#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g96 s PRO 8 N 0.00 3.15 0.03 0.00 0.02 -1.26 -4.85 135.00 132.09 3g96 s PRO 8 Ca 0.00 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 62.72 3g96 s PRO 8 Cb 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 3g96 s PRO 8 CO 0.00 -1.04 -0.01 1.21 -0.33 0.00 0.00 177.00 176.83 3g96 s ASN 9 N -1.71 0.31 0.37 2.53 3.84 -1.26 -5.03 114.94 113.98 3g96 s ASN 9 Ca 0.75 -0.65 0.11 0.00 0.21 0.00 0.00 52.86 53.27 3g96 s ASN 9 Cb -0.27 0.15 0.88 0.00 -0.55 0.00 0.00 41.25 41.45 3g96 s ASN 9 CO 0.30 -0.41 1.86 0.45 -2.79 0.00 0.00 177.10 176.51 3g96 h HIS 10 N 4.09 0.76 -3.09 0.43 3.86 -1.92 -3.42 115.15 115.86 3g96 h HIS 10 Ca -0.33 0.02 -0.61 0.00 -1.16 0.00 0.00 60.37 58.30 3g96 h HIS 10 Cb 1.19 -0.24 -0.08 0.00 1.06 0.00 0.00 27.41 29.34 3g96 h HIS 10 CO 0.61 0.26 -0.31 0.99 0.86 0.00 0.00 177.93 180.33 3g96 s THR 11 N -5.63 5.26 -0.20 2.45 2.01 -1.26 -3.16 115.64 115.11 3g96 s THR 11 Ca -0.10 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.41 3g96 s THR 11 Cb 0.22 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3g96 s THR 11 CO 0.79 0.49 0.05 0.27 -0.69 0.00 0.00 174.62 175.53 3g96 s ILE 12 N -0.26 4.51 -0.11 1.82 -4.36 -0.96 -0.90 121.20 120.94 3g96 s ILE 12 Ca 0.19 -0.12 -0.21 0.00 -0.26 0.00 0.00 60.65 60.24 3g96 s ILE 12 Cb -0.14 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 3g96 s ILE 12 CO 0.07 0.42 0.61 -0.47 0.24 0.00 0.00 174.94 175.80 3g96 s TYR 13 N 0.82 3.52 -0.04 1.37 5.04 0.18 -2.17 117.35 126.06 3g96 s TYR 13 Ca 0.03 1.07 0.06 0.00 -2.44 0.00 0.00 57.07 55.79 3g96 s TYR 13 Cb -0.14 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.44 3g96 s TYR 13 CO 0.02 0.08 -0.23 0.42 -1.34 0.00 0.00 175.55 174.50 3g96 s ILE 14 N 0.90 2.32 0.36 3.14 1.01 -0.12 -0.34 121.20 128.48 3g96 s ILE 14 Ca 0.32 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3g96 s ILE 14 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3g96 s ILE 14 CO 0.14 0.58 0.23 0.54 0.00 0.00 0.00 174.94 176.42 3g96 s ASN 15 N -0.45 2.13 -1.15 3.58 4.22 -0.81 -1.27 114.94 121.19 3g96 s ASN 15 Ca 0.05 -1.74 -0.00 0.00 -2.14 0.00 0.00 52.86 49.02 3g96 s ASN 15 Cb -0.12 0.57 0.00 0.00 1.28 0.00 0.00 41.25 42.98 3g96 s ASN 15 CO 0.01 -1.03 0.05 -3.20 -2.04 0.00 0.00 177.10 170.90 3g96 n ASN 16 N -1.50 -4.26 -4.84 3.54 5.15 -0.91 -2.69 115.26 109.75 3g96 n ASN 16 Ca 0.02 -0.04 -0.32 0.00 -0.60 0.00 0.00 54.58 53.65 3g96 n ASN 16 Cb 0.63 -3.40 -0.01 0.00 -0.53 0.00 0.00 39.78 36.48 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 -4.01 3.46 -0.11 1.20 1.43 -0.79 -4.66 118.68 115.20 3g96 s LEU 17 Ca 0.03 1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 3g96 s LEU 17 Cb -0.01 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 3g96 s LEU 17 CO 0.03 -0.82 1.74 0.21 0.23 0.00 0.00 176.35 177.74 3g96 s ASN 18 N -3.38 6.43 0.24 2.29 3.84 -1.26 -4.57 114.94 118.53 3g96 s ASN 18 Ca 0.59 2.06 0.25 0.00 0.21 0.00 0.00 52.86 55.96 3g96 s ASN 18 Cb -0.11 -2.53 0.90 0.00 -0.55 0.00 0.00 41.25 38.96 3g96 s ASN 18 CO 0.40 -1.15 1.75 -0.62 -2.79 0.00 0.00 177.10 174.69 3g96 n GLU 19 N 7.51 0.23 0.06 0.43 1.02 -1.26 -3.32 120.64 125.32 3g96 n GLU 19 Ca 0.19 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.78 3g96 n GLU 19 Cb 0.44 -1.84 0.48 0.00 -0.02 0.00 0.00 31.44 30.49 3g96 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3g96 n LYS 20 N -2.26 0.12 -3.28 3.49 4.01 -1.26 -4.82 118.16 114.16 3g96 n LYS 20 Ca 0.04 0.18 -0.38 0.00 -0.51 0.00 0.00 58.31 57.64 3g96 n LYS 20 Cb 0.33 -1.67 -0.06 0.00 -0.51 0.00 0.00 35.03 33.12 3g96 n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3g96 s ILE 21 N -3.09 5.07 0.77 -0.18 1.09 -1.21 -5.06 121.20 118.60 3g96 s ILE 21 Ca 0.10 1.07 -0.11 0.00 -1.10 0.00 0.00 60.65 60.60 3g96 s ILE 21 Cb 0.14 -3.86 0.06 0.00 -1.06 0.00 0.00 42.46 37.74 3g96 s ILE 21 CO 0.49 0.38 1.11 -1.59 -0.10 0.00 0.00 174.94 175.23 3g96 s LYS 22 N 0.18 2.15 0.12 2.79 -2.85 -1.26 -4.78 119.74 116.09 3g96 s LYS 22 Ca 0.28 1.30 -0.28 0.00 -1.00 0.00 0.00 55.97 56.27 3g96 s LYS 22 Cb -0.16 -1.88 -0.07 0.00 -2.06 0.00 0.00 37.83 33.66 3g96 s LYS 22 CO 0.13 -1.74 1.61 -0.22 0.10 0.00 0.00 175.35 175.23 3g96 h LYS 23 N -0.99 -0.50 -0.15 1.78 3.11 -1.97 -1.61 116.57 116.24 3g96 h LYS 23 Ca -0.44 0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.29 3g96 h LYS 23 Cb 1.24 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.58 3g96 h LYS 23 CO 0.50 -0.33 -0.51 0.22 -2.81 0.00 0.00 179.45 176.51 3g96 h ASP 24 N -0.52 0.46 -0.33 4.20 3.58 -1.97 -1.44 116.42 120.40 3g96 h ASP 24 Ca 0.05 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.23 3g96 h ASP 24 Cb 0.59 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3g96 h ASP 24 CO -0.25 0.89 0.06 -0.08 -2.88 0.00 0.00 179.24 176.98 3g96 h GLU 25 N 0.33 0.55 -0.72 0.28 4.81 -1.89 -1.89 114.58 116.04 3g96 h GLU 25 Ca 0.01 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 3g96 h GLU 25 Cb 1.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3g96 h GLU 25 CO 0.09 0.62 0.23 1.25 -0.73 0.00 0.00 179.01 180.47 3g96 h LEU 26 N 0.38 1.05 -1.21 1.64 5.85 -1.21 -0.93 115.31 120.88 3g96 h LEU 26 Ca 0.10 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3g96 h LEU 26 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3g96 h LEU 26 CO 0.00 0.97 0.35 0.50 -0.34 0.00 0.00 178.44 179.93 3g96 h LYS 27 N 1.06 0.90 0.20 1.25 3.64 -1.10 -2.52 116.57 120.00 3g96 h LYS 27 Ca 0.23 -0.10 -0.33 0.00 -1.27 0.00 0.00 60.65 59.19 3g96 h LYS 27 Cb 0.29 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3g96 h LYS 27 CO -0.01 0.66 -1.55 0.87 -2.27 0.00 0.00 179.45 177.15 3g96 h LYS 28 N 0.91 0.42 0.00 1.90 1.57 -1.15 -3.25 116.57 116.96 3g96 h LYS 28 Ca 0.23 -0.71 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3g96 h LYS 28 Cb 0.03 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3g96 h LYS 28 CO -0.04 1.34 -0.12 0.77 -0.57 0.00 0.00 179.45 180.83 3g96 h SER 29 N 0.03 0.00 0.58 0.86 0.02 -1.14 -1.34 113.55 112.56 3g96 h SER 29 Ca -0.30 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 3g96 h SER 29 Cb 2.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.57 3g96 h SER 29 CO 0.19 0.12 -0.76 -0.07 -1.14 0.00 0.00 176.83 175.17 3g96 h LEU 30 N 0.00 0.17 -0.72 5.07 3.38 -1.57 -3.19 115.31 118.45 3g96 h LEU 30 Ca -0.00 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3g96 h LEU 30 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3g96 h LEU 30 CO 0.02 0.87 -0.59 -0.74 0.09 0.00 0.00 178.44 178.09 3g96 h HIS 31 N 0.09 0.21 -0.95 1.13 2.76 -1.31 -2.14 115.15 114.94 3g96 h HIS 31 Ca -0.02 -0.08 0.16 0.00 -2.20 0.00 0.00 60.37 58.23 3g96 h HIS 31 Cb 1.34 -0.04 -0.08 0.00 1.55 0.00 0.00 27.41 30.18 3g96 h HIS 31 CO 0.02 0.71 0.60 0.00 -1.30 0.00 0.00 177.93 177.96 3g96 h ALA 32 N 1.27 1.80 0.01 5.26 0.00 -1.33 -2.49 119.26 123.78 3g96 h ALA 32 Ca -0.00 0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.56 3g96 h ALA 32 Cb 1.07 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3g96 h ALA 32 CO 0.09 -0.09 -2.09 -0.89 0.00 0.00 0.00 179.25 176.27 3g96 n ILE 33 N -4.62 1.54 0.79 0.00 5.41 -1.19 -4.53 119.36 116.76 3g96 n ILE 33 Ca 0.20 -0.30 0.10 0.00 1.00 0.00 0.00 62.75 63.74 3g96 n ILE 33 Cb 0.52 -1.88 0.46 0.00 -0.71 0.00 0.00 39.64 38.03 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 -4.17 0.00 0.22 1.39 3.72 -0.81 -3.23 117.46 114.57 3g96 n PHE 34 Ca -0.45 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.02 3g96 n PHE 34 Cb 0.84 -0.44 0.49 0.00 -0.94 0.00 0.00 39.48 39.43 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 0.00 0.00 -0.17 4.37 4.64 -1.68 -3.06 113.55 117.65 3g96 h SER 35 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3g96 h SER 35 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3g96 h SER 35 CO 0.00 0.27 -0.06 0.08 -0.87 0.00 0.00 176.83 176.26 3g96 h ARG 36 N 0.00 0.48 0.00 4.77 0.11 -1.84 -3.04 114.38 114.86 3g96 h ARG 36 Ca -0.00 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.96 3g96 h ARG 36 Cb 0.60 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.62 3g96 h ARG 36 CO 0.04 0.55 0.00 0.74 0.10 0.00 0.00 179.97 181.40 3g96 h PHE 37 N 0.45 0.00 0.00 4.08 0.04 -1.78 -3.48 116.94 116.25 3g96 h PHE 37 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3g96 h PHE 37 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 3g96 h PHE 37 CO 0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.13 3g96 n GLY 38 N 0.46 -0.78 3.77 -1.45 0.00 -1.15 -4.36 105.19 101.68 3g96 n GLY 38 Ca 0.03 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.00 4.30 -0.20 1.61 -2.07 -1.26 -4.56 119.66 115.47 3g96 s GLN 39 Ca 0.00 0.74 -0.06 0.00 -1.82 0.00 0.00 55.36 54.22 3g96 s GLN 39 Cb 0.00 -3.32 -0.03 0.00 -1.09 0.00 0.00 33.01 28.57 3g96 s GLN 39 CO 0.00 0.42 0.03 0.42 -1.32 0.00 0.00 175.29 174.84 3g96 s ILE 40 N -0.37 4.22 0.07 3.63 1.01 -1.26 -2.74 121.20 125.75 3g96 s ILE 40 Ca 0.31 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 3g96 s ILE 40 Cb -0.19 -2.92 -0.28 0.00 0.01 0.00 0.00 42.46 39.09 3g96 s ILE 40 CO 0.18 0.42 1.14 -0.07 0.00 0.00 0.00 174.94 176.60 3g96 h LEU 41 N 7.44 0.77 -7.00 2.97 3.38 -0.37 -3.48 115.31 119.02 3g96 h LEU 41 Ca -0.36 -0.71 0.18 0.00 0.09 0.00 0.00 57.88 57.08 3g96 h LEU 41 Cb 1.18 -0.24 -0.26 0.00 0.09 0.00 0.00 40.66 41.43 3g96 h LEU 41 CO 0.62 1.52 0.79 -0.62 0.09 0.00 0.00 178.44 180.84 3g96 s ASP 42 N -7.34 -0.17 -0.35 -0.43 -1.08 -1.26 -5.04 116.67 101.00 3g96 s ASP 42 Ca -0.08 0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 52.12 3g96 s ASP 42 Cb 0.06 0.14 0.08 0.00 -1.46 0.00 0.00 42.92 41.74 3g96 s ASP 42 CO 0.92 -0.16 0.09 -0.63 0.52 0.00 0.00 175.17 175.91 3g96 s ILE 43 N -1.05 3.06 -0.23 4.11 1.01 -1.26 -2.16 121.20 124.67 3g96 s ILE 43 Ca 0.05 -1.73 -0.27 0.00 0.00 0.00 0.00 60.65 58.69 3g96 s ILE 43 Cb -0.01 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3g96 s ILE 43 CO -0.04 -0.38 0.96 -0.76 0.00 0.00 0.00 174.94 174.72 3g96 s LEU 44 N 1.18 4.09 -0.05 2.97 1.02 0.76 -4.89 118.68 123.77 3g96 s LEU 44 Ca 0.02 1.25 0.00 0.00 0.02 0.00 0.00 54.13 55.42 3g96 s LEU 44 Cb -0.21 -3.40 0.02 0.00 0.02 0.00 0.00 46.19 42.62 3g96 s LEU 44 CO -0.03 -0.61 -0.02 -0.69 0.02 0.00 0.00 176.35 175.02 3g96 s VAL 45 N 3.05 0.39 -0.03 -1.59 1.01 -1.26 -1.12 120.40 120.86 3g96 s VAL 45 Ca 0.40 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.41 3g96 s VAL 45 Cb -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3g96 s VAL 45 CO 0.07 0.21 -0.11 -0.55 0.00 0.00 0.00 175.10 174.71 3g96 s SER 46 N 1.19 1.46 -0.26 3.32 0.15 -1.26 -5.05 113.70 113.25 3g96 s SER 46 Ca -0.07 -0.23 0.13 0.00 0.70 0.00 0.00 55.95 56.48 3g96 s SER 46 Cb -0.14 -0.39 0.65 0.00 -1.71 0.00 0.00 66.02 64.44 3g96 s SER 46 CO -0.02 0.09 1.63 -1.14 1.20 0.00 0.00 173.24 175.00 3g96 n ARG 47 N 3.24 3.34 -1.12 5.44 0.63 -1.26 -2.98 116.66 123.95 3g96 n ARG 47 Ca -0.18 -3.04 -0.29 0.00 -0.92 0.00 0.00 57.85 53.43 3g96 n ARG 47 Cb 0.54 -2.05 0.19 0.00 0.45 0.00 0.00 32.46 31.60 3g96 n ARG 47 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3g96 s SER 48 N -1.52 2.21 0.12 6.15 1.04 -1.26 -4.66 113.70 115.78 3g96 s SER 48 Ca 0.49 1.10 -0.22 0.00 0.48 0.00 0.00 55.95 57.81 3g96 s SER 48 Cb 0.40 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 3g96 s SER 48 CO 0.10 -3.38 1.69 0.25 0.98 0.00 0.00 173.24 172.88 3g96 h LEU 49 N -2.06 -0.31 -0.16 2.42 5.85 -1.98 -0.88 115.31 118.19 3g96 h LEU 49 Ca -0.54 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3g96 h LEU 49 Cb 1.33 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.52 3g96 h LEU 49 CO 0.55 -0.13 0.00 0.29 -0.34 0.00 0.00 178.44 178.80 3g96 n LYS 50 N -5.24 0.13 -0.00 1.25 4.01 -1.26 -3.95 118.16 113.10 3g96 n LYS 50 Ca -0.03 0.21 0.01 0.00 -0.51 0.00 0.00 58.31 57.99 3g96 n LYS 50 Cb 0.16 -1.68 -0.02 0.00 -0.51 0.00 0.00 35.03 32.98 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 -1.91 4.83 -1.63 1.97 2.81 -1.01 -5.06 117.12 117.12 3g96 n MET 51 Ca 0.05 -0.01 -0.35 0.00 -1.81 0.00 0.00 57.70 55.58 3g96 n MET 51 Cb 0.31 -0.73 0.07 0.00 -0.71 0.00 0.00 33.22 32.17 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 -1.47 2.44 -0.49 0.03 1.70 -0.37 -3.02 118.95 117.76 3g96 s ARG 52 Ca 0.01 1.80 0.00 0.00 -0.47 0.00 0.00 55.73 57.06 3g96 s ARG 52 Cb 0.02 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.54 3g96 s ARG 52 CO 0.13 -1.62 0.00 0.41 -1.08 0.00 0.00 175.30 173.14 3g96 n GLY 53 N 0.44 0.67 3.18 3.88 0.00 -1.26 -4.97 105.19 107.13 3g96 n GLY 53 Ca 0.14 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.82 0.87 0.05 1.61 -0.21 -1.17 -1.89 119.66 117.10 3g96 s GLN 54 Ca 0.00 -1.22 -0.16 0.00 0.02 0.00 0.00 55.36 54.00 3g96 s GLN 54 Cb 0.00 -0.49 0.03 0.00 1.00 0.00 0.00 33.01 33.55 3g96 s GLN 54 CO 0.00 0.06 0.36 0.00 -2.12 0.00 0.00 175.29 173.59 3g96 s ALA 55 N -2.75 -0.84 -0.14 6.09 0.00 -0.40 -4.51 121.76 119.21 3g96 s ALA 55 Ca 0.08 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3g96 s ALA 55 Cb -0.01 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.50 3g96 s ALA 55 CO -0.01 -0.45 -0.16 -0.06 0.00 0.00 0.00 175.76 175.08 3g96 s PHE 56 N -2.65 2.23 -0.18 0.00 0.40 -0.27 -0.94 117.98 116.55 3g96 s PHE 56 Ca -0.04 -1.18 -0.05 0.00 -0.60 0.00 0.00 56.93 55.06 3g96 s PHE 56 Cb -0.00 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 3g96 s PHE 56 CO -0.04 -0.61 0.01 0.08 0.70 0.00 0.00 175.22 175.36 3g96 s VAL 57 N 1.21 4.21 -0.47 -0.44 1.01 -0.92 -0.17 120.40 124.83 3g96 s VAL 57 Ca -0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 3g96 s VAL 57 Cb -0.14 -2.89 0.12 0.00 0.00 0.00 0.00 36.38 33.47 3g96 s VAL 57 CO -0.07 0.45 0.35 -0.63 0.00 0.00 0.00 175.10 175.20 3g96 s ILE 58 N 0.65 4.24 0.10 2.22 1.01 -0.92 -2.26 121.20 126.25 3g96 s ILE 58 Ca 0.00 -1.78 -0.15 0.00 0.00 0.00 0.00 60.65 58.72 3g96 s ILE 58 Cb -0.14 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 3g96 s ILE 58 CO 0.02 -0.78 0.52 -0.36 0.00 0.00 0.00 174.94 174.34 3g96 s PHE 59 N 1.37 3.67 0.18 3.97 0.08 -1.19 0.44 117.98 126.50 3g96 s PHE 59 Ca 0.06 1.07 -0.05 0.00 0.12 0.00 0.00 56.93 58.13 3g96 s PHE 59 Cb -0.26 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 39.90 3g96 s PHE 59 CO -0.01 0.50 1.50 -0.22 -0.10 0.00 0.00 175.22 176.90 3g96 h LYS 60 N 3.95 0.66 -6.05 0.44 3.64 -1.82 -3.43 116.57 113.96 3g96 h LYS 60 Ca -0.49 -0.39 -0.68 0.00 -1.27 0.00 0.00 60.65 57.81 3g96 h LYS 60 Cb 1.20 0.04 -0.22 0.00 -0.41 0.00 0.00 32.23 32.84 3g96 h LYS 60 CO 0.65 1.01 -0.73 -1.21 -2.27 0.00 0.00 179.45 176.90 3g96 s GLU 61 N -4.12 2.80 0.39 1.90 0.41 -1.26 -5.01 118.70 113.81 3g96 s GLU 61 Ca -0.08 -0.62 0.05 0.00 -0.41 0.00 0.00 54.97 53.91 3g96 s GLU 61 Cb 0.11 -2.54 0.78 0.00 -1.78 0.00 0.00 34.13 30.70 3g96 s GLU 61 CO 0.85 0.56 2.03 0.28 -0.49 0.00 0.00 175.26 178.50 3g96 h VAL 62 N 4.49 1.12 -1.01 2.63 2.07 -1.89 -1.66 116.25 121.99 3g96 h VAL 62 Ca -0.44 -0.23 0.25 0.00 0.82 0.00 0.00 66.70 67.10 3g96 h VAL 62 Cb 1.17 0.38 -0.12 0.00 -1.52 0.00 0.00 31.29 31.21 3g96 h VAL 62 CO 0.53 0.12 0.61 -1.28 0.02 0.00 0.00 177.57 177.57 3g96 h SER 63 N 0.67 0.63 -0.20 0.57 0.87 -1.95 0.48 113.55 114.63 3g96 h SER 63 Ca 0.19 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.79 3g96 h SER 63 Cb -0.04 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3g96 h SER 63 CO -0.04 0.09 -0.23 0.28 -0.53 0.00 0.00 176.83 176.40 3g96 h SER 64 N 0.54 0.55 -0.39 6.23 0.02 -1.50 -2.39 113.55 116.60 3g96 h SER 64 Ca 0.64 -0.50 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3g96 h SER 64 Cb 1.30 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3g96 h SER 64 CO -0.45 0.93 -0.22 0.00 -1.14 0.00 0.00 176.83 175.95 3g96 h ALA 65 N 0.63 0.77 -0.42 3.77 0.00 -1.22 -1.08 119.26 121.72 3g96 h ALA 65 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3g96 h ALA 65 Cb 0.79 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3g96 h ALA 65 CO 0.06 0.66 0.27 1.15 0.00 0.00 0.00 179.25 181.39 3g96 h THR 66 N 0.78 1.10 -0.05 0.00 2.02 -0.12 -2.31 112.91 114.33 3g96 h THR 66 Ca 0.10 -0.19 -0.18 0.00 0.77 0.00 0.00 66.41 66.91 3g96 h THR 66 Cb 0.77 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3g96 h THR 66 CO 0.06 0.10 -0.76 0.78 0.37 0.00 0.00 175.52 176.07 3g96 h ASN 67 N 0.56 0.39 -0.31 4.18 2.35 -1.31 -2.97 115.58 118.46 3g96 h ASN 67 Ca 0.15 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.52 3g96 h ASN 67 Cb -0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3g96 h ASN 67 CO -0.04 1.01 -0.24 0.00 -1.65 0.00 0.00 177.43 176.51 3g96 h ALA 68 N 0.98 0.83 -0.14 -0.83 0.00 -1.13 -2.13 119.26 116.84 3g96 h ALA 68 Ca -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3g96 h ALA 68 Cb 1.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3g96 h ALA 68 CO 0.12 0.64 0.05 1.25 0.00 0.00 0.00 179.25 181.31 3g96 h LEU 69 N 0.69 0.20 -0.73 0.00 6.46 -1.42 -0.82 115.31 119.70 3g96 h LEU 69 Ca 0.09 -0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.52 3g96 h LEU 69 Cb 0.77 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 3g96 h LEU 69 CO 0.06 0.35 -0.60 0.03 -0.62 0.00 0.00 178.44 177.65 3g96 h ARG 70 N 0.05 0.11 0.11 1.25 3.08 -1.50 -2.63 114.38 114.85 3g96 h ARG 70 Ca 0.05 -0.07 -0.32 0.00 0.07 0.00 0.00 59.98 59.71 3g96 h ARG 70 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3g96 h ARG 70 CO -0.00 0.68 -1.68 0.77 -1.07 0.00 0.00 179.97 178.67 3g96 h SER 71 N 0.08 0.37 -0.02 7.04 0.02 -1.41 -3.39 113.55 116.25 3g96 h SER 71 Ca -0.01 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 3g96 h SER 71 Cb 1.09 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3g96 h SER 71 CO 0.09 1.72 -0.00 0.23 -1.14 0.00 0.00 176.83 177.73 3g96 n MET 72 N -3.77 1.78 -1.65 3.45 2.81 -0.32 -4.92 117.12 114.50 3g96 n MET 72 Ca -0.29 -1.14 -0.47 0.00 -1.81 0.00 0.00 57.70 54.00 3g96 n MET 72 Cb 0.95 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.95 3g96 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3g96 n GLN 73 N 0.38 1.81 -1.20 0.03 -0.06 -0.99 -1.95 117.38 115.41 3g96 n GLN 73 Ca 0.18 0.65 -0.07 0.00 -2.00 0.00 0.00 57.00 55.76 3g96 n GLN 73 Cb 0.40 -2.31 -0.03 0.00 -4.06 0.00 0.00 30.24 24.24 3g96 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g96 n GLY 74 N 2.53 0.75 3.68 1.69 0.00 -1.13 -4.93 105.19 107.77 3g96 n GLY 74 Ca 0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.81 2.49 -0.24 1.61 2.19 -0.82 -4.10 117.98 117.29 3g96 s PHE 75 Ca 0.00 0.55 -0.28 0.00 0.33 0.00 0.00 56.93 57.53 3g96 s PHE 75 Cb 0.00 -3.77 -0.04 0.00 -1.31 0.00 0.00 43.02 37.90 3g96 s PHE 75 CO 0.00 -3.05 1.98 -2.14 1.83 0.00 0.00 175.22 173.84 3g96 s PRO 76 N 3.13 3.35 -0.13 10.12 0.02 -1.26 -0.96 135.00 149.27 3g96 s PRO 76 Ca 0.67 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 3g96 s PRO 76 Cb -0.32 -4.26 0.03 0.00 0.02 0.00 0.00 34.50 29.98 3g96 s PRO 76 CO 0.27 -1.85 -0.04 0.12 -0.33 0.00 0.00 177.00 175.17 3g96 s PHE 77 N 7.18 1.38 -1.19 6.54 5.36 -0.05 -4.74 117.98 132.45 3g96 s PHE 77 Ca 0.89 -0.78 -0.07 0.00 -0.96 0.00 0.00 56.93 56.01 3g96 s PHE 77 Cb -0.29 -1.17 -0.02 0.00 -0.34 0.00 0.00 43.02 41.21 3g96 s PHE 77 CO 0.34 -0.53 0.79 0.66 -1.46 0.00 0.00 175.22 175.03 3g96 n TYR 78 N 4.96 -2.06 -0.63 10.12 4.01 -1.26 -2.12 117.16 130.19 3g96 n TYR 78 Ca -0.11 0.74 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 3g96 n TYR 78 Cb 0.49 -4.09 0.00 0.00 -0.31 0.00 0.00 39.34 35.42 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 -2.99 -0.22 -3.98 7.72 9.92 -1.26 -4.63 116.55 121.10 3g96 n ASP 79 Ca -0.19 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.78 3g96 n ASP 79 Cb 0.64 -1.99 -0.16 0.00 -0.64 0.00 0.00 41.12 38.97 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 -0.81 1.95 0.15 -1.24 1.02 -0.90 -5.05 119.74 114.86 3g96 s LYS 80 Ca 0.00 -0.69 -0.31 0.00 0.02 0.00 0.00 55.97 54.99 3g96 s LYS 80 Cb 0.00 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 3g96 s LYS 80 CO 0.00 -0.38 1.70 -1.25 -0.92 0.00 0.00 175.35 174.50 3g96 s PRO 81 N 1.48 4.16 1.09 -1.68 0.04 -1.26 -0.87 135.00 137.96 3g96 s PRO 81 Ca 0.01 2.50 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 3g96 s PRO 81 Cb -0.15 -3.32 0.24 0.00 0.04 0.00 0.00 34.50 31.30 3g96 s PRO 81 CO -0.09 -0.74 1.14 -1.64 0.04 0.00 0.00 177.00 175.72 3g96 s MET 82 N 1.83 -0.34 -0.28 4.56 -1.94 -0.13 -4.82 119.30 118.18 3g96 s MET 82 Ca 0.75 0.05 0.01 0.00 -1.71 0.00 0.00 55.69 54.79 3g96 s MET 82 Cb -0.46 -1.69 0.15 0.00 2.01 0.00 0.00 34.83 34.85 3g96 s MET 82 CO 0.33 -3.15 0.38 0.50 -0.01 0.00 0.00 175.02 173.08 3g96 s ARG 83 N -5.36 0.39 -0.19 2.03 3.52 -1.09 -2.85 118.95 115.39 3g96 s ARG 83 Ca 0.69 0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 56.39 3g96 s ARG 83 Cb -0.11 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.84 3g96 s ARG 83 CO 0.56 -0.96 0.05 0.42 -0.81 0.00 0.00 175.30 174.56 3g96 s ILE 84 N 2.51 4.64 0.21 4.11 1.01 -1.26 -1.92 121.20 130.51 3g96 s ILE 84 Ca 0.10 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.74 3g96 s ILE 84 Cb -0.13 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3g96 s ILE 84 CO -0.28 0.45 -0.12 -1.10 0.00 0.00 0.00 174.94 173.89 3g96 s GLN 85 N 0.52 1.35 0.50 2.79 -0.21 0.54 -5.00 119.66 120.14 3g96 s GLN 85 Ca 0.02 -1.62 -0.20 0.00 0.02 0.00 0.00 55.36 53.59 3g96 s GLN 85 Cb -0.13 -1.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.75 3g96 s GLN 85 CO 0.01 0.13 1.05 0.71 -2.12 0.00 0.00 175.29 175.07 3g96 s TYR 86 N -3.04 2.95 0.32 0.91 2.02 -1.26 0.47 117.35 119.72 3g96 s TYR 86 Ca 0.24 1.57 -0.29 0.00 -0.37 0.00 0.00 57.07 58.22 3g96 s TYR 86 Cb 0.01 -3.09 -0.10 0.00 -0.40 0.00 0.00 41.96 38.37 3g96 s TYR 86 CO 0.07 -0.94 1.36 0.00 -1.57 0.00 0.00 175.55 174.48 3g96 s ALA 87 N -1.97 3.54 0.21 3.71 0.00 -0.08 -4.53 121.76 122.63 3g96 s ALA 87 Ca 0.68 1.33 -0.10 0.00 0.00 0.00 0.00 51.96 53.87 3g96 s ALA 87 Cb -0.17 -3.52 0.15 0.00 0.00 0.00 0.00 23.12 19.59 3g96 s ALA 87 CO 0.21 -0.73 1.85 0.87 0.00 0.00 0.00 175.76 177.96 3g96 h LYS 88 N 3.67 1.04 -5.00 0.00 6.56 -1.93 -3.44 116.57 117.47 3g96 h LYS 88 Ca -0.49 -0.10 -0.40 0.00 -1.06 0.00 0.00 60.65 58.61 3g96 h LYS 88 Cb 1.23 -0.22 -0.14 0.00 -0.57 0.00 0.00 32.23 32.53 3g96 h LYS 88 CO 0.68 0.74 -0.61 0.95 -2.06 0.00 0.00 179.45 179.15 3g96 s THR 89 N -5.95 0.74 0.52 -0.16 -4.23 -1.26 -5.00 115.64 100.30 3g96 s THR 89 Ca -0.13 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.17 3g96 s THR 89 Cb 0.15 -2.67 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 3g96 s THR 89 CO 0.79 0.00 1.17 -1.81 -0.54 0.00 0.00 174.62 174.24 3g96 s ASP 90 N -3.38 5.78 0.87 3.99 1.01 -1.26 -4.92 116.67 118.75 3g96 s ASP 90 Ca 0.37 2.30 -0.12 0.00 0.71 0.00 0.00 52.55 55.81 3g96 s ASP 90 Cb 0.08 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.52 3g96 s ASP 90 CO 0.14 -1.19 1.10 -0.44 0.21 0.00 0.00 175.17 175.00 3g96 s SER 91 N -1.53 3.80 0.13 0.27 0.01 -1.26 -4.80 113.70 110.32 3g96 s SER 91 Ca 0.70 1.29 -0.19 0.00 1.31 0.00 0.00 55.95 59.06 3g96 s SER 91 Cb -0.28 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 3g96 s SER 91 CO 0.32 -2.40 1.76 0.44 0.41 0.00 0.00 173.24 173.77 3g96 h ASP 92 N -1.39 0.17 -0.73 2.44 5.19 -1.98 0.41 116.42 120.53 3g96 h ASP 92 Ca -0.49 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 3g96 h ASP 92 Cb 1.29 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.74 3g96 h ASP 92 CO 0.58 0.13 0.48 -0.29 -3.12 0.00 0.00 179.24 177.02 3g96 h ILE 93 N 0.25 1.19 -0.05 0.35 2.10 -1.94 0.15 117.51 119.56 3g96 h ILE 93 Ca 0.10 -0.35 -0.22 0.00 1.08 0.00 0.00 64.86 65.47 3g96 h ILE 93 Cb 0.03 0.12 0.02 0.00 -1.09 0.00 0.00 36.82 35.89 3g96 h ILE 93 CO -0.07 0.18 -0.84 0.40 -1.08 0.00 0.00 178.15 176.74 3g96 h ILE 94 N 0.99 1.32 -0.25 2.19 1.08 -1.88 -3.30 117.51 117.66 3g96 h ILE 94 Ca 0.27 -2.11 -0.15 0.00 -0.39 0.00 0.00 64.86 62.48 3g96 h ILE 94 Cb -0.11 2.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 3g96 h ILE 94 CO -0.06 0.65 -0.45 0.00 -0.69 0.00 0.00 178.15 177.60 3g96 h ALA 95 N 0.42 0.74 0.00 1.87 0.00 -0.56 -3.48 119.26 118.25 3g96 h ALA 95 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3g96 h ALA 95 Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3g96 h ALA 95 CO 0.17 0.67 0.00 0.36 0.00 0.00 0.00 179.25 180.44