#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 2.24 -0.06 0.00 0.02 -1.26 -4.80 135.00 131.14 3g96 s PRO 8 Ca 0.00 1.07 -0.27 0.00 0.02 0.00 0.00 61.00 61.82 3g96 s PRO 8 Cb 0.00 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.68 3g96 s PRO 8 CO 0.00 -1.62 0.60 1.21 -0.33 0.00 0.00 177.00 176.86 3g96 s ASN 9 N -3.48 -0.57 0.31 2.53 3.84 -1.26 -4.96 114.94 111.34 3g96 s ASN 9 Ca 0.61 0.65 0.01 0.00 0.21 0.00 0.00 52.86 54.34 3g96 s ASN 9 Cb -0.17 0.57 0.50 0.00 -0.55 0.00 0.00 41.25 41.60 3g96 s ASN 9 CO 0.56 -0.54 1.86 0.45 -2.79 0.00 0.00 177.10 176.64 3g96 h HIS 10 N 3.38 0.73 -2.97 0.43 3.86 -1.90 -3.43 115.15 115.25 3g96 h HIS 10 Ca -0.28 -0.06 -0.63 0.00 -1.16 0.00 0.00 60.37 58.25 3g96 h HIS 10 Cb 1.15 -0.22 -0.08 0.00 1.06 0.00 0.00 27.41 29.33 3g96 h HIS 10 CO 0.41 0.63 -0.36 0.99 0.86 0.00 0.00 177.93 180.45 3g96 s THR 11 N -5.16 5.32 -0.15 2.45 2.01 -1.26 -1.37 115.64 117.47 3g96 s THR 11 Ca -0.09 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 3g96 s THR 11 Cb 0.16 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 3g96 s THR 11 CO 0.78 0.53 -0.02 0.27 -0.69 0.00 0.00 174.62 175.49 3g96 s ILE 12 N -0.53 4.01 -0.49 1.82 -4.36 -0.55 -2.00 121.20 119.11 3g96 s ILE 12 Ca 0.17 -0.32 -0.24 0.00 -0.26 0.00 0.00 60.65 60.00 3g96 s ILE 12 Cb -0.13 -2.76 0.03 0.00 1.25 0.00 0.00 42.46 40.85 3g96 s ILE 12 CO 0.06 0.50 0.89 -0.47 0.24 0.00 0.00 174.94 176.15 3g96 s TYR 13 N 0.25 2.90 -0.22 1.37 5.04 0.12 -2.19 117.35 124.62 3g96 s TYR 13 Ca -0.02 0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.70 3g96 s TYR 13 Cb -0.14 -3.91 -0.04 0.00 0.35 0.00 0.00 41.96 38.22 3g96 s TYR 13 CO 0.03 -1.15 0.11 0.42 -1.34 0.00 0.00 175.55 173.61 3g96 s ILE 14 N 3.67 4.94 0.00 3.14 1.01 0.56 -0.87 121.20 133.64 3g96 s ILE 14 Ca 0.32 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.00 3g96 s ILE 14 Cb -0.12 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.07 3g96 s ILE 14 CO 0.23 0.38 0.00 -0.46 0.00 0.00 0.00 174.94 175.09 3g96 n ASN 15 N 4.19 1.41 -3.67 3.58 6.94 -0.03 0.36 115.26 128.05 3g96 n ASN 15 Ca -0.16 -0.78 -0.22 0.00 -0.02 0.00 0.00 54.58 53.40 3g96 n ASN 15 Cb 0.52 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.98 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 -1.24 -2.06 -4.78 0.53 5.15 -1.02 -2.49 115.26 109.35 3g96 n ASN 16 Ca 0.00 -0.76 -0.26 0.00 -0.60 0.00 0.00 54.58 52.96 3g96 n ASN 16 Cb 0.00 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 34.90 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 -6.73 3.74 -0.10 1.20 1.43 -1.07 -4.42 118.68 112.73 3g96 s LEU 17 Ca 0.12 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3g96 s LEU 17 Cb -0.06 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3g96 s LEU 17 CO 0.79 0.05 1.46 0.21 0.23 0.00 0.00 176.35 179.10 3g96 s ASN 18 N -3.20 6.80 0.41 2.29 3.84 -1.26 -4.50 114.94 119.32 3g96 s ASN 18 Ca 0.31 1.98 0.23 0.00 0.21 0.00 0.00 52.86 55.58 3g96 s ASN 18 Cb -0.10 -2.54 0.61 0.00 -0.55 0.00 0.00 41.25 38.67 3g96 s ASN 18 CO 0.23 -0.84 1.69 -0.33 -2.79 0.00 0.00 177.10 175.06 3g96 h GLU 19 N 8.84 0.00 0.00 0.43 5.08 -1.95 -3.21 114.58 123.77 3g96 h GLU 19 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3g96 h GLU 19 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3g96 h GLU 19 CO 0.96 0.21 0.00 1.63 -1.00 0.00 0.00 179.01 180.81 3g96 n LYS 20 N -3.23 0.01 -3.42 2.33 4.01 -1.26 -4.70 118.16 111.90 3g96 n LYS 20 Ca 0.02 0.25 -0.38 0.00 -0.51 0.00 0.00 58.31 57.69 3g96 n LYS 20 Cb 0.52 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.48 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 -2.98 5.12 0.66 -0.18 1.09 -1.22 -5.07 121.20 118.63 3g96 s ILE 21 Ca 0.07 0.86 -0.13 0.00 -1.10 0.00 0.00 60.65 60.35 3g96 s ILE 21 Cb 0.09 -3.75 -0.01 0.00 -1.06 0.00 0.00 42.46 37.74 3g96 s ILE 21 CO 0.26 0.45 1.07 -1.59 -0.10 0.00 0.00 174.94 175.02 3g96 s LYS 22 N -0.17 3.01 0.19 2.79 -2.85 -1.26 -4.79 119.74 116.65 3g96 s LYS 22 Ca 0.24 1.11 -0.19 0.00 -1.00 0.00 0.00 55.97 56.13 3g96 s LYS 22 Cb -0.16 -1.99 0.14 0.00 -2.06 0.00 0.00 37.83 33.76 3g96 s LYS 22 CO 0.11 -1.05 1.61 -0.22 0.10 0.00 0.00 175.35 175.90 3g96 h LYS 23 N -0.24 -0.12 -0.14 1.78 3.11 -1.96 -0.83 116.57 118.18 3g96 h LYS 23 Ca -0.45 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.35 3g96 h LYS 23 Cb 1.22 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.47 3g96 h LYS 23 CO 0.56 -0.08 -0.11 0.22 -2.81 0.00 0.00 179.45 177.23 3g96 h ASP 24 N -0.13 0.33 -0.12 4.20 -0.00 -1.96 -2.41 116.42 116.34 3g96 h ASP 24 Ca 0.23 -0.46 0.04 0.00 -0.00 0.00 0.00 57.03 56.84 3g96 h ASP 24 Cb 0.50 -0.09 -0.04 0.00 -0.00 0.00 0.00 39.33 39.69 3g96 h ASP 24 CO -0.59 0.72 -0.13 -0.08 -0.00 0.00 0.00 179.24 179.16 3g96 h GLU 25 N -0.05 -0.16 -0.78 0.28 4.81 -1.87 -1.26 114.58 115.56 3g96 h GLU 25 Ca 0.03 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3g96 h GLU 25 Cb 0.62 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3g96 h GLU 25 CO 0.03 -0.10 0.51 1.25 -0.73 0.00 0.00 179.01 179.97 3g96 h LEU 26 N -0.16 0.83 -0.38 1.64 5.85 -1.19 -0.56 115.31 121.34 3g96 h LEU 26 Ca 0.09 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3g96 h LEU 26 Cb 0.28 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3g96 h LEU 26 CO -0.21 0.58 0.08 0.50 -0.34 0.00 0.00 178.44 179.04 3g96 h LYS 27 N 0.97 0.62 -0.14 1.25 3.64 -0.88 -2.10 116.57 119.92 3g96 h LYS 27 Ca 0.31 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 3g96 h LYS 27 Cb 0.03 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3g96 h LYS 27 CO -0.09 0.66 -0.63 0.87 -2.27 0.00 0.00 179.45 177.99 3g96 h LYS 28 N 0.47 0.50 -0.06 1.90 1.57 -0.80 -2.80 116.57 117.35 3g96 h LYS 28 Ca 0.12 -0.36 -0.13 0.00 -1.87 0.00 0.00 60.65 58.42 3g96 h LYS 28 Cb 0.33 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3g96 h LYS 28 CO 0.00 0.97 -0.53 0.77 -0.57 0.00 0.00 179.45 180.10 3g96 h SER 29 N 0.37 0.19 0.38 0.86 0.02 -1.11 -2.75 113.55 111.51 3g96 h SER 29 Ca -0.01 -0.10 -0.19 0.00 -0.84 0.00 0.00 61.79 60.65 3g96 h SER 29 Cb 1.19 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3g96 h SER 29 CO 0.12 0.69 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.65 3g96 h LEU 30 N 0.14 0.39 -1.01 5.07 3.38 -1.35 -3.13 115.31 118.79 3g96 h LEU 30 Ca 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3g96 h LEU 30 Cb 0.98 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3g96 h LEU 30 CO 0.08 1.02 -0.06 -0.74 0.09 0.00 0.00 178.44 178.82 3g96 h HIS 31 N 0.21 0.00 -0.47 1.13 2.76 -1.41 -2.85 115.15 114.52 3g96 h HIS 31 Ca -0.04 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 3g96 h HIS 31 Cb 1.35 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.29 3g96 h HIS 31 CO 0.04 0.06 0.11 0.00 -1.30 0.00 0.00 177.93 176.84 3g96 h ALA 32 N 1.94 1.32 0.00 5.26 0.00 -1.43 -3.25 119.26 123.10 3g96 h ALA 32 Ca -0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 54.35 3g96 h ALA 32 Cb 0.70 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3g96 h ALA 32 CO 0.01 0.48 -2.44 -0.89 0.00 0.00 0.00 179.25 176.41 3g96 n ILE 33 N -4.30 1.45 1.53 0.00 5.41 -1.19 -4.44 119.36 117.82 3g96 n ILE 33 Ca 0.03 -0.64 0.02 0.00 1.00 0.00 0.00 62.75 63.16 3g96 n ILE 33 Cb 0.21 -1.17 0.05 0.00 -0.71 0.00 0.00 39.64 38.01 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 -3.12 0.16 0.16 1.39 3.72 -1.08 -3.85 117.46 114.84 3g96 n PHE 34 Ca -0.42 -0.07 0.04 0.00 -0.05 0.00 0.00 57.45 56.94 3g96 n PHE 34 Cb 1.03 -0.02 0.19 0.00 -0.94 0.00 0.00 39.48 39.73 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 0.60 0.00 0.14 4.37 4.64 -1.77 -3.33 113.55 118.20 3g96 h SER 35 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3g96 h SER 35 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3g96 h SER 35 CO 0.01 0.44 -0.68 0.08 -0.87 0.00 0.00 176.83 175.81 3g96 h ARG 36 N 0.00 0.49 -0.25 4.77 0.11 -1.90 -3.32 114.38 114.29 3g96 h ARG 36 Ca -0.00 -0.37 -0.14 0.00 0.10 0.00 0.00 59.98 59.56 3g96 h ARG 36 Cb 1.14 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 3g96 h ARG 36 CO 0.06 1.00 -0.43 0.74 0.10 0.00 0.00 179.97 181.43 3g96 h PHE 37 N 0.35 0.73 -0.32 4.08 0.04 -1.86 -3.48 116.94 116.48 3g96 h PHE 37 Ca -0.02 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.53 3g96 h PHE 37 Cb 1.25 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.25 3g96 h PHE 37 CO 0.05 0.93 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 3g96 n GLY 38 N 0.05 1.03 3.68 -1.45 0.00 -1.25 -4.37 105.19 102.89 3g96 n GLY 38 Ca -0.02 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 0.55 4.15 -0.14 1.61 -2.07 -1.26 -4.64 119.66 117.86 3g96 s GLN 39 Ca 0.00 -0.01 -0.19 0.00 -1.82 0.00 0.00 55.36 53.34 3g96 s GLN 39 Cb 0.00 -3.51 -0.04 0.00 -1.09 0.00 0.00 33.01 28.37 3g96 s GLN 39 CO 0.00 0.06 0.51 0.42 -1.32 0.00 0.00 175.29 174.96 3g96 s ILE 40 N 1.02 5.15 -0.06 3.63 1.01 -1.26 -1.94 121.20 128.74 3g96 s ILE 40 Ca 0.14 1.00 -0.23 0.00 0.00 0.00 0.00 60.65 61.55 3g96 s ILE 40 Cb -0.14 -3.84 -0.18 0.00 0.01 0.00 0.00 42.46 38.30 3g96 s ILE 40 CO 0.05 0.28 0.93 -0.07 0.00 0.00 0.00 174.94 176.14 3g96 h LEU 41 N 7.05 -0.10 -7.00 2.97 3.38 -1.13 -3.49 115.31 117.00 3g96 h LEU 41 Ca -0.39 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.09 3g96 h LEU 41 Cb 1.17 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 3g96 h LEU 41 CO 0.75 0.52 0.28 -0.62 0.09 0.00 0.00 178.44 179.47 3g96 s ASP 42 N -5.67 -0.52 -0.14 -0.43 -1.08 -1.25 -5.06 116.67 102.51 3g96 s ASP 42 Ca -0.14 0.05 0.02 0.00 -0.52 0.00 0.00 52.55 51.96 3g96 s ASP 42 Cb 0.00 0.54 0.01 0.00 -1.46 0.00 0.00 42.92 42.01 3g96 s ASP 42 CO 0.55 -0.85 -0.22 -0.63 0.52 0.00 0.00 175.17 174.55 3g96 s ILE 43 N -3.39 2.07 -0.21 4.11 1.01 -1.26 -2.35 121.20 121.18 3g96 s ILE 43 Ca 0.01 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 3g96 s ILE 43 Cb -0.01 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 3g96 s ILE 43 CO -0.10 0.55 0.45 -0.76 0.00 0.00 0.00 174.94 175.08 3g96 s LEU 44 N 0.86 4.13 -0.06 2.97 1.02 -0.21 -4.96 118.68 122.44 3g96 s LEU 44 Ca -0.06 0.55 -0.00 0.00 0.02 0.00 0.00 54.13 54.64 3g96 s LEU 44 Cb -0.15 -2.59 0.03 0.00 0.02 0.00 0.00 46.19 43.49 3g96 s LEU 44 CO -0.03 -0.15 -0.01 -0.69 0.02 0.00 0.00 176.35 175.49 3g96 s VAL 45 N 1.60 0.40 0.05 -1.59 1.01 -1.26 -2.22 120.40 118.39 3g96 s VAL 45 Ca 0.21 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3g96 s VAL 45 Cb -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3g96 s VAL 45 CO 0.09 0.23 -0.13 -0.55 0.00 0.00 0.00 175.10 174.74 3g96 s SER 46 N 1.50 1.51 -0.07 3.32 0.15 -1.26 -5.01 113.70 113.85 3g96 s SER 46 Ca -0.02 -0.51 0.13 0.00 0.70 0.00 0.00 55.95 56.25 3g96 s SER 46 Cb -0.13 -0.07 0.40 0.00 -1.71 0.00 0.00 66.02 64.51 3g96 s SER 46 CO -0.03 -0.03 1.32 -1.14 1.20 0.00 0.00 173.24 174.56 3g96 n ARG 47 N 1.68 2.91 -1.30 5.44 3.00 -1.26 -3.54 116.66 123.58 3g96 n ARG 47 Ca -0.19 -2.37 -0.29 0.00 -0.00 0.00 0.00 57.85 54.99 3g96 n ARG 47 Cb 0.55 -1.51 0.14 0.00 0.00 0.00 0.00 32.46 31.64 3g96 n ARG 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3g96 s SER 48 N -1.38 3.35 0.20 6.15 1.04 -1.26 -4.61 113.70 117.20 3g96 s SER 48 Ca 0.31 1.27 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 3g96 s SER 48 Cb 0.21 -1.94 0.23 0.00 0.10 0.00 0.00 66.02 64.62 3g96 s SER 48 CO 0.13 -2.68 1.74 0.25 0.98 0.00 0.00 173.24 173.65 3g96 h LEU 49 N -1.58 0.16 -0.42 2.42 5.85 -1.97 0.12 115.31 119.88 3g96 h LEU 49 Ca -0.51 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3g96 h LEU 49 Cb 1.30 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3g96 h LEU 49 CO 0.58 0.11 -0.17 0.29 -0.34 0.00 0.00 178.44 178.90 3g96 n LYS 50 N -5.03 0.86 0.00 1.25 4.01 -1.26 -4.20 118.16 113.79 3g96 n LYS 50 Ca 0.07 -0.42 0.00 0.00 -0.51 0.00 0.00 58.31 57.45 3g96 n LYS 50 Cb 0.25 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 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 -0.71 -0.03 -2.45 1.97 2.81 -0.82 -5.07 117.12 112.82 3g96 n MET 51 Ca 0.14 -0.49 -0.36 0.00 -1.81 0.00 0.00 57.70 55.18 3g96 n MET 51 Cb 0.31 -0.80 -0.03 0.00 -0.71 0.00 0.00 33.22 32.00 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 -0.14 3.97 -0.91 0.03 1.70 0.34 -3.48 118.95 120.46 3g96 s ARG 52 Ca 0.00 1.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.83 3g96 s ARG 52 Cb 0.00 -2.42 0.00 0.00 -0.57 0.00 0.00 34.95 31.96 3g96 s ARG 52 CO 0.00 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.31 3g96 n GLY 53 N 0.28 0.50 3.02 3.88 0.00 -1.26 -4.97 105.19 106.63 3g96 n GLY 53 Ca 0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.72 0.43 -0.11 1.61 -0.21 -1.23 -2.43 119.66 114.01 3g96 s GLN 54 Ca 0.00 -0.63 -0.08 0.00 0.02 0.00 0.00 55.36 54.66 3g96 s GLN 54 Cb 0.00 -0.17 0.03 0.00 1.00 0.00 0.00 33.01 33.87 3g96 s GLN 54 CO 0.00 0.02 0.28 0.00 -2.12 0.00 0.00 175.29 173.47 3g96 s ALA 55 N -1.24 -0.67 -0.32 6.09 0.00 0.16 -4.41 121.76 121.37 3g96 s ALA 55 Ca -0.10 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3g96 s ALA 55 Cb -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3g96 s ALA 55 CO -0.00 -0.16 0.14 -0.06 0.00 0.00 0.00 175.76 175.68 3g96 s PHE 56 N 0.57 3.19 -0.36 0.00 0.40 -0.94 -0.33 117.98 120.51 3g96 s PHE 56 Ca -0.03 -0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 55.30 3g96 s PHE 56 Cb -0.05 -2.33 0.02 0.00 0.51 0.00 0.00 43.02 41.17 3g96 s PHE 56 CO -0.03 -0.57 0.20 0.08 0.70 0.00 0.00 175.22 175.60 3g96 s VAL 57 N 1.54 4.62 -0.51 -0.44 1.01 -0.93 -1.04 120.40 124.65 3g96 s VAL 57 Ca 0.03 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 3g96 s VAL 57 Cb -0.18 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.72 3g96 s VAL 57 CO 0.05 -0.19 0.67 -0.63 0.00 0.00 0.00 175.10 175.00 3g96 s ILE 58 N 1.57 4.81 0.27 2.22 1.01 -0.99 -1.48 121.20 128.62 3g96 s ILE 58 Ca 0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3g96 s ILE 58 Cb -0.19 -4.33 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 3g96 s ILE 58 CO 0.07 -0.84 0.69 -0.36 0.00 0.00 0.00 174.94 174.50 3g96 s PHE 59 N 2.81 3.45 0.18 3.97 0.08 -0.47 -0.51 117.98 127.48 3g96 s PHE 59 Ca 0.17 1.19 0.12 0.00 0.12 0.00 0.00 56.93 58.53 3g96 s PHE 59 Cb -0.18 -2.50 0.28 0.00 -0.57 0.00 0.00 43.02 40.06 3g96 s PHE 59 CO 0.13 0.20 1.55 -0.22 -0.10 0.00 0.00 175.22 176.78 3g96 h LYS 60 N 2.64 0.00 -6.71 0.44 3.64 -1.67 -3.42 116.57 111.48 3g96 h LYS 60 Ca -0.48 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.21 3g96 h LYS 60 Cb 1.18 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.76 3g96 h LYS 60 CO 0.66 0.63 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.41 3g96 s GLU 61 N -3.36 1.83 0.14 1.90 0.41 -1.26 -5.05 118.70 113.31 3g96 s GLU 61 Ca -0.00 -1.11 -0.14 0.00 -0.41 0.00 0.00 54.97 53.32 3g96 s GLU 61 Cb 0.11 -2.05 -0.00 0.00 -1.78 0.00 0.00 34.13 30.41 3g96 s GLU 61 CO 0.76 0.51 1.59 0.28 -0.49 0.00 0.00 175.26 177.91 3g96 h VAL 62 N 4.04 1.26 -0.82 2.63 2.07 -1.88 -3.02 116.25 120.53 3g96 h VAL 62 Ca -0.48 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.12 3g96 h VAL 62 Cb 1.15 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 3g96 h VAL 62 CO 0.44 0.35 0.53 -1.28 0.02 0.00 0.00 177.57 177.64 3g96 h SER 63 N 0.62 0.73 -0.23 0.57 0.87 -1.96 0.59 113.55 114.73 3g96 h SER 63 Ca 0.13 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3g96 h SER 63 Cb 0.47 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3g96 h SER 63 CO 0.02 0.44 0.14 0.28 -0.53 0.00 0.00 176.83 177.18 3g96 h SER 64 N 0.81 0.28 0.89 6.23 0.02 -1.73 -0.04 113.55 120.01 3g96 h SER 64 Ca 0.37 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3g96 h SER 64 Cb 0.37 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3g96 h SER 64 CO -0.14 0.24 -0.26 0.00 -1.14 0.00 0.00 176.83 175.53 3g96 h ALA 65 N 1.04 1.02 -0.09 3.77 0.00 -1.03 -0.89 119.26 123.09 3g96 h ALA 65 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3g96 h ALA 65 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g96 h ALA 65 CO -0.02 0.33 -0.20 1.15 0.00 0.00 0.00 179.25 180.51 3g96 h THR 66 N 0.00 1.40 -0.21 0.00 2.02 0.43 -2.93 112.91 113.62 3g96 h THR 66 Ca -0.00 -1.51 -0.18 0.00 0.77 0.00 0.00 66.41 65.49 3g96 h THR 66 Cb 0.78 2.16 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3g96 h THR 66 CO 0.03 0.43 -0.58 0.78 0.37 0.00 0.00 175.52 176.56 3g96 h ASN 67 N -0.17 0.77 -0.13 4.18 2.35 -0.89 -2.65 115.58 119.03 3g96 h ASN 67 Ca 0.00 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 3g96 h ASN 67 Cb 0.79 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3g96 h ASN 67 CO 0.04 1.18 0.05 0.00 -1.65 0.00 0.00 177.43 177.05 3g96 h ALA 68 N 0.83 0.14 -0.10 -0.83 0.00 -1.27 -1.08 119.26 116.96 3g96 h ALA 68 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3g96 h ALA 68 Cb 1.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3g96 h ALA 68 CO 0.12 -0.40 -0.10 1.25 0.00 0.00 0.00 179.25 180.12 3g96 h LEU 69 N 0.12 -0.31 -0.66 0.00 6.46 -1.53 -0.69 115.31 118.70 3g96 h LEU 69 Ca 0.05 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3g96 h LEU 69 Cb 0.02 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 3g96 h LEU 69 CO -0.05 -0.14 0.42 0.03 -0.62 0.00 0.00 178.44 178.08 3g96 h ARG 70 N -0.12 0.89 0.12 1.25 3.08 -1.30 -2.98 114.38 115.31 3g96 h ARG 70 Ca 0.07 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3g96 h ARG 70 Cb 0.23 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3g96 h ARG 70 CO -0.18 0.61 -0.94 0.77 -1.07 0.00 0.00 179.97 179.17 3g96 h SER 71 N 0.90 0.41 -0.30 7.04 0.02 -1.10 -3.36 113.55 117.15 3g96 h SER 71 Ca 0.24 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 3g96 h SER 71 Cb -0.06 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3g96 h SER 71 CO -0.05 1.43 0.00 0.23 -1.14 0.00 0.00 176.83 177.31 3g96 n MET 72 N -4.11 1.82 -1.96 3.45 2.81 -0.28 -4.86 117.12 114.00 3g96 n MET 72 Ca -0.17 -1.27 -0.42 0.00 -1.81 0.00 0.00 57.70 54.04 3g96 n MET 72 Cb 0.82 -1.33 -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 -1.60 3.15 0.00 0.03 2.00 -1.12 -2.36 119.66 119.76 3g96 s GLN 73 Ca 0.27 1.34 0.00 0.00 -2.00 0.00 0.00 55.36 54.98 3g96 s GLN 73 Cb 0.15 -4.26 0.00 0.00 0.80 0.00 0.00 33.01 29.70 3g96 s GLN 73 CO 0.20 -2.07 0.00 0.41 -0.50 0.00 0.00 175.29 173.33 3g96 n GLY 74 N 5.51 0.80 3.70 2.59 0.00 -0.46 -4.98 105.19 112.34 3g96 n GLY 74 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.16 2.98 -0.23 1.61 2.19 -0.99 -4.20 117.98 117.17 3g96 s PHE 75 Ca 0.00 0.83 -0.29 0.00 0.33 0.00 0.00 56.93 57.80 3g96 s PHE 75 Cb 0.00 -3.70 -0.03 0.00 -1.31 0.00 0.00 43.02 37.98 3g96 s PHE 75 CO 0.00 -2.54 1.71 -2.14 1.83 0.00 0.00 175.22 174.07 3g96 s PRO 76 N 1.86 3.67 -0.21 10.12 0.02 -1.26 -1.51 135.00 147.70 3g96 s PRO 76 Ca 0.65 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 63.33 3g96 s PRO 76 Cb -0.34 -4.10 0.06 0.00 0.02 0.00 0.00 34.50 30.14 3g96 s PRO 76 CO 0.29 -1.45 0.01 0.12 -0.33 0.00 0.00 177.00 175.64 3g96 s PHE 77 N 5.70 1.46 -0.98 6.54 5.36 0.35 -4.80 117.98 131.61 3g96 s PHE 77 Ca 0.76 -1.15 -0.05 0.00 -0.96 0.00 0.00 56.93 55.52 3g96 s PHE 77 Cb -0.26 -1.21 -0.05 0.00 -0.34 0.00 0.00 43.02 41.17 3g96 s PHE 77 CO 0.31 -0.66 0.86 0.66 -1.46 0.00 0.00 175.22 174.92 3g96 n TYR 78 N 4.93 -2.56 -0.02 10.12 4.01 -1.26 -3.42 117.16 128.96 3g96 n TYR 78 Ca -0.10 0.90 0.00 0.00 -0.16 0.00 0.00 57.90 58.54 3g96 n TYR 78 Cb 0.46 -4.07 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 -2.84 0.00 -3.96 7.72 9.92 -1.26 -4.54 116.55 121.59 3g96 n ASP 79 Ca -0.06 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.02 3g96 n ASP 79 Cb 0.59 -0.69 -0.15 0.00 -0.64 0.00 0.00 41.12 40.23 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 -0.01 0.72 0.51 -1.24 1.02 -1.22 -5.07 119.74 114.45 3g96 s LYS 80 Ca 0.00 -0.21 -0.21 0.00 0.02 0.00 0.00 55.97 55.57 3g96 s LYS 80 Cb 0.00 -0.70 -0.06 0.00 -0.52 0.00 0.00 37.83 36.55 3g96 s LYS 80 CO 0.00 0.07 1.20 -1.25 -0.92 0.00 0.00 175.35 174.45 3g96 s PRO 81 N 0.25 3.43 0.12 -1.68 0.04 -1.26 -0.50 135.00 135.41 3g96 s PRO 81 Ca -0.03 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 3g96 s PRO 81 Cb -0.08 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 3g96 s PRO 81 CO 0.00 -0.83 0.50 -1.64 0.04 0.00 0.00 177.00 175.07 3g96 s MET 82 N -2.96 3.91 -0.23 4.56 -1.94 -0.57 -4.74 119.30 117.33 3g96 s MET 82 Ca 0.69 0.39 -0.02 0.00 -1.71 0.00 0.00 55.69 55.04 3g96 s MET 82 Cb -0.30 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.61 3g96 s MET 82 CO 0.35 0.50 -0.08 0.50 -0.01 0.00 0.00 175.02 176.28 3g96 s ARG 83 N -1.94 2.97 -0.15 2.03 3.52 -1.04 -1.36 118.95 122.98 3g96 s ARG 83 Ca 0.36 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 3g96 s ARG 83 Cb -0.15 -2.92 0.01 0.00 -1.56 0.00 0.00 34.95 30.33 3g96 s ARG 83 CO 0.19 -0.33 -0.19 0.42 -0.81 0.00 0.00 175.30 174.58 3g96 s ILE 84 N 1.35 2.33 0.34 4.11 1.01 -1.26 -0.85 121.20 128.22 3g96 s ILE 84 Ca 0.02 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.86 3g96 s ILE 84 Cb -0.16 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.29 3g96 s ILE 84 CO -0.06 0.53 -0.03 -1.10 0.00 0.00 0.00 174.94 174.29 3g96 s GLN 85 N 0.87 1.75 0.55 2.79 -0.21 -0.05 -4.99 119.66 120.36 3g96 s GLN 85 Ca -0.05 -1.94 -0.16 0.00 0.02 0.00 0.00 55.36 53.23 3g96 s GLN 85 Cb -0.15 -1.38 -0.06 0.00 1.00 0.00 0.00 33.01 32.42 3g96 s GLN 85 CO -0.02 0.00 1.02 0.71 -2.12 0.00 0.00 175.29 174.88 3g96 s TYR 86 N -2.87 3.20 0.15 0.91 2.02 -1.26 0.15 117.35 119.64 3g96 s TYR 86 Ca 0.33 1.50 -0.30 0.00 -0.37 0.00 0.00 57.07 58.22 3g96 s TYR 86 Cb 0.06 -2.91 -0.08 0.00 -0.40 0.00 0.00 41.96 38.63 3g96 s TYR 86 CO 0.15 -0.75 1.27 0.00 -1.57 0.00 0.00 175.55 174.65 3g96 s ALA 87 N -2.49 3.48 0.23 3.71 0.00 -0.85 -4.51 121.76 121.32 3g96 s ALA 87 Ca 0.62 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 53.50 3g96 s ALA 87 Cb -0.13 -3.46 0.22 0.00 0.00 0.00 0.00 23.12 19.74 3g96 s ALA 87 CO 0.33 -0.48 1.89 0.87 0.00 0.00 0.00 175.76 178.37 3g96 h LYS 88 N 5.95 1.05 -5.40 0.00 6.56 -1.94 -3.44 116.57 119.35 3g96 h LYS 88 Ca -0.43 -0.06 -0.41 0.00 -1.06 0.00 0.00 60.65 58.68 3g96 h LYS 88 Cb 1.21 -0.24 -0.16 0.00 -0.57 0.00 0.00 32.23 32.48 3g96 h LYS 88 CO 0.79 0.70 -0.74 0.95 -2.06 0.00 0.00 179.45 179.09 3g96 s THR 89 N -6.12 1.48 0.65 -0.16 -4.23 -1.26 -5.00 115.64 101.00 3g96 s THR 89 Ca -0.13 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.19 3g96 s THR 89 Cb 0.16 -1.85 -0.00 0.00 1.34 0.00 0.00 72.50 72.15 3g96 s THR 89 CO 0.79 -0.58 1.18 -1.81 -0.54 0.00 0.00 174.62 173.65 3g96 s ASP 90 N -3.03 4.86 0.77 3.99 1.11 -1.26 -4.97 116.67 118.15 3g96 s ASP 90 Ca 0.17 2.26 -0.11 0.00 0.18 0.00 0.00 52.55 55.05 3g96 s ASP 90 Cb -0.01 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.45 3g96 s ASP 90 CO 0.04 -1.81 1.08 -0.44 1.18 0.00 0.00 175.17 175.23 3g96 s SER 91 N -2.02 4.70 0.52 0.27 0.01 -1.26 -4.84 113.70 111.09 3g96 s SER 91 Ca 0.73 1.50 0.19 0.00 1.31 0.00 0.00 55.95 59.68 3g96 s SER 91 Cb -0.27 -2.27 1.32 0.00 0.21 0.00 0.00 66.02 65.01 3g96 s SER 91 CO 0.39 -1.86 2.10 0.44 0.41 0.00 0.00 173.24 174.72 3g96 h ASP 92 N -1.01 0.00 0.67 2.44 3.32 -1.95 -2.40 116.42 117.49 3g96 h ASP 92 Ca -0.46 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.38 3g96 h ASP 92 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3g96 h ASP 92 CO 0.57 0.00 -0.97 -0.29 -1.72 0.00 0.00 179.24 176.83 3g96 h ILE 93 N 0.00 1.54 0.16 0.35 2.10 -1.93 -2.73 117.51 117.00 3g96 h ILE 93 Ca 0.08 -2.85 -0.01 0.00 1.08 0.00 0.00 64.86 63.16 3g96 h ILE 93 Cb 0.31 2.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.67 3g96 h ILE 93 CO -0.00 0.83 -0.08 0.40 -1.08 0.00 0.00 178.15 178.22 3g96 h ILE 94 N 0.08 0.14 0.74 2.19 1.08 -1.82 -3.39 117.51 116.54 3g96 h ILE 94 Ca -0.06 -0.93 -0.04 0.00 -0.39 0.00 0.00 64.86 63.45 3g96 h ILE 94 Cb 1.65 0.26 0.01 0.00 -3.07 0.00 0.00 36.82 35.66 3g96 h ILE 94 CO 0.15 0.04 -0.35 0.00 -0.69 0.00 0.00 178.15 177.30 3g96 h ALA 95 N -0.96 -0.99 -0.03 1.87 0.00 -1.63 -3.50 119.26 114.03 3g96 h ALA 95 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3g96 h ALA 95 Cb 0.23 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3g96 h ALA 95 CO 0.04 -0.97 0.00 0.36 0.00 0.00 0.00 179.25 178.68