39 Ca -0.22 0.58 -0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1zza n ARG 39 Cb 0.77 -5.16 -0.00 0.00 0.00 0.00 0.00 32.46 28.08 1zza n ARG 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1zza h LEU 40 N -1.91 0.00 0.00 6.15 3.38 -1.85 -3.46 115.31 117.61 1zza h LEU 40 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1zza h LEU 40 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1zza h LEU 40 CO 0.60 0.31 0.00 1.67 0.09 0.00 0.00 178.44 181.11 1zza n GLN 41 N -3.69 0.00 0.00 1.13 0.00 -1.26 -4.27 117.38 109.28 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 -0.02 0.00 0.00 0.00 0.00 0.00 30.24 30.22 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 0.29 3.69 0.63 -1.26 -4.99 116.66 115.02 1zza n ARG 42 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 1zza n ARG 42 Cb 0.00 0.00 0.88 0.00 0.45 0.00 0.00 32.46 33.79 1zza n ARG 42 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1zza h ILE 43 N 0.00 0.44 0.00 5.15 -0.00 -2.01 -3.44 117.51 117.65 1zza h ILE 43 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 64.86 64.62 1zza h ILE 43 Cb 0.00 1.16 0.00 0.00 -0.00 0.00 0.00 36.82 37.98 1zza h ILE 43 CO 0.00 0.05 0.00 -1.54 -0.00 0.00 0.00 178.15 176.66 1zza n SER 44 N -3.61 -0.82 -3.85 2.19 3.41 -1.26 -5.07 113.62 104.61 1zza n SER 44 Ca -0.02 0.34 -0.36 0.00 -0.26 0.00 0.00 58.87 58.57 1zza n SER 44 Cb 0.15 1.01 0.03 0.00 -0.26 0.00 0.00 64.21 65.14 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zza n GLN 45 N -2.54 -1.15 -0.49 4.33 1.13 -1.26 -4.76 117.38 112.64 1zza n GLN 45 Ca 0.00 0.32 -0.06 0.00 -1.94 0.00 0.00 57.00 55.32 1zza n GLN 45 Cb 0.00 -3.67 0.02 0.00 0.11 0.00 0.00 30.24 26.70 1zza n GLN 45 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1zza n SER 46 N -2.56 4.72 -4.03 1.08 2.88 -1.26 -4.89 113.62 109.55 1zza n SER 46 Ca -0.13 -2.54 -0.17 0.00 -1.33 0.00 0.00 58.87 54.71 1zza n SER 46 Cb 0.60 -0.88 0.08 0.00 -0.75 0.00 0.00 64.21 63.25 1zza n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1zza n GLU 47 N 0.66 0.27 -1.59 -1.46 4.71 -1.26 -4.95 120.64 117.02 1zza n GLU 47 Ca 0.12 -2.17 -0.34 0.00 -0.01 0.00 0.00 57.16 54.77 1zza n GLU 47 Cb 0.62 -0.40 -0.03 0.00 -1.01 0.00 0.00 31.44 30.61 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 -3.97 4.41 -0.02 1.62 1.11 -1.26 -4.90 116.67 113.66 1zza s ASP 48 Ca 0.49 0.91 -0.07 0.00 0.18 0.00 0.00 52.55 54.05 1zza s ASP 48 Cb -0.03 -2.51 0.01 0.00 1.07 0.00 0.00 42.92 41.46 1zza s ASP 48 CO 0.32 -2.98 0.16 -0.70 1.18 0.00 0.00 175.17 173.16 1zza s GLU 49 N 8.27 0.41 0.21 8.23 2.12 -1.26 -5.16 118.70 131.52 1zza s GLU 49 Ca 0.95 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 56.13 1zza s GLU 49 Cb -0.16 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.39 1zza s GLU 49 CO 0.23 -0.09 0.11 -1.91 -0.54 0.00 0.00 175.26 173.07 1zza n GLU 50 N 1.93 0.51 0.00 4.30 0.00 -1.26 -5.02 120.64 121.10 1zza n GLU 50 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 57.16 55.08 1zza n GLU 50 Cb 0.57 1.25 0.00 0.00 0.00 0.00 0.00 31.44 33.26 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 -1.99 1.38 -0.09 4.31 2.88 -1.26 -4.71 113.62 114.14 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 0.34 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.64 0.00 2.46 1.08 -2.00 -3.44 117.51 116.24 1zza h ILE 52 Ca 0.00 -1.76 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 1zza h ILE 52 Cb 0.30 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1zza h ILE 52 CO 0.00 0.22 -0.20 0.52 -0.69 0.00 0.00 178.15 178.00 1zza n VAL 53 N -4.52 0.46 0.00 1.67 0.31 -1.26 -4.93 118.33 110.07 1zza n VAL 53 Ca -0.21 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1zza n VAL 53 Cb 0.50 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1zza n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1zza n GLY 54 N 1.66 1.27 0.00 2.92 0.00 -1.26 -4.81 105.19 104.96 1zza n GLY 54 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1zza n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zza n ASP 55 N 3.06 -0.01 0.00 1.61 -0.08 -1.26 -4.80 116.55 115.08 1zza n ASP 55 Ca 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1zza n ASP 55 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zza n GLY 56 N 4.96 3.01 0.22 0.27 0.00 -1.26 -4.86 105.19 107.52 1zza n GLY 56 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 0.99 -0.62 1.61 -0.58 -1.26 -4.88 120.64 115.90 1zza n GLU 57 Ca 0.00 -2.25 -0.15 0.00 -0.42 0.00 0.00 57.16 54.34 1zza n GLU 57 Cb 0.00 -1.26 -0.04 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.07 1.98 -3.21 2.62 -1.04 -1.26 -4.72 114.28 107.57 1zza n THR 58 Ca 0.12 -1.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.01 1zza n THR 58 Cb 0.66 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1zza n THR 58 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1zza n LYS 59 N 3.65 2.51 -2.41 -2.82 2.85 -1.26 -5.06 118.16 115.62 1zza n LYS 59 Ca 0.34 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.57 1zza n LYS 59 Cb 0.26 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.62 1zza n LYS 59 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1zza n GLU 60 N 0.00 -4.79 -0.48 -1.58 4.71 -1.26 -4.63 120.64 112.61 1zza n GLU 60 Ca 0.00 3.54 -0.11 0.00 -0.01 0.00 0.00 57.16 60.58 1zza n GLU 60 Cb 0.00 -4.74 -0.04 0.00 -1.01 0.00 0.00 31.44 25.66 1zza n GLU 60 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1zza n PRO 61 N 1.72 1.22 -1.51 3.49 -0.04 -1.26 -4.72 135.00 133.90 1zza n PRO 61 Ca -0.18 -0.86 -0.30 0.00 -0.04 0.00 0.00 63.50 62.12 1zza n PRO 61 Cb 0.27 -2.06 0.09 0.00 -0.04 0.00 0.00 33.50 31.76 1zza n PRO 61 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1zza s PHE 62 N 3.12 2.83 0.27 0.54 0.40 -1.26 -4.68 117.98 119.20 1zza s PHE 62 Ca 0.28 1.24 -0.00 0.00 -0.60 0.00 0.00 56.93 57.85 1zza s PHE 62 Cb 0.10 -3.07 0.51 0.00 0.51 0.00 0.00 43.02 41.08 1zza s PHE 62 CO -0.01 -1.71 1.83 -0.07 0.70 0.00 0.00 175.22 175.96 1zza h LEU 63 N -1.05 0.89 0.22 -0.37 3.38 -1.98 0.52 115.31 116.92 1zza h LEU 63 Ca -0.46 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1zza h LEU 63 Cb 1.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1zza h LEU 63 CO 0.58 0.49 -0.14 -0.07 0.09 0.00 0.00 178.44 179.39 1zza h LEU 64 N 0.97 -0.34 -0.89 1.67 4.07 -1.95 0.11 115.31 118.95 1zza h LEU 64 Ca 0.48 0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.35 1zza h LEU 64 Cb 0.44 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1zza h LEU 64 CO -0.26 -0.22 -0.37 0.58 -1.08 0.00 0.00 178.44 177.09 1zza h VAL 65 N -0.35 1.30 0.73 1.22 2.07 -1.69 0.12 116.25 119.66 1zza h VAL 65 Ca -0.02 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1zza h VAL 65 Cb 0.29 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1zza h VAL 65 CO 0.02 0.45 -0.39 -0.61 0.02 0.00 0.00 177.57 177.06 1zza h GLN 66 N 0.31 -1.00 -0.77 1.57 -0.00 0.48 0.56 115.11 116.26 1zza h GLN 66 Ca 0.03 0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.72 1zza h GLN 66 Cb 0.80 0.23 -0.03 0.00 0.00 0.00 0.00 27.48 28.47 1zza h GLN 66 CO 0.06 -0.66 0.36 1.88 0.00 0.00 0.00 178.83 180.47 1zza h TYR 67 N -1.03 1.12 -0.88 3.99 0.05 -0.75 0.47 116.97 119.94 1zza h TYR 67 Ca -0.10 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.63 1zza h TYR 67 Cb 0.81 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 1zza h TYR 67 CO -0.05 0.82 0.58 0.77 -1.05 0.00 0.00 178.16 179.23 1zza h SER 68 N 1.09 1.00 0.20 3.88 0.02 -0.43 0.15 113.55 119.46 1zza h SER 68 Ca 0.26 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.90 1zza h SER 68 Cb 0.14 -0.25 0.03 0.00 0.14 0.00 0.00 62.40 62.45 1zza h SER 68 CO -0.03 0.72 -1.31 0.00 -1.14 0.00 0.00 176.83 175.07 1zza h ALA 69 N 1.32 -0.07 -0.26 3.77 0.00 0.53 -3.36 119.26 121.20 1zza h ALA 69 Ca 0.32 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1zza h ALA 69 Cb -0.13 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1zza h ALA 69 CO -0.07 0.65 0.15 0.87 0.00 0.00 0.00 179.25 180.85 1zza h LYS 70 N -0.06 0.36 -0.29 0.00 1.79 0.08 -0.14 116.57 118.30 1zza h LYS 70 Ca -0.24 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.22 1zza h LYS 70 Cb 1.96 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 32.50 1zza h LYS 70 CO 0.20 0.31 -0.21 0.78 -1.08 0.00 0.00 179.45 179.46 1zza h GLY 71 N 0.32 -1.94 1.10 3.86 0.00 -0.85 1.84 103.07 107.40 1zza h GLY 71 Ca 0.09 0.97 -0.09 0.00 0.00 0.00 0.00 47.33 48.30 1zza h GLY 71 CO -0.02 -0.62 0.04 -0.56 0.00 0.00 0.00 176.54 175.38 1zza h PRO 72 N -0.04 1.09 -0.65 4.80 0.13 -1.70 0.36 132.00 135.99 1zza h PRO 72 Ca 0.05 -0.32 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1zza h PRO 72 Cb 0.16 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.15 1zza h PRO 72 CO -0.30 1.03 0.40 0.00 -0.23 0.00 0.00 178.00 178.91 1zza h VAL 74 N 0.88 1.35 -0.80 0.00 2.07 0.30 -0.74 116.25 119.31 1zza h VAL 74 Ca 0.23 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.34 1zza h VAL 74 Cb -0.05 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1zza h VAL 74 CO -0.05 0.45 0.48 -0.08 0.02 0.00 0.00 177.57 178.39 1zza h GLU 75 N 0.08 0.82 0.03 1.57 4.22 0.06 0.37 114.58 121.73 1zza h GLU 75 Ca 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1zza h GLU 75 Cb 0.83 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1zza h GLU 75 CO 0.06 0.55 -0.02 0.00 -2.18 0.00 0.00 179.01 177.42 1zza h ARG 76 N 0.85 -0.04 -0.90 1.92 -0.00 -0.32 0.11 114.38 115.99 1zza h ARG 76 Ca 0.36 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.90 1zza h ARG 76 Cb 0.23 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 30.15 1zza h ARG 76 CO -0.20 0.26 0.57 0.87 0.00 0.00 0.00 179.97 181.48 1zza h LYS 77 N -0.35 1.02 -0.39 0.04 1.79 -0.58 0.40 116.57 118.51 1zza h LYS 77 Ca -0.00 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 1zza h LYS 77 Cb 0.32 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1zza h LYS 77 CO 0.01 0.68 -0.05 0.00 -1.08 0.00 0.00 179.45 179.00 1zza h ALA 78 N 1.41 0.53 -0.07 3.86 0.00 -0.12 -0.52 119.26 124.35 1zza h ALA 78 Ca 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 78 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1zza h ALA 78 CO -0.16 0.35 -0.03 0.87 0.00 0.00 0.00 179.25 180.27 1zza h LYS 79 N 0.53 0.15 -0.39 0.00 1.79 -0.05 0.66 116.57 119.25 1zza h LYS 79 Ca 0.10 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1zza h LYS 79 Cb 0.55 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1zza h LYS 79 CO 0.03 0.52 0.16 1.25 -1.08 0.00 0.00 179.45 180.33 1zza h LEU 80 N -0.23 0.21 0.29 2.94 5.85 -0.22 -0.58 115.31 123.56 1zza h LEU 80 Ca 0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1zza h LEU 80 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1zza h LEU 80 CO 0.01 0.16 -0.14 -0.03 -0.34 0.00 0.00 178.44 178.10 1zza h MET 81 N 0.34 -0.38 -3.82 1.25 4.05 -1.06 -3.41 114.93 111.91 1zza h MET 81 Ca 0.18 0.03 -0.61 0.00 -0.28 0.00 0.00 59.70 59.01 1zza h MET 81 Cb 0.13 0.09 -0.40 0.00 -0.80 0.00 0.00 31.60 30.61 1zza h MET 81 CO -0.15 -0.04 -0.74 0.95 0.23 0.00 0.00 176.91 177.16 1zza s THR 82 N -4.27 1.41 -0.99 -0.77 -4.23 0.23 -4.95 115.64 102.06 1zza s THR 82 Ca -0.13 -1.87 0.12 0.00 -1.18 0.00 0.00 61.69 58.62 1zza s THR 82 Cb 0.02 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 71.91 1zza s THR 82 CO 0.51 -0.68 1.38 -0.81 -0.54 0.00 0.00 174.62 174.47 1zza n PRO 83 N 4.47 0.00 0.00 3.99 -0.04 -0.24 -3.92 135.00 139.26 1zza n PRO 83 Ca 0.01 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1zza n PRO 83 Cb 0.41 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.52 0.00 0.00 3.54 2.85 -1.26 -4.02 115.26 114.85 1zza n ASN 84 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1zza n ASN 84 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.16 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1zza n GLY 85 N 0.00 1.81 0.22 8.20 0.00 -1.26 -4.60 105.19 109.56 1zza n GLY 85 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.54 1.61 0.13 -1.91 -2.71 132.00 128.58 1zza h PRO 86 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1zza h PRO 86 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1zza h PRO 86 CO 0.00 0.09 0.32 1.49 -0.23 0.00 0.00 178.00 179.67 1zza h GLU 87 N 0.00 0.62 -0.00 0.86 4.81 -1.81 0.87 114.58 119.93 1zza h GLU 87 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1zza h GLU 87 Cb 0.91 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1zza h GLU 87 CO 0.01 0.41 -0.63 1.33 -0.73 0.00 0.00 179.01 179.40 1zza n VAL 88 N -4.78 0.00 -0.01 0.32 0.24 -1.23 -4.61 118.33 108.26 1zza n VAL 88 Ca 0.04 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.30 1zza n VAL 88 Cb 0.08 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 32.90 1zza n VAL 88 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1zza n HIS 89 N -1.48 0.00 0.00 6.34 -0.00 -0.91 -5.09 115.22 114.09 1zza n HIS 89 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1zza n HIS 89 Cb 0.33 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75