#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otd h GLN 22 N 0.00 0.89 -0.53 4.33 1.08 -2.04 -1.71 115.11 117.12 1otd h GLN 22 Ca 0.00 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 1otd h GLN 22 Cb 0.00 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1otd h GLN 22 CO 0.00 0.59 0.01 -0.07 -0.95 0.00 0.00 178.83 178.41 1otd h LEU 23 N 0.91 0.87 -0.00 1.46 3.38 -2.01 -2.73 115.31 117.19 1otd h LEU 23 Ca 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1otd h LEU 23 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1otd h LEU 23 CO -0.09 0.92 0.00 0.47 0.09 0.00 0.00 178.44 179.83 1otd n ASP 24 N -4.20 0.11 -0.00 -0.43 10.43 -0.80 -2.04 116.55 119.61 1otd n ASP 24 Ca 0.03 0.51 0.14 0.00 2.57 0.00 0.00 54.79 58.04 1otd n ASP 24 Cb 0.31 -0.54 0.61 0.00 1.84 0.00 0.00 41.12 43.34 1otd n ASP 24 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1otd n ASN 25 N -1.60 0.03 -4.76 -2.24 3.02 -0.71 -4.77 115.26 104.22 1otd n ASN 25 Ca 0.07 0.43 -0.39 0.00 -0.03 0.00 0.00 54.58 54.65 1otd n ASN 25 Cb 0.34 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1otd n ASN 25 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1otd s LEU 26 N -2.98 4.49 0.00 3.41 1.43 -0.87 -4.91 118.68 119.25 1otd s LEU 26 Ca 0.15 2.08 0.29 0.00 -1.03 0.00 0.00 54.13 55.61 1otd s LEU 26 Cb 0.19 -3.76 1.33 0.00 0.03 0.00 0.00 46.19 43.98 1otd s LEU 26 CO 0.54 -0.09 1.92 0.00 0.23 0.00 0.00 176.35 178.95 1otd n ALA 27 N 1.00 2.69 -2.46 4.21 0.00 -1.26 -4.57 120.51 120.13 1otd n ALA 27 Ca -0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1otd n ALA 27 Cb 0.47 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1otd n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1otd s PHE 28 N -2.47 2.13 0.35 0.00 -0.12 -1.26 -4.94 117.98 111.67 1otd s PHE 28 Ca 0.30 -0.51 -0.27 0.00 -0.05 0.00 0.00 56.93 56.39 1otd s PHE 28 Cb 0.20 -1.09 -0.09 0.00 -0.63 0.00 0.00 43.02 41.41 1otd s PHE 28 CO 0.47 0.51 1.14 0.20 -0.05 0.00 0.00 175.22 177.48 1otd s GLY 29 N -3.48 2.93 -0.04 1.99 0.00 0.34 -4.55 107.32 104.50 1otd s GLY 29 Ca 0.29 0.93 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 1otd s GLY 29 CO 0.13 1.47 0.10 0.00 0.00 0.00 0.00 173.10 174.80 1otd s ALA 30 N -1.33 -0.15 -0.05 3.20 0.00 -1.26 -0.72 121.76 121.44 1otd s ALA 30 Ca 0.52 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1otd s ALA 30 Cb -0.31 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1otd s ALA 30 CO 0.39 -0.12 -0.05 0.42 0.00 0.00 0.00 175.76 176.40 1otd s ILE 31 N 0.91 0.62 -0.17 0.00 1.01 0.08 -1.87 121.20 121.77 1otd s ILE 31 Ca -0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 1otd s ILE 31 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1otd s ILE 31 CO -0.04 0.25 0.07 -1.58 0.00 0.00 0.00 174.94 173.64 1otd s GLN 32 N 1.04 3.91 0.14 2.79 0.74 -0.63 -0.78 119.66 126.88 1otd s GLN 32 Ca -0.09 -0.33 0.11 0.00 0.05 0.00 0.00 55.36 55.10 1otd s GLN 32 Cb -0.14 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 1otd s GLN 32 CO -0.01 0.32 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.30 1otd s LEU 33 N 0.23 2.34 0.83 3.68 1.43 0.27 -0.02 118.68 127.44 1otd s LEU 33 Ca 0.04 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1otd s LEU 33 Cb -0.12 -1.16 0.16 0.00 0.03 0.00 0.00 46.19 45.10 1otd s LEU 33 CO 0.00 0.15 1.14 1.51 0.23 0.00 0.00 176.35 179.38 1otd s ASP 34 N -2.18 3.81 0.00 2.29 1.47 -0.50 -1.14 116.67 120.42 1otd s ASP 34 Ca 0.15 -0.06 0.14 0.00 1.18 0.00 0.00 52.55 53.96 1otd s ASP 34 Cb -0.09 -0.18 0.66 0.00 -0.34 0.00 0.00 42.92 42.97 1otd s ASP 34 CO 0.07 -2.24 1.42 0.61 0.68 0.00 0.00 175.17 175.70 1otd n GLY 35 N -3.25 -0.87 0.65 2.12 0.00 -1.26 -0.78 105.19 101.80 1otd n GLY 35 Ca 0.15 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1otd n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otd n ASP 36 N -1.40 2.28 0.00 1.61 8.00 -1.26 -4.97 116.55 120.81 1otd n ASP 36 Ca 0.05 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.90 1otd n ASP 36 Cb 0.14 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1otd n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1otd n GLY 37 N 1.37 0.80 3.73 0.44 0.00 0.04 -4.91 105.19 106.67 1otd n GLY 37 Ca 0.12 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1otd n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1otd s THR 38 N -2.00 3.38 -0.04 2.61 2.01 -1.26 -0.89 115.64 119.44 1otd s THR 38 Ca 0.00 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 1otd s THR 38 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1otd s THR 38 CO 0.00 0.16 1.23 -0.63 -0.69 0.00 0.00 174.62 174.69 1otd s ILE 39 N 0.21 4.16 -0.23 1.82 1.01 -0.16 -1.41 121.20 126.60 1otd s ILE 39 Ca 0.56 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.72 1otd s ILE 39 Cb -0.35 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 1otd s ILE 39 CO 0.36 0.00 -0.09 0.18 0.00 0.00 0.00 174.94 175.39 1otd n LEU 40 N 5.21 2.83 -3.91 2.97 4.77 0.97 -1.25 117.00 128.59 1otd n LEU 40 Ca 0.11 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1otd n LEU 40 Cb 0.46 -0.92 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 1otd n LEU 40 CO 0.56 0.91 -0.18 -1.10 -1.33 0.00 0.00 177.39 176.25 1otd s GLN 41 N -2.53 0.63 -0.27 3.23 -0.21 -1.14 -4.90 119.66 114.48 1otd s GLN 41 Ca -0.32 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.22 1otd s GLN 41 Cb 0.08 0.25 0.11 0.00 1.00 0.00 0.00 33.01 34.45 1otd s GLN 41 CO 0.64 -0.17 0.60 -0.47 -2.12 0.00 0.00 175.29 173.77 1otd s TYR 42 N -2.70 -1.14 0.50 0.91 6.14 -1.26 -1.60 117.35 118.20 1otd s TYR 42 Ca -0.04 2.07 0.09 0.00 0.64 0.00 0.00 57.07 59.83 1otd s TYR 42 Cb -0.01 0.64 0.05 0.00 0.42 0.00 0.00 41.96 43.06 1otd s TYR 42 CO -0.05 -0.58 0.65 0.54 0.64 0.00 0.00 175.55 176.75 1otd s ASN 43 N 2.50 5.26 0.24 4.32 4.22 -0.78 -4.77 114.94 125.92 1otd s ASN 43 Ca -0.06 -0.72 -0.07 0.00 -2.14 0.00 0.00 52.86 49.87 1otd s ASN 43 Cb -0.10 -0.10 0.23 0.00 1.28 0.00 0.00 41.25 42.55 1otd s ASN 43 CO -0.18 -1.07 1.91 0.00 -2.04 0.00 0.00 177.10 175.73 1otd h ALA 44 N 0.45 1.16 -0.56 3.54 0.00 -1.86 -2.03 119.26 119.96 1otd h ALA 44 Ca -0.35 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1otd h ALA 44 Cb 1.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1otd h ALA 44 CO 0.45 0.55 0.08 0.00 0.00 0.00 0.00 179.25 180.33 1otd h ALA 45 N 1.34 1.10 -0.37 0.00 0.00 -1.82 0.21 119.26 119.71 1otd h ALA 45 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1otd h ALA 45 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1otd h ALA 45 CO -0.08 0.59 0.21 1.49 0.00 0.00 0.00 179.25 181.46 1otd h GLU 46 N 0.84 0.52 -0.44 0.00 4.57 -1.67 -2.33 114.58 116.07 1otd h GLU 46 Ca 0.17 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1otd h GLU 46 Cb 0.38 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 1otd h GLU 46 CO 0.01 0.41 0.29 0.78 -1.18 0.00 0.00 179.01 179.32 1otd h GLY 47 N 0.48 0.57 1.90 1.92 0.00 -0.69 -0.31 103.07 106.93 1otd h GLY 47 Ca 0.13 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1otd h GLY 47 CO -0.02 0.19 -0.44 -0.55 0.00 0.00 0.00 176.54 175.71 1otd h ASP 48 N 0.52 0.12 -0.17 0.19 3.32 -0.60 0.36 116.42 120.16 1otd h ASP 48 Ca 0.17 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 1otd h ASP 48 Cb 0.05 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1otd h ASP 48 CO -0.04 0.55 -0.63 0.40 -1.72 0.00 0.00 179.24 177.80 1otd h ILE 49 N 0.09 1.30 0.00 0.35 2.04 -0.57 -3.38 117.51 117.35 1otd h ILE 49 Ca 0.01 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1otd h ILE 49 Cb 0.82 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1otd h ILE 49 CO 0.06 0.58 -0.82 0.35 0.00 0.00 0.00 178.15 178.32 1otd n THR 50 N -4.06 0.00 -0.47 -0.27 -2.24 -0.56 -4.98 114.28 101.70 1otd n THR 50 Ca -0.07 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1otd n THR 50 Cb 0.67 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1otd n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1otd n GLY 51 N 1.40 1.66 3.81 3.38 0.00 0.12 -4.82 105.19 110.74 1otd n GLY 51 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1otd n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otd s ARG 52 N -0.15 3.71 -0.38 1.61 3.00 -1.23 -5.00 118.95 120.52 1otd s ARG 52 Ca 0.00 1.25 -0.25 0.00 0.00 0.00 0.00 55.73 56.73 1otd s ARG 52 Cb 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 34.95 32.88 1otd s ARG 52 CO 0.00 -0.50 0.90 1.21 0.00 0.00 0.00 175.30 176.92 1otd s ASN 53 N -2.36 6.64 0.56 0.23 3.84 -1.26 -4.40 114.94 118.19 1otd s ASN 53 Ca 0.65 0.50 0.24 0.00 0.21 0.00 0.00 52.86 54.47 1otd s ASN 53 Cb -0.15 -2.45 1.55 0.00 -0.55 0.00 0.00 41.25 39.65 1otd s ASN 53 CO 0.26 -0.85 2.16 -0.65 -2.79 0.00 0.00 177.10 175.22 1otd h PRO 54 N 8.53 0.00 -0.09 0.43 0.11 -1.88 -0.33 132.00 138.77 1otd h PRO 54 Ca -0.23 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.69 1otd h PRO 54 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1otd h PRO 54 CO 0.97 0.00 -0.73 -0.22 -0.21 0.00 0.00 178.00 177.81 1otd h LYS 55 N 0.00 0.45 0.00 1.05 1.63 -1.92 -3.31 116.57 114.46 1otd h LYS 55 Ca 0.04 -0.37 -0.14 0.00 -0.85 0.00 0.00 60.65 59.33 1otd h LYS 55 Cb 0.21 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1otd h LYS 55 CO -0.00 1.00 -0.91 1.49 -3.45 0.00 0.00 179.45 177.58 1otd h GLU 56 N 0.31 0.00 0.00 1.90 4.57 -1.51 -3.21 114.58 116.64 1otd h GLU 56 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1otd h GLU 56 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1otd h GLU 56 CO 0.13 0.48 0.00 1.33 -1.18 0.00 0.00 179.01 179.77 1otd n VAL 57 N -3.12 0.51 -1.81 0.32 0.24 -0.71 -4.76 118.33 109.00 1otd n VAL 57 Ca -0.03 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1otd n VAL 57 Cb 0.80 -0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 1otd n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1otd s ILE 58 N -3.10 2.20 0.00 1.34 -1.09 -1.22 -1.26 121.20 118.07 1otd s ILE 58 Ca 0.10 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1otd s ILE 58 Cb 0.13 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1otd s ILE 58 CO 0.54 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1otd n GLY 59 N 2.96 1.24 3.88 6.18 0.00 -0.38 -5.01 105.19 114.06 1otd n GLY 59 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1otd n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1otd s LYS 60 N -0.71 3.46 -0.18 1.61 1.02 -0.39 -4.63 119.74 119.92 1otd s LYS 60 Ca 0.00 0.58 -0.24 0.00 0.02 0.00 0.00 55.97 56.33 1otd s LYS 60 Cb 0.00 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1otd s LYS 60 CO 0.00 -0.57 0.78 1.21 -0.92 0.00 0.00 175.35 175.85 1otd s ASN 61 N -4.20 6.88 0.03 2.83 3.84 -1.26 -0.99 114.94 122.07 1otd s ASN 61 Ca 0.54 1.08 -0.25 0.00 0.21 0.00 0.00 52.86 54.44 1otd s ASN 61 Cb -0.11 -2.43 -0.18 0.00 -0.55 0.00 0.00 41.25 37.99 1otd s ASN 61 CO 0.52 -0.37 1.48 0.15 -2.79 0.00 0.00 177.10 176.09 1otd h PHE 62 N 7.38 -0.02 0.01 0.43 3.57 -1.36 -1.48 116.94 125.46 1otd h PHE 62 Ca -0.30 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.01 1otd h PHE 62 Cb 1.13 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1otd h PHE 62 CO 0.72 0.24 -0.88 0.74 -2.23 0.00 0.00 178.31 176.90 1otd h PHE 63 N -0.28 0.09 0.00 0.41 0.04 -1.82 0.21 116.94 115.60 1otd h PHE 63 Ca -0.00 -0.05 -0.31 0.00 2.80 0.00 0.00 57.97 60.40 1otd h PHE 63 Cb 0.27 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.35 1otd h PHE 63 CO 0.01 0.90 -2.01 1.63 -0.60 0.00 0.00 178.31 178.25 1otd n LYS 64 N -3.55 0.66 0.00 1.51 4.76 -1.24 -3.72 118.16 116.58 1otd n LYS 64 Ca -0.02 0.14 -0.04 0.00 -2.87 0.00 0.00 58.31 55.53 1otd n LYS 64 Cb 0.82 -1.66 -0.01 0.00 -1.84 0.00 0.00 35.03 32.34 1otd n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1otd n ASP 65 N -2.88 1.10 0.02 4.39 -0.08 -0.61 -4.65 116.55 113.85 1otd n ASP 65 Ca -0.23 0.16 -0.19 0.00 -1.51 0.00 0.00 54.79 53.02 1otd n ASP 65 Cb 1.07 -0.38 -0.10 0.00 2.34 0.00 0.00 41.12 44.06 1otd n ASP 65 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1otd h VAL 66 N -0.25 1.33 -2.09 5.18 2.07 -1.44 -3.40 116.25 117.65 1otd h VAL 66 Ca -0.05 -2.13 -0.52 0.00 0.82 0.00 0.00 66.70 64.82 1otd h VAL 66 Cb 0.49 2.38 -0.41 0.00 -1.52 0.00 0.00 31.29 32.23 1otd h VAL 66 CO -0.03 0.65 -1.01 0.00 0.02 0.00 0.00 177.57 177.20 1otd n ALA 67 N -2.62 2.93 0.32 1.67 0.00 0.74 -4.93 120.51 118.62 1otd n ALA 67 Ca -0.10 -3.84 0.21 0.00 0.00 0.00 0.00 53.44 49.71 1otd n ALA 67 Cb 0.79 -0.86 1.09 0.00 0.00 0.00 0.00 19.45 20.46 1otd n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1otd h PRO 68 N 2.99 0.00 0.00 0.00 0.13 -1.74 0.99 132.00 134.36 1otd h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1otd h PRO 68 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1otd h PRO 68 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1otd n THR 70 N -2.25 0.10 -2.71 0.00 -2.24 0.34 -4.65 114.28 102.87 1otd n THR 70 Ca 0.01 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 1otd n THR 70 Cb 0.18 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1otd n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1otd n ASP 71 N 0.65 5.04 -3.74 3.42 2.03 -0.66 -1.28 116.55 122.00 1otd n ASP 71 Ca 0.17 -2.95 -0.14 0.00 0.52 0.00 0.00 54.79 52.40 1otd n ASP 71 Cb 0.44 -1.66 -0.08 0.00 -0.72 0.00 0.00 41.12 39.10 1otd n ASP 71 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1otd s SER 72 N 3.47 -0.22 0.31 1.67 1.04 -1.26 -4.94 113.70 113.76 1otd s SER 72 Ca 0.48 0.14 0.07 0.00 0.48 0.00 0.00 55.95 57.12 1otd s SER 72 Cb 0.01 0.33 0.76 0.00 0.10 0.00 0.00 66.02 67.23 1otd s SER 72 CO 0.04 -0.45 1.79 -0.65 0.98 0.00 0.00 173.24 174.95 1otd h PRO 73 N 3.84 0.73 0.00 4.02 0.11 -1.94 -0.56 132.00 138.21 1otd h PRO 73 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1otd h PRO 73 Cb 1.17 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1otd h PRO 73 CO 0.40 0.48 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 1otd n GLU 74 N -4.73 0.13 0.00 1.05 0.00 -1.26 -1.30 120.64 114.53 1otd n GLU 74 Ca 0.23 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.46 1otd n GLU 74 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.51 1otd n GLU 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1otd n PHE 75 N -1.42 0.00 0.06 -1.84 -0.00 -0.50 -4.59 117.46 109.16 1otd n PHE 75 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.60 1otd n PHE 75 Cb 0.25 0.00 0.51 0.00 -0.00 0.00 0.00 39.48 40.24 1otd n PHE 75 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1otd h SER 76 N 0.00 0.30 -0.18 -2.13 4.64 -0.44 -1.55 113.55 114.19 1otd h SER 76 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1otd h SER 76 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1otd h SER 76 CO 0.00 0.21 0.07 1.23 -0.87 0.00 0.00 176.83 177.47 1otd h GLY 77 N 0.35 0.30 0.82 -0.77 0.00 -1.01 0.15 103.07 102.91 1otd h GLY 77 Ca 0.14 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.35 1otd h GLY 77 CO -0.03 0.16 0.65 0.50 0.00 0.00 0.00 176.54 177.82 1otd h LYS 78 N 0.13 1.19 0.11 4.80 1.57 -0.72 -1.26 116.57 122.39 1otd h LYS 78 Ca 0.06 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1otd h LYS 78 Cb 0.20 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1otd h LYS 78 CO -0.00 0.79 -0.17 0.35 -0.57 0.00 0.00 179.45 179.84 1otd h PHE 79 N 1.23 -0.46 -0.65 -1.35 3.57 -0.84 0.13 116.94 118.58 1otd h PHE 79 Ca 0.41 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.87 1otd h PHE 79 Cb 0.07 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1otd h PHE 79 CO -0.00 -0.26 0.22 0.87 -2.23 0.00 0.00 178.31 176.91 1otd h LYS 80 N -0.35 0.97 -0.66 1.11 1.57 -0.35 0.10 116.57 118.97 1otd h LYS 80 Ca 0.02 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1otd h LYS 80 Cb 0.36 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1otd h LYS 80 CO -0.09 0.82 0.21 1.49 -0.57 0.00 0.00 179.45 181.30 1otd h GLU 81 N 0.94 1.03 -0.33 3.15 4.81 -1.15 -2.26 114.58 120.77 1otd h GLU 81 Ca 0.21 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1otd h GLU 81 Cb 0.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1otd h GLU 81 CO -0.01 0.89 -0.23 0.78 -0.73 0.00 0.00 179.01 179.71 1otd h GLY 82 N 0.96 0.70 0.99 1.92 0.00 -0.13 -0.65 103.07 106.86 1otd h GLY 82 Ca 0.21 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1otd h GLY 82 CO -0.01 0.54 0.18 -2.08 0.00 0.00 0.00 176.54 175.17 1otd h VAL 83 N 0.57 1.08 -0.54 4.60 2.07 -0.71 0.15 116.25 123.47 1otd h VAL 83 Ca 0.08 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1otd h VAL 83 Cb 0.70 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1otd h VAL 83 CO 0.05 0.08 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1otd h ALA 84 N 1.08 0.97 0.00 1.67 0.00 -1.26 -3.22 119.26 118.51 1otd h ALA 84 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1otd h ALA 84 Cb -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1otd h ALA 84 CO -0.02 0.62 -0.70 -1.13 0.00 0.00 0.00 179.25 178.03 1otd n SER 85 N -4.19 0.61 -0.14 0.00 3.41 -0.26 -4.96 113.62 108.08 1otd n SER 85 Ca 0.03 -0.21 -0.02 0.00 -0.26 0.00 0.00 58.87 58.41 1otd n SER 85 Cb 0.33 0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 64.69 1otd n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1otd n GLY 86 N 1.43 0.44 3.05 5.00 0.00 0.49 -5.01 105.19 110.59 1otd n GLY 86 Ca 0.04 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1otd n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1otd s ASN 87 N -2.18 4.24 -0.24 1.61 0.01 -1.12 -5.01 114.94 112.25 1otd s ASN 87 Ca 0.00 -1.30 -0.05 0.00 -0.71 0.00 0.00 52.86 50.80 1otd s ASN 87 Cb 0.00 -1.48 0.12 0.00 0.41 0.00 0.00 41.25 40.31 1otd s ASN 87 CO 0.00 -0.18 0.47 -0.22 -1.51 0.00 0.00 177.10 175.66 1otd s LEU 88 N 1.17 -0.83 -0.30 0.60 2.96 -1.26 -4.29 118.68 116.72 1otd s LEU 88 Ca -0.07 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 1otd s LEU 88 Cb -0.19 1.56 0.19 0.00 0.50 0.00 0.00 46.19 48.25 1otd s LEU 88 CO -0.06 -0.25 0.72 0.21 -1.32 0.00 0.00 176.35 175.65 1otd s ASN 89 N 2.68 -1.29 -0.01 3.68 3.04 -1.24 -0.91 114.94 120.88 1otd s ASN 89 Ca 0.05 0.07 -0.08 0.00 0.04 0.00 0.00 52.86 52.94 1otd s ASN 89 Cb -0.13 1.80 0.01 0.00 -1.54 0.00 0.00 41.25 41.38 1otd s ASN 89 CO -0.16 -0.23 0.15 0.28 -3.04 0.00 0.00 177.10 174.11 1otd s THR 90 N 2.76 0.07 -0.00 -5.21 -1.32 -0.15 -5.00 115.64 106.78 1otd s THR 90 Ca 0.15 -0.57 0.06 0.00 -1.21 0.00 0.00 61.69 60.12 1otd s THR 90 Cb -0.07 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1otd s THR 90 CO -0.23 -0.31 -0.18 -0.04 -2.21 0.00 0.00 174.62 171.65 1otd s MET 91 N -1.14 1.38 0.02 7.08 -1.94 -1.26 -0.57 119.30 122.87 1otd s MET 91 Ca -0.12 -0.68 -0.28 0.00 -1.71 0.00 0.00 55.69 52.90 1otd s MET 91 Cb -0.06 -1.36 0.09 0.00 2.01 0.00 0.00 34.83 35.51 1otd s MET 91 CO 0.02 0.37 0.77 -0.59 -0.01 0.00 0.00 175.02 175.57 1otd s PHE 92 N -0.49 -0.48 0.36 -0.03 -0.71 -0.31 -5.00 117.98 111.32 1otd s PHE 92 Ca 0.06 0.51 -0.11 0.00 -1.04 0.00 0.00 56.93 56.35 1otd s PHE 92 Cb -0.07 0.50 -0.07 0.00 -1.21 0.00 0.00 43.02 42.17 1otd s PHE 92 CO -0.00 -0.63 0.73 -1.21 -1.34 0.00 0.00 175.22 172.77 1otd s GLU 93 N -2.61 3.83 0.18 1.99 2.02 -1.26 -0.61 118.70 122.23 1otd s GLU 93 Ca -0.01 0.47 -0.16 0.00 0.02 0.00 0.00 54.97 55.30 1otd s GLU 93 Cb -0.01 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.81 1otd s GLU 93 CO -0.05 0.05 0.46 -0.47 0.02 0.00 0.00 175.26 175.28 1otd s TYR 94 N -2.22 -0.05 -0.15 1.61 5.04 -0.45 -4.92 117.35 116.21 1otd s TYR 94 Ca 0.51 -0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1otd s TYR 94 Cb -0.10 0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1otd s TYR 94 CO 0.27 -0.84 -0.10 0.99 -1.34 0.00 0.00 175.55 174.53 1otd s THR 95 N -3.87 3.21 -0.24 4.34 2.01 -1.26 -1.19 115.64 118.64 1otd s THR 95 Ca 0.09 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 1otd s THR 95 Cb 0.00 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 1otd s THR 95 CO -0.04 0.50 0.25 -0.36 -0.69 0.00 0.00 174.62 174.27 1otd s PHE 96 N 0.62 3.32 0.00 4.92 0.08 -0.15 -4.90 117.98 121.86 1otd s PHE 96 Ca -0.06 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.33 1otd s PHE 96 Cb -0.15 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 1otd s PHE 96 CO 0.03 -0.00 0.60 -0.40 -0.10 0.00 0.00 175.22 175.34 1otd n ASP 97 N 4.51 0.00 -4.64 1.36 5.75 -1.26 -1.00 116.55 121.27 1otd n ASP 97 Ca -0.13 -1.35 -0.39 0.00 -0.01 0.00 0.00 54.79 52.91 1otd n ASP 97 Cb 0.52 -0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.45 1otd n ASP 97 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1otd s TYR 98 N 0.00 3.31 -1.68 2.11 5.04 -1.26 -4.26 117.35 120.61 1otd s TYR 98 Ca 0.00 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 1otd s TYR 98 Cb 0.00 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 39.74 1otd s TYR 98 CO 0.00 -0.12 0.00 1.04 -1.34 0.00 0.00 175.55 175.13 1otd n GLN 99 N 4.92 -1.57 -3.47 4.97 6.02 -1.26 -4.95 117.38 122.04 1otd n GLN 99 Ca -0.08 0.95 -0.11 0.00 -0.01 0.00 0.00 57.00 57.75 1otd n GLN 99 Cb 0.51 -5.55 -0.02 0.00 1.02 0.00 0.00 30.24 26.20 1otd n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1otd s MET 100 N -4.98 1.28 0.30 -1.09 0.23 -1.26 -4.99 119.30 108.79 1otd s MET 100 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 55.69 53.86 1otd s MET 100 Cb 0.00 0.57 -0.11 0.00 -1.53 0.00 0.00 34.83 33.76 1otd s MET 100 CO 0.00 -0.56 1.52 0.99 -2.03 0.00 0.00 175.02 174.94 1otd s THR 101 N -3.70 2.23 -0.10 3.16 2.01 -1.26 -4.72 115.64 113.26 1otd s THR 101 Ca 0.02 0.20 -0.36 0.00 0.31 0.00 0.00 61.69 61.87 1otd s THR 101 Cb -0.01 -3.13 -0.13 0.00 0.01 0.00 0.00 72.50 69.24 1otd s THR 101 CO -0.11 0.04 1.80 -2.65 -0.69 0.00 0.00 174.62 173.01 1otd n PRO 102 N 1.74 1.92 -4.01 4.92 -0.02 -1.26 -4.68 135.00 133.62 1otd n PRO 102 Ca 0.06 0.70 -0.26 0.00 -2.02 0.00 0.00 63.50 61.98 1otd n PRO 102 Cb 0.39 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.20 1otd n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1otd s THR 103 N 3.51 1.04 -0.03 3.45 2.01 -0.17 -4.95 115.64 120.50 1otd s THR 103 Ca 0.92 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 1otd s THR 103 Cb -0.78 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1otd s THR 103 CO 0.53 0.37 1.28 -0.54 -0.69 0.00 0.00 174.62 175.57 1otd s LYS 104 N 1.55 4.33 0.17 4.92 1.02 -1.26 -0.98 119.74 129.48 1otd s LYS 104 Ca 0.02 1.80 0.04 0.00 0.02 0.00 0.00 55.97 57.84 1otd s LYS 104 Cb -0.13 -3.55 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1otd s LYS 104 CO -0.06 -0.49 -0.05 0.14 -0.92 0.00 0.00 175.35 173.96 1otd s VAL 105 N 2.23 1.01 -0.15 3.17 -7.23 -0.33 -1.61 120.40 117.49 1otd s VAL 105 Ca 0.59 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1otd s VAL 105 Cb -0.28 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1otd s VAL 105 CO 0.24 -0.58 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.67 1otd s LYS 106 N -3.82 3.59 -0.04 4.82 2.20 0.95 -1.33 119.74 126.11 1otd s LYS 106 Ca 0.21 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.38 1otd s LYS 106 Cb 0.04 -2.90 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1otd s LYS 106 CO 0.03 0.29 -0.22 0.08 -0.36 0.00 0.00 175.35 175.17 1otd s VAL 107 N 0.22 2.37 -0.22 4.02 1.01 0.22 -1.46 120.40 126.56 1otd s VAL 107 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1otd s VAL 107 Cb -0.14 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1otd s VAL 107 CO 0.03 0.58 -0.13 -2.28 0.00 0.00 0.00 175.10 173.29 1otd s HIS 108 N -0.56 2.89 -0.07 5.22 2.46 0.03 -1.17 115.29 124.09 1otd s HIS 108 Ca 0.08 -1.93 0.04 0.00 0.47 0.00 0.00 55.06 53.72 1otd s HIS 108 Cb -0.11 -1.85 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 1otd s HIS 108 CO 0.00 -0.82 -0.20 1.41 -2.47 0.00 0.00 174.74 172.66 1otd s MET 109 N 1.24 2.72 0.06 2.88 1.75 0.26 -0.54 119.30 127.67 1otd s MET 109 Ca -0.03 -0.82 -0.24 0.00 -1.25 0.00 0.00 55.69 53.36 1otd s MET 109 Cb -0.17 -2.30 0.06 0.00 2.84 0.00 0.00 34.83 35.25 1otd s MET 109 CO -0.08 0.40 0.56 -1.59 -0.65 0.00 0.00 175.02 173.66 1otd s LYS 110 N -0.17 1.10 0.28 4.11 -2.85 -0.02 -0.98 119.74 121.20 1otd s LYS 110 Ca -0.02 -0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 1otd s LYS 110 Cb -0.14 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.04 1otd s LYS 110 CO 0.04 -0.41 1.11 0.21 0.10 0.00 0.00 175.35 176.40 1otd s LYS 111 N -2.56 4.62 0.66 1.78 2.20 -0.08 -0.60 119.74 125.76 1otd s LYS 111 Ca -0.05 1.83 -0.17 0.00 -0.36 0.00 0.00 55.97 57.22 1otd s LYS 111 Cb -0.01 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1otd s LYS 111 CO -0.03 0.19 1.27 0.00 -0.36 0.00 0.00 175.35 176.42 1otd s ALA 112 N -1.13 2.32 -1.84 3.13 0.00 0.37 -4.86 121.76 119.74 1otd s ALA 112 Ca 0.45 1.14 0.30 0.00 0.00 0.00 0.00 51.96 53.85 1otd s ALA 112 Cb -0.32 -3.54 1.54 0.00 0.00 0.00 0.00 23.12 20.80 1otd s ALA 112 CO 0.42 -1.65 2.03 1.28 0.00 0.00 0.00 175.76 177.84 1otd n LEU 113 N -2.07 0.31 -3.72 0.00 4.77 -1.26 -4.77 117.00 110.26 1otd n LEU 113 Ca 0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 1otd n LEU 113 Cb 0.49 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1otd n LEU 113 CO 0.47 0.05 0.07 -0.94 -1.33 0.00 0.00 177.39 175.71 1otd s SER 114 N -2.25 -0.14 0.48 -1.43 1.04 -1.26 -5.13 113.70 105.02 1otd s SER 114 Ca 0.37 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1otd s SER 114 Cb 0.21 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1otd s SER 114 CO 0.41 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1otd n GLY 115 N 0.16 -0.20 2.57 7.32 0.00 -1.26 -4.58 105.19 109.20 1otd n GLY 115 Ca -0.17 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 1otd n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1otd s ASP 116 N -4.00 2.63 0.33 1.61 2.15 -1.26 -4.91 116.67 113.22 1otd s ASP 116 Ca 0.00 -3.34 -0.18 0.00 0.43 0.00 0.00 52.55 49.45 1otd s ASP 116 Cb 0.00 -0.86 0.03 0.00 -0.30 0.00 0.00 42.92 41.79 1otd s ASP 116 CO 0.00 -0.14 0.74 -0.94 -0.17 0.00 0.00 175.17 174.66 1otd s SER 117 N -0.47 -0.13 0.09 -0.34 1.04 -1.26 -4.84 113.70 107.78 1otd s SER 117 Ca 0.30 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 55.91 1otd s SER 117 Cb 0.01 0.78 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 1otd s SER 117 CO -0.19 -1.50 -0.11 -0.31 0.98 0.00 0.00 173.24 172.11 1otd s TYR 118 N -3.21 1.12 0.02 5.02 1.51 -0.30 -0.48 117.35 121.04 1otd s TYR 118 Ca 0.13 -0.58 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1otd s TYR 118 Cb -0.05 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1otd s TYR 118 CO 0.09 0.03 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.86 1otd s TRP 119 N -2.04 1.10 -0.22 2.71 0.52 0.23 -0.56 118.94 120.68 1otd s TRP 119 Ca 0.03 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1otd s TRP 119 Cb -0.05 -0.67 0.04 0.00 -1.15 0.00 0.00 33.47 31.64 1otd s TRP 119 CO 0.01 0.01 -0.14 0.08 0.02 0.00 0.00 176.95 176.93 1otd s VAL 120 N -0.70 2.02 -0.06 4.03 1.01 0.04 -0.84 120.40 125.90 1otd s VAL 120 Ca 0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1otd s VAL 120 Cb -0.07 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1otd s VAL 120 CO 0.01 0.23 -0.01 -0.36 0.00 0.00 0.00 175.10 174.97 1otd s PHE 121 N 1.23 3.11 -0.01 5.22 0.08 0.30 -0.74 117.98 127.17 1otd s PHE 121 Ca -0.02 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.18 1otd s PHE 121 Cb -0.17 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1otd s PHE 121 CO -0.09 0.45 -0.04 0.08 -0.10 0.00 0.00 175.22 175.52 1otd s VAL 122 N -0.94 0.38 0.03 -0.44 1.01 0.10 -0.79 120.40 119.76 1otd s VAL 122 Ca 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1otd s VAL 122 Cb -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1otd s VAL 122 CO 0.05 0.13 -0.06 -1.59 0.00 0.00 0.00 175.10 173.62 1otd s LYS 123 N 0.18 0.45 0.41 2.72 -2.85 -0.53 -0.51 119.74 119.62 1otd s LYS 123 Ca -0.02 -0.69 -0.25 0.00 -1.00 0.00 0.00 55.97 54.01 1otd s LYS 123 Cb -0.05 -0.17 -0.08 0.00 -2.06 0.00 0.00 37.83 35.47 1otd s LYS 123 CO -0.00 0.02 1.21 1.03 0.10 0.00 0.00 175.35 177.71 1otd s ARG 124 N -1.49 3.97 0.00 1.78 0.52 -1.26 -0.04 118.95 122.43 1otd s ARG 124 Ca -0.11 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 1otd s ARG 124 Cb -0.10 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1otd s ARG 124 CO -0.00 -0.42 0.34 1.33 0.02 0.00 0.00 175.30 176.57