#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1drz n GLU 5 N 0.00 -3.16 -0.99 -0.52 0.28 -1.26 -4.98 120.64 110.01 1drz n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1drz n GLU 5 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1drz n GLU 5 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1drz n THR 6 N -0.25 0.00 -2.10 3.84 -2.24 -1.26 -5.08 114.28 107.19 1drz n THR 6 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1drz n THR 6 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1drz n THR 6 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1drz s ARG 7 N -0.69 3.11 0.76 -0.78 1.81 -1.26 -4.84 118.95 117.06 1drz s ARG 7 Ca 0.00 1.74 -0.16 0.00 -1.72 0.00 0.00 55.73 55.59 1drz s ARG 7 Cb 0.00 -1.96 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 1drz s ARG 7 CO 0.00 -1.08 0.38 -2.30 -0.68 0.00 0.00 175.30 171.62 1drz n PRO 8 N -1.50 0.18 -3.45 3.54 -0.02 -1.26 -4.80 135.00 127.69 1drz n PRO 8 Ca 0.13 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 1drz n PRO 8 Cb 0.50 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1drz n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1drz s ASN 9 N -1.48 -0.59 0.48 2.55 3.84 -1.26 -5.00 114.94 113.48 1drz s ASN 9 Ca 0.62 0.21 0.25 0.00 0.21 0.00 0.00 52.86 54.15 1drz s ASN 9 Cb -0.33 0.57 1.20 0.00 -0.55 0.00 0.00 41.25 42.14 1drz s ASN 9 CO 0.61 -0.85 1.96 0.45 -2.79 0.00 0.00 177.10 176.49 1drz h HIS 10 N 2.29 0.00 -3.10 0.43 3.86 -1.90 -3.44 115.15 113.29 1drz h HIS 10 Ca -0.31 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.23 1drz h HIS 10 Cb 1.26 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.60 1drz h HIS 10 CO 0.27 0.18 -0.57 0.99 0.86 0.00 0.00 177.93 179.67 1drz s THR 11 N -3.99 4.75 -0.10 2.45 2.01 -1.26 -1.02 115.64 118.48 1drz s THR 11 Ca -0.02 -0.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1drz s THR 11 Cb 0.12 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1drz s THR 11 CO 0.61 0.59 -0.02 0.27 -0.69 0.00 0.00 174.62 175.38 1drz s ILE 12 N -0.72 4.08 -0.30 1.82 -4.36 -0.25 -0.93 121.20 120.54 1drz s ILE 12 Ca 0.12 -0.32 -0.11 0.00 -0.26 0.00 0.00 60.65 60.07 1drz s ILE 12 Cb -0.12 -2.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 1drz s ILE 12 CO 0.02 0.57 0.20 -0.47 0.24 0.00 0.00 174.94 175.50 1drz s TYR 13 N -0.50 3.21 -0.10 1.37 6.14 0.21 -1.45 117.35 126.23 1drz s TYR 13 Ca 0.08 -0.06 -0.01 0.00 0.64 0.00 0.00 57.07 57.72 1drz s TYR 13 Cb -0.12 -2.40 -0.03 0.00 0.42 0.00 0.00 41.96 39.83 1drz s TYR 13 CO 0.02 -0.25 -0.06 0.42 0.64 0.00 0.00 175.55 176.32 1drz s ILE 14 N 1.73 3.78 0.31 3.14 1.01 0.78 -1.04 121.20 130.90 1drz s ILE 14 Ca 0.07 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1drz s ILE 14 Cb -0.16 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1drz s ILE 14 CO 0.10 0.56 0.33 -0.46 0.00 0.00 0.00 174.94 175.48 1drz n ASN 15 N 2.68 -0.89 -1.26 3.58 6.94 0.40 -0.92 115.26 125.78 1drz n ASN 15 Ca -0.18 -2.88 -0.09 0.00 -0.02 0.00 0.00 54.58 51.40 1drz n ASN 15 Cb 0.53 1.85 0.01 0.00 -2.36 0.00 0.00 39.78 39.80 1drz n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1drz n ASN 16 N -1.75 -3.36 -4.86 0.53 4.05 -1.02 -1.53 115.26 107.31 1drz n ASN 16 Ca 0.04 -0.07 -0.33 0.00 0.45 0.00 0.00 54.58 54.67 1drz n ASN 16 Cb 0.54 -2.45 -0.06 0.00 1.23 0.00 0.00 39.78 39.05 1drz n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1drz s LEU 17 N -2.93 4.24 -0.18 1.20 1.43 -0.81 -4.64 118.68 117.00 1drz s LEU 17 Ca 0.07 0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 53.84 1drz s LEU 17 Cb -0.03 -3.48 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 1drz s LEU 17 CO 0.09 0.01 2.16 -3.20 0.23 0.00 0.00 176.35 175.63 1drz n ASN 18 N 0.28 3.31 0.17 2.29 2.85 -1.26 -4.39 115.26 118.52 1drz n ASN 18 Ca -0.02 0.39 0.13 0.00 -0.11 0.00 0.00 54.58 54.97 1drz n ASN 18 Cb 0.52 -1.51 0.55 0.00 1.24 0.00 0.00 39.78 40.58 1drz n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1drz h GLU 19 N 13.66 0.00 0.00 1.20 5.08 -1.94 -3.05 114.58 129.54 1drz h GLU 19 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1drz h GLU 19 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1drz h GLU 19 CO 0.96 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.60 1drz n LYS 20 N -2.48 0.08 -3.02 2.33 5.02 -1.26 -4.80 118.16 114.03 1drz n LYS 20 Ca 0.02 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 56.03 1drz n LYS 20 Cb 0.25 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1drz n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1drz s ILE 21 N -3.05 4.95 0.78 -0.18 1.09 -1.15 -5.03 121.20 118.61 1drz s ILE 21 Ca 0.11 1.51 -0.14 0.00 -1.10 0.00 0.00 60.65 61.04 1drz s ILE 21 Cb 0.15 -4.07 0.07 0.00 -1.06 0.00 0.00 42.46 37.55 1drz s ILE 21 CO 0.50 0.29 1.22 -0.54 -0.10 0.00 0.00 174.94 176.30 1drz s LYS 22 N 0.53 1.79 0.13 2.79 1.02 -1.26 -4.76 119.74 119.99 1drz s LYS 22 Ca 0.38 1.81 -0.25 0.00 0.02 0.00 0.00 55.97 57.94 1drz s LYS 22 Cb -0.19 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1drz s LYS 22 CO 0.20 -2.11 1.63 -0.22 -0.92 0.00 0.00 175.35 173.92 1drz h LYS 23 N -0.65 -0.34 -0.94 1.68 3.64 -1.96 -1.39 116.57 116.62 1drz h LYS 23 Ca -0.47 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1drz h LYS 23 Cb 1.30 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.16 1drz h LYS 23 CO 0.47 -0.23 0.61 0.22 -2.27 0.00 0.00 179.45 178.25 1drz h ASP 24 N -0.36 1.09 -0.11 4.20 3.58 -1.97 -1.87 116.42 120.98 1drz h ASP 24 Ca 0.09 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 1drz h ASP 24 Cb 0.49 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1drz h ASP 24 CO -0.31 0.80 -0.23 -0.08 -2.88 0.00 0.00 179.24 176.54 1drz h GLU 25 N 1.28 0.35 -0.55 0.28 4.81 -1.90 -2.74 114.58 116.10 1drz h GLU 25 Ca 0.34 -0.23 0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1drz h GLU 25 Cb -0.13 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 1drz h GLU 25 CO -0.07 0.83 0.20 1.25 -0.73 0.00 0.00 179.01 180.49 1drz h LEU 26 N -0.08 0.20 -0.31 1.64 5.85 -1.07 -0.55 115.31 120.98 1drz h LEU 26 Ca 0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1drz h LEU 26 Cb 0.83 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1drz h LEU 26 CO 0.05 0.13 0.02 0.11 -0.34 0.00 0.00 178.44 178.41 1drz h LYS 27 N 0.38 0.11 -0.35 1.25 1.57 -1.31 -2.10 116.57 116.12 1drz h LYS 27 Ca 0.27 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1drz h LYS 27 Cb 0.31 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1drz h LYS 27 CO -0.28 0.07 0.06 0.87 -0.57 0.00 0.00 179.45 179.61 1drz h LYS 28 N 0.11 0.58 0.00 3.15 1.57 -1.10 -2.42 116.57 118.47 1drz h LYS 28 Ca 0.15 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1drz h LYS 28 Cb 0.19 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1drz h LYS 28 CO -0.23 0.65 -0.13 0.77 -0.57 0.00 0.00 179.45 179.93 1drz h SER 29 N 0.42 0.00 -0.03 0.86 0.02 -0.99 -1.50 113.55 112.33 1drz h SER 29 Ca 0.11 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 1drz h SER 29 Cb 0.35 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.90 1drz h SER 29 CO 0.01 0.13 -0.81 -0.07 -1.14 0.00 0.00 176.83 174.94 1drz h LEU 30 N 0.00 0.76 -0.60 5.07 3.38 -1.06 -2.55 115.31 120.32 1drz h LEU 30 Ca -0.00 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1drz h LEU 30 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1drz h LEU 30 CO 0.02 1.38 0.39 0.45 0.09 0.00 0.00 178.44 180.77 1drz h HIS 31 N 0.21 0.76 -0.68 1.13 3.86 -1.01 0.20 115.15 119.64 1drz h HIS 31 Ca -0.09 0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1drz h HIS 31 Cb 1.48 -0.26 -0.08 0.00 1.06 0.00 0.00 27.41 29.62 1drz h HIS 31 CO 0.12 0.49 0.27 0.00 0.86 0.00 0.00 177.93 179.67 1drz h ALA 32 N 1.22 0.91 0.08 2.45 0.00 -1.25 0.14 119.26 122.80 1drz h ALA 32 Ca 0.22 0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 1drz h ALA 32 Cb -0.08 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1drz h ALA 32 CO -0.05 -0.17 -1.13 0.82 0.00 0.00 0.00 179.25 178.72 1drz h ILE 33 N 0.45 1.40 0.00 0.00 5.03 -0.98 -3.39 117.51 120.02 1drz h ILE 33 Ca 0.35 -2.64 0.00 0.00 -0.12 0.00 0.00 64.86 62.45 1drz h ILE 33 Cb 0.46 2.67 0.00 0.00 -3.03 0.00 0.00 36.82 36.91 1drz h ILE 33 CO -0.33 0.79 -1.20 0.49 -0.68 0.00 0.00 178.15 177.21 1drz n PHE 34 N -3.69 0.00 0.23 1.37 3.72 0.66 -4.53 117.46 115.22 1drz n PHE 34 Ca -0.09 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.48 1drz n PHE 34 Cb 0.94 -0.13 0.86 0.00 -0.94 0.00 0.00 39.48 40.21 1drz n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1drz h SER 35 N 0.00 0.00 0.89 4.37 4.64 -0.93 -0.66 113.55 121.86 1drz h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1drz h SER 35 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1drz h SER 35 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1drz n ARG 36 N -3.71 0.22 0.00 4.77 -4.01 -1.26 -2.58 116.66 110.09 1drz n ARG 36 Ca 0.01 0.39 0.13 0.00 -1.04 0.00 0.00 57.85 57.34 1drz n ARG 36 Cb 0.29 -1.88 0.50 0.00 -3.04 0.00 0.00 32.46 28.32 1drz n ARG 36 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 1drz n PHE 37 N -2.29 0.00 -0.24 2.89 3.72 -0.25 -5.03 117.46 116.26 1drz n PHE 37 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1drz n PHE 37 Cb 0.27 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1drz n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1drz n GLY 38 N 1.48 -0.32 3.77 1.37 0.00 -1.07 -4.38 105.19 106.03 1drz n GLY 38 Ca 0.07 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1drz n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1drz s GLN 39 N -1.47 4.34 -0.17 1.61 0.74 -1.26 -4.70 119.66 118.75 1drz s GLN 39 Ca 0.00 2.13 -0.01 0.00 0.05 0.00 0.00 55.36 57.53 1drz s GLN 39 Cb 0.00 -3.03 -0.00 0.00 1.10 0.00 0.00 33.01 31.08 1drz s GLN 39 CO 0.00 -0.17 -0.12 0.42 -0.55 0.00 0.00 175.29 174.87 1drz s ILE 40 N -1.17 2.88 0.09 -2.34 1.01 -1.26 -2.01 121.20 118.39 1drz s ILE 40 Ca 0.50 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 1drz s ILE 40 Cb -0.38 -2.24 -0.23 0.00 0.01 0.00 0.00 42.46 39.62 1drz s ILE 40 CO 0.50 0.49 1.22 -0.07 0.00 0.00 0.00 174.94 177.08 1drz h LEU 41 N 7.48 0.73 -7.08 2.97 3.38 -0.64 -3.48 115.31 118.68 1drz h LEU 41 Ca -0.35 -0.61 0.34 0.00 0.09 0.00 0.00 57.88 57.34 1drz h LEU 41 Cb 1.18 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.55 1drz h LEU 41 CO 0.59 1.42 0.90 -0.62 0.09 0.00 0.00 178.44 180.82 1drz s ASP 42 N -7.23 -0.05 -0.09 -0.43 2.15 -1.20 -5.03 116.67 104.80 1drz s ASP 42 Ca -0.08 -0.05 -0.00 0.00 0.43 0.00 0.00 52.55 52.85 1drz s ASP 42 Cb 0.07 0.09 0.02 0.00 -0.30 0.00 0.00 42.92 42.80 1drz s ASP 42 CO 0.90 -0.15 -0.06 -0.63 -0.17 0.00 0.00 175.17 175.06 1drz s ILE 43 N -2.23 0.82 -0.20 4.11 1.01 -1.26 -1.46 121.20 121.98 1drz s ILE 43 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1drz s ILE 43 Cb 0.04 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1drz s ILE 43 CO -0.05 0.33 0.03 -0.76 0.00 0.00 0.00 174.94 174.49 1drz s LEU 44 N 1.61 3.43 -0.01 2.97 2.01 -0.51 -4.97 118.68 123.20 1drz s LEU 44 Ca 0.02 -0.13 0.02 0.00 0.01 0.00 0.00 54.13 54.05 1drz s LEU 44 Cb -0.13 -1.88 -0.00 0.00 0.01 0.00 0.00 46.19 44.19 1drz s LEU 44 CO -0.06 0.08 -0.06 -0.69 1.01 0.00 0.00 176.35 176.63 1drz s VAL 45 N 0.94 0.52 0.02 -1.59 1.01 -1.26 -2.21 120.40 117.84 1drz s VAL 45 Ca 0.02 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1drz s VAL 45 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1drz s VAL 45 CO 0.02 0.16 -0.06 -0.55 0.00 0.00 0.00 175.10 174.67 1drz s SER 46 N 0.01 0.65 -0.06 3.32 0.15 -1.26 -5.03 113.70 111.48 1drz s SER 46 Ca 0.00 -0.39 0.15 0.00 0.70 0.00 0.00 55.95 56.41 1drz s SER 46 Cb -0.04 0.02 0.47 0.00 -1.71 0.00 0.00 66.02 64.75 1drz s SER 46 CO -0.00 -0.14 1.39 0.54 1.20 0.00 0.00 173.24 176.23 1drz n ARG 47 N 1.96 3.03 -0.64 5.44 1.74 -1.26 -3.45 116.66 123.48 1drz n ARG 47 Ca -0.20 -2.43 -0.29 0.00 -0.77 0.00 0.00 57.85 54.16 1drz n ARG 47 Cb 0.56 -1.53 0.22 0.00 -1.02 0.00 0.00 32.46 30.69 1drz n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1drz s SER 48 N -1.17 1.67 0.38 0.55 1.04 -1.26 -4.51 113.70 110.40 1drz s SER 48 Ca 0.35 1.69 0.10 0.00 0.48 0.00 0.00 55.95 58.57 1drz s SER 48 Cb 0.22 -2.36 0.86 0.00 0.10 0.00 0.00 66.02 64.84 1drz s SER 48 CO 0.18 -3.80 1.93 0.25 0.98 0.00 0.00 173.24 172.78 1drz h LEU 49 N -2.35 0.57 -1.80 2.42 5.85 -2.07 -1.50 115.31 116.43 1drz h LEU 49 Ca -0.56 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1drz h LEU 49 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1drz h LEU 49 CO 0.48 0.33 0.02 0.29 -0.34 0.00 0.00 178.44 179.22 1drz n LYS 50 N -4.50 2.04 -1.50 1.25 4.01 -1.26 -5.06 118.16 113.14 1drz n LYS 50 Ca 0.13 -0.89 0.01 0.00 -0.51 0.00 0.00 58.31 57.04 1drz n LYS 50 Cb 0.36 -1.68 -0.00 0.00 -0.51 0.00 0.00 35.03 33.19 1drz n LYS 50 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1drz n ARG 52 N 0.16 -3.47 -0.99 1.97 1.85 -0.57 -4.99 116.66 110.63 1drz n ARG 52 Ca 0.09 2.70 0.00 0.00 -1.00 0.00 0.00 57.85 59.63 1drz n ARG 52 Cb 0.55 -3.48 0.00 0.00 -1.05 0.00 0.00 32.46 28.48 1drz n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1drz n GLY 53 N -2.61 0.40 3.26 2.89 0.00 -1.26 -4.97 105.19 102.91 1drz n GLY 53 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1drz n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1drz s GLN 54 N -0.49 1.08 -0.07 1.61 -0.21 -1.26 -1.92 119.66 118.39 1drz s GLN 54 Ca 0.00 -1.30 -0.22 0.00 0.02 0.00 0.00 55.36 53.86 1drz s GLN 54 Cb 0.00 -0.96 0.05 0.00 1.00 0.00 0.00 33.01 33.10 1drz s GLN 54 CO 0.00 0.18 0.50 0.00 -2.12 0.00 0.00 175.29 173.85 1drz s ALA 55 N -2.28 -1.28 -0.21 6.09 0.00 -0.10 -4.51 121.76 119.47 1drz s ALA 55 Ca 0.11 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1drz s ALA 55 Cb -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1drz s ALA 55 CO 0.04 -0.30 -0.11 -0.06 0.00 0.00 0.00 175.76 175.32 1drz s PHE 56 N -0.87 2.92 -0.30 0.00 0.40 -0.94 -0.16 117.98 119.04 1drz s PHE 56 Ca -0.09 -1.44 -0.07 0.00 -0.60 0.00 0.00 56.93 54.72 1drz s PHE 56 Cb -0.03 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.50 1drz s PHE 56 CO 0.05 -0.71 0.09 0.08 0.70 0.00 0.00 175.22 175.43 1drz s VAL 57 N 1.35 4.04 -0.47 -0.44 1.01 -0.53 -1.43 120.40 123.93 1drz s VAL 57 Ca 0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1drz s VAL 57 Cb -0.15 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1drz s VAL 57 CO -0.08 0.05 0.58 -0.63 0.00 0.00 0.00 175.10 175.02 1drz s ILE 58 N 1.51 4.93 0.17 2.22 1.01 -0.54 -1.09 121.20 129.41 1drz s ILE 58 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 1drz s ILE 58 Cb -0.17 -4.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 1drz s ILE 58 CO 0.03 -0.66 0.47 -0.36 0.00 0.00 0.00 174.94 174.42 1drz s PHE 59 N 2.52 3.48 0.14 3.97 0.08 -0.19 0.12 117.98 128.10 1drz s PHE 59 Ca 0.16 0.76 0.29 0.00 0.12 0.00 0.00 56.93 58.26 1drz s PHE 59 Cb -0.18 -2.16 1.19 0.00 -0.57 0.00 0.00 43.02 41.30 1drz s PHE 59 CO 0.14 0.38 1.93 -0.22 -0.10 0.00 0.00 175.22 177.34 1drz h LYS 60 N 2.88 0.00 -4.35 0.44 3.64 -1.70 -3.43 116.57 114.06 1drz h LYS 60 Ca -0.47 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.48 1drz h LYS 60 Cb 1.17 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.67 1drz h LYS 60 CO 0.70 0.10 -0.79 -1.21 -2.27 0.00 0.00 179.45 175.99 1drz s GLU 61 N -3.70 1.04 0.50 1.90 2.02 -1.26 -5.04 118.70 114.16 1drz s GLU 61 Ca 0.01 -0.24 0.23 0.00 0.02 0.00 0.00 54.97 54.98 1drz s GLU 61 Cb 0.10 -0.96 1.30 0.00 0.10 0.00 0.00 34.13 34.67 1drz s GLU 61 CO 0.59 0.02 1.96 0.28 0.02 0.00 0.00 175.26 178.12 1drz h VAL 62 N 5.80 0.73 -0.32 2.63 2.07 -1.85 -1.09 116.25 124.22 1drz h VAL 62 Ca -0.35 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1drz h VAL 62 Cb 1.17 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1drz h VAL 62 CO 0.48 0.02 -0.01 0.77 0.02 0.00 0.00 177.57 178.86 1drz h SER 63 N 0.13 0.46 -0.10 0.57 4.64 -1.96 0.42 113.55 117.70 1drz h SER 63 Ca 0.31 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1drz h SER 63 Cb 1.05 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1drz h SER 63 CO -0.04 0.53 0.03 0.28 -0.87 0.00 0.00 176.83 176.77 1drz h SER 64 N 0.47 0.14 -1.01 4.97 0.02 -1.40 -0.52 113.55 116.22 1drz h SER 64 Ca 0.10 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1drz h SER 64 Cb 0.32 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1drz h SER 64 CO 0.01 0.29 0.67 0.00 -1.14 0.00 0.00 176.83 176.66 1drz h ALA 65 N 0.86 1.29 -0.50 3.77 0.00 -1.36 0.31 119.26 123.63 1drz h ALA 65 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1drz h ALA 65 Cb 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1drz h ALA 65 CO -0.00 0.65 0.13 1.15 0.00 0.00 0.00 179.25 181.18 1drz h THR 66 N 1.35 1.24 -0.22 0.00 2.02 -0.62 -1.29 112.91 115.39 1drz h THR 66 Ca 0.37 -0.82 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 1drz h THR 66 Cb -0.13 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1drz h THR 66 CO -0.09 0.30 -0.35 -1.13 0.37 0.00 0.00 175.52 174.62 1drz h ASN 67 N 0.68 0.68 -0.37 4.18 -1.24 -0.69 -2.56 115.58 116.25 1drz h ASN 67 Ca 0.16 -0.52 -0.01 0.00 0.71 0.00 0.00 56.30 56.64 1drz h ASN 67 Cb 0.31 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 1drz h ASN 67 CO -0.00 1.08 0.22 0.00 -1.29 0.00 0.00 177.43 177.44 1drz h ALA 68 N 0.63 1.64 -0.25 1.57 0.00 -0.90 -0.85 119.26 121.10 1drz h ALA 68 Ca 0.02 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1drz h ALA 68 Cb 0.94 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1drz h ALA 68 CO 0.08 0.30 -0.53 1.25 0.00 0.00 0.00 179.25 180.35 1drz h LEU 69 N 0.55 0.82 -0.02 0.00 5.85 -1.13 -3.30 115.31 118.08 1drz h LEU 69 Ca 0.14 -0.43 -0.14 0.00 0.84 0.00 0.00 57.88 58.29 1drz h LEU 69 Cb 0.01 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 40.81 1drz h LEU 69 CO -0.02 1.19 -0.52 0.03 -0.34 0.00 0.00 178.44 178.78 1drz h ARG 70 N 0.57 0.39 -0.61 1.25 3.08 -1.03 -3.23 114.38 114.81 1drz h ARG 70 Ca 0.02 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1drz h ARG 70 Cb 1.11 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1drz h ARG 70 CO 0.11 1.06 0.00 0.45 -1.07 0.00 0.00 179.97 180.52 1drz n SER 71 N -4.27 0.60 -0.63 7.04 2.88 -0.36 -5.02 113.62 113.85 1drz n SER 71 Ca -0.10 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 1drz n SER 71 Cb 0.63 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1drz n SER 71 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1drz n GLN 73 N 0.32 -0.51 -1.00 -1.46 -0.06 -1.22 -4.88 117.38 108.57 1drz n GLN 73 Ca 0.00 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.80 1drz n GLN 73 Cb 0.14 -0.39 0.00 0.00 -4.06 0.00 0.00 30.24 25.93 1drz n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1drz n GLY 74 N 0.16 0.46 3.70 1.69 0.00 -1.26 -4.99 105.19 104.95 1drz n GLY 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1drz n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1drz s PHE 75 N -1.96 2.50 -0.41 1.61 5.36 -1.26 -4.59 117.98 119.23 1drz s PHE 75 Ca 0.00 0.20 -0.28 0.00 -0.96 0.00 0.00 56.93 55.89 1drz s PHE 75 Cb 0.00 -4.11 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 1drz s PHE 75 CO 0.00 -4.42 1.81 -2.14 -1.46 0.00 0.00 175.22 169.01 1drz s PRO 76 N 2.11 3.14 -0.12 10.12 0.02 -1.26 -4.41 135.00 144.60 1drz s PRO 76 Ca 0.77 1.20 0.02 0.00 0.02 0.00 0.00 61.00 63.00 1drz s PRO 76 Cb -0.46 -4.24 0.02 0.00 0.02 0.00 0.00 34.50 29.83 1drz s PRO 76 CO 0.34 -2.09 -0.17 0.12 -0.33 0.00 0.00 177.00 174.87 1drz s PHE 77 N 7.49 2.18 -1.59 6.54 5.36 -0.32 -4.63 117.98 133.01 1drz s PHE 77 Ca 0.76 -1.09 -0.15 0.00 -0.96 0.00 0.00 56.93 55.49 1drz s PHE 77 Cb -0.19 -1.56 0.11 0.00 -0.34 0.00 0.00 43.02 41.04 1drz s PHE 77 CO 0.30 -0.55 0.89 0.66 -1.46 0.00 0.00 175.22 175.05 1drz n TYR 78 N 4.29 -2.06 -1.03 10.12 4.01 -1.26 -1.71 117.16 129.52 1drz n TYR 78 Ca -0.19 0.86 -0.01 0.00 -0.16 0.00 0.00 57.90 58.40 1drz n TYR 78 Cb 0.51 -3.60 -0.00 0.00 -0.31 0.00 0.00 39.34 35.94 1drz n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1drz n ASP 79 N -2.78 -4.08 -4.03 7.72 8.00 -1.26 -4.79 116.55 115.33 1drz n ASP 79 Ca 0.03 0.03 -0.19 0.00 0.71 0.00 0.00 54.79 55.37 1drz n ASP 79 Cb 0.52 -1.67 -0.15 0.00 -0.02 0.00 0.00 41.12 39.81 1drz n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1drz s LYS 80 N -0.99 0.78 0.00 -1.24 1.02 -0.69 -5.08 119.74 113.54 1drz s LYS 80 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1drz s LYS 80 Cb 0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 1drz s LYS 80 CO 0.00 0.20 0.00 -2.30 -0.92 0.00 0.00 175.35 172.33 1drz n PRO 81 N 2.86 -0.68 -3.61 -1.68 -0.02 -1.26 -1.18 135.00 129.42 1drz n PRO 81 Ca -0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.31 1drz n PRO 81 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.99 1drz n PRO 81 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1drz s ARG 83 N -2.25 0.56 -0.01 -0.52 0.52 -0.58 -4.82 118.95 111.85 1drz s ARG 83 Ca 0.00 1.17 0.07 0.00 -0.52 0.00 0.00 55.73 56.45 1drz s ARG 83 Cb 0.00 0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.89 1drz s ARG 83 CO 0.00 -0.15 -0.23 0.42 0.02 0.00 0.00 175.30 175.36 1drz s ILE 84 N 2.16 1.81 0.16 1.52 1.01 -1.26 -0.46 121.20 126.14 1drz s ILE 84 Ca -0.07 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1drz s ILE 84 Cb -0.07 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1drz s ILE 84 CO -0.19 0.49 0.24 -1.10 0.00 0.00 0.00 174.94 174.38 1drz s GLN 85 N -0.60 1.13 0.43 2.79 -0.21 -0.21 -4.99 119.66 117.99 1drz s GLN 85 Ca 0.09 -1.25 -0.22 0.00 0.02 0.00 0.00 55.36 54.00 1drz s GLN 85 Cb -0.09 0.35 -0.09 0.00 1.00 0.00 0.00 33.01 34.18 1drz s GLN 85 CO -0.01 -0.40 1.02 0.71 -2.12 0.00 0.00 175.29 174.50 1drz s TYR 86 N -3.99 3.22 0.45 0.91 2.02 -1.26 0.64 117.35 119.33 1drz s TYR 86 Ca 0.20 1.63 -0.24 0.00 -0.37 0.00 0.00 57.07 58.29 1drz s TYR 86 Cb 0.04 -3.05 -0.07 0.00 -0.40 0.00 0.00 41.96 38.48 1drz s TYR 86 CO 0.01 -0.55 1.19 0.00 -1.57 0.00 0.00 175.55 174.64 1drz s ALA 87 N -1.85 3.02 0.39 3.71 0.00 -0.11 -4.50 121.76 122.43 1drz s ALA 87 Ca 0.61 1.00 0.11 0.00 0.00 0.00 0.00 51.96 53.68 1drz s ALA 87 Cb -0.18 -3.41 0.78 0.00 0.00 0.00 0.00 23.12 20.32 1drz s ALA 87 CO 0.22 -0.70 1.88 0.87 0.00 0.00 0.00 175.76 178.03 1drz h LYS 88 N 2.18 0.10 -5.14 0.00 1.57 -1.92 -3.45 116.57 109.91 1drz h LYS 88 Ca -0.49 -0.03 -0.35 0.00 -1.87 0.00 0.00 60.65 57.90 1drz h LYS 88 Cb 1.25 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.38 1drz h LYS 88 CO 0.61 0.35 -0.74 0.99 -0.57 0.00 0.00 179.45 180.09 1drz s THR 89 N -4.47 1.13 0.53 -0.16 2.01 -1.26 -5.00 115.64 108.42 1drz s THR 89 Ca -0.04 -1.78 -0.21 0.00 0.31 0.00 0.00 61.69 59.97 1drz s THR 89 Cb 0.15 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 1drz s THR 89 CO 0.73 -0.56 1.18 -1.81 -0.69 0.00 0.00 174.62 173.46 1drz s ASP 90 N -2.64 5.69 0.42 3.53 1.01 -1.26 -4.94 116.67 118.48 1drz s ASP 90 Ca 0.10 2.33 -0.14 0.00 0.71 0.00 0.00 52.55 55.55 1drz s ASP 90 Cb -0.02 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 1drz s ASP 90 CO 0.01 -1.25 0.83 -0.44 0.21 0.00 0.00 175.17 174.53 1drz s SER 91 N -1.52 6.62 0.33 0.27 0.01 -1.26 -4.90 113.70 113.26 1drz s SER 91 Ca 0.71 1.31 0.06 0.00 1.31 0.00 0.00 55.95 59.34 1drz s SER 91 Cb -0.29 -2.39 0.72 0.00 0.21 0.00 0.00 66.02 64.27 1drz s SER 91 CO 0.33 -0.41 1.85 0.44 0.41 0.00 0.00 173.24 175.86 1drz h ASP 92 N 1.41 0.76 -0.58 2.44 5.19 -1.98 -1.30 116.42 122.36 1drz h ASP 92 Ca -0.47 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.01 1drz h ASP 92 Cb 1.18 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1drz h ASP 92 CO 0.63 0.39 0.38 0.40 -3.12 0.00 0.00 179.24 177.92 1drz h ILE 93 N 0.81 1.10 0.14 0.35 1.08 -1.97 0.83 117.51 119.85 1drz h ILE 93 Ca 0.47 -0.25 -0.30 0.00 -0.39 0.00 0.00 64.86 64.39 1drz h ILE 93 Cb 0.64 0.32 0.03 0.00 -3.07 0.00 0.00 36.82 34.75 1drz h ILE 93 CO -0.24 0.13 -1.28 0.40 -0.69 0.00 0.00 178.15 176.48 1drz h ILE 94 N 0.71 1.29 -0.09 -0.67 1.08 -1.64 -3.29 117.51 114.90 1drz h ILE 94 Ca 0.22 -2.50 -0.19 0.00 -0.39 0.00 0.00 64.86 62.00 1drz h ILE 94 Cb 0.02 2.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.50 1drz h ILE 94 CO -0.06 0.76 -0.75 0.00 -0.69 0.00 0.00 178.15 177.42 1drz h ALA 95 N 0.28 0.53 0.00 1.87 0.00 -1.03 -3.22 119.26 117.70 1drz h ALA 95 Ca -0.20 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1drz h ALA 95 Cb 1.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1drz h ALA 95 CO 0.24 0.75 0.00 1.17 0.00 0.00 0.00 179.25 181.41 1drz n LYS 96 N -3.85 0.02 0.00 0.00 4.81 0.29 -5.09 118.16 114.33 1drz n LYS 96 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1drz n LYS 96 Cb 0.72 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.60 1drz n LYS 96 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20