#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g96 n PRO 8 N 0.00 1.14 -3.93 0.00 -0.02 -1.26 -4.81 135.00 126.11 3g96 n PRO 8 Ca 0.00 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.83 3g96 n PRO 8 Cb 0.00 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 30.86 3g96 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g96 s ASN 9 N -1.34 0.17 0.24 2.55 3.84 -1.26 -5.03 114.94 114.10 3g96 s ASN 9 Ca 0.82 -0.45 -0.05 0.00 0.21 0.00 0.00 52.86 53.39 3g96 s ASN 9 Cb -0.38 0.18 0.39 0.00 -0.55 0.00 0.00 41.25 40.89 3g96 s ASN 9 CO 0.41 -0.41 1.79 0.45 -2.79 0.00 0.00 177.10 176.54 3g96 h HIS 10 N 4.10 0.74 -3.10 0.43 3.86 -1.90 -3.41 115.15 115.86 3g96 h HIS 10 Ca -0.32 0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 58.32 3g96 h HIS 10 Cb 1.19 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 29.38 3g96 h HIS 10 CO 0.59 0.27 -0.23 0.99 0.86 0.00 0.00 177.93 180.40 3g96 s THR 11 N -6.03 5.15 0.02 2.45 2.01 -1.26 -1.66 115.64 116.31 3g96 s THR 11 Ca -0.12 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.66 3g96 s THR 11 Cb 0.19 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 3g96 s THR 11 CO 0.77 0.50 -0.01 0.27 -0.69 0.00 0.00 174.62 175.46 3g96 s ILE 12 N -0.44 4.04 -0.24 1.82 -4.36 -0.72 -2.47 121.20 118.83 3g96 s ILE 12 Ca 0.22 -0.72 -0.10 0.00 -0.26 0.00 0.00 60.65 59.80 3g96 s ILE 12 Cb -0.15 -2.82 -0.05 0.00 1.25 0.00 0.00 42.46 40.69 3g96 s ILE 12 CO 0.10 0.32 0.14 -0.47 0.24 0.00 0.00 174.94 175.27 3g96 s TYR 13 N -1.12 3.25 -0.18 1.37 5.04 0.16 -2.21 117.35 123.66 3g96 s TYR 13 Ca 0.21 0.08 -0.00 0.00 -2.44 0.00 0.00 57.07 54.91 3g96 s TYR 13 Cb -0.11 -2.26 0.01 0.00 0.35 0.00 0.00 41.96 39.95 3g96 s TYR 13 CO 0.12 -0.03 -0.14 0.42 -1.34 0.00 0.00 175.55 174.57 3g96 s ILE 14 N 1.17 2.58 0.20 3.14 1.01 0.67 -0.88 121.20 129.08 3g96 s ILE 14 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3g96 s ILE 14 Cb -0.14 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 3g96 s ILE 14 CO 0.05 0.50 0.05 -0.46 0.00 0.00 0.00 174.94 175.08 3g96 n ASN 15 N 4.49 1.50 -2.58 3.58 6.94 -0.03 0.31 115.26 129.47 3g96 n ASN 15 Ca -0.20 -2.01 -0.20 0.00 -0.02 0.00 0.00 54.58 52.15 3g96 n ASN 15 Cb 0.51 0.39 0.02 0.00 -2.36 0.00 0.00 39.78 38.34 3g96 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3g96 n ASN 16 N -1.63 -5.78 -4.91 0.53 5.15 -1.16 -2.19 115.26 105.27 3g96 n ASN 16 Ca -0.05 -0.16 -0.27 0.00 -0.60 0.00 0.00 54.58 53.50 3g96 n ASN 16 Cb 0.29 -4.69 -0.02 0.00 -0.53 0.00 0.00 39.78 34.84 3g96 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g96 s LEU 17 N -6.02 3.87 -0.15 1.20 1.43 -1.15 -4.53 118.68 113.33 3g96 s LEU 17 Ca 0.16 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 3g96 s LEU 17 Cb -0.07 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3g96 s LEU 17 CO 0.20 -0.38 1.60 0.21 0.23 0.00 0.00 176.35 178.22 3g96 s ASN 18 N -3.74 6.55 0.41 2.29 3.84 -1.26 -4.57 114.94 118.46 3g96 s ASN 18 Ca 0.45 1.88 0.27 0.00 0.21 0.00 0.00 52.86 55.67 3g96 s ASN 18 Cb -0.10 -2.53 0.87 0.00 -0.55 0.00 0.00 41.25 38.93 3g96 s ASN 18 CO 0.37 -1.08 1.78 -0.33 -2.79 0.00 0.00 177.10 175.05 3g96 h GLU 19 N 10.02 0.00 0.00 0.43 5.08 -1.95 -3.18 114.58 124.97 3g96 h GLU 19 Ca -0.35 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 3g96 h GLU 19 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3g96 h GLU 19 CO 0.98 0.00 -0.26 0.87 -1.00 0.00 0.00 179.01 179.60 3g96 h LYS 20 N 0.00 0.00 -6.46 2.33 6.56 -2.01 -3.45 116.57 113.55 3g96 h LYS 20 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 3g96 h LYS 20 Cb 0.70 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.35 3g96 h LYS 20 CO 0.00 0.26 0.44 0.42 -2.06 0.00 0.00 179.45 178.51 3g96 s ILE 21 N -3.76 4.49 0.91 1.86 1.09 -1.20 -5.02 121.20 119.57 3g96 s ILE 21 Ca -0.00 1.82 -0.11 0.00 -1.10 0.00 0.00 60.65 61.26 3g96 s ILE 21 Cb 0.11 -4.17 0.14 0.00 -1.06 0.00 0.00 42.46 37.48 3g96 s ILE 21 CO 0.65 0.16 1.11 -1.59 -0.10 0.00 0.00 174.94 175.16 3g96 s LYS 22 N 0.87 1.10 0.10 2.79 -2.85 -1.26 -4.83 119.74 115.67 3g96 s LYS 22 Ca 0.54 1.22 -0.28 0.00 -1.00 0.00 0.00 55.97 56.45 3g96 s LYS 22 Cb -0.25 -1.76 -0.10 0.00 -2.06 0.00 0.00 37.83 33.66 3g96 s LYS 22 CO 0.29 -2.47 1.64 -0.22 0.10 0.00 0.00 175.35 174.70 3g96 h LYS 23 N -1.73 -0.49 -0.32 1.78 3.11 -1.95 -2.74 116.57 114.23 3g96 h LYS 23 Ca -0.47 0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.29 3g96 h LYS 23 Cb 1.27 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.61 3g96 h LYS 23 CO 0.48 -0.33 -0.26 0.22 -2.81 0.00 0.00 179.45 176.75 3g96 h ASP 24 N -0.51 0.79 0.08 4.20 -0.00 -1.96 -2.75 116.42 116.26 3g96 h ASP 24 Ca 0.01 -0.45 -0.00 0.00 -0.00 0.00 0.00 57.03 56.59 3g96 h ASP 24 Cb 0.50 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.61 3g96 h ASP 24 CO -0.10 1.07 -0.04 -0.08 -0.00 0.00 0.00 179.24 180.09 3g96 h GLU 25 N 0.51 -0.10 -0.79 0.28 4.81 -1.95 -2.10 114.58 115.25 3g96 h GLU 25 Ca 0.06 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3g96 h GLU 25 Cb 0.82 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 3g96 h GLU 25 CO 0.07 -0.06 0.41 1.25 -0.73 0.00 0.00 179.01 179.94 3g96 h LEU 26 N -0.10 1.00 -0.56 1.64 5.85 -1.53 0.26 115.31 121.87 3g96 h LEU 26 Ca -0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3g96 h LEU 26 Cb 0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3g96 h LEU 26 CO 0.02 0.82 0.34 0.50 -0.34 0.00 0.00 178.44 179.78 3g96 h LYS 27 N 1.11 0.77 -0.04 1.25 3.64 -1.34 0.14 116.57 122.10 3g96 h LYS 27 Ca 0.28 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 3g96 h LYS 27 Cb 0.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3g96 h LYS 27 CO -0.04 0.55 -0.68 0.87 -2.27 0.00 0.00 179.45 177.88 3g96 h LYS 28 N 0.76 0.17 -0.04 1.90 1.57 -0.88 -2.71 116.57 117.35 3g96 h LYS 28 Ca 0.20 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 3g96 h LYS 28 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3g96 h LYS 28 CO -0.04 0.78 -0.70 0.77 -0.57 0.00 0.00 179.45 179.69 3g96 h SER 29 N 0.12 0.22 1.79 0.86 0.02 -0.10 -2.69 113.55 113.77 3g96 h SER 29 Ca -0.01 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3g96 h SER 29 Cb 1.21 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3g96 h SER 29 CO 0.10 0.85 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.36 3g96 h LEU 30 N 0.13 0.00 -0.08 5.07 3.38 -0.74 -3.04 115.31 120.02 3g96 h LEU 30 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g96 h LEU 30 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3g96 h LEU 30 CO 0.11 0.03 0.00 -0.74 0.09 0.00 0.00 178.44 177.93 3g96 h HIS 31 N 0.00 0.00 0.00 1.13 2.76 -1.37 -2.87 115.15 114.80 3g96 h HIS 31 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 3g96 h HIS 31 Cb 1.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.97 3g96 h HIS 31 CO 0.00 0.00 -0.36 0.00 -1.30 0.00 0.00 177.93 176.27 3g96 h ALA 32 N 2.21 1.17 0.00 5.26 0.00 -1.35 -3.24 119.26 123.31 3g96 h ALA 32 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 3g96 h ALA 32 Cb 0.86 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3g96 h ALA 32 CO 0.00 0.46 -2.04 -0.89 0.00 0.00 0.00 179.25 176.77 3g96 n ILE 33 N -3.78 1.05 1.30 0.00 5.41 -1.22 -4.58 119.36 117.54 3g96 n ILE 33 Ca -0.01 -0.41 0.07 0.00 1.00 0.00 0.00 62.75 63.40 3g96 n ILE 33 Cb 0.44 -1.14 0.27 0.00 -0.71 0.00 0.00 39.64 38.50 3g96 n ILE 33 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3g96 n PHE 34 N -3.03 0.25 0.10 1.39 3.72 -1.09 -3.82 117.46 114.99 3g96 n PHE 34 Ca -0.32 -0.13 -0.03 0.00 -0.05 0.00 0.00 57.45 56.92 3g96 n PHE 34 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 3g96 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g96 h SER 35 N 1.57 0.00 0.57 4.37 4.64 -1.77 -3.32 113.55 119.60 3g96 h SER 35 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3g96 h SER 35 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3g96 h SER 35 CO 0.00 0.80 -0.59 0.08 -0.87 0.00 0.00 176.83 176.24 3g96 h ARG 36 N 0.00 0.02 0.00 4.77 0.11 -1.89 -3.17 114.38 114.22 3g96 h ARG 36 Ca -0.01 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 3g96 h ARG 36 Cb 1.50 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.58 3g96 h ARG 36 CO 0.10 0.60 -0.11 0.74 0.10 0.00 0.00 179.97 181.41 3g96 h PHE 37 N 0.01 0.00 0.00 4.08 0.04 -1.82 -3.48 116.94 115.77 3g96 h PHE 37 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3g96 h PHE 37 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 3g96 h PHE 37 CO 0.00 0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.23 3g96 n GLY 38 N 0.27 -0.30 3.76 -1.45 0.00 -1.20 -4.49 105.19 101.79 3g96 n GLY 38 Ca 0.01 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 3g96 n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g96 s GLN 39 N -1.93 4.61 -0.07 1.61 -2.07 -1.26 -4.46 119.66 116.09 3g96 s GLN 39 Ca 0.00 1.67 -0.02 0.00 -1.82 0.00 0.00 55.36 55.19 3g96 s GLN 39 Cb 0.00 -3.09 -0.03 0.00 -1.09 0.00 0.00 33.01 28.79 3g96 s GLN 39 CO 0.00 0.23 0.02 0.42 -1.32 0.00 0.00 175.29 174.64 3g96 s ILE 40 N -1.26 4.44 -0.20 3.63 1.01 -1.26 -3.12 121.20 124.43 3g96 s ILE 40 Ca 0.46 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.72 3g96 s ILE 40 Cb -0.28 -2.90 -0.19 0.00 0.01 0.00 0.00 42.46 39.09 3g96 s ILE 40 CO 0.36 0.56 0.10 0.18 0.00 0.00 0.00 174.94 176.15 3g96 n LEU 41 N 1.97 2.21 -3.64 2.97 4.77 0.06 -4.98 117.00 120.36 3g96 n LEU 41 Ca -0.18 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3g96 n LEU 41 Cb 0.54 -0.98 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 3g96 n LEU 41 CO 0.30 0.56 0.45 -0.62 -1.33 0.00 0.00 177.39 176.75 3g96 s ASP 42 N -7.00 -0.80 -0.34 -1.43 -1.08 -1.26 -5.03 116.67 99.73 3g96 s ASP 42 Ca -0.30 1.31 -0.12 0.00 -0.52 0.00 0.00 52.55 52.93 3g96 s ASP 42 Cb 0.08 1.33 -0.01 0.00 -1.46 0.00 0.00 42.92 42.86 3g96 s ASP 42 CO 0.62 -0.21 0.21 -0.63 0.52 0.00 0.00 175.17 175.69 3g96 s ILE 43 N 1.39 5.01 -0.21 4.11 1.01 -1.26 -2.50 121.20 128.74 3g96 s ILE 43 Ca -0.08 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 3g96 s ILE 43 Cb -0.05 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3g96 s ILE 43 CO -0.16 -0.03 0.59 -0.76 0.00 0.00 0.00 174.94 174.58 3g96 s LEU 44 N 1.67 4.12 -0.06 2.97 1.02 -0.29 -4.96 118.68 123.14 3g96 s LEU 44 Ca 0.05 0.74 0.02 0.00 0.02 0.00 0.00 54.13 54.96 3g96 s LEU 44 Cb -0.18 -2.81 0.02 0.00 0.02 0.00 0.00 46.19 43.24 3g96 s LEU 44 CO 0.09 -0.26 -0.10 -0.69 0.02 0.00 0.00 176.35 175.41 3g96 s VAL 45 N 1.96 0.97 0.02 -1.59 1.01 -1.26 -2.54 120.40 118.97 3g96 s VAL 45 Ca 0.26 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3g96 s VAL 45 Cb -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3g96 s VAL 45 CO 0.10 0.32 -0.08 -0.55 0.00 0.00 0.00 175.10 174.89 3g96 s SER 46 N 0.84 0.86 -0.09 3.32 0.15 -1.26 -5.01 113.70 112.51 3g96 s SER 46 Ca -0.12 -0.37 0.13 0.00 0.70 0.00 0.00 55.95 56.29 3g96 s SER 46 Cb -0.15 -0.02 0.39 0.00 -1.71 0.00 0.00 66.02 64.53 3g96 s SER 46 CO 0.02 -0.08 1.31 -1.14 1.20 0.00 0.00 173.24 174.55 3g96 n ARG 47 N 2.06 2.83 -0.73 5.44 3.00 -1.26 -3.38 116.66 124.62 3g96 n ARG 47 Ca -0.19 -2.41 -0.23 0.00 -0.00 0.00 0.00 57.85 55.03 3g96 n ARG 47 Cb 0.56 -1.53 0.19 0.00 0.00 0.00 0.00 32.46 31.68 3g96 n ARG 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3g96 n SER 48 N -0.10 -2.02 -0.04 6.15 3.41 -1.26 -4.61 113.62 115.15 3g96 n SER 48 Ca 0.16 -0.97 -0.11 0.00 -0.26 0.00 0.00 58.87 57.68 3g96 n SER 48 Cb 0.64 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 3g96 n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3g96 h LEU 49 N 0.00 0.22 0.00 1.04 5.85 -1.98 -2.34 115.31 118.10 3g96 h LEU 49 Ca -0.31 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3g96 h LEU 49 Cb 0.96 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3g96 h LEU 49 CO 0.20 0.31 -0.52 0.29 -0.34 0.00 0.00 178.44 178.38 3g96 n LYS 50 N -4.87 0.07 0.00 1.25 4.01 -1.26 -4.33 118.16 113.02 3g96 n LYS 50 Ca -0.04 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.77 3g96 n LYS 50 Cb 0.11 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 3g96 n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3g96 n MET 51 N -1.64 -0.53 -2.14 1.97 2.81 -1.22 -5.05 117.12 111.32 3g96 n MET 51 Ca 0.05 -0.61 -0.33 0.00 -1.81 0.00 0.00 57.70 55.00 3g96 n MET 51 Cb 0.36 -0.99 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 3g96 n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3g96 s ARG 52 N -0.11 3.42 -1.68 0.03 1.70 -0.88 -3.54 118.95 117.88 3g96 s ARG 52 Ca 0.00 1.22 0.00 0.00 -0.47 0.00 0.00 55.73 56.48 3g96 s ARG 52 Cb 0.00 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.33 3g96 s ARG 52 CO 0.00 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 173.90 3g96 n GLY 53 N -0.89 -0.42 3.13 3.88 0.00 -1.26 -4.98 105.19 104.64 3g96 n GLY 53 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3g96 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g96 s GLN 54 N -4.97 0.72 -0.15 1.61 -0.21 -1.23 -2.94 119.66 112.48 3g96 s GLN 54 Ca 0.00 -1.11 -0.13 0.00 0.02 0.00 0.00 55.36 54.14 3g96 s GLN 54 Cb 0.00 -0.24 0.04 0.00 1.00 0.00 0.00 33.01 33.81 3g96 s GLN 54 CO 0.00 0.01 0.40 0.00 -2.12 0.00 0.00 175.29 173.58 3g96 s ALA 55 N -2.74 -0.99 -0.24 6.09 0.00 0.15 -4.53 121.76 119.49 3g96 s ALA 55 Ca 0.03 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3g96 s ALA 55 Cb -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3g96 s ALA 55 CO -0.03 -0.20 -0.11 -0.06 0.00 0.00 0.00 175.76 175.36 3g96 s PHE 56 N 0.32 3.07 -0.24 0.00 0.40 -1.05 -0.24 117.98 120.23 3g96 s PHE 56 Ca -0.01 -1.87 -0.05 0.00 -0.60 0.00 0.00 56.93 54.40 3g96 s PHE 56 Cb -0.03 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.51 3g96 s PHE 56 CO -0.01 -0.81 0.01 0.08 0.70 0.00 0.00 175.22 175.20 3g96 s VAL 57 N 1.23 3.73 -0.46 -0.44 1.01 -0.94 -1.14 120.40 123.39 3g96 s VAL 57 Ca -0.02 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3g96 s VAL 57 Cb -0.17 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.48 3g96 s VAL 57 CO -0.07 0.32 0.67 -0.63 0.00 0.00 0.00 175.10 175.40 3g96 s ILE 58 N 1.52 4.79 -0.13 2.22 1.01 -1.04 -1.75 121.20 127.81 3g96 s ILE 58 Ca 0.05 -0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 3g96 s ILE 58 Cb -0.15 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 3g96 s ILE 58 CO -0.00 -0.70 0.33 -0.36 0.00 0.00 0.00 174.94 174.20 3g96 s PHE 59 N 2.90 3.51 0.31 3.97 0.08 -0.66 -0.76 117.98 127.33 3g96 s PHE 59 Ca 0.22 0.68 0.14 0.00 0.12 0.00 0.00 56.93 58.09 3g96 s PHE 59 Cb -0.15 -2.34 0.65 0.00 -0.57 0.00 0.00 43.02 40.61 3g96 s PHE 59 CO 0.18 0.31 1.76 -0.22 -0.10 0.00 0.00 175.22 177.15 3g96 h LYS 60 N 6.34 0.00 -5.79 0.44 3.64 -1.84 -3.42 116.57 115.94 3g96 h LYS 60 Ca -0.43 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.28 3g96 h LYS 60 Cb 1.18 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 3g96 h LYS 60 CO 0.73 0.43 -0.59 -1.21 -2.27 0.00 0.00 179.45 176.54 3g96 s GLU 61 N -3.93 3.23 0.22 1.90 0.41 -1.26 -5.01 118.70 114.25 3g96 s GLU 61 Ca -0.02 -0.34 -0.02 0.00 -0.41 0.00 0.00 54.97 54.18 3g96 s GLU 61 Cb 0.13 -2.94 0.20 0.00 -1.78 0.00 0.00 34.13 29.74 3g96 s GLU 61 CO 0.72 0.65 1.58 0.28 -0.49 0.00 0.00 175.26 178.01 3g96 h VAL 62 N 4.24 1.30 0.00 2.63 2.07 -1.91 -2.83 116.25 121.75 3g96 h VAL 62 Ca -0.49 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 3g96 h VAL 62 Cb 1.20 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3g96 h VAL 62 CO 0.57 0.50 -0.17 -1.28 0.02 0.00 0.00 177.57 177.21 3g96 h SER 63 N 0.49 0.00 -0.57 0.57 0.87 -1.95 -2.07 113.55 110.90 3g96 h SER 63 Ca 0.04 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 3g96 h SER 63 Cb 0.91 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 3g96 h SER 63 CO 0.08 0.17 -0.06 0.28 -0.53 0.00 0.00 176.83 176.78 3g96 h SER 64 N 0.00 1.04 0.67 6.23 0.02 -1.73 -2.68 113.55 117.11 3g96 h SER 64 Ca -0.00 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.55 3g96 h SER 64 Cb 0.32 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3g96 h SER 64 CO 0.02 1.12 -0.38 0.00 -1.14 0.00 0.00 176.83 176.45 3g96 h ALA 65 N 0.97 1.10 -0.01 3.77 0.00 -1.32 -2.62 119.26 121.16 3g96 h ALA 65 Ca 0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3g96 h ALA 65 Cb 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3g96 h ALA 65 CO 0.04 0.47 -0.22 1.15 0.00 0.00 0.00 179.25 180.69 3g96 h THR 66 N 0.00 1.54 -0.10 0.00 2.02 -1.31 -2.88 112.91 112.19 3g96 h THR 66 Ca -0.00 -1.89 -0.05 0.00 0.77 0.00 0.00 66.41 65.24 3g96 h THR 66 Cb 0.82 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 3g96 h THR 66 CO 0.05 0.52 -0.18 0.78 0.37 0.00 0.00 175.52 177.05 3g96 h ASN 67 N -0.49 0.15 -0.38 4.18 2.35 -1.51 -1.61 115.58 118.26 3g96 h ASN 67 Ca -0.03 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3g96 h ASN 67 Cb 0.96 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 3g96 h ASN 67 CO 0.04 0.35 0.14 0.00 -1.65 0.00 0.00 177.43 176.31 3g96 h ALA 68 N 1.67 0.49 -0.50 -0.83 0.00 -1.52 -1.97 119.26 116.61 3g96 h ALA 68 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3g96 h ALA 68 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3g96 h ALA 68 CO 0.03 0.11 -0.19 1.25 0.00 0.00 0.00 179.25 180.44 3g96 h LEU 69 N 0.46 1.03 -1.18 0.00 6.46 -1.25 -0.70 115.31 120.13 3g96 h LEU 69 Ca 0.12 -0.38 -0.07 0.00 -0.12 0.00 0.00 57.88 57.43 3g96 h LEU 69 Cb 0.22 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 3g96 h LEU 69 CO -0.01 1.18 -0.24 0.03 -0.62 0.00 0.00 178.44 178.78 3g96 h ARG 70 N 0.87 0.27 0.02 1.25 3.08 -1.22 -3.04 114.38 115.61 3g96 h ARG 70 Ca 0.12 -0.09 -0.40 0.00 0.07 0.00 0.00 59.98 59.68 3g96 h ARG 70 Cb 0.77 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 3g96 h ARG 70 CO 0.06 0.50 -2.28 0.43 -1.07 0.00 0.00 179.97 177.61 3g96 n SER 71 N -4.17 1.98 -0.46 7.04 7.64 -0.75 -4.51 113.62 120.40 3g96 n SER 71 Ca -0.01 0.17 0.12 0.00 1.01 0.00 0.00 58.87 60.16 3g96 n SER 71 Cb 0.36 -0.70 0.47 0.00 -1.01 0.00 0.00 64.21 63.33 3g96 n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3g96 n MET 72 N -3.83 1.61 -1.92 1.43 2.81 -0.27 -4.81 117.12 112.14 3g96 n MET 72 Ca -0.46 -0.91 -0.42 0.00 -1.81 0.00 0.00 57.70 54.11 3g96 n MET 72 Cb 0.92 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.98 3g96 n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3g96 s GLN 73 N -1.89 4.21 0.00 0.03 2.00 -1.15 -2.57 119.66 120.29 3g96 s GLN 73 Ca 0.35 2.38 0.00 0.00 -2.00 0.00 0.00 55.36 56.09 3g96 s GLN 73 Cb 0.19 -3.14 0.00 0.00 0.80 0.00 0.00 33.01 30.86 3g96 s GLN 73 CO 0.29 -0.60 0.00 0.41 -0.50 0.00 0.00 175.29 174.89 3g96 n GLY 74 N 3.57 1.35 3.72 2.59 0.00 0.12 -4.94 105.19 111.60 3g96 n GLY 74 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3g96 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g96 s PHE 75 N -3.21 3.14 -0.42 1.61 2.19 -1.06 -4.07 117.98 116.15 3g96 s PHE 75 Ca 0.00 0.80 -0.29 0.00 0.33 0.00 0.00 56.93 57.78 3g96 s PHE 75 Cb 0.00 -3.81 0.01 0.00 -1.31 0.00 0.00 43.02 37.90 3g96 s PHE 75 CO 0.00 -2.91 1.47 -2.14 1.83 0.00 0.00 175.22 173.48 3g96 s PRO 76 N 0.95 3.50 -0.15 10.12 0.02 -1.26 -0.35 135.00 147.83 3g96 s PRO 76 Ca 0.67 0.96 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3g96 s PRO 76 Cb -0.41 -4.07 0.03 0.00 0.02 0.00 0.00 34.50 30.07 3g96 s PRO 76 CO 0.32 -1.66 -0.13 0.12 -0.33 0.00 0.00 177.00 175.32 3g96 s PHE 77 N 5.76 2.12 -1.25 6.54 5.36 0.19 -4.71 117.98 131.99 3g96 s PHE 77 Ca 0.63 -1.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.36 3g96 s PHE 77 Cb -0.15 -1.56 -0.01 0.00 -0.34 0.00 0.00 43.02 40.97 3g96 s PHE 77 CO 0.32 -0.66 0.78 0.66 -1.46 0.00 0.00 175.22 174.86 3g96 n TYR 78 N 4.78 -2.01 0.00 10.12 4.01 -1.26 -2.20 117.16 130.60 3g96 n TYR 78 Ca -0.16 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 3g96 n TYR 78 Cb 0.49 -4.41 0.00 0.00 -0.31 0.00 0.00 39.34 35.11 3g96 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3g96 n ASP 79 N -3.05 0.00 -4.48 7.72 9.92 -1.26 -4.67 116.55 120.72 3g96 n ASP 79 Ca -0.26 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.67 3g96 n ASP 79 Cb 0.66 -0.59 -0.13 0.00 -0.64 0.00 0.00 41.12 40.43 3g96 n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3g96 s LYS 80 N 0.00 3.35 0.23 -1.24 1.02 -0.93 -5.02 119.74 117.15 3g96 s LYS 80 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 3g96 s LYS 80 Cb 0.00 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 3g96 s LYS 80 CO 0.00 0.34 1.27 -1.25 -0.92 0.00 0.00 175.35 174.79 3g96 s PRO 81 N 0.06 4.43 0.22 -1.68 0.04 -1.26 0.53 135.00 137.33 3g96 s PRO 81 Ca -0.02 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 3g96 s PRO 81 Cb -0.14 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 3g96 s PRO 81 CO 0.03 -0.16 0.85 -1.64 0.04 0.00 0.00 177.00 176.12 3g96 s MET 82 N -0.59 4.63 -0.24 4.56 -1.94 0.53 -4.77 119.30 121.48 3g96 s MET 82 Ca 0.53 1.26 0.01 0.00 -1.71 0.00 0.00 55.69 55.79 3g96 s MET 82 Cb -0.36 -3.15 0.04 0.00 2.01 0.00 0.00 34.83 33.38 3g96 s MET 82 CO 0.41 0.49 -0.12 0.50 -0.01 0.00 0.00 175.02 176.29 3g96 s ARG 83 N -1.40 2.56 -0.11 2.03 3.52 -0.93 -0.70 118.95 123.91 3g96 s ARG 83 Ca 0.41 -1.14 0.03 0.00 -0.13 0.00 0.00 55.73 54.90 3g96 s ARG 83 Cb -0.23 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.33 3g96 s ARG 83 CO 0.27 -0.45 -0.21 0.42 -0.81 0.00 0.00 175.30 174.53 3g96 s ILE 84 N 1.20 1.88 0.25 4.11 1.01 -1.26 -0.85 121.20 127.54 3g96 s ILE 84 Ca -0.03 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3g96 s ILE 84 Cb -0.17 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3g96 s ILE 84 CO -0.07 0.52 -0.03 -1.10 0.00 0.00 0.00 174.94 174.26 3g96 s GLN 85 N 0.64 1.42 0.45 2.79 -0.21 -0.06 -4.99 119.66 119.70 3g96 s GLN 85 Ca -0.12 -1.72 -0.22 0.00 0.02 0.00 0.00 55.36 53.32 3g96 s GLN 85 Cb -0.16 -0.83 -0.08 0.00 1.00 0.00 0.00 33.01 32.94 3g96 s GLN 85 CO 0.03 -0.04 1.07 0.71 -2.12 0.00 0.00 175.29 174.94 3g96 s TYR 86 N -3.26 3.05 0.51 0.91 2.02 -1.26 0.38 117.35 119.69 3g96 s TYR 86 Ca 0.29 1.59 -0.21 0.00 -0.37 0.00 0.00 57.07 58.37 3g96 s TYR 86 Cb 0.05 -3.16 -0.06 0.00 -0.40 0.00 0.00 41.96 38.39 3g96 s TYR 86 CO 0.10 -0.93 1.15 0.00 -1.57 0.00 0.00 175.55 174.30 3g96 s ALA 87 N -1.77 2.80 0.06 3.71 0.00 -1.03 -4.63 121.76 120.89 3g96 s ALA 87 Ca 0.64 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 53.22 3g96 s ALA 87 Cb -0.21 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.36 3g96 s ALA 87 CO 0.26 -0.76 1.56 0.87 0.00 0.00 0.00 175.76 177.69 3g96 h LYS 88 N 1.52 -0.31 -5.83 0.00 6.56 -1.93 -3.45 116.57 113.12 3g96 h LYS 88 Ca -0.50 0.02 -0.57 0.00 -1.06 0.00 0.00 60.65 58.54 3g96 h LYS 88 Cb 1.26 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 32.85 3g96 h LYS 88 CO 0.58 -0.12 -0.69 0.95 -2.06 0.00 0.00 179.45 178.11 3g96 s THR 89 N -5.66 2.08 0.42 -0.16 -4.23 -1.26 -5.02 115.64 101.81 3g96 s THR 89 Ca -0.15 -2.21 -0.26 0.00 -1.18 0.00 0.00 61.69 57.89 3g96 s THR 89 Cb 0.04 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.29 3g96 s THR 89 CO 0.63 -0.28 1.31 -1.81 -0.54 0.00 0.00 174.62 173.93 3g96 s ASP 90 N -3.53 6.23 0.98 3.99 1.01 -1.26 -4.93 116.67 119.16 3g96 s ASP 90 Ca 0.31 2.66 -0.13 0.00 0.71 0.00 0.00 52.55 56.11 3g96 s ASP 90 Cb 0.02 -2.64 0.18 0.00 1.01 0.00 0.00 42.92 41.49 3g96 s ASP 90 CO 0.14 -0.90 1.11 -0.44 0.21 0.00 0.00 175.17 175.29 3g96 s SER 91 N -0.75 2.81 0.03 0.27 0.01 -1.26 -4.79 113.70 110.02 3g96 s SER 91 Ca 0.58 1.08 0.23 0.00 1.31 0.00 0.00 55.95 59.15 3g96 s SER 91 Cb -0.38 -1.71 0.95 0.00 0.21 0.00 0.00 66.02 65.09 3g96 s SER 91 CO 0.49 -3.00 1.72 0.47 0.41 0.00 0.00 173.24 173.33 3g96 n ASP 92 N -4.08 0.11 0.01 2.44 9.92 -1.26 -1.62 116.55 122.08 3g96 n ASP 92 Ca 0.06 0.52 0.03 0.00 -0.53 0.00 0.00 54.79 54.87 3g96 n ASP 92 Cb 0.58 -0.55 -0.10 0.00 -0.64 0.00 0.00 41.12 40.41 3g96 n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g96 n ILE 93 N -1.61 0.81 -0.09 0.53 3.06 -1.26 -3.75 119.36 117.04 3g96 n ILE 93 Ca 0.05 -0.64 -0.19 0.00 -2.50 0.00 0.00 62.75 59.47 3g96 n ILE 93 Cb 0.27 -0.43 -0.13 0.00 0.54 0.00 0.00 39.64 39.90 3g96 n ILE 93 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3g96 n ILE 94 N -2.66 1.58 -0.03 9.51 2.08 -1.18 -4.52 119.36 124.13 3g96 n ILE 94 Ca -0.10 -0.59 -0.12 0.00 0.56 0.00 0.00 62.75 62.50 3g96 n ILE 94 Cb 0.77 -1.52 -0.06 0.00 -0.75 0.00 0.00 39.64 38.07 3g96 n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g96 h ALA 95 N 0.00 0.17 0.00 -1.39 0.00 -1.53 -3.50 119.26 113.01 3g96 h ALA 95 Ca -0.54 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3g96 h ALA 95 Cb 1.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3g96 h ALA 95 CO -0.04 -0.19 0.00 0.36 0.00 0.00 0.00 179.25 179.37