#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za3 s SER 22 N 0.00 -0.28 0.09 6.43 0.15 -1.26 -2.82 113.70 116.02 1za3 s SER 22 Ca 0.00 0.53 -0.32 0.00 0.70 0.00 0.00 55.95 56.86 1za3 s SER 22 Cb 0.00 0.53 -0.11 0.00 -1.71 0.00 0.00 66.02 64.72 1za3 s SER 22 CO 0.00 -0.10 1.80 -2.65 1.20 0.00 0.00 173.24 173.49 1za3 n PRO 23 N 3.09 2.59 -3.10 5.44 -0.02 -1.26 -4.79 135.00 136.95 1za3 n PRO 23 Ca -0.14 0.94 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 1za3 n PRO 23 Cb 0.58 -2.81 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 1za3 n PRO 23 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1za3 s SER 24 N 2.67 6.66 -1.56 2.55 0.01 0.15 -4.16 113.70 120.02 1za3 s SER 24 Ca 0.83 0.81 -0.11 0.00 1.31 0.00 0.00 55.95 58.79 1za3 s SER 24 Cb -0.55 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 63.42 1za3 s SER 24 CO 0.40 -0.32 0.73 -0.62 0.41 0.00 0.00 173.24 173.84 1za3 n GLU 25 N 5.30 -3.91 -1.00 12.44 4.71 -1.26 -1.63 120.64 135.28 1za3 n GLU 25 Ca -0.01 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1za3 n GLU 25 Cb 0.49 -5.05 0.00 0.00 -1.01 0.00 0.00 31.44 25.88 1za3 n GLU 25 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1za3 n GLY 26 N -1.65 0.52 3.06 0.62 0.00 -1.26 -5.02 105.19 101.46 1za3 n GLY 26 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1za3 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1za3 s LEU 27 N 0.00 2.37 -0.10 0.99 1.43 -0.65 -4.75 118.68 117.97 1za3 s LEU 27 Ca 0.00 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 1za3 s LEU 27 Cb 0.00 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 1za3 s LEU 27 CO 0.00 -0.42 0.04 0.00 0.23 0.00 0.00 176.35 176.20 1za3 s PRO 29 N -0.77 1.87 0.38 0.00 0.04 -1.26 -0.83 135.00 134.43 1za3 s PRO 29 Ca 0.12 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1za3 s PRO 29 Cb -0.12 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 1za3 s PRO 29 CO 0.03 -2.00 0.99 -2.30 0.04 0.00 0.00 177.00 173.76 1za3 n PRO 30 N -3.22 1.34 -0.34 0.56 -0.02 -1.23 -2.39 135.00 129.70 1za3 n PRO 30 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1za3 n PRO 30 Cb 0.51 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1za3 n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1za3 n GLY 31 N 1.21 0.78 3.16 -1.23 0.00 -0.22 -4.93 105.19 103.96 1za3 n GLY 31 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1za3 n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1za3 s HIS 32 N -2.23 0.71 0.42 1.61 3.76 -1.01 -0.48 115.29 118.08 1za3 s HIS 32 Ca 0.00 -1.13 0.06 0.00 -0.15 0.00 0.00 55.06 53.85 1za3 s HIS 32 Cb 0.00 -0.40 -0.06 0.00 1.11 0.00 0.00 32.58 33.22 1za3 s HIS 32 CO 0.00 -0.51 0.06 -3.38 -0.85 0.00 0.00 174.74 170.06 1za3 s HIS 33 N -4.01 2.46 0.35 1.40 -3.43 -0.55 -4.79 115.29 106.72 1za3 s HIS 33 Ca 0.19 -0.68 0.08 0.00 -0.80 0.00 0.00 55.06 53.85 1za3 s HIS 33 Cb 0.07 -1.81 -0.03 0.00 -1.43 0.00 0.00 32.58 29.38 1za3 s HIS 33 CO -0.01 0.34 0.27 -1.50 -2.00 0.00 0.00 174.74 171.84 1za3 s ILE 34 N -2.70 3.31 0.63 -5.38 2.07 -0.73 -0.24 121.20 118.16 1za3 s ILE 34 Ca 0.34 -1.43 -0.08 0.00 -1.41 0.00 0.00 60.65 58.07 1za3 s ILE 34 Cb 0.07 -3.12 0.01 0.00 0.13 0.00 0.00 42.46 39.55 1za3 s ILE 34 CO 0.18 -0.15 0.97 -0.94 -1.91 0.00 0.00 174.94 173.09 1za3 s SER 35 N -3.98 5.58 0.35 4.50 1.04 -0.75 -4.47 113.70 115.96 1za3 s SER 35 Ca 0.41 0.89 0.07 0.00 0.48 0.00 0.00 55.95 57.80 1za3 s SER 35 Cb -0.05 -1.82 0.65 0.00 0.10 0.00 0.00 66.02 64.91 1za3 s SER 35 CO 0.26 -1.14 1.86 1.05 0.98 0.00 0.00 173.24 176.25 1za3 h GLU 36 N -0.34 0.37 0.00 4.02 4.11 -1.93 -2.35 114.58 118.46 1za3 h GLU 36 Ca -0.45 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1za3 h GLU 36 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1za3 h GLU 36 CO 0.62 0.49 -0.05 -0.40 0.07 0.00 0.00 179.01 179.74 1za3 n ASP 37 N -4.24 0.18 -0.35 3.06 5.75 -1.26 -4.93 116.55 114.77 1za3 n ASP 37 Ca 0.00 0.45 -0.03 0.00 -0.01 0.00 0.00 54.79 55.20 1za3 n ASP 37 Cb 0.29 -0.48 -0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1za3 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1za3 n GLY 38 N 1.47 0.25 0.08 6.12 0.00 -0.88 -4.91 105.19 107.31 1za3 n GLY 38 Ca 0.07 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1za3 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1za3 n ARG 39 N -1.29 1.14 -4.38 1.61 1.74 -1.26 -4.69 116.66 109.52 1za3 n ARG 39 Ca -0.04 -0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 1za3 n ARG 39 Cb 0.53 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.38 1za3 n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1za3 s ASP 40 N -5.13 1.24 -0.16 0.55 1.01 -1.26 -4.46 116.67 108.46 1za3 s ASP 40 Ca -0.09 -0.26 -0.07 0.00 0.71 0.00 0.00 52.55 52.84 1za3 s ASP 40 Cb 0.05 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 1za3 s ASP 40 CO 0.72 0.08 0.09 0.00 0.21 0.00 0.00 175.17 176.27 1za3 s ILE 42 N -0.07 1.47 0.51 0.00 1.01 0.66 -3.81 121.20 120.97 1za3 s ILE 42 Ca 0.08 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 1za3 s ILE 42 Cb -0.12 -1.36 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 1za3 s ILE 42 CO 0.01 0.44 1.14 -0.94 0.00 0.00 0.00 174.94 175.59 1za3 s SER 43 N 1.21 5.87 0.87 3.58 1.04 -1.26 -1.48 113.70 123.53 1za3 s SER 43 Ca -0.02 2.23 -0.11 0.00 0.48 0.00 0.00 55.95 58.53 1za3 s SER 43 Cb -0.14 -2.59 0.12 0.00 0.10 0.00 0.00 66.02 63.51 1za3 s SER 43 CO -0.05 -1.12 1.09 0.00 0.98 0.00 0.00 173.24 174.14 1za3 s LYS 45 N -4.90 3.72 -0.05 0.00 2.20 -1.26 -4.99 119.74 114.47 1za3 s LYS 45 Ca 0.63 -0.40 -0.33 0.00 -0.36 0.00 0.00 55.97 55.51 1za3 s LYS 45 Cb -0.18 -3.05 -0.11 0.00 -1.51 0.00 0.00 37.83 32.98 1za3 s LYS 45 CO 0.57 0.34 1.93 0.98 -0.36 0.00 0.00 175.35 178.81 1za3 n TYR 46 N 3.28 2.39 -1.26 4.03 4.19 -1.26 -2.39 117.16 126.14 1za3 n TYR 46 Ca -0.17 -0.15 -0.03 0.00 3.31 0.00 0.00 57.90 60.86 1za3 n TYR 46 Cb 0.53 -2.72 -0.01 0.00 0.49 0.00 0.00 39.34 37.63 1za3 n TYR 46 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1za3 n GLY 47 N 4.52 0.53 0.54 2.98 0.00 -1.26 -4.81 105.19 107.69 1za3 n GLY 47 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1za3 n GLY 47 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1za3 n GLN 48 N -2.62 0.00 -4.12 1.61 7.27 -1.01 -4.98 117.38 113.54 1za3 n GLN 48 Ca -0.03 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.93 1za3 n GLN 48 Cb 0.17 -0.72 -0.08 0.00 2.41 0.00 0.00 30.24 32.03 1za3 n GLN 48 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1za3 s ASP 49 N -4.49 0.16 0.04 1.69 1.47 -1.18 -2.51 116.67 111.86 1za3 s ASP 49 Ca 0.00 -1.23 -0.15 0.00 1.18 0.00 0.00 52.55 52.35 1za3 s ASP 49 Cb 0.00 0.49 0.03 0.00 -0.34 0.00 0.00 42.92 43.09 1za3 s ASP 49 CO 0.00 -1.00 0.34 -0.72 0.68 0.00 0.00 175.17 174.47 1za3 s TYR 50 N -4.00 -0.16 -0.02 2.11 1.13 -0.34 -4.27 117.35 111.79 1za3 s TYR 50 Ca 0.32 0.06 0.01 0.00 -1.41 0.00 0.00 57.07 56.05 1za3 s TYR 50 Cb 0.03 0.13 0.01 0.00 -1.10 0.00 0.00 41.96 41.04 1za3 s TYR 50 CO 0.12 -0.52 -0.03 0.45 -2.51 0.00 0.00 175.55 173.06 1za3 s SER 51 N -2.02 0.59 -0.06 -0.18 0.15 0.42 -0.91 113.70 111.70 1za3 s SER 51 Ca -0.05 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1za3 s SER 51 Cb -0.01 -0.22 -0.26 0.00 -1.71 0.00 0.00 66.02 63.82 1za3 s SER 51 CO -0.03 -0.03 0.62 0.71 1.20 0.00 0.00 173.24 175.71 1za3 h THR 52 N 5.78 0.86 -1.84 6.45 1.35 -1.82 -0.56 112.91 123.13 1za3 h THR 52 Ca -0.36 -2.60 -0.46 0.00 -0.55 0.00 0.00 66.41 62.44 1za3 h THR 52 Cb 1.16 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 70.13 1za3 h THR 52 CO 0.49 0.74 -0.38 -1.00 -0.25 0.00 0.00 175.52 175.12 1za3 s HIS 53 N -2.59 3.08 0.08 4.73 3.76 -1.26 -4.66 115.29 118.43 1za3 s HIS 53 Ca -0.12 -0.23 -0.31 0.00 -0.15 0.00 0.00 55.06 54.25 1za3 s HIS 53 Cb 0.07 -1.90 -0.08 0.00 1.11 0.00 0.00 32.58 31.78 1za3 s HIS 53 CO 0.81 0.08 1.54 -1.58 -0.85 0.00 0.00 174.74 174.75 1za3 s TRP 54 N -2.20 2.77 0.18 1.40 0.52 -1.26 -3.47 118.94 116.89 1za3 s TRP 54 Ca 0.43 0.59 -0.07 0.00 0.02 0.00 0.00 56.10 57.07 1za3 s TRP 54 Cb -0.08 -3.85 -0.02 0.00 -1.15 0.00 0.00 33.47 28.37 1za3 s TRP 54 CO 0.30 -3.24 0.26 0.54 0.02 0.00 0.00 176.95 174.83 1za3 s ASN 55 N 1.83 0.07 -0.30 2.95 2.20 -0.01 -4.88 114.94 116.81 1za3 s ASN 55 Ca 0.70 -1.03 0.10 0.00 -0.94 0.00 0.00 52.86 51.69 1za3 s ASN 55 Cb -0.38 0.43 0.46 0.00 -2.00 0.00 0.00 41.25 39.77 1za3 s ASN 55 CO 0.31 -0.91 1.16 -0.90 -2.94 0.00 0.00 177.10 173.81 1za3 n ASP 56 N -0.24 4.15 -4.79 3.54 5.75 -1.26 0.11 116.55 123.82 1za3 n ASP 56 Ca -0.04 -3.39 -0.36 0.00 -0.01 0.00 0.00 54.79 50.99 1za3 n ASP 56 Cb 0.63 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 1za3 n ASP 56 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1za3 s LEU 57 N -3.62 4.26 0.23 -2.12 1.43 -1.26 -4.78 118.68 112.82 1za3 s LEU 57 Ca 0.45 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1za3 s LEU 57 Cb 0.39 -4.10 0.23 0.00 0.03 0.00 0.00 46.19 42.74 1za3 s LEU 57 CO -0.00 -0.19 1.58 -0.07 0.23 0.00 0.00 176.35 177.90 1za3 h LEU 58 N 2.90 0.49 -7.60 1.79 4.07 -1.94 -1.93 115.31 113.09 1za3 h LEU 58 Ca -0.47 -0.24 -0.05 0.00 0.08 0.00 0.00 57.88 57.19 1za3 h LEU 58 Cb 1.19 -0.14 -0.12 0.00 1.08 0.00 0.00 40.66 42.67 1za3 h LEU 58 CO 0.64 0.89 -0.11 0.72 -1.08 0.00 0.00 178.44 179.50 1za3 s PHE 59 N -4.08 -0.06 0.79 1.13 -0.12 -1.26 -4.63 117.98 109.75 1za3 s PHE 59 Ca -0.06 -0.28 -0.12 0.00 -0.05 0.00 0.00 56.93 56.42 1za3 s PHE 59 Cb 0.12 0.21 0.07 0.00 -0.63 0.00 0.00 43.02 42.80 1za3 s PHE 59 CO 0.82 -0.74 1.13 0.00 -0.05 0.00 0.00 175.22 176.38 1za3 s LEU 61 N -5.86 4.20 -0.12 0.00 1.43 -0.09 -4.73 118.68 113.51 1za3 s LEU 61 Ca 0.66 1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 1za3 s LEU 61 Cb -0.21 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 1za3 s LEU 61 CO 0.53 -0.06 1.25 -0.60 0.23 0.00 0.00 176.35 177.70 1za3 s ARG 62 N -2.59 4.28 0.40 1.70 3.52 -1.26 -1.19 118.95 123.80 1za3 s ARG 62 Ca 0.46 1.68 -0.23 0.00 -0.13 0.00 0.00 55.73 57.51 1za3 s ARG 62 Cb -0.12 -3.68 -0.13 0.00 -1.56 0.00 0.00 34.95 29.46 1za3 s ARG 62 CO 0.20 -0.60 0.57 0.00 -0.81 0.00 0.00 175.30 174.66 1za3 s THR 64 N -1.41 4.96 -0.05 0.00 2.01 -1.26 -5.00 115.64 114.88 1za3 s THR 64 Ca 0.63 1.31 -0.26 0.00 0.31 0.00 0.00 61.69 63.68 1za3 s THR 64 Cb -0.63 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 1za3 s THR 64 CO 0.58 0.04 0.80 -0.13 -0.69 0.00 0.00 174.62 175.23 1za3 s ARG 65 N 2.27 4.47 0.42 4.92 0.52 -1.26 -4.72 118.95 125.57 1za3 s ARG 65 Ca 0.31 1.07 -0.25 0.00 -0.52 0.00 0.00 55.73 56.34 1za3 s ARG 65 Cb -0.16 -3.46 -0.08 0.00 0.52 0.00 0.00 34.95 31.78 1za3 s ARG 65 CO 0.10 0.01 1.19 0.00 0.02 0.00 0.00 175.30 176.61 1za3 s ASP 67 N -1.14 3.98 0.35 0.00 1.01 -1.26 -4.95 116.67 114.65 1za3 s ASP 67 Ca 0.59 0.49 0.04 0.00 0.71 0.00 0.00 52.55 54.39 1za3 s ASP 67 Cb -0.31 -0.82 0.65 0.00 1.01 0.00 0.00 42.92 43.44 1za3 s ASP 67 CO 0.39 -2.20 1.92 0.77 0.21 0.00 0.00 175.17 176.26 1za3 h SER 68 N -1.22 0.52 -1.40 0.27 4.64 -1.96 -2.69 113.55 111.73 1za3 h SER 68 Ca -0.45 -0.07 -0.71 0.00 -0.47 0.00 0.00 61.79 60.09 1za3 h SER 68 Cb 1.29 -0.14 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 1za3 h SER 68 CO 0.53 0.53 0.85 0.61 -0.87 0.00 0.00 176.83 178.48 1za3 n GLY 69 N -1.05 5.76 3.18 -0.77 0.00 -1.26 -4.95 105.19 106.11 1za3 n GLY 69 Ca 0.02 -2.40 -0.09 0.00 0.00 0.00 0.00 46.02 43.55 1za3 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1za3 s GLU 70 N -3.91 0.88 -0.03 1.61 2.02 -1.01 -4.12 118.70 114.13 1za3 s GLU 70 Ca 0.59 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1za3 s GLU 70 Cb 0.48 0.27 0.01 0.00 0.10 0.00 0.00 34.13 34.99 1za3 s GLU 70 CO -0.17 -0.26 -0.08 0.14 0.02 0.00 0.00 175.26 174.91 1za3 s VAL 71 N -3.98 0.75 -0.30 2.63 -7.23 0.40 -4.81 120.40 107.87 1za3 s VAL 71 Ca 0.16 -0.33 -0.28 0.00 -1.81 0.00 0.00 61.98 59.73 1za3 s VAL 71 Cb 0.06 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 1za3 s VAL 71 CO -0.03 0.24 2.22 -0.70 -0.31 0.00 0.00 175.10 176.53 1za3 s GLU 72 N 0.31 2.89 -0.04 4.82 2.12 -1.26 -2.18 118.70 125.35 1za3 s GLU 72 Ca -0.05 1.80 -0.26 0.00 0.36 0.00 0.00 54.97 56.82 1za3 s GLU 72 Cb -0.10 -4.41 -0.21 0.00 0.26 0.00 0.00 34.13 29.68 1za3 s GLU 72 CO 0.01 -2.38 1.16 1.25 -0.54 0.00 0.00 175.26 174.76 1za3 h LEU 73 N 16.08 -0.03 -8.14 2.70 6.46 -1.20 -3.46 115.31 127.73 1za3 h LEU 73 Ca -0.36 -0.54 -0.37 0.00 -0.12 0.00 0.00 57.88 56.49 1za3 h LEU 73 Cb 1.24 0.01 -0.26 0.00 -0.73 0.00 0.00 40.66 40.92 1za3 h LEU 73 CO 1.02 0.54 -0.77 -0.44 -0.62 0.00 0.00 178.44 178.16 1za3 s SER 74 N -5.73 1.14 0.66 1.25 0.01 -1.15 -4.99 113.70 104.90 1za3 s SER 74 Ca -0.16 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 1za3 s SER 74 Cb 0.01 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 1za3 s SER 74 CO 0.66 0.01 1.07 -2.16 0.41 0.00 0.00 173.24 173.22 1za3 s PRO 75 N -0.82 2.96 0.18 12.44 0.04 -1.26 -2.15 135.00 146.39 1za3 s PRO 75 Ca -0.00 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 1za3 s PRO 75 Cb -0.06 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1za3 s PRO 75 CO 0.00 -1.09 1.06 0.00 0.04 0.00 0.00 177.00 177.02 1za3 n THR 77 N 2.25 0.00 -0.04 0.00 -2.24 -0.12 -3.98 114.28 110.16 1za3 n THR 77 Ca 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1za3 n THR 77 Cb 0.47 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 1za3 n THR 77 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1za3 h THR 78 N 0.00 1.40 -0.71 4.28 1.35 -1.88 -3.32 112.91 114.03 1za3 h THR 78 Ca 0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1za3 h THR 78 Cb 0.00 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1za3 h THR 78 CO 0.00 0.47 0.00 0.35 -0.25 0.00 0.00 175.52 176.09 1za3 n THR 79 N -4.45 1.33 -3.66 6.82 -2.24 -1.26 -0.43 114.28 110.39 1za3 n THR 79 Ca -0.08 -1.07 -0.06 0.00 -2.27 0.00 0.00 64.05 60.58 1za3 n THR 79 Cb 0.47 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 1za3 n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1za3 s ARG 80 N -1.34 0.52 0.49 -0.78 3.52 -1.25 -4.36 118.95 115.75 1za3 s ARG 80 Ca 0.51 1.20 -0.16 0.00 -0.13 0.00 0.00 55.73 57.14 1za3 s ARG 80 Cb 0.29 0.42 -0.08 0.00 -1.56 0.00 0.00 34.95 34.02 1za3 s ARG 80 CO 0.30 -0.19 0.95 1.21 -0.81 0.00 0.00 175.30 176.76 1za3 s ASN 81 N 2.28 6.63 0.50 -2.12 3.04 -1.26 -0.94 114.94 123.07 1za3 s ASN 81 Ca -0.07 1.51 -0.23 0.00 0.04 0.00 0.00 52.86 54.12 1za3 s ASN 81 Cb -0.10 -2.48 -0.06 0.00 -1.54 0.00 0.00 41.25 37.07 1za3 s ASN 81 CO -0.17 -0.54 1.29 0.28 -3.04 0.00 0.00 177.10 174.92 1za3 s THR 82 N -2.55 2.46 -0.26 -5.21 -1.32 -1.26 -4.71 115.64 102.78 1za3 s THR 82 Ca 0.58 0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 61.34 1za3 s THR 82 Cb -0.10 -3.18 -0.02 0.00 -1.51 0.00 0.00 72.50 67.68 1za3 s THR 82 CO 0.30 0.00 0.09 -0.69 -2.21 0.00 0.00 174.62 172.11 1za3 s VAL 83 N -1.38 4.38 0.02 5.08 1.01 -0.92 -4.82 120.40 123.79 1za3 s VAL 83 Ca 0.67 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1za3 s VAL 83 Cb -0.36 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1za3 s VAL 83 CO 0.44 0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.91 1za3 s GLN 85 N -2.02 0.38 0.85 0.00 0.74 -0.93 -4.86 119.66 113.83 1za3 s GLN 85 Ca 0.26 0.68 -0.10 0.00 0.05 0.00 0.00 55.36 56.25 1za3 s GLN 85 Cb -0.12 0.03 0.11 0.00 1.10 0.00 0.00 33.01 34.12 1za3 s GLN 85 CO 0.18 -0.13 1.13 0.00 -0.55 0.00 0.00 175.29 175.92 1za3 s GLU 87 N -4.73 3.76 0.46 0.00 2.12 -1.26 -4.68 118.70 114.36 1za3 s GLU 87 Ca 0.65 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 56.38 1za3 s GLU 87 Cb -0.21 -2.24 -0.09 0.00 0.26 0.00 0.00 34.13 31.86 1za3 s GLU 87 CO 0.57 -0.25 1.23 -1.91 -0.54 0.00 0.00 175.26 174.35 1za3 n GLU 88 N -1.84 1.73 -0.59 4.30 2.13 -1.26 -2.27 120.64 122.84 1za3 n GLU 88 Ca 0.04 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1za3 n GLU 88 Cb 0.54 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1za3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1za3 n GLY 89 N 0.89 0.77 3.31 8.31 0.00 -1.26 -5.03 105.19 112.18 1za3 n GLY 89 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1za3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1za3 s THR 90 N -2.92 0.07 0.09 2.61 -4.23 -0.96 -1.01 115.64 109.28 1za3 s THR 90 Ca 0.00 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1za3 s THR 90 Cb 0.00 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1za3 s THR 90 CO 0.00 -0.31 0.07 2.22 -0.54 0.00 0.00 174.62 176.06 1za3 n PHE 91 N -0.20 -0.21 -3.87 3.99 -1.74 -0.97 -4.34 117.46 110.12 1za3 n PHE 91 Ca -0.07 -0.73 -0.09 0.00 -0.56 0.00 0.00 57.45 56.00 1za3 n PHE 91 Cb 0.63 0.08 -0.06 0.00 1.52 0.00 0.00 39.48 41.65 1za3 n PHE 91 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1za3 s ARG 92 N -2.35 1.17 0.34 3.97 0.52 -0.97 -3.15 118.95 118.48 1za3 s ARG 92 Ca 0.10 -1.04 -0.11 0.00 -0.52 0.00 0.00 55.73 54.17 1za3 s ARG 92 Cb 0.01 0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.92 1za3 s ARG 92 CO 0.07 -0.45 0.62 -1.83 0.02 0.00 0.00 175.30 173.74 1za3 s GLU 93 N -3.92 1.98 0.27 3.54 -1.05 -1.24 -4.49 118.70 113.79 1za3 s GLU 93 Ca 0.13 -1.49 -0.03 0.00 -0.15 0.00 0.00 54.97 53.43 1za3 s GLU 93 Cb 0.02 0.54 0.59 0.00 -0.44 0.00 0.00 34.13 34.84 1za3 s GLU 93 CO -0.03 -0.88 1.62 1.49 0.95 0.00 0.00 175.26 178.41 1za3 h GLU 94 N 2.08 0.10 -0.08 -4.83 4.81 -1.99 -0.26 114.58 114.40 1za3 h GLU 94 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1za3 h GLU 94 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1za3 h GLU 94 CO 0.38 0.06 0.00 -0.25 -0.73 0.00 0.00 179.01 178.47 1za3 n ASP 95 N -5.37 1.39 -3.06 1.04 8.00 -1.26 -4.20 116.55 113.09 1za3 n ASP 95 Ca 0.18 -1.55 -0.17 0.00 0.71 0.00 0.00 54.79 53.96 1za3 n ASP 95 Cb 0.60 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1za3 n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1za3 n SER 96 N 0.11 1.20 0.01 -2.24 3.41 -0.12 -4.91 113.62 111.08 1za3 n SER 96 Ca 0.18 -3.00 0.14 0.00 -0.26 0.00 0.00 58.87 55.93 1za3 n SER 96 Cb 0.31 -0.60 0.59 0.00 -0.26 0.00 0.00 64.21 64.25 1za3 n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1za3 n PRO 97 N 0.18 0.02 0.12 4.33 -0.04 -1.14 -3.70 135.00 134.76 1za3 n PRO 97 Ca 0.22 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 1za3 n PRO 97 Cb 0.68 -1.52 -0.15 0.00 -0.04 0.00 0.00 33.50 32.47 1za3 n PRO 97 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1za3 h GLU 98 N 0.00 0.39 -0.23 0.54 4.57 -1.90 -3.43 114.58 114.52 1za3 h GLU 98 Ca 0.00 -0.67 -0.21 0.00 -1.18 0.00 0.00 59.36 57.30 1za3 h GLU 98 Cb 0.51 0.25 -0.31 0.00 -0.16 0.00 0.00 28.75 29.05 1za3 h GLU 98 CO 0.00 1.32 -0.81 -0.12 -1.18 0.00 0.00 179.01 178.22 1za3 n MET 99 N -3.61 1.33 -0.17 1.92 1.56 -1.26 -4.73 117.12 112.15 1za3 n MET 99 Ca -0.13 -2.51 0.00 0.00 -0.27 0.00 0.00 57.70 54.79 1za3 n MET 99 Cb 1.06 -0.70 0.00 0.00 2.15 0.00 0.00 33.22 35.73 1za3 n MET 99 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1za3 s ARG 101 N -1.68 0.64 0.66 0.00 0.52 -1.19 -4.93 118.95 112.97 1za3 s ARG 101 Ca 0.00 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 54.83 1za3 s ARG 101 Cb 0.00 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 1za3 s ARG 101 CO 0.00 0.09 0.68 1.17 0.02 0.00 0.00 175.30 177.25 1za3 n LYS 102 N 3.22 0.50 -0.45 3.54 4.81 -1.26 -2.28 118.16 126.24 1za3 n LYS 102 Ca -0.17 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1za3 n LYS 102 Cb 0.56 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1za3 n LYS 102 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1za3 n ASP 116 N -1.90 0.37 -4.52 0.00 8.00 -1.26 -5.00 116.55 112.24 1za3 n ASP 116 Ca 0.00 0.70 -0.42 0.00 0.71 0.00 0.00 54.79 55.77 1za3 n ASP 116 Cb 0.00 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 39.68 1za3 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1za3 s THR 118 N 4.43 3.57 -0.68 0.00 -4.23 -1.10 -4.86 115.64 112.78 1za3 s THR 118 Ca 0.31 -0.82 0.14 0.00 -1.18 0.00 0.00 61.69 60.14 1za3 s THR 118 Cb -0.12 -3.27 0.14 0.00 1.34 0.00 0.00 72.50 70.59 1za3 s THR 118 CO 0.17 -0.14 1.44 -2.65 -0.54 0.00 0.00 174.62 172.90 1za3 n PRO 119 N -1.92 0.08 0.00 3.99 -0.02 -1.26 -2.96 135.00 132.91 1za3 n PRO 119 Ca 0.03 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 62.03 1za3 n PRO 119 Cb 0.58 -1.70 0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1za3 n PRO 119 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1za3 n TRP 120 N -1.86 0.00 -3.44 6.00 8.01 -1.26 -2.28 117.44 122.60 1za3 n TRP 120 Ca 0.01 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.09 1za3 n TRP 120 Cb 0.10 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.38 1za3 n TRP 120 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1za3 s SER 121 N -1.27 -0.53 0.77 -0.99 1.04 -1.15 -4.76 113.70 106.81 1za3 s SER 121 Ca 0.10 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 1za3 s SER 121 Cb 0.09 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.84 1za3 s SER 121 CO 0.23 -0.94 1.12 -0.62 0.98 0.00 0.00 173.24 174.01 1za3 s ASP 122 N -2.72 4.81 0.00 7.02 2.15 -1.26 -2.71 116.67 123.95 1za3 s ASP 122 Ca 0.02 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1za3 s ASP 122 Cb -0.01 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.87 1za3 s ASP 122 CO -0.12 -1.74 0.42 2.30 -0.17 0.00 0.00 175.17 175.86