#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zae h GLY 18 N 0.00 0.00 1.00 1.69 0.00 -2.07 -2.70 103.07 100.99 2zae h GLY 18 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2zae h GLY 18 CO 0.00 0.00 0.29 1.48 0.00 0.00 0.00 176.54 178.31 2zae h SER 19 N 0.00 0.87 -0.71 0.19 4.64 -2.08 -2.81 113.55 113.65 2zae h SER 19 Ca -0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2zae h SER 19 Cb 0.66 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 2zae h SER 19 CO 0.05 0.78 0.33 1.88 -0.87 0.00 0.00 176.83 178.99 2zae h TYR 20 N 0.91 1.04 -0.94 4.77 0.99 -1.95 -3.14 116.97 118.65 2zae h TYR 20 Ca 0.22 -0.06 0.15 0.00 2.00 0.00 0.00 58.73 61.04 2zae h TYR 20 Cb 0.15 -0.32 -0.08 0.00 1.00 0.00 0.00 36.73 37.48 2zae h TYR 20 CO 0.01 0.77 0.60 1.96 -0.00 0.00 0.00 178.16 181.50 2zae h GLN 21 N 1.00 0.75 0.00 4.88 7.50 -1.33 -1.66 115.11 126.24 2zae h GLN 21 Ca 0.24 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.35 2zae h GLN 21 Cb 0.14 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.50 2zae h GLN 21 CO -0.03 0.49 0.00 0.39 -1.50 0.00 0.00 178.83 178.19 2zae n GLU 22 N -4.60 0.13 0.10 1.46 -0.58 -1.15 -2.60 120.64 113.39 2zae n GLU 22 Ca 0.19 0.51 0.01 0.00 -0.42 0.00 0.00 57.16 57.45 2zae n GLU 22 Cb 0.46 -1.83 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 2zae n GLU 22 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2zae h ILE 23 N 0.00 0.80 -3.23 -3.67 2.04 -1.45 -3.43 117.51 108.57 2zae h ILE 23 Ca 0.00 -2.22 -0.53 0.00 1.00 0.00 0.00 64.86 63.11 2zae h ILE 23 Cb 0.14 2.32 0.07 0.00 -0.74 0.00 0.00 36.82 38.62 2zae h ILE 23 CO 0.00 0.45 0.89 -0.63 0.00 0.00 0.00 178.15 178.86 2zae s ILE 24 N -2.93 2.16 0.00 -0.67 1.01 -1.07 -0.72 121.20 118.97 2zae s ILE 24 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2zae s ILE 24 Cb 0.08 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2zae s ILE 24 CO 0.77 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2zae n GLY 25 N 2.47 1.69 0.21 6.18 0.00 -1.26 -4.79 105.19 109.69 2zae n GLY 25 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2zae n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zae n ARG 26 N -2.00 0.86 0.19 1.61 1.74 0.10 -4.78 116.66 114.37 2zae n ARG 26 Ca 0.00 -2.03 0.14 0.00 -0.77 0.00 0.00 57.85 55.19 2zae n ARG 26 Cb 0.00 -1.16 0.62 0.00 -1.02 0.00 0.00 32.46 30.90 2zae n ARG 26 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2zae h THR 27 N 2.35 0.00 0.00 0.55 1.35 -1.77 -2.98 112.91 112.41 2zae h THR 27 Ca 0.00 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2zae h THR 27 Cb 1.13 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2zae h THR 27 CO 0.00 0.00 -0.02 4.11 -0.25 0.00 0.00 175.52 179.36 2zae h TRP 28 N 0.00 0.00 0.00 4.73 5.08 -1.90 -1.13 115.95 122.73 2zae h TRP 28 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2zae h TRP 28 Cb 0.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 2zae h TRP 28 CO 0.00 0.02 0.00 -0.84 -1.28 0.00 0.00 178.44 176.34 2zae h ILE 29 N 0.00 0.00 0.00 0.12 3.07 -1.93 -1.82 117.51 116.95 2zae h ILE 29 Ca -0.00 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 66.00 2zae h ILE 29 Cb 0.04 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 2zae h ILE 29 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 2zae n PHE 30 N -2.73 0.76 -0.13 0.16 3.01 -0.43 -4.70 117.46 113.41 2zae n PHE 30 Ca 0.01 0.24 -0.07 0.00 1.01 0.00 0.00 57.45 58.64 2zae n PHE 30 Cb 0.28 -0.88 -0.06 0.00 -0.01 0.00 0.00 39.48 38.81 2zae n PHE 30 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2zae h ARG 31 N 0.00 -0.14 -0.60 -1.08 2.43 -1.47 -2.40 114.38 111.12 2zae h ARG 31 Ca 0.00 0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.89 2zae h ARG 31 Cb 0.62 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.03 2zae h ARG 31 CO 0.00 -0.09 0.21 0.41 -1.51 0.00 0.00 179.97 178.99 2zae n GLY 32 N -1.19 4.58 0.13 2.80 0.00 -1.26 -4.70 105.19 105.56 2zae n GLY 32 Ca -0.01 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 2zae n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zae h ALA 33 N 1.23 0.09 -2.76 4.61 0.00 -1.73 -3.44 119.26 117.26 2zae h ALA 33 Ca 0.35 -0.53 -0.54 0.00 0.00 0.00 0.00 54.91 54.20 2zae h ALA 33 Cb 2.13 0.02 0.09 0.00 0.00 0.00 0.00 17.79 20.02 2zae h ALA 33 CO 0.66 0.29 0.87 1.58 0.00 0.00 0.00 179.25 182.64 2zae n HIS 34 N -4.29 2.82 0.01 0.00 -0.00 -1.26 -4.97 115.22 107.52 2zae n HIS 34 Ca -0.10 0.27 0.01 0.00 -0.00 0.00 0.00 57.72 57.90 2zae n HIS 34 Cb 0.62 -2.59 -0.02 0.00 -0.00 0.00 0.00 29.99 27.99 2zae n HIS 34 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2zae n ARG 35 N 2.12 0.54 -1.12 1.57 0.00 -1.26 -4.97 116.66 113.54 2zae n ARG 35 Ca 0.09 -0.02 -0.31 0.00 -0.00 0.00 0.00 57.85 57.60 2zae n ARG 35 Cb 0.36 -1.03 0.11 0.00 -0.00 0.00 0.00 32.46 31.90 2zae n ARG 35 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2zae s GLY 36 N -2.25 1.67 0.04 2.89 0.00 -1.26 -4.96 107.32 103.45 2zae s GLY 36 Ca -0.01 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 2zae s GLY 36 CO 0.12 0.69 1.72 -1.60 0.00 0.00 0.00 173.10 174.03 2zae s ARG 37 N -4.84 4.18 -0.09 2.90 6.06 -1.26 -4.92 118.95 120.98 2zae s ARG 37 Ca 0.63 2.36 0.04 0.00 -2.50 0.00 0.00 55.73 56.26 2zae s ARG 37 Cb -0.19 -3.78 -0.01 0.00 0.06 0.00 0.00 34.95 31.04 2zae s ARG 37 CO 0.57 -0.80 -0.22 0.08 -2.50 0.00 0.00 175.30 172.42 2zae s VAL 38 N 3.27 2.28 0.29 7.11 1.01 -1.26 -5.01 120.40 128.09 2zae s VAL 38 Ca 0.77 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2zae s VAL 38 Cb -0.39 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2zae s VAL 38 CO 0.33 0.56 0.17 0.42 0.00 0.00 0.00 175.10 176.59 2zae s THR 39 N 0.08 0.22 0.31 3.92 -4.23 -1.26 -4.92 115.64 109.75 2zae s THR 39 Ca -0.10 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 2zae s THR 39 Cb -0.16 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.44 2zae s THR 39 CO 0.06 0.00 1.97 -0.09 -0.54 0.00 0.00 174.62 176.02 2zae h ARG 40 N 2.28 1.03 0.05 3.99 9.65 -1.98 -0.69 114.38 128.72 2zae h ARG 40 Ca -0.33 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.49 2zae h ARG 40 Cb 1.25 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2zae h ARG 40 CO 0.50 0.68 -0.02 -0.09 2.80 0.00 0.00 179.97 183.84 2zae h ARG 41 N 1.07 -0.06 -0.01 0.20 2.43 -2.01 -3.34 114.38 112.65 2zae h ARG 41 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2zae h ARG 41 Cb -0.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2zae h ARG 41 CO -0.07 0.22 -0.34 0.27 -1.51 0.00 0.00 179.97 178.55 2zae n ASN 42 N -4.99 0.97 0.22 -3.80 0.23 -1.08 -4.46 115.26 102.35 2zae n ASN 42 Ca -0.08 -0.79 0.05 0.00 -0.53 0.00 0.00 54.58 53.23 2zae n ASN 42 Cb 0.17 0.20 0.49 0.00 -2.08 0.00 0.00 39.78 38.56 2zae n ASN 42 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2zae h ILE 43 N 0.99 1.14 0.00 1.53 2.10 -1.26 -1.86 117.51 120.16 2zae h ILE 43 Ca 0.00 -0.68 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 2zae h ILE 43 Cb 0.52 1.36 -0.00 0.00 -1.09 0.00 0.00 36.82 37.60 2zae h ILE 43 CO 0.00 0.19 -0.06 0.16 -1.08 0.00 0.00 178.15 177.37 2zae h ILE 44 N 0.01 0.35 -0.00 2.19 3.07 -1.83 -2.77 117.51 118.53 2zae h ILE 44 Ca 0.00 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2zae h ILE 44 Cb 0.35 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.14 2zae h ILE 44 CO 0.03 0.06 -0.64 0.79 -1.05 0.00 0.00 178.15 177.33 2zae n TRP 45 N -3.46 0.00 -2.50 0.16 8.01 -0.72 -4.70 117.44 114.23 2zae n TRP 45 Ca -0.02 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.05 2zae n TRP 45 Cb 0.19 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.55 2zae n TRP 45 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 2zae n HIS 46 N -1.05 -3.09 -3.01 -5.99 -0.00 -1.04 -4.54 115.22 96.50 2zae n HIS 46 Ca 0.04 -0.96 -0.41 0.00 0.46 0.00 0.00 57.72 56.85 2zae n HIS 46 Cb 0.27 -0.38 -0.05 0.00 -0.12 0.00 0.00 29.99 29.71 2zae n HIS 46 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2zae s GLU 47 N -3.79 4.27 -0.01 1.57 2.56 -1.26 -4.92 118.70 117.11 2zae s GLU 47 Ca 0.35 0.82 0.01 0.00 0.00 0.00 0.00 54.97 56.15 2zae s GLU 47 Cb -0.02 -3.57 -0.26 0.00 2.00 0.00 0.00 34.13 32.28 2zae s GLU 47 CO 0.23 -0.26 0.79 -0.07 -0.56 0.00 0.00 175.26 175.39 2zae h LEU 48 N 8.17 0.26 -9.54 2.70 3.38 -1.96 -3.44 115.31 114.87 2zae h LEU 48 Ca -0.31 -0.40 -0.59 0.00 0.09 0.00 0.00 57.88 56.67 2zae h LEU 48 Cb 1.14 -0.08 0.07 0.00 0.09 0.00 0.00 40.66 41.88 2zae h LEU 48 CO 0.80 1.34 0.66 -0.38 0.09 0.00 0.00 178.44 180.96 2zae n ILE 49 N -3.35 0.59 0.00 1.22 5.41 -1.26 -1.61 119.36 120.35 2zae n ILE 49 Ca -0.17 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.44 2zae n ILE 49 Cb 1.04 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 2zae n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2zae n GLY 50 N 2.59 1.75 3.75 7.39 0.00 -0.30 -4.93 105.19 115.44 2zae n GLY 50 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2zae n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2zae s LEU 51 N 0.00 4.42 0.40 0.99 1.43 -0.64 -4.52 118.68 120.76 2zae s LEU 51 Ca 0.00 1.34 -0.26 0.00 -1.03 0.00 0.00 54.13 54.17 2zae s LEU 51 Cb 0.00 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 2zae s LEU 51 CO 0.00 0.02 1.32 -0.13 0.23 0.00 0.00 176.35 177.79 2zae s ARG 52 N 0.04 4.01 -0.03 1.70 0.52 -1.26 -1.36 118.95 122.58 2zae s ARG 52 Ca 0.36 2.21 -0.16 0.00 -0.52 0.00 0.00 55.73 57.63 2zae s ARG 52 Cb -0.19 -2.81 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2zae s ARG 52 CO 0.21 -0.48 0.34 0.54 0.02 0.00 0.00 175.30 175.93 2zae s VAL 53 N -1.23 0.05 0.11 3.52 0.11 -0.07 -1.40 120.40 121.49 2zae s VAL 53 Ca 0.56 -0.39 0.08 0.00 -2.93 0.00 0.00 61.98 59.30 2zae s VAL 53 Cb -0.39 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2zae s VAL 53 CO 0.51 -0.22 -0.21 0.00 -3.33 0.00 0.00 175.10 171.86 2zae s ARG 54 N -1.16 1.16 -0.42 1.54 1.70 -0.30 -1.38 118.95 120.08 2zae s ARG 54 Ca -0.12 -1.21 -0.22 0.00 -0.47 0.00 0.00 55.73 53.70 2zae s ARG 54 Cb -0.05 -1.40 0.02 0.00 -0.57 0.00 0.00 34.95 32.95 2zae s ARG 54 CO 0.04 0.32 0.74 0.42 -1.08 0.00 0.00 175.30 175.75 2zae s ILE 55 N -1.31 4.72 0.01 4.99 1.09 0.24 -0.92 121.20 130.02 2zae s ILE 55 Ca 0.08 0.48 -0.22 0.00 -1.10 0.00 0.00 60.65 59.89 2zae s ILE 55 Cb -0.09 -4.25 -0.18 0.00 -1.06 0.00 0.00 42.46 36.87 2zae s ILE 55 CO 0.05 -0.60 1.25 0.58 -0.10 0.00 0.00 174.94 176.12 2zae h VAL 56 N 5.89 1.40 -3.38 2.92 2.07 -1.33 0.10 116.25 123.93 2zae h VAL 56 Ca -0.25 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 2zae h VAL 56 Cb 1.09 2.16 -0.16 0.00 -1.52 0.00 0.00 31.29 32.86 2zae h VAL 56 CO 0.93 0.41 -0.23 -0.83 0.02 0.00 0.00 177.57 177.86 2zae s GLY 57 N -3.51 -0.12 -0.23 2.17 0.00 -1.20 -4.62 107.32 99.81 2zae s GLY 57 Ca -0.15 -0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.22 2zae s GLY 57 CO 0.74 -0.30 0.88 -0.45 0.00 0.00 0.00 173.10 173.97 2zae s SER 58 N -2.29 -0.56 0.57 1.64 0.15 -1.26 -0.71 113.70 111.24 2zae s SER 58 Ca -0.02 0.96 0.35 0.00 0.70 0.00 0.00 55.95 57.93 2zae s SER 58 Cb 0.00 0.93 1.63 0.00 -1.71 0.00 0.00 66.02 66.87 2zae s SER 58 CO -0.06 -0.27 2.09 0.74 1.20 0.00 0.00 173.24 176.94 2zae h THR 59 N 3.49 0.14 -3.30 6.45 2.02 -1.83 -3.37 112.91 116.50 2zae h THR 59 Ca -0.27 -0.43 -0.76 0.00 0.77 0.00 0.00 66.41 65.73 2zae h THR 59 Cb 1.16 1.37 -0.24 0.00 -1.74 0.00 0.00 68.15 68.71 2zae h THR 59 CO 0.16 0.04 0.04 -1.00 0.37 0.00 0.00 175.52 175.12 2zae s HIS 60 N -3.88 3.40 0.57 3.16 4.02 -1.26 -4.98 115.29 116.33 2zae s HIS 60 Ca -0.01 -1.52 0.27 0.00 1.02 0.00 0.00 55.06 54.82 2zae s HIS 60 Cb 0.11 -3.88 1.53 0.00 -1.02 0.00 0.00 32.58 29.32 2zae s HIS 60 CO 0.52 -1.09 2.02 -1.35 1.02 0.00 0.00 174.74 175.87 2zae h PRO 61 N 8.50 0.00 0.00 8.40 0.11 -2.01 -2.41 132.00 144.59 2zae h PRO 61 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2zae h PRO 61 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2zae h PRO 61 CO 0.94 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.66 2zae h ALA 62 N 1.68 1.51 0.00 -0.75 0.00 -1.93 -2.96 119.26 116.82 2zae h ALA 62 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2zae h ALA 62 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2zae h ALA 62 CO -0.00 0.10 -0.87 1.19 0.00 0.00 0.00 179.25 179.67 2zae n PHE 63 N -3.92 0.42 -1.95 0.00 3.01 -0.91 -4.82 117.46 109.30 2zae n PHE 63 Ca -0.02 0.12 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 2zae n PHE 63 Cb 0.17 -0.56 -0.03 0.00 -0.01 0.00 0.00 39.48 39.05 2zae n PHE 63 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2zae s VAL 64 N -3.20 3.12 0.00 -4.37 0.11 -1.12 -1.48 120.40 113.47 2zae s VAL 64 Ca 0.04 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 2zae s VAL 64 Cb 0.14 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2zae s VAL 64 CO 0.77 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.14 2zae n GLY 65 N 3.99 1.27 3.65 6.54 0.00 0.36 -5.01 105.19 115.98 2zae n GLY 65 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2zae n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2zae n ILE 66 N -2.00 1.63 -3.87 -0.61 2.08 -0.55 -4.78 119.36 111.27 2zae n ILE 66 Ca 0.00 -0.41 -0.11 0.00 0.56 0.00 0.00 62.75 62.79 2zae n ILE 66 Cb 0.00 -1.32 -0.10 0.00 -0.75 0.00 0.00 39.64 37.47 2zae n ILE 66 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2zae s GLU 67 N -1.28 0.41 0.00 0.38 4.04 -1.26 -0.59 118.70 120.40 2zae s GLU 67 Ca 0.61 -0.28 0.00 0.00 0.04 0.00 0.00 54.97 55.34 2zae s GLU 67 Cb -0.65 0.17 0.00 0.00 0.02 0.00 0.00 34.13 33.67 2zae s GLU 67 CO 0.57 -0.09 0.00 0.41 -1.84 0.00 0.00 175.26 174.31 2zae n GLY 68 N 1.78 -1.10 3.82 -3.83 0.00 -0.48 -4.06 105.19 101.33 2zae n GLY 68 Ca -0.21 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 2zae n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zae s TYR 69 N -3.00 3.76 -0.01 1.61 1.51 -0.16 -0.89 117.35 120.17 2zae s TYR 69 Ca 0.00 1.14 -0.30 0.00 -1.01 0.00 0.00 57.07 56.90 2zae s TYR 69 Cb 0.00 -2.40 -0.06 0.00 -0.11 0.00 0.00 41.96 39.40 2zae s TYR 69 CO 0.00 0.60 1.46 0.08 -1.11 0.00 0.00 175.55 176.58 2zae s VAL 70 N -1.13 3.64 -0.09 0.71 1.01 -0.46 -0.53 120.40 123.55 2zae s VAL 70 Ca 0.28 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.31 2zae s VAL 70 Cb -0.18 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 2zae s VAL 70 CO 0.17 -0.02 0.17 2.30 0.00 0.00 0.00 175.10 177.72 2zae n ILE 71 N 4.83 0.00 -3.61 2.22 -5.35 0.69 -1.15 119.36 116.99 2zae n ILE 71 Ca 0.14 -0.21 -0.10 0.00 -0.27 0.00 0.00 62.75 62.31 2zae n ILE 71 Cb 0.43 0.56 -0.03 0.00 -1.74 0.00 0.00 39.64 38.86 2zae n ILE 71 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2zae s ASP 72 N -2.33 -0.34 -0.07 7.28 -1.08 -1.16 -4.94 116.67 114.03 2zae s ASP 72 Ca -0.01 -0.29 -0.06 0.00 -0.52 0.00 0.00 52.55 51.67 2zae s ASP 72 Cb 0.04 0.56 0.02 0.00 -1.46 0.00 0.00 42.92 42.08 2zae s ASP 72 CO 0.25 -0.97 0.20 -0.70 0.52 0.00 0.00 175.17 174.46 2zae s GLU 73 N -3.82 0.22 0.28 4.34 2.12 -1.26 -0.88 118.70 119.70 2zae s GLU 73 Ca 0.05 0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.69 2zae s GLU 73 Cb -0.00 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.46 2zae s GLU 73 CO -0.09 -0.04 0.07 0.25 -0.54 0.00 0.00 175.26 174.91 2zae n THR 74 N 3.12 0.00 -0.24 -1.70 -2.24 -0.47 -4.66 114.28 108.09 2zae n THR 74 Ca -0.14 -1.55 0.04 0.00 -2.27 0.00 0.00 64.05 60.13 2zae n THR 74 Cb 0.58 0.48 0.16 0.00 -2.10 0.00 0.00 70.33 69.45 2zae n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2zae h ARG 75 N 0.00 0.25 0.00 -0.78 2.43 -1.93 -3.14 114.38 111.20 2zae h ARG 75 Ca -0.23 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 2zae h ARG 75 Cb 0.80 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 2zae h ARG 75 CO 0.36 0.16 -0.37 -1.71 -1.51 0.00 0.00 179.97 176.90 2zae n ASN 76 N -5.16 1.49 -3.76 -3.80 5.15 -1.26 -0.80 115.26 107.12 2zae n ASN 76 Ca 0.13 -2.90 -0.13 0.00 -0.60 0.00 0.00 54.58 51.07 2zae n ASN 76 Cb 0.42 -0.39 -0.14 0.00 -0.53 0.00 0.00 39.78 39.15 2zae n ASN 76 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2zae s MET 77 N -1.94 0.15 -0.17 1.20 1.75 -1.19 -0.41 119.30 118.68 2zae s MET 77 Ca 0.27 0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 55.05 2zae s MET 77 Cb 0.26 -0.10 -0.03 0.00 2.84 0.00 0.00 34.83 37.79 2zae s MET 77 CO -0.03 -0.13 -0.01 -0.51 -0.65 0.00 0.00 175.02 173.69 2zae s LEU 78 N 0.97 3.36 -0.26 4.11 1.43 -0.09 -1.37 118.68 126.83 2zae s LEU 78 Ca -0.07 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 2zae s LEU 78 Cb -0.09 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2zae s LEU 78 CO -0.05 0.14 0.38 -0.69 0.23 0.00 0.00 176.35 176.35 2zae s VAL 79 N 0.56 5.18 -0.12 -1.59 1.01 -0.06 -0.69 120.40 124.67 2zae s VAL 79 Ca -0.01 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2zae s VAL 79 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2zae s VAL 79 CO 0.02 0.17 -0.22 -0.63 0.00 0.00 0.00 175.10 174.44 2zae s ILE 80 N 1.97 2.16 -0.26 2.22 1.01 0.31 -0.22 121.20 128.38 2zae s ILE 80 Ca 0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2zae s ILE 80 Cb -0.16 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2zae s ILE 80 CO 0.09 0.55 0.03 0.00 0.00 0.00 0.00 174.94 175.62 2zae s ALA 81 N 0.56 2.97 0.00 9.38 0.00 0.31 -1.18 121.76 133.80 2zae s ALA 81 Ca -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2zae s ALA 81 Cb -0.17 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2zae s ALA 81 CO 0.04 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2zae n GLY 82 N 4.83 3.34 0.32 0.00 0.00 -1.26 -0.98 105.19 111.43 2zae n GLY 82 Ca -0.16 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 45.72 2zae n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2zae h ASP 83 N 0.00 0.00 -3.16 1.61 3.32 -1.95 -3.42 116.42 112.81 2zae h ASP 83 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2zae h ASP 83 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2zae h ASP 83 CO 0.00 0.01 0.18 -2.11 -1.72 0.00 0.00 179.24 175.60 2zae n ARG 84 N -3.42 1.03 -3.43 3.56 1.85 -1.26 -4.97 116.66 110.02 2zae n ARG 84 Ca -0.03 -2.31 -0.37 0.00 -1.00 0.00 0.00 57.85 54.13 2zae n ARG 84 Cb 0.09 2.72 -0.07 0.00 -1.05 0.00 0.00 32.46 34.15 2zae n ARG 84 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2zae s ILE 85 N -2.27 5.24 -0.03 8.89 1.01 -1.26 -4.28 121.20 128.50 2zae s ILE 85 Ca 0.18 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.60 2zae s ILE 85 Cb -0.04 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2zae s ILE 85 CO 0.14 0.32 -0.24 0.26 0.00 0.00 0.00 174.94 175.42 2zae s TRP 86 N 0.83 2.18 -0.54 3.97 0.51 -0.33 -4.99 118.94 120.58 2zae s TRP 86 Ca 0.19 -0.46 -0.08 0.00 -2.12 0.00 0.00 56.10 53.63 2zae s TRP 86 Cb -0.14 -1.41 0.14 0.00 -0.81 0.00 0.00 33.47 31.25 2zae s TRP 86 CO 0.07 -0.07 0.40 0.15 -0.51 0.00 0.00 176.95 176.99 2zae s LYS 87 N -0.47 2.58 -0.22 4.98 1.02 -1.26 -0.53 119.74 125.83 2zae s LYS 87 Ca 0.07 -1.99 -0.09 0.00 0.02 0.00 0.00 55.97 53.97 2zae s LYS 87 Cb -0.10 -3.92 -0.05 0.00 -0.52 0.00 0.00 37.83 33.24 2zae s LYS 87 CO -0.00 -1.19 0.13 0.14 -0.92 0.00 0.00 175.35 173.50 2zae s VAL 88 N 0.95 5.14 0.20 3.17 -7.23 0.13 -4.91 120.40 117.84 2zae s VAL 88 Ca 0.09 0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.06 2zae s VAL 88 Cb -0.23 -3.37 -0.09 0.00 0.56 0.00 0.00 36.38 33.24 2zae s VAL 88 CO -0.02 0.38 1.42 -2.16 -0.31 0.00 0.00 175.10 174.41 2zae s PRO 89 N 0.87 4.30 -0.00 4.82 0.04 -1.26 -0.91 135.00 142.86 2zae s PRO 89 Ca 0.06 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 2zae s PRO 89 Cb -0.13 -3.16 -0.18 0.00 0.04 0.00 0.00 34.50 31.07 2zae s PRO 89 CO 0.03 -0.41 1.27 0.87 0.04 0.00 0.00 177.00 178.80 2zae h LYS 90 N 5.69 0.16 0.00 4.56 1.57 -1.05 -3.35 116.57 124.15 2zae h LYS 90 Ca -0.44 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 2zae h LYS 90 Cb 1.21 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2zae h LYS 90 CO 0.81 0.64 -0.10 0.38 -0.57 0.00 0.00 179.45 180.61 2zae h ASP 91 N -0.30 0.00 -0.27 0.86 2.03 -1.79 -2.33 116.42 114.62 2zae h ASP 91 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2zae h ASP 91 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2zae h ASP 91 CO 0.02 0.10 0.00 1.33 -1.03 0.00 0.00 179.24 179.66 2zae n VAL 92 N -3.29 0.37 -4.43 4.15 0.24 -1.26 -4.30 118.33 109.80 2zae n VAL 92 Ca -0.00 -0.68 -0.22 0.00 -2.04 0.00 0.00 64.34 61.39 2zae n VAL 92 Cb 0.32 1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 33.70 2zae n VAL 92 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2zae s SER 93 N -1.54 3.23 -0.14 -1.34 0.01 -0.88 -2.05 113.70 110.99 2zae s SER 93 Ca 0.33 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 56.58 2zae s SER 93 Cb 0.21 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 66.20 2zae s SER 93 CO 0.29 -0.05 -0.22 -0.63 0.41 0.00 0.00 173.24 173.04 2zae s ILE 94 N -2.68 2.09 -0.01 1.44 1.01 0.11 -0.26 121.20 122.89 2zae s ILE 94 Ca 0.28 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2zae s ILE 94 Cb -0.03 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2zae s ILE 94 CO 0.12 0.55 0.01 -0.36 0.00 0.00 0.00 174.94 175.26 2zae s PHE 95 N 0.84 3.10 -0.26 3.97 0.40 -0.26 -0.86 117.98 124.90 2zae s PHE 95 Ca -0.06 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2zae s PHE 95 Cb -0.15 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.76 2zae s PHE 95 CO -0.02 0.47 -0.10 -2.00 0.70 0.00 0.00 175.22 174.27 2zae s GLU 96 N -1.54 2.17 0.26 0.44 2.12 -0.09 -0.51 118.70 121.56 2zae s GLU 96 Ca 0.19 -1.38 -0.15 0.00 0.36 0.00 0.00 54.97 54.00 2zae s GLU 96 Cb -0.12 -2.90 -0.08 0.00 0.26 0.00 0.00 34.13 31.29 2zae s GLU 96 CO 0.10 -0.60 0.68 -0.06 -0.54 0.00 0.00 175.26 174.85 2zae s PHE 97 N 1.09 3.48 -0.19 5.30 0.40 0.15 -1.16 117.98 127.07 2zae s PHE 97 Ca -0.08 1.19 -0.05 0.00 -0.60 0.00 0.00 56.93 57.39 2zae s PHE 97 Cb -0.20 -2.49 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 2zae s PHE 97 CO -0.05 0.23 -0.00 -2.00 0.70 0.00 0.00 175.22 174.09 2zae s GLU 98 N -2.57 3.68 0.82 0.44 2.12 -0.49 0.08 118.70 122.78 2zae s GLU 98 Ca 0.48 -0.50 -0.12 0.00 0.36 0.00 0.00 54.97 55.20 2zae s GLU 98 Cb -0.13 -3.06 0.09 0.00 0.26 0.00 0.00 34.13 31.29 2zae s GLU 98 CO 0.19 0.11 1.10 0.00 -0.54 0.00 0.00 175.26 176.12 2zae s ALA 99 N 0.75 2.10 0.66 6.30 0.00 0.67 -4.06 121.76 128.19 2zae s ALA 99 Ca 0.00 -0.23 0.42 0.00 0.00 0.00 0.00 51.96 52.15 2zae s ALA 99 Cb -0.14 -3.11 2.29 0.00 0.00 0.00 0.00 23.12 22.16 2zae s ALA 99 CO 0.02 -1.87 2.32 0.38 0.00 0.00 0.00 175.76 176.61 2zae h ASP 100 N -1.20 0.00 -0.32 0.00 -0.00 -1.91 -1.14 116.42 111.85 2zae h ASP 100 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 2zae h ASP 100 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.61 2zae h ASP 100 CO 0.59 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 178.93 2zae n ASP 101 N -3.17 3.00 0.00 4.15 5.68 -1.26 -4.95 116.55 120.00 2zae n ASP 101 Ca -0.03 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 2zae n ASP 101 Cb 0.10 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 2zae n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2zae n GLY 102 N 1.41 0.54 3.72 6.12 0.00 -0.43 -5.05 105.19 111.50 2zae n GLY 102 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2zae n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2zae n THR 103 N -2.00 0.47 -3.38 2.61 -1.04 -1.26 -4.72 114.28 104.96 2zae n THR 103 Ca 0.00 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.51 2zae n THR 103 Cb 0.00 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 66.53 2zae n THR 103 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2zae s LYS 104 N 0.38 4.09 -0.23 -2.82 -0.14 -1.26 -0.24 119.74 119.52 2zae s LYS 104 Ca 0.70 0.56 -0.01 0.00 -1.36 0.00 0.00 55.97 55.87 2zae s LYS 104 Cb -0.52 -3.25 0.07 0.00 -1.68 0.00 0.00 37.83 32.45 2zae s LYS 104 CO 0.40 0.61 -0.00 0.42 -0.76 0.00 0.00 175.35 176.02 2zae s ILE 105 N -0.91 1.12 -0.20 2.17 1.01 0.11 -4.97 121.20 119.53 2zae s ILE 105 Ca 0.26 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 2zae s ILE 105 Cb -0.18 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2zae s ILE 105 CO 0.16 -0.22 0.30 -0.75 0.00 0.00 0.00 174.94 174.42 2zae s LYS 106 N 1.57 4.18 -0.13 2.79 2.20 -1.26 -0.67 119.74 128.42 2zae s LYS 106 Ca -0.02 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.55 2zae s LYS 106 Cb -0.18 -3.50 0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2zae s LYS 106 CO -0.09 0.09 0.31 -1.50 -0.36 0.00 0.00 175.35 173.80 2zae s ILE 107 N 0.94 -0.02 0.18 5.43 2.07 0.34 -5.00 121.20 125.13 2zae s ILE 107 Ca 0.15 0.08 -0.32 0.00 -1.41 0.00 0.00 60.65 59.16 2zae s ILE 107 Cb -0.14 -0.46 -0.11 0.00 0.13 0.00 0.00 42.46 41.88 2zae s ILE 107 CO 0.05 0.03 1.72 -2.84 -1.91 0.00 0.00 174.94 172.00 2zae s PRO 108 N 0.95 4.14 0.63 3.50 0.02 -1.26 -1.10 135.00 141.87 2zae s PRO 108 Ca -0.06 2.56 0.41 0.00 0.02 0.00 0.00 61.00 63.93 2zae s PRO 108 Cb -0.07 -3.22 2.08 0.00 0.02 0.00 0.00 34.50 33.31 2zae s PRO 108 CO -0.07 -0.75 2.25 0.78 -0.33 0.00 0.00 177.00 178.88 2zae h GLY 109 N 7.27 0.00 1.80 0.52 0.00 -0.74 -1.83 103.07 110.10 2zae h GLY 109 Ca -0.44 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.92 2zae h GLY 109 CO 0.95 0.00 0.07 0.83 0.00 0.00 0.00 176.54 178.39 2zae h GLU 110 N 0.00 0.00 0.00 4.80 5.08 -1.74 -1.27 114.58 121.44 2zae h GLU 110 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2zae h GLU 110 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2zae h GLU 110 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2zae h ARG 111 N 0.00 0.00 -0.36 2.33 2.47 -1.69 -3.08 114.38 114.05 2zae h ARG 111 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2zae h ARG 111 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2zae h ARG 111 CO -0.00 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.81 2zae n LEU 112 N -2.39 3.03 -4.76 3.04 4.77 -0.48 -4.93 117.00 115.28 2zae n LEU 112 Ca 0.02 -1.71 -0.41 0.00 -0.03 0.00 0.00 56.01 53.88 2zae n LEU 112 Cb 0.28 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2zae n LEU 112 CO 0.23 0.71 1.08 -0.69 -1.33 0.00 0.00 177.39 177.39 2zae s VAL 113 N -1.09 2.53 0.00 4.08 1.01 -1.17 -4.85 120.40 120.91 2zae s VAL 113 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2zae s VAL 113 Cb 0.16 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2zae s VAL 113 CO 0.22 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2zae n GLY 114 N 1.47 4.42 3.70 4.51 0.00 0.02 -4.94 105.19 114.36 2zae n GLY 114 Ca 0.04 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2zae n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zae n ARG 115 N -1.22 1.68 -0.30 1.61 1.74 -1.26 -4.29 116.66 114.62 2zae n ARG 115 Ca 0.00 0.61 0.12 0.00 -0.77 0.00 0.00 57.85 57.80 2zae n ARG 115 Cb 0.00 -2.39 0.29 0.00 -1.02 0.00 0.00 32.46 29.34 2zae n ARG 115 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2zae h PRO 116 N 1.63 0.44 0.00 5.56 0.13 -1.83 0.74 132.00 138.67 2zae h PRO 116 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2zae h PRO 116 Cb 1.31 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2zae h PRO 116 CO 0.58 0.29 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.66 2zae n GLU 117 N -5.00 0.14 0.16 0.86 0.00 -1.26 -2.81 120.64 112.72 2zae n GLU 117 Ca 0.21 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.58 2zae n GLU 117 Cb 0.60 -1.64 0.15 0.00 0.00 0.00 0.00 31.44 30.55 2zae n GLU 117 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 2zae h MET 118 N 0.00 0.00 0.00 3.44 2.86 -1.20 -3.33 114.93 116.70 2zae h MET 118 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2zae h MET 118 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2zae h MET 118 CO 0.00 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.51 2zae n ARG 119 N -2.80 0.07 0.04 1.72 1.74 -1.02 -3.02 116.66 113.40 2zae n ARG 119 Ca 0.03 0.29 -0.04 0.00 -0.77 0.00 0.00 57.85 57.35 2zae n ARG 119 Cb 0.52 -1.63 0.18 0.00 -1.02 0.00 0.00 32.46 30.51 2zae n ARG 119 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2zae h LEU 120 N 0.00 0.42 0.00 0.55 3.38 -1.75 -3.37 115.31 114.54 2zae h LEU 120 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2zae h LEU 120 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2zae h LEU 120 CO 0.00 0.76 0.00 0.29 0.09 0.00 0.00 178.44 179.58