#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cao n ASP 3 N 0.00 2.61 -4.73 -1.84 10.43 -1.26 -4.85 116.55 116.91 3cao n ASP 3 Ca 0.00 -1.90 -0.41 0.00 2.57 0.00 0.00 54.79 55.05 3cao n ASP 3 Cb 0.00 -0.23 -0.04 0.00 1.84 0.00 0.00 41.12 42.69 3cao n ASP 3 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3cao s MET 4 N -1.54 4.55 0.00 -1.24 1.75 -1.26 -4.90 119.30 116.67 3cao s MET 4 Ca 0.35 1.70 0.00 0.00 -1.25 0.00 0.00 55.69 56.49 3cao s MET 4 Cb 0.19 -3.31 0.00 0.00 2.84 0.00 0.00 34.83 34.55 3cao s MET 4 CO 0.27 -0.02 0.00 0.25 -0.65 0.00 0.00 175.02 174.87 3cao n THR 5 N 2.89 0.00 -4.16 10.11 -2.24 -1.23 -3.26 114.28 116.39 3cao n THR 5 Ca 0.05 -0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 3cao n THR 5 Cb 0.47 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 3cao n THR 5 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3cao s HIS 6 N -1.27 0.86 0.33 4.78 3.76 -1.16 -1.40 115.29 121.19 3cao s HIS 6 Ca 0.00 -1.11 -0.28 0.00 -0.15 0.00 0.00 55.06 53.52 3cao s HIS 6 Cb 0.00 -0.51 -0.10 0.00 1.11 0.00 0.00 32.58 33.08 3cao s HIS 6 CO 0.00 -0.37 1.18 0.08 -0.85 0.00 0.00 174.74 174.78 3cao s VAL 7 N -3.88 3.15 0.32 -0.90 1.01 -0.57 -4.79 120.40 114.74 3cao s VAL 7 Ca 0.18 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 3cao s VAL 7 Cb 0.07 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3cao s VAL 7 CO -0.01 0.23 1.06 -2.65 0.00 0.00 0.00 175.10 173.72 3cao n PRO 8 N 0.79 1.50 0.00 2.72 -0.02 -1.26 -4.63 135.00 134.09 3cao n PRO 8 Ca 0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3cao n PRO 8 Cb 0.44 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3cao n PRO 8 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3cao n THR 9 N 0.13 0.00 -0.33 3.45 -2.24 -1.26 -4.84 114.28 109.18 3cao n THR 9 Ca 0.09 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 3cao n THR 9 Cb 0.34 1.47 0.21 0.00 -2.10 0.00 0.00 70.33 70.25 3cao n THR 9 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3cao h ASP 10 N 0.00 0.97 0.15 3.42 3.32 -1.92 -1.03 116.42 121.34 3cao h ASP 10 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cao h ASP 10 Cb 0.24 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3cao h ASP 10 CO 0.00 0.64 -0.02 0.00 -1.72 0.00 0.00 179.24 178.14 3cao h ALA 11 N 1.48 1.18 0.00 3.45 0.00 -2.02 -2.27 119.26 121.08 3cao h ALA 11 Ca 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3cao h ALA 11 Cb 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3cao h ALA 11 CO -0.14 0.02 -0.01 0.74 0.00 0.00 0.00 179.25 179.86 3cao h PHE 12 N 0.00 0.00 0.00 0.00 -1.00 -1.55 -3.48 116.94 110.91 3cao h PHE 12 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3cao h PHE 12 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 3cao h PHE 12 CO 0.00 0.01 0.00 0.41 -1.61 0.00 0.00 178.31 177.12 3cao n GLY 13 N 0.90 1.90 3.68 -1.45 0.00 -0.86 -4.74 105.19 104.63 3cao n GLY 13 Ca 0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3cao n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cao s LYS 14 N 0.00 4.17 0.17 1.61 2.20 -1.26 -4.93 119.74 121.70 3cao s LYS 14 Ca 0.00 2.45 -0.23 0.00 -0.36 0.00 0.00 55.97 57.83 3cao s LYS 14 Cb 0.00 -3.73 -0.08 0.00 -1.51 0.00 0.00 37.83 32.51 3cao s LYS 14 CO 0.00 -0.82 0.73 -0.51 -0.36 0.00 0.00 175.35 174.40 3cao s LEU 15 N 3.12 4.50 0.03 5.43 1.43 -1.26 -4.98 118.68 126.96 3cao s LEU 15 Ca 0.79 1.52 -0.17 0.00 -1.03 0.00 0.00 54.13 55.24 3cao s LEU 15 Cb -0.42 -3.35 -0.25 0.00 0.03 0.00 0.00 46.19 42.20 3cao s LEU 15 CO 0.35 0.16 1.11 -0.33 0.23 0.00 0.00 176.35 177.86 3cao h GLU 16 N 4.04 0.54 -6.38 1.70 5.08 -1.97 -3.47 114.58 114.11 3cao h GLU 16 Ca -0.48 -0.64 -0.62 0.00 -1.00 0.00 0.00 59.36 56.63 3cao h GLU 16 Cb 1.20 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 30.50 3cao h GLU 16 CO 0.65 1.25 -0.76 1.03 -1.00 0.00 0.00 179.01 180.18 3cao s ARG 17 N -3.12 1.74 0.54 2.33 1.81 -1.26 -5.12 118.95 115.87 3cao s ARG 17 Ca -0.11 -1.58 -0.19 0.00 -1.72 0.00 0.00 55.73 52.12 3cao s ARG 17 Cb 0.05 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.57 3cao s ARG 17 CO 0.88 0.37 0.62 -2.30 -0.68 0.00 0.00 175.30 174.19 3cao n PRO 18 N -0.27 0.64 -1.73 3.54 -0.02 -1.26 -4.93 135.00 130.96 3cao n PRO 18 Ca -0.08 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 3cao n PRO 18 Cb 0.58 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3cao n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cao n ALA 19 N -1.48 1.73 -2.14 3.55 0.00 -1.26 -4.66 120.51 116.25 3cao n ALA 19 Ca 0.12 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 3cao n ALA 19 Cb 0.46 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 3cao n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cao s ALA 20 N -1.16 3.61 0.23 0.00 0.00 -1.26 -4.23 121.76 118.96 3cao s ALA 20 Ca 0.58 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 3cao s ALA 20 Cb -0.50 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 18.96 3cao s ALA 20 CO 0.60 -0.68 1.57 0.08 0.00 0.00 0.00 175.76 177.33 3cao s VAL 21 N 1.31 2.37 -0.42 0.00 1.01 -0.48 -1.52 120.40 122.68 3cao s VAL 21 Ca 0.65 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3cao s VAL 21 Cb -0.37 -3.19 0.20 0.00 0.00 0.00 0.00 36.38 33.02 3cao s VAL 21 CO 0.30 0.04 0.90 0.12 0.00 0.00 0.00 175.10 176.45 3cao s PHE 22 N 0.54 -0.99 -0.98 5.22 5.36 -0.49 -4.78 117.98 121.86 3cao s PHE 22 Ca 0.66 -0.23 -0.24 0.00 -0.96 0.00 0.00 56.93 56.17 3cao s PHE 22 Cb -0.45 0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.47 3cao s PHE 22 CO 0.39 -0.76 1.43 1.21 -1.46 0.00 0.00 175.22 176.03 3cao s ASN 23 N 1.15 6.44 0.16 6.13 3.84 -1.24 -2.97 114.94 128.46 3cao s ASN 23 Ca 0.24 -1.30 -0.30 0.00 0.21 0.00 0.00 52.86 51.71 3cao s ASN 23 Cb 0.05 -2.57 -0.05 0.00 -0.55 0.00 0.00 41.25 38.13 3cao s ASN 23 CO -0.09 -1.57 1.54 -0.74 -2.79 0.00 0.00 177.10 173.46 3cao h HIS 24 N 9.85 -1.84 -0.10 0.43 -0.00 -1.89 0.28 115.15 121.87 3cao h HIS 24 Ca 0.13 0.13 -0.18 0.00 -0.00 0.00 0.00 60.37 60.45 3cao h HIS 24 Cb 1.02 0.93 -0.01 0.00 -0.00 0.00 0.00 27.41 29.35 3cao h HIS 24 CO 1.26 -0.37 -0.68 -0.44 -0.00 0.00 0.00 177.93 177.70 3cao h ASP 25 N -0.01 0.51 -0.11 3.26 3.32 -1.88 -1.55 116.42 119.95 3cao h ASP 25 Ca 0.17 -0.31 -0.16 0.00 0.02 0.00 0.00 57.03 56.75 3cao h ASP 25 Cb 0.43 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3cao h ASP 25 CO -0.94 1.04 -0.48 -0.33 -1.72 0.00 0.00 179.24 176.81 3cao h GLU 26 N 0.31 0.68 0.17 3.56 4.39 -1.73 -2.36 114.58 119.59 3cao h GLU 26 Ca -0.02 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.30 3cao h GLU 26 Cb 1.24 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 3cao h GLU 26 CO 0.12 1.01 -0.20 1.25 -1.16 0.00 0.00 179.01 180.02 3cao h HIS 27 N 0.54 -0.53 -0.50 4.33 -0.00 -0.35 -1.19 115.15 117.44 3cao h HIS 27 Ca 0.03 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.31 3cao h HIS 27 Cb 1.03 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.63 3cao h HIS 27 CO 0.05 -0.30 -0.07 -0.91 -0.00 0.00 0.00 177.93 176.70 3cao h ASN 28 N -0.42 0.88 -0.21 3.26 2.35 -1.22 0.75 115.58 120.97 3cao h ASN 28 Ca 0.01 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3cao h ASN 28 Cb 0.41 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3cao h ASN 28 CO -0.07 0.98 0.13 -0.08 -1.65 0.00 0.00 177.43 176.74 3cao h GLU 29 N 0.81 0.26 -0.30 0.81 4.81 -1.24 -0.94 114.58 118.78 3cao h GLU 29 Ca 0.14 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3cao h GLU 29 Cb 0.58 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3cao h GLU 29 CO 0.04 0.17 -0.36 0.87 -0.73 0.00 0.00 179.01 179.00 3cao h LYS 30 N 0.27 0.69 0.00 1.92 1.57 -0.83 -2.53 116.57 117.65 3cao h LYS 30 Ca 0.08 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3cao h LYS 30 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3cao h LYS 30 CO -0.03 0.94 0.00 0.00 -0.57 0.00 0.00 179.45 179.79 3cao n ALA 31 N -2.51 2.01 -2.29 3.86 0.00 0.22 -4.90 120.51 116.90 3cao n ALA 31 Ca -0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 3cao n ALA 31 Cb 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3cao n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cao n GLY 32 N 0.74 0.19 3.58 0.00 0.00 -0.74 -4.99 105.19 103.98 3cao n GLY 32 Ca 0.04 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3cao n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cao s ILE 33 N -2.50 4.94 -0.19 -0.61 1.01 -0.43 -4.91 121.20 118.51 3cao s ILE 33 Ca 0.04 0.63 0.18 0.00 0.00 0.00 0.00 60.65 61.50 3cao s ILE 33 Cb -0.02 -4.02 -0.25 0.00 0.01 0.00 0.00 42.46 38.18 3cao s ILE 33 CO 0.05 -0.22 0.09 -0.62 0.00 0.00 0.00 174.94 174.24 3cao n GLU 34 N 5.91 0.74 -3.20 2.79 -0.58 -1.26 -4.73 120.64 120.31 3cao n GLU 34 Ca -0.02 -0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.30 3cao n GLU 34 Cb 0.49 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 3cao n GLU 34 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3cao s SER 35 N -5.39 6.51 0.33 1.62 0.01 -1.26 -4.96 113.70 110.56 3cao s SER 35 Ca -0.10 0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.82 3cao s SER 35 Cb 0.06 -2.30 0.56 0.00 0.21 0.00 0.00 66.02 64.56 3cao s SER 35 CO 0.82 -0.28 1.87 0.00 0.41 0.00 0.00 173.24 176.07 3cao n ASN 37 N -4.29 0.00 -0.31 0.00 0.23 -1.26 -1.08 115.26 108.54 3cao n ASN 37 Ca 0.02 -1.59 0.13 0.00 -0.53 0.00 0.00 54.58 52.61 3cao n ASN 37 Cb 0.23 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.28 3cao n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cao h ALA 38 N 2.88 1.79 0.00 -2.53 0.00 -1.77 -3.35 119.26 116.28 3cao h ALA 38 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3cao h ALA 38 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3cao h ALA 38 CO 0.00 -0.08 -1.43 0.00 0.00 0.00 0.00 179.25 177.73 3cao n HIS 40 N -3.15 4.10 -2.80 0.00 8.25 -0.24 -4.96 115.22 116.42 3cao n HIS 40 Ca -0.15 -3.00 -0.23 0.00 -0.26 0.00 0.00 57.72 54.08 3cao n HIS 40 Cb 0.62 -2.34 0.02 0.00 1.12 0.00 0.00 29.99 29.41 3cao n HIS 40 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3cao s HIS 41 N 2.38 3.14 -0.30 4.41 -3.43 -1.26 -1.07 115.29 119.17 3cao s HIS 41 Ca 0.46 0.24 0.02 0.00 -0.80 0.00 0.00 55.06 54.98 3cao s HIS 41 Cb 0.06 -2.49 0.09 0.00 -1.43 0.00 0.00 32.58 28.80 3cao s HIS 41 CO 0.00 -0.57 0.02 0.08 -2.00 0.00 0.00 174.74 172.27 3cao s VAL 42 N -2.68 1.79 -0.21 -5.38 1.01 -1.26 -4.09 120.40 109.58 3cao s VAL 42 Ca 0.51 -1.80 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 3cao s VAL 42 Cb -0.10 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3cao s VAL 42 CO 0.39 -0.43 0.07 0.26 0.00 0.00 0.00 175.10 175.39 3cao s TRP 43 N 1.19 3.16 -0.09 5.22 0.52 -1.26 -0.71 118.94 126.98 3cao s TRP 43 Ca 0.04 -0.14 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 3cao s TRP 43 Cb -0.19 -2.15 0.04 0.00 -1.15 0.00 0.00 33.47 30.02 3cao s TRP 43 CO -0.11 -0.08 0.03 0.08 0.02 0.00 0.00 176.95 176.90 3cao s VAL 44 N 0.95 0.19 -1.36 4.03 1.01 -0.67 -4.87 120.40 119.68 3cao s VAL 44 Ca 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 3cao s VAL 44 Cb -0.14 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3cao s VAL 44 CO 0.03 0.13 1.15 0.59 0.00 0.00 0.00 175.10 176.99 3cao n ASN 45 N 5.20 -5.81 -0.14 3.32 3.02 -1.26 -1.67 115.26 117.92 3cao n ASN 45 Ca -0.06 -0.57 -0.02 0.00 -0.03 0.00 0.00 54.58 53.90 3cao n ASN 45 Cb 0.50 -4.94 -0.01 0.00 -0.61 0.00 0.00 39.78 34.71 3cao n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cao n GLY 46 N -1.90 0.52 3.14 7.41 0.00 -1.26 -5.01 105.19 108.09 3cao n GLY 46 Ca -0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3cao n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cao s VAL 47 N -1.91 1.88 -0.21 1.61 1.01 -0.67 -5.10 120.40 117.00 3cao s VAL 47 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 3cao s VAL 47 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3cao s VAL 47 CO 0.00 0.52 0.85 -0.22 0.00 0.00 0.00 175.10 176.25 3cao s LEU 48 N 0.78 4.12 -0.05 3.92 2.96 -1.26 -1.67 118.68 127.48 3cao s LEU 48 Ca -0.09 1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 54.65 3cao s LEU 48 Cb -0.16 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 3cao s LEU 48 CO 0.00 -0.48 1.20 0.00 -1.32 0.00 0.00 176.35 175.75 3cao s ALA 49 N 2.58 3.48 -0.14 5.97 0.00 0.11 -4.89 121.76 128.87 3cao s ALA 49 Ca 0.37 0.64 0.15 0.00 0.00 0.00 0.00 51.96 53.12 3cao s ALA 49 Cb -0.16 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.49 3cao s ALA 49 CO 0.09 -0.73 1.39 0.93 0.00 0.00 0.00 175.76 177.45 3cao h GLU 50 N 7.40 0.00 0.00 0.00 5.08 -1.95 -3.37 114.58 121.74 3cao h GLU 50 Ca -0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3cao h GLU 50 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3cao h GLU 50 CO 0.87 0.51 -0.18 -0.25 -1.00 0.00 0.00 179.01 178.96 3cao n ASP 51 N -3.21 1.61 -4.41 1.42 8.00 -1.26 -5.01 116.55 113.70 3cao n ASP 51 Ca 0.01 -2.78 -0.21 0.00 0.71 0.00 0.00 54.79 52.52 3cao n ASP 51 Cb 0.75 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 3cao n ASP 51 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cao s GLU 52 N -2.00 1.51 0.24 -1.24 2.02 -1.26 -5.18 118.70 112.79 3cao s GLU 52 Ca 0.23 -1.69 -0.06 0.00 0.02 0.00 0.00 54.97 53.47 3cao s GLU 52 Cb 0.20 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.96 3cao s GLU 52 CO 0.01 0.26 0.32 0.16 0.02 0.00 0.00 175.26 176.03 3cao s ASP 53 N -3.42 0.17 -0.29 -0.19 1.47 -1.26 -4.47 116.67 108.68 3cao s ASP 53 Ca 0.26 -1.21 0.09 0.00 1.18 0.00 0.00 52.55 52.87 3cao s ASP 53 Cb -0.03 0.50 0.50 0.00 -0.34 0.00 0.00 42.92 43.55 3cao s ASP 53 CO 0.11 -1.02 1.44 -1.54 0.68 0.00 0.00 175.17 174.84 3cao n SER 54 N -0.48 2.46 -4.60 2.11 3.41 -0.23 -4.85 113.62 111.44 3cao n SER 54 Ca 0.01 -3.81 -0.49 0.00 -0.26 0.00 0.00 58.87 54.32 3cao n SER 54 Cb 0.64 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 3cao n SER 54 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3cao n VAL 55 N -1.12 0.66 0.00 -3.33 0.31 -1.26 -1.22 118.33 112.38 3cao n VAL 55 Ca 0.33 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3cao n VAL 55 Cb 1.00 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3cao n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cao n GLY 56 N 2.23 3.21 3.64 2.92 0.00 -1.26 -5.04 105.19 110.88 3cao n GLY 56 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3cao n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cao s THR 57 N -2.73 5.03 0.62 2.61 2.01 -0.35 -5.07 115.64 117.75 3cao s THR 57 Ca 0.00 1.09 -0.18 0.00 0.31 0.00 0.00 61.69 62.90 3cao s THR 57 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 3cao s THR 57 CO 0.00 0.09 1.09 -2.65 -0.69 0.00 0.00 174.62 172.46 3cao n PRO 58 N 5.32 0.99 -0.26 4.92 -0.02 -1.26 -4.89 135.00 139.80 3cao n PRO 58 Ca -0.02 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 3cao n PRO 58 Cb 0.50 -2.31 0.26 0.00 -0.02 0.00 0.00 33.50 31.93 3cao n PRO 58 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cao n SER 60 N -4.46 0.14 0.07 0.00 3.41 -1.26 -1.29 113.62 110.22 3cao n SER 60 Ca 0.11 0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 59.21 3cao n SER 60 Cb 0.15 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 63.69 3cao n SER 60 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3cao h ASP 61 N 0.00 0.34 0.00 4.04 5.19 -1.65 -3.32 116.42 121.03 3cao h ASP 61 Ca 0.00 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3cao h ASP 61 Cb 0.26 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3cao h ASP 61 CO 0.00 0.78 -1.44 0.00 -3.12 0.00 0.00 179.24 175.45 3cao s HIS 63 N -2.90 3.62 1.22 0.00 3.76 -0.41 -5.01 115.29 115.57 3cao s HIS 63 Ca -0.03 -2.53 -0.16 0.00 -0.15 0.00 0.00 55.06 52.19 3cao s HIS 63 Cb 0.10 -3.17 0.29 0.00 1.11 0.00 0.00 32.58 30.92 3cao s HIS 63 CO 0.64 -0.97 1.02 0.00 -0.85 0.00 0.00 174.74 174.58 3cao s ALA 64 N 1.09 -0.19 0.26 -1.40 0.00 -1.26 -4.40 121.76 115.86 3cao s ALA 64 Ca 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 3cao s ALA 64 Cb -0.22 -3.09 0.32 0.00 0.00 0.00 0.00 23.12 20.13 3cao s ALA 64 CO -0.05 -3.86 1.80 -0.07 0.00 0.00 0.00 175.76 173.58 3cao h LEU 65 N -2.72 0.88 -9.92 0.00 4.07 -1.93 0.60 115.31 106.29 3cao h LEU 65 Ca -0.54 -0.16 -0.56 0.00 0.08 0.00 0.00 57.88 56.71 3cao h LEU 65 Cb 1.33 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 3cao h LEU 65 CO 0.44 0.84 -0.18 -1.61 -1.08 0.00 0.00 178.44 176.85 3cao s GLU 66 N -5.30 3.78 0.47 1.13 0.41 -1.26 -3.78 118.70 114.16 3cao s GLU 66 Ca -0.11 0.21 -0.24 0.00 -0.41 0.00 0.00 54.97 54.42 3cao s GLU 66 Cb 0.15 -2.80 -0.08 0.00 -1.78 0.00 0.00 34.13 29.63 3cao s GLU 66 CO 0.81 0.42 1.38 0.94 -0.49 0.00 0.00 175.26 178.33 3cao n GLN 67 N 0.26 2.05 -3.77 1.61 7.27 -1.26 -4.21 117.38 119.32 3cao n GLN 67 Ca -0.03 0.74 -0.30 0.00 0.07 0.00 0.00 57.00 57.49 3cao n GLN 67 Cb 0.52 -2.57 -0.15 0.00 2.41 0.00 0.00 30.24 30.45 3cao n GLN 67 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3cao s ASP 68 N -0.59 3.85 1.81 1.69 -1.08 -0.32 -4.86 116.67 117.16 3cao s ASP 68 Ca 0.64 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.20 3cao s ASP 68 Cb -0.45 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.12 3cao s ASP 68 CO 0.56 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 176.48 3cao n GLY 69 N 4.83 3.34 1.72 2.66 0.00 -1.26 -1.50 105.19 114.98 3cao n GLY 69 Ca -0.04 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3cao n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cao n ASP 70 N 6.67 5.26 -4.61 1.61 5.75 -1.26 -4.85 116.55 125.11 3cao n ASP 70 Ca 0.00 -2.74 -0.41 0.00 -0.01 0.00 0.00 54.79 51.63 3cao n ASP 70 Cb 0.00 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 39.40 3cao n ASP 70 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3cao s THR 71 N -2.39 4.88 0.53 2.12 2.01 -0.56 -5.02 115.64 117.21 3cao s THR 71 Ca 0.53 1.10 -0.21 0.00 0.31 0.00 0.00 61.69 63.42 3cao s THR 71 Cb 0.38 -4.05 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 3cao s THR 71 CO 0.19 -0.14 1.20 -2.16 -0.69 0.00 0.00 174.62 173.02 3cao s PRO 72 N 2.74 3.35 1.33 4.92 0.04 -1.26 -1.17 135.00 144.95 3cao s PRO 72 Ca 0.29 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 3cao s PRO 72 Cb -0.15 -2.16 0.34 0.00 0.04 0.00 0.00 34.50 32.57 3cao s PRO 72 CO 0.11 -0.90 0.96 0.20 0.04 0.00 0.00 177.00 177.41 3cao s GLY 73 N -1.46 1.46 0.13 0.56 0.00 -1.26 -4.57 107.32 102.18 3cao s GLY 73 Ca 0.71 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 3cao s GLY 73 CO 0.34 0.35 1.46 -2.00 0.00 0.00 0.00 173.10 173.25 3cao h LEU 74 N -3.15 0.93 -0.06 0.66 5.85 -0.96 0.17 115.31 118.76 3cao h LEU 74 Ca -0.51 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 57.74 3cao h LEU 74 Cb 1.34 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3cao h LEU 74 CO 0.37 1.21 0.04 -0.61 -0.34 0.00 0.00 178.44 179.11 3cao h GLN 75 N 0.67 0.07 -0.81 1.25 4.15 -1.87 -1.43 115.11 117.16 3cao h GLN 75 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3cao h GLN 75 Cb 0.95 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 3cao h GLN 75 CO 0.09 0.06 0.39 0.22 -1.93 0.00 0.00 178.83 177.66 3cao h ASP 76 N 0.06 1.06 -0.08 -0.69 3.58 -1.86 -0.02 116.42 118.48 3cao h ASP 76 Ca 0.02 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.36 3cao h ASP 76 Cb 0.00 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 3cao h ASP 76 CO -0.00 0.89 -0.02 0.00 -2.88 0.00 0.00 179.24 177.23 3cao h ALA 77 N 1.27 0.06 -0.34 -0.78 0.00 -0.20 0.55 119.26 119.81 3cao h ALA 77 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3cao h ALA 77 Cb 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3cao h ALA 77 CO -0.03 -0.48 0.19 1.88 0.00 0.00 0.00 179.25 180.80 3cao h TYR 78 N 0.01 0.47 -0.45 0.00 -1.99 -0.92 -1.46 116.97 112.62 3cao h TYR 78 Ca 0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3cao h TYR 78 Cb 0.06 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 3cao h TYR 78 CO -0.13 0.37 0.30 0.45 -0.00 0.00 0.00 178.16 179.15 3cao h HIS 79 N 0.43 0.57 -0.84 4.88 3.86 -0.78 0.80 115.15 124.06 3cao h HIS 79 Ca 0.12 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 3cao h HIS 79 Cb 0.06 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 3cao h HIS 79 CO -0.03 0.36 0.42 1.96 0.86 0.00 0.00 177.93 181.50 3cao h GLN 80 N 0.61 1.20 0.29 2.45 4.20 -0.84 -0.31 115.11 122.71 3cao h GLN 80 Ca 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3cao h GLN 80 Cb -0.07 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.49 3cao h GLN 80 CO -0.04 0.91 -0.14 0.37 -0.67 0.00 0.00 178.83 179.27 3cao h GLN 81 N 1.19 -0.37 0.25 1.46 4.15 -1.07 -2.79 115.11 117.92 3cao h GLN 81 Ca 0.29 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 3cao h GLN 81 Cb 0.10 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3cao h GLN 81 CO -0.04 -0.06 -0.12 0.00 -1.93 0.00 0.00 178.83 176.68 3cao h TRP 83 N -0.92 0.10 -0.44 0.00 7.01 -1.21 -2.68 115.95 117.80 3cao h TRP 83 Ca -0.03 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.96 3cao h TRP 83 Cb 0.25 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 3cao h TRP 83 CO 0.01 0.54 0.26 0.78 -2.79 0.00 0.00 178.44 177.24 3cao h GLY 84 N 1.39 0.62 1.07 2.65 0.00 -0.95 -0.65 103.07 107.20 3cao h GLY 84 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 3cao h GLY 84 CO 0.07 0.16 -0.12 0.00 0.00 0.00 0.00 176.54 176.64 3cao h HIS 86 N 0.83 0.94 -0.22 0.00 -0.00 -1.07 -0.20 115.15 115.42 3cao h HIS 86 Ca 0.13 -0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.30 3cao h HIS 86 Cb 0.69 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 3cao h HIS 86 CO 0.05 0.66 -0.57 1.49 -0.00 0.00 0.00 177.93 179.56 3cao h GLU 87 N 0.96 0.71 -0.64 2.45 4.81 -1.05 0.12 114.58 121.93 3cao h GLU 87 Ca 0.24 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3cao h GLU 87 Cb 0.05 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3cao h GLU 87 CO -0.04 1.09 0.27 -0.22 -0.73 0.00 0.00 179.01 179.38 3cao h LYS 88 N 0.54 0.95 -0.00 1.92 3.11 -0.58 -2.95 116.57 119.56 3cao h LYS 88 Ca 0.00 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 3cao h LYS 88 Cb 1.16 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 3cao h LYS 88 CO 0.12 0.79 -0.65 1.04 -2.81 0.00 0.00 179.45 177.94 3cao n GLN 89 N -4.44 0.07 -3.64 1.90 6.02 -0.15 -4.96 117.38 112.18 3cao n GLN 89 Ca 0.04 -0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 3cao n GLN 89 Cb 0.16 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.98 3cao n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cao n ALA 90 N -1.42 -1.27 -3.04 -1.58 0.00 0.35 -4.99 120.51 108.56 3cao n ALA 90 Ca 0.05 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.72 3cao n ALA 90 Cb 0.34 -5.11 -0.11 0.00 0.00 0.00 0.00 19.45 14.56 3cao n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3cao s LYS 91 N -6.36 0.31 0.00 0.00 1.02 -0.90 -5.05 119.74 108.77 3cao s LYS 91 Ca 0.59 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.34 3cao s LYS 91 Cb -0.27 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 3cao s LYS 91 CO 0.73 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 3cao n GLY 92 N 2.07 -1.40 3.70 -3.33 0.00 -1.26 -4.28 105.19 100.70 3cao n GLY 92 Ca -0.19 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3cao n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cao s PRO 93 N -2.28 4.32 0.00 1.61 0.04 -1.26 -4.90 135.00 132.53 3cao s PRO 93 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3cao s PRO 93 Cb 0.00 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3cao s PRO 93 CO 0.00 -0.46 0.33 1.33 0.04 0.00 0.00 177.00 178.24 3cao n VAL 94 N 4.22 0.00 -3.60 -0.36 0.24 -1.26 -4.84 118.33 112.74 3cao n VAL 94 Ca 0.12 -0.39 -0.32 0.00 -2.04 0.00 0.00 64.34 61.70 3cao n VAL 94 Cb 0.43 1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 33.94 3cao n VAL 94 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3cao s MET 95 N -0.12 3.69 0.12 7.34 -1.94 -1.26 -5.01 119.30 122.13 3cao s MET 95 Ca 0.00 0.05 -0.22 0.00 -1.71 0.00 0.00 55.69 53.81 3cao s MET 95 Cb 0.00 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.96 3cao s MET 95 CO 0.00 0.45 1.69 0.00 -0.01 0.00 0.00 175.02 177.15 3cao n GLY 97 N -1.25 -0.98 0.12 0.00 0.00 -1.26 -0.92 105.19 100.89 3cao n GLY 97 Ca -0.04 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.90 3cao n GLY 97 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cao h GLU 98 N 0.00 0.00 0.00 1.61 4.39 -1.56 -3.31 114.58 115.71 3cao h GLU 98 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 3cao h GLU 98 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3cao h GLU 98 CO 0.00 0.14 -2.02 0.00 -1.16 0.00 0.00 179.01 175.97 3cao n HIS 100 N -4.33 4.06 -2.83 0.00 8.25 -0.10 -1.38 115.22 118.90 3cao n HIS 100 Ca -0.44 -3.07 -0.41 0.00 -0.26 0.00 0.00 57.72 53.53 3cao n HIS 100 Cb 0.79 -2.15 -0.04 0.00 1.12 0.00 0.00 29.99 29.72 3cao n HIS 100 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3cao s VAL 101 N 1.38 4.89 -0.70 1.59 1.01 -1.25 -4.52 120.40 122.81 3cao s VAL 101 Ca 0.43 1.80 -0.26 0.00 0.00 0.00 0.00 61.98 63.95 3cao s VAL 101 Cb 0.04 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3cao s VAL 101 CO 0.00 0.10 1.16 -0.54 0.00 0.00 0.00 175.10 175.83 3cao s LYS 102 N 1.55 3.19 0.00 2.72 -0.14 -1.26 -4.80 119.74 121.00 3cao s LYS 102 Ca 0.44 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 3cao s LYS 102 Cb -0.18 -4.18 0.00 0.00 -1.68 0.00 0.00 37.83 31.79 3cao s LYS 102 CO 0.19 -1.99 0.00 0.27 -0.76 0.00 0.00 175.35 173.05