#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh3 s SER 2 N 0.00 3.95 -0.17 1.61 1.04 -1.26 -5.09 113.70 113.78 1wh3 s SER 2 Ca 0.00 0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.59 1wh3 s SER 2 Cb 0.00 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.68 1wh3 s SER 2 CO 0.00 -2.17 -0.06 -0.55 0.98 0.00 0.00 173.24 171.44 1wh3 s SER 3 N -4.74 2.92 -0.17 7.02 0.15 -1.26 -4.96 113.70 112.67 1wh3 s SER 3 Ca 0.68 -0.70 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1wh3 s SER 3 Cb -0.06 -0.96 0.18 0.00 -1.71 0.00 0.00 66.02 63.47 1wh3 s SER 3 CO 0.48 -0.18 0.98 0.61 1.20 0.00 0.00 173.24 176.34 1wh3 n GLY 4 N 4.84 0.34 3.56 9.45 0.00 -1.26 -5.09 105.19 117.04 1wh3 n GLY 4 Ca -0.12 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1wh3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh3 s SER 5 N -0.51 6.11 -0.15 1.61 0.01 -1.26 -4.97 113.70 114.55 1wh3 s SER 5 Ca 0.04 -1.00 -0.27 0.00 1.31 0.00 0.00 55.95 56.04 1wh3 s SER 5 Cb 0.20 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1wh3 s SER 5 CO -0.06 -1.85 0.90 -0.94 0.41 0.00 0.00 173.24 171.70 1wh3 s SER 6 N 5.48 7.07 0.00 2.44 1.04 -1.26 -4.86 113.70 123.61 1wh3 s SER 6 Ca 0.49 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1wh3 s SER 6 Cb -0.04 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wh3 s SER 6 CO -0.01 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wh3 n GLY 7 N 3.31 1.55 3.88 7.32 0.00 -1.26 -4.88 105.19 115.10 1wh3 n GLY 7 Ca 0.06 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 1wh3 n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wh3 s ILE 8 N 1.82 4.84 -0.28 -0.61 -4.36 0.32 -4.71 121.20 118.23 1wh3 s ILE 8 Ca 0.00 0.54 -0.11 0.00 -0.26 0.00 0.00 60.65 60.82 1wh3 s ILE 8 Cb 0.00 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 1wh3 s ILE 8 CO 0.00 -0.32 0.17 -1.58 0.24 0.00 0.00 174.94 173.45 1wh3 s GLN 9 N -3.41 3.84 0.11 0.37 0.74 -1.26 -2.35 119.66 117.70 1wh3 s GLN 9 Ca 0.49 -0.39 0.09 0.00 0.05 0.00 0.00 55.36 55.61 1wh3 s GLN 9 Cb -0.11 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 1wh3 s GLN 9 CO 0.26 -0.21 -0.21 0.14 -0.55 0.00 0.00 175.29 174.72 1wh3 s VAL 10 N 1.73 2.66 -0.38 1.34 -7.23 -0.97 0.28 120.40 117.84 1wh3 s VAL 10 Ca 0.07 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 1wh3 s VAL 10 Cb -0.16 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1wh3 s VAL 10 CO 0.10 0.13 0.24 -0.36 -0.31 0.00 0.00 175.10 174.89 1wh3 s PHE 11 N -1.09 3.24 -0.48 2.82 0.08 0.69 -0.98 117.98 122.26 1wh3 s PHE 11 Ca 0.16 -0.77 -0.20 0.00 0.12 0.00 0.00 56.93 56.24 1wh3 s PHE 11 Cb -0.10 -2.49 0.04 0.00 -0.57 0.00 0.00 43.02 39.90 1wh3 s PHE 11 CO 0.08 -0.60 0.67 0.08 -0.10 0.00 0.00 175.22 175.35 1wh3 s VAL 12 N 1.61 4.80 -0.15 -0.44 1.01 0.18 -0.39 120.40 127.03 1wh3 s VAL 12 Ca 0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.70 1wh3 s VAL 12 Cb -0.19 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1wh3 s VAL 12 CO 0.08 -0.73 0.67 -0.75 0.00 0.00 0.00 175.10 174.37 1wh3 s LYS 13 N 2.87 4.30 0.46 2.72 2.20 0.49 -2.28 119.74 130.51 1wh3 s LYS 13 Ca 0.21 0.74 -0.17 0.00 -0.36 0.00 0.00 55.97 56.39 1wh3 s LYS 13 Cb -0.16 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1wh3 s LYS 13 CO 0.16 -0.12 0.93 -0.80 -0.36 0.00 0.00 175.35 175.16 1wh3 s ASN 14 N 1.02 6.70 0.53 1.43 0.01 -0.89 -0.81 114.94 122.93 1wh3 s ASN 14 Ca 0.32 1.52 0.32 0.00 -0.71 0.00 0.00 52.86 54.32 1wh3 s ASN 14 Cb -0.16 -2.48 1.33 0.00 0.41 0.00 0.00 41.25 40.34 1wh3 s ASN 14 CO 0.13 -0.48 1.97 1.55 -1.51 0.00 0.00 177.10 178.77 1wh3 h PRO 15 N 1.32 0.00 0.06 -0.60 0.13 -1.85 -3.19 132.00 127.87 1wh3 h PRO 15 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1wh3 h PRO 15 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wh3 h PRO 15 CO 0.62 0.05 -1.32 -0.44 -0.23 0.00 0.00 178.00 176.68 1wh3 h ASP 16 N 0.00 0.20 0.00 1.44 3.32 -1.93 -3.50 116.42 115.95 1wh3 h ASP 16 Ca -0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1wh3 h ASP 16 Cb 0.53 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1wh3 h ASP 16 CO 0.01 1.55 0.00 0.61 -1.72 0.00 0.00 179.24 179.69 1wh3 n GLY 17 N 1.65 3.27 0.00 2.75 0.00 -1.21 -5.19 105.19 106.46 1wh3 n GLY 17 Ca -0.28 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wh3 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh3 n GLY 18 N 0.00 2.04 3.59 -0.02 0.00 -1.26 -4.79 105.19 104.75 1wh3 n GLY 18 Ca 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 46.02 43.91 1wh3 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh3 s SER 19 N 0.00 -0.91 0.23 1.61 1.04 -1.26 -2.11 113.70 112.30 1wh3 s SER 19 Ca 0.00 1.31 0.08 0.00 0.48 0.00 0.00 55.95 57.82 1wh3 s SER 19 Cb 0.00 1.88 -0.04 0.00 0.10 0.00 0.00 66.02 67.96 1wh3 s SER 19 CO 0.00 -0.19 0.02 -0.31 0.98 0.00 0.00 173.24 173.74 1wh3 s TYR 20 N 2.41 2.80 -0.34 5.02 2.02 -0.96 -4.89 117.35 123.40 1wh3 s TYR 20 Ca -0.06 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1wh3 s TYR 20 Cb -0.08 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1wh3 s TYR 20 CO -0.18 0.57 0.19 0.00 -1.57 0.00 0.00 175.55 174.56 1wh3 s ALA 21 N -2.09 3.30 0.24 3.71 0.00 -1.26 -0.64 121.76 125.02 1wh3 s ALA 21 Ca 0.30 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1wh3 s ALA 21 Cb -0.08 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1wh3 s ALA 21 CO 0.20 -1.14 0.43 0.71 0.00 0.00 0.00 175.76 175.96 1wh3 s TYR 22 N 1.60 3.48 -0.18 0.00 1.51 -0.15 -4.91 117.35 118.70 1wh3 s TYR 22 Ca 0.04 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1wh3 s TYR 22 Cb -0.18 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1wh3 s TYR 22 CO 0.07 0.32 -0.18 0.00 -1.11 0.00 0.00 175.55 174.64 1wh3 s ALA 23 N -1.99 2.38 -0.09 3.71 0.00 -1.26 -2.28 121.76 122.22 1wh3 s ALA 23 Ca 0.39 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.90 1wh3 s ALA 23 Cb -0.10 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1wh3 s ALA 23 CO 0.31 -0.34 0.57 -1.50 0.00 0.00 0.00 175.76 174.79 1wh3 s ILE 24 N 1.29 0.01 0.34 0.00 2.07 -0.99 -4.91 121.20 119.01 1wh3 s ILE 24 Ca 0.05 -0.11 -0.26 0.00 -1.41 0.00 0.00 60.65 58.91 1wh3 s ILE 24 Cb -0.13 -0.86 -0.09 0.00 0.13 0.00 0.00 42.46 41.51 1wh3 s ILE 24 CO -0.11 -0.06 1.02 0.20 -1.91 0.00 0.00 174.94 174.07 1wh3 s ASN 25 N -0.77 7.11 0.38 4.50 0.01 -1.26 0.12 114.94 125.02 1wh3 s ASN 25 Ca -0.08 2.02 0.28 0.00 -0.71 0.00 0.00 52.86 54.36 1wh3 s ASN 25 Cb -0.02 -2.59 1.17 0.00 0.41 0.00 0.00 41.25 40.21 1wh3 s ASN 25 CO 0.06 -0.24 1.83 1.55 -1.51 0.00 0.00 177.10 178.79 1wh3 h PRO 26 N 3.09 0.00 -0.00 -0.60 0.13 -1.93 -2.32 132.00 130.37 1wh3 h PRO 26 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wh3 h PRO 26 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wh3 h PRO 26 CO 0.64 0.00 -0.35 -1.71 -0.23 0.00 0.00 178.00 176.36 1wh3 n ASN 27 N -2.59 0.39 -4.87 1.44 5.15 -1.26 -3.19 115.26 110.33 1wh3 n ASN 27 Ca 0.01 -0.10 -0.31 0.00 -0.60 0.00 0.00 54.58 53.59 1wh3 n ASN 27 Cb 0.25 0.04 -0.04 0.00 -0.53 0.00 0.00 39.78 39.50 1wh3 n ASN 27 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wh3 s SER 28 N -2.96 6.59 0.81 1.20 0.01 -0.87 -4.95 113.70 113.53 1wh3 s SER 28 Ca 0.13 1.05 -0.13 0.00 1.31 0.00 0.00 55.95 58.31 1wh3 s SER 28 Cb 0.18 -2.28 0.08 0.00 0.21 0.00 0.00 66.02 64.21 1wh3 s SER 28 CO 0.64 -0.24 1.18 -0.36 0.41 0.00 0.00 173.24 174.87 1wh3 s PHE 29 N -2.10 1.89 0.23 2.43 0.08 -1.26 -3.66 117.98 115.58 1wh3 s PHE 29 Ca 0.50 1.67 -0.07 0.00 0.12 0.00 0.00 56.93 59.15 1wh3 s PHE 29 Cb -0.11 -3.41 0.29 0.00 -0.57 0.00 0.00 43.02 39.22 1wh3 s PHE 29 CO 0.25 -2.68 1.84 0.82 -0.10 0.00 0.00 175.22 175.35 1wh3 h ILE 30 N -0.96 1.03 -0.86 0.64 1.08 -0.92 -2.32 117.51 115.20 1wh3 h ILE 30 Ca -0.46 -0.30 0.22 0.00 -0.39 0.00 0.00 64.86 63.93 1wh3 h ILE 30 Cb 1.28 0.07 -0.15 0.00 -3.07 0.00 0.00 36.82 34.96 1wh3 h ILE 30 CO 0.46 0.16 0.10 0.25 -0.69 0.00 0.00 178.15 178.44 1wh3 h LEU 31 N 0.89 -0.24 -1.65 1.44 5.85 -1.70 0.37 115.31 120.26 1wh3 h LEU 31 Ca 0.34 0.21 0.46 0.00 0.84 0.00 0.00 57.88 59.73 1wh3 h LEU 31 Cb 0.15 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1wh3 h LEU 31 CO -0.16 -0.21 1.01 1.23 -0.34 0.00 0.00 178.44 179.97 1wh3 h GLY 32 N 0.13 0.75 0.20 3.75 0.00 -1.71 0.28 103.07 106.47 1wh3 h GLY 32 Ca 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 1wh3 h GLY 32 CO -0.72 -0.22 -0.18 -2.00 0.00 0.00 0.00 176.54 173.43 1wh3 h LEU 33 N 0.06 0.11 0.64 3.11 5.85 -0.42 -3.21 115.31 121.45 1wh3 h LEU 33 Ca 0.81 -0.95 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1wh3 h LEU 33 Cb 2.84 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 43.83 1wh3 h LEU 33 CO -0.24 1.05 -0.38 0.11 -0.34 0.00 0.00 178.44 178.64 1wh3 h LYS 34 N -0.81 -0.92 -0.97 1.25 6.56 -0.46 -2.71 116.57 118.52 1wh3 h LYS 34 Ca -0.03 0.06 0.32 0.00 -1.06 0.00 0.00 60.65 59.94 1wh3 h LYS 34 Cb 1.10 0.21 -0.17 0.00 -0.57 0.00 0.00 32.23 32.80 1wh3 h LYS 34 CO 0.03 -0.61 0.31 0.37 -2.06 0.00 0.00 179.45 177.49 1wh3 h GLN 35 N -0.95 0.09 -0.93 3.15 -0.00 -1.07 1.10 115.11 116.50 1wh3 h GLN 35 Ca -0.09 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.62 1wh3 h GLN 35 Cb 0.76 -0.02 -0.06 0.00 0.00 0.00 0.00 27.48 28.15 1wh3 h GLN 35 CO 0.10 0.06 0.61 1.96 0.00 0.00 0.00 178.83 181.56 1wh3 h GLN 36 N 0.10 1.05 -0.34 1.69 4.20 -1.49 -1.06 115.11 119.26 1wh3 h GLN 36 Ca 0.68 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 59.19 1wh3 h GLN 36 Cb 1.58 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1wh3 h GLN 36 CO -0.77 0.69 -0.35 0.82 -0.67 0.00 0.00 178.83 178.56 1wh3 h ILE 37 N 1.08 1.28 0.00 2.54 2.04 0.15 -1.42 117.51 123.19 1wh3 h ILE 37 Ca 0.40 -1.51 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 1wh3 h ILE 37 Cb 0.17 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1wh3 h ILE 37 CO -0.15 0.49 -0.34 -0.08 0.00 0.00 0.00 178.15 178.08 1wh3 h GLU 38 N 0.64 0.00 0.00 2.37 4.81 -0.49 0.33 114.58 122.24 1wh3 h GLU 38 Ca 0.06 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1wh3 h GLU 38 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1wh3 h GLU 38 CO 0.08 0.34 -0.72 -0.44 -0.73 0.00 0.00 179.01 177.53 1wh3 h ASP 39 N 0.00 0.00 0.00 1.04 3.32 -1.01 -1.52 116.42 118.25 1wh3 h ASP 39 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1wh3 h ASP 39 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1wh3 h ASP 39 CO 0.04 0.23 -0.83 0.00 -1.72 0.00 0.00 179.24 176.96 1wh3 n GLN 40 N -2.95 0.49 0.09 3.56 1.13 -0.55 -4.61 117.38 114.54 1wh3 n GLN 40 Ca -0.01 0.51 -0.23 0.00 -1.94 0.00 0.00 57.00 55.33 1wh3 n GLN 40 Cb 0.64 -1.69 -0.15 0.00 0.11 0.00 0.00 30.24 29.16 1wh3 n GLN 40 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1wh3 h GLN 41 N -1.00 0.43 0.00 -1.09 4.20 -0.54 -3.49 115.11 113.63 1wh3 h GLN 41 Ca -0.12 -0.74 0.00 0.00 0.06 0.00 0.00 58.65 57.85 1wh3 h GLN 41 Cb 0.80 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1wh3 h GLN 41 CO -0.07 1.35 0.00 0.41 -0.67 0.00 0.00 178.83 179.85 1wh3 n GLY 42 N 1.77 1.40 3.74 3.46 0.00 -0.57 -5.03 105.19 109.96 1wh3 n GLY 42 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1wh3 n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wh3 s LEU 43 N 0.00 4.44 0.84 0.99 0.20 -1.25 -4.90 118.68 119.00 1wh3 s LEU 43 Ca 0.00 2.30 -0.11 0.00 0.69 0.00 0.00 54.13 57.01 1wh3 s LEU 43 Cb 0.00 -3.61 0.10 0.00 -0.43 0.00 0.00 46.19 42.25 1wh3 s LEU 43 CO 0.00 -0.42 1.09 -2.16 -0.29 0.00 0.00 176.35 174.57 1wh3 s PRO 44 N -0.30 1.71 0.07 0.98 0.04 -1.26 -3.68 135.00 132.56 1wh3 s PRO 44 Ca 0.54 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 1wh3 s PRO 44 Cb -0.34 -1.85 -0.26 0.00 0.04 0.00 0.00 34.50 32.10 1wh3 s PRO 44 CO 0.38 -1.97 1.14 0.87 0.04 0.00 0.00 177.00 177.46 1wh3 h LYS 45 N -1.36 0.49 0.00 4.56 1.57 -1.93 -2.63 116.57 117.26 1wh3 h LYS 45 Ca -0.47 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 57.63 1wh3 h LYS 45 Cb 1.26 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1wh3 h LYS 45 CO 0.53 1.29 0.15 0.36 -0.57 0.00 0.00 179.45 181.22 1wh3 n LYS 46 N -3.71 0.10 -0.07 3.15 2.85 -1.26 -2.64 118.16 116.58 1wh3 n LYS 46 Ca -0.11 0.58 -0.12 0.00 -1.05 0.00 0.00 58.31 57.61 1wh3 n LYS 46 Cb 0.98 -1.99 -0.04 0.00 -0.65 0.00 0.00 35.03 33.33 1wh3 n LYS 46 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1wh3 n GLN 47 N -2.08 0.43 -1.74 -1.58 6.02 -1.20 -4.65 117.38 112.58 1wh3 n GLN 47 Ca -0.01 0.18 -0.39 0.00 -0.01 0.00 0.00 57.00 56.77 1wh3 n GLN 47 Cb 0.17 -1.24 0.04 0.00 1.02 0.00 0.00 30.24 30.23 1wh3 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh3 n GLN 48 N -4.17 1.76 -3.45 -1.09 10.64 -1.00 0.51 117.38 120.57 1wh3 n GLN 48 Ca -0.20 0.64 -0.16 0.00 -1.83 0.00 0.00 57.00 55.45 1wh3 n GLN 48 Cb 0.52 -2.55 -0.12 0.00 -0.86 0.00 0.00 30.24 27.23 1wh3 n GLN 48 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1wh3 s GLN 49 N -2.77 0.23 -0.01 2.61 0.74 0.17 -4.84 119.66 115.80 1wh3 s GLN 49 Ca 0.70 0.28 -0.21 0.00 0.05 0.00 0.00 55.36 56.17 1wh3 s GLN 49 Cb -0.43 -1.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.61 1wh3 s GLN 49 CO 0.51 -0.66 0.63 -0.51 -0.55 0.00 0.00 175.29 174.71 1wh3 s LEU 50 N 2.38 4.40 0.05 3.68 1.43 -1.26 -3.32 118.68 126.05 1wh3 s LEU 50 Ca 0.08 1.19 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1wh3 s LEU 50 Cb -0.16 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1wh3 s LEU 50 CO -0.13 0.06 -0.14 -1.61 0.23 0.00 0.00 176.35 174.76 1wh3 s GLU 51 N -0.02 0.90 0.00 1.70 2.02 -1.23 -2.84 118.70 119.22 1wh3 s GLU 51 Ca 0.33 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1wh3 s GLU 51 Cb -0.18 -0.90 -0.00 0.00 0.10 0.00 0.00 34.13 33.14 1wh3 s GLU 51 CO 0.18 0.22 -0.01 0.12 0.02 0.00 0.00 175.26 175.78 1wh3 s PHE 52 N -0.94 0.12 -0.20 1.61 5.36 -0.54 -3.79 117.98 119.60 1wh3 s PHE 52 Ca 0.01 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1wh3 s PHE 52 Cb -0.08 -0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 1wh3 s PHE 52 CO 0.01 -0.01 0.00 1.04 -1.46 0.00 0.00 175.22 174.80 1wh3 n GLN 53 N 2.97 -2.48 -2.57 10.12 6.02 -1.26 0.11 117.38 130.29 1wh3 n GLN 53 Ca -0.13 0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 1wh3 n GLN 53 Cb 0.59 -4.53 0.01 0.00 1.02 0.00 0.00 30.24 27.33 1wh3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wh3 n GLY 54 N -0.45 0.65 2.91 1.08 0.00 -1.26 -5.07 105.19 103.05 1wh3 n GLY 54 Ca -0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1wh3 n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wh3 s GLN 55 N -4.99 0.11 0.07 1.61 -2.07 0.30 -5.14 119.66 109.55 1wh3 s GLN 55 Ca 0.07 -0.20 -0.26 0.00 -1.82 0.00 0.00 55.36 53.15 1wh3 s GLN 55 Cb -0.03 0.03 -0.06 0.00 -1.09 0.00 0.00 33.01 31.86 1wh3 s GLN 55 CO 0.11 -0.01 0.79 0.08 -1.32 0.00 0.00 175.29 174.94 1wh3 s VAL 56 N -0.48 4.64 -0.09 3.63 1.01 -1.26 -1.46 120.40 126.38 1wh3 s VAL 56 Ca -0.05 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.53 1wh3 s VAL 56 Cb -0.03 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1wh3 s VAL 56 CO -0.00 0.39 0.22 -0.76 0.00 0.00 0.00 175.10 174.94 1wh3 s LEU 57 N -0.24 4.40 0.00 3.92 1.43 -1.13 -4.99 118.68 122.07 1wh3 s LEU 57 Ca 0.39 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1wh3 s LEU 57 Cb -0.21 -2.22 0.09 0.00 0.03 0.00 0.00 46.19 43.88 1wh3 s LEU 57 CO 0.24 0.37 0.62 0.00 0.23 0.00 0.00 176.35 177.81 1wh3 n GLN 58 N 2.07 0.12 -0.00 1.70 1.13 -1.26 -4.84 117.38 116.30 1wh3 n GLN 58 Ca -0.18 -1.62 0.06 0.00 -1.94 0.00 0.00 57.00 53.31 1wh3 n GLN 58 Cb 0.54 -0.43 -0.08 0.00 0.11 0.00 0.00 30.24 30.38 1wh3 n GLN 58 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1wh3 n ASP 59 N -2.98 1.90 -0.06 1.08 9.92 -1.26 -4.25 116.55 120.90 1wh3 n ASP 59 Ca 0.10 -0.19 -0.12 0.00 -0.53 0.00 0.00 54.79 54.04 1wh3 n ASP 59 Cb 0.36 1.39 -0.14 0.00 -0.64 0.00 0.00 41.12 42.09 1wh3 n ASP 59 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1wh3 n TRP 60 N -1.74 0.57 -0.65 1.24 2.14 -1.26 -2.86 117.44 114.88 1wh3 n TRP 60 Ca -0.01 0.18 -0.28 0.00 2.07 0.00 0.00 57.50 59.46 1wh3 n TRP 60 Cb 0.27 -1.09 0.25 0.00 -0.81 0.00 0.00 31.31 29.92 1wh3 n TRP 60 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1wh3 n LEU 61 N -3.05 0.00 -4.47 5.67 4.77 -1.26 -4.68 117.00 113.98 1wh3 n LEU 61 Ca -0.29 -0.96 -0.23 0.00 -0.03 0.00 0.00 56.01 54.51 1wh3 n LEU 61 Cb 1.08 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1wh3 n LEU 61 CO 0.41 -2.39 -0.33 -0.83 -1.33 0.00 0.00 177.39 172.93 1wh3 s GLY 62 N -3.74 2.03 0.25 -0.72 0.00 -1.26 -0.46 107.32 103.43 1wh3 s GLY 62 Ca 0.64 -2.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 1wh3 s GLY 62 CO 0.51 -1.89 1.81 1.41 0.00 0.00 0.00 173.10 174.94 1wh3 h LEU 63 N 2.14 0.92 0.29 0.66 4.07 -1.65 -3.13 115.31 118.61 1wh3 h LEU 63 Ca -0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.39 1wh3 h LEU 63 Cb 1.24 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1wh3 h LEU 63 CO 0.70 0.84 -0.14 1.23 -1.08 0.00 0.00 178.44 180.00 1wh3 h GLY 64 N 1.05 -0.41 -0.75 0.83 0.00 -1.84 -0.77 103.07 101.19 1wh3 h GLY 64 Ca 0.22 0.15 0.17 0.00 0.00 0.00 0.00 47.33 47.87 1wh3 h GLY 64 CO -0.01 -0.15 -0.13 1.39 0.00 0.00 0.00 176.54 177.64 1wh3 n ILE 65 N -5.19 -0.32 0.06 2.60 -0.00 -1.18 0.83 119.36 116.16 1wh3 n ILE 65 Ca -0.10 1.70 -0.20 0.00 -0.00 0.00 0.00 62.75 64.15 1wh3 n ILE 65 Cb 0.22 -2.39 -0.13 0.00 -0.00 0.00 0.00 39.64 37.35 1wh3 n ILE 65 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1wh3 h TYR 66 N 0.00 0.76 0.00 1.39 0.05 -1.61 -3.49 116.97 114.07 1wh3 h TYR 66 Ca 0.39 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1wh3 h TYR 66 Cb 0.67 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1wh3 h TYR 66 CO -0.52 1.34 0.00 0.41 -1.05 0.00 0.00 178.16 178.34 1wh3 n GLY 67 N 1.38 1.90 3.77 3.88 0.00 0.24 -5.11 105.19 111.26 1wh3 n GLY 67 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1wh3 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh3 s ILE 68 N -2.00 3.00 0.23 -0.61 1.01 -0.51 -5.00 121.20 117.32 1wh3 s ILE 68 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.47 1wh3 s ILE 68 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 1wh3 s ILE 68 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.97 1wh3 s GLN 69 N -2.56 1.33 1.20 2.79 -2.07 -1.26 -4.73 119.66 114.35 1wh3 s GLN 69 Ca 0.62 -1.68 -0.13 0.00 -1.82 0.00 0.00 55.36 52.35 1wh3 s GLN 69 Cb -0.31 -0.59 0.30 0.00 -1.09 0.00 0.00 33.01 31.32 1wh3 s GLN 69 CO 0.38 -0.11 1.02 0.16 -1.32 0.00 0.00 175.29 175.42 1wh3 s ASP 70 N -3.30 0.71 -1.40 12.60 -4.77 -1.26 -3.23 116.67 116.02 1wh3 s ASP 70 Ca 0.29 1.43 0.00 0.00 -3.30 0.00 0.00 52.55 50.96 1wh3 s ASP 70 Cb 0.06 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 39.68 1wh3 s ASP 70 CO 0.09 -4.35 0.00 -1.54 0.70 0.00 0.00 175.17 170.06 1wh3 n SER 71 N -5.01 -4.42 -4.96 2.11 3.41 0.14 -4.95 113.62 99.95 1wh3 n SER 71 Ca 0.03 0.20 -0.22 0.00 -0.26 0.00 0.00 58.87 58.62 1wh3 n SER 71 Cb 0.55 -3.81 -0.01 0.00 -0.26 0.00 0.00 64.21 60.68 1wh3 n SER 71 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wh3 s ASP 72 N -2.11 6.12 -0.09 4.04 1.11 -1.20 -4.92 116.67 119.62 1wh3 s ASP 72 Ca 0.00 0.22 0.02 0.00 0.18 0.00 0.00 52.55 52.97 1wh3 s ASP 72 Cb 0.00 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.24 1wh3 s ASP 72 CO 0.00 -0.38 -0.14 -0.89 1.18 0.00 0.00 175.17 174.93 1wh3 s THR 73 N -2.29 2.99 -0.09 -1.27 2.01 -1.26 -0.22 115.64 115.50 1wh3 s THR 73 Ca 0.42 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1wh3 s THR 73 Cb -0.10 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1wh3 s THR 73 CO 0.34 0.56 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.89 1wh3 s LEU 74 N -0.12 1.85 0.13 4.42 1.43 0.48 -4.94 118.68 121.92 1wh3 s LEU 74 Ca -0.02 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 1wh3 s LEU 74 Cb -0.14 -1.11 -0.07 0.00 0.03 0.00 0.00 46.19 44.90 1wh3 s LEU 74 CO 0.04 0.08 0.78 -0.63 0.23 0.00 0.00 176.35 176.85 1wh3 s ILE 75 N 0.58 4.48 -0.18 -0.59 -1.09 -1.25 -0.38 121.20 122.78 1wh3 s ILE 75 Ca -0.15 1.70 -0.02 0.00 -2.23 0.00 0.00 60.65 59.95 1wh3 s ILE 75 Cb -0.17 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.57 1wh3 s ILE 75 CO 0.05 0.47 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.90 1wh3 s LEU 76 N -0.77 2.69 -0.09 2.97 2.96 0.01 -3.49 118.68 122.96 1wh3 s LEU 76 Ca 0.37 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 1wh3 s LEU 76 Cb -0.22 -1.64 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1wh3 s LEU 76 CO 0.25 0.06 0.22 -0.44 -1.32 0.00 0.00 176.35 175.12 1wh3 s SER 77 N 1.00 -0.23 0.26 3.68 0.01 -1.21 -2.57 113.70 114.63 1wh3 s SER 77 Ca -0.01 0.45 -0.24 0.00 1.31 0.00 0.00 55.95 57.46 1wh3 s SER 77 Cb -0.15 0.41 -0.09 0.00 0.21 0.00 0.00 66.02 66.40 1wh3 s SER 77 CO -0.01 -0.11 0.85 -1.59 0.41 0.00 0.00 173.24 172.79 1wh3 s LYS 78 N 0.55 4.51 0.17 12.44 -2.85 -1.26 -0.65 119.74 132.65 1wh3 s LYS 78 Ca -0.04 1.18 -0.31 0.00 -1.00 0.00 0.00 55.97 55.80 1wh3 s LYS 78 Cb -0.05 -2.94 -0.09 0.00 -2.06 0.00 0.00 37.83 32.68 1wh3 s LYS 78 CO -0.03 0.38 1.45 0.15 0.10 0.00 0.00 175.35 177.40 1wh3 s LYS 79 N -1.80 4.28 -0.33 1.78 1.02 0.18 -4.94 119.74 119.93 1wh3 s LYS 79 Ca 0.45 2.21 -0.08 0.00 0.02 0.00 0.00 55.97 58.57 1wh3 s LYS 79 Cb -0.19 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 1wh3 s LYS 79 CO 0.24 -0.46 0.13 0.21 -0.92 0.00 0.00 175.35 174.55 1wh3 s LYS 80 N 0.63 2.87 0.00 1.68 2.47 -1.26 -4.93 119.74 121.20 1wh3 s LYS 80 Ca 0.64 -1.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.03 1wh3 s LYS 80 Cb -0.40 -3.51 0.00 0.00 -1.46 0.00 0.00 37.83 32.46 1wh3 s LYS 80 CO 0.34 -0.59 0.00 0.41 0.16 0.00 0.00 175.35 175.67 1wh3 n GLY 81 N 4.89 2.83 3.39 5.54 0.00 -1.26 -5.18 105.19 115.39 1wh3 n GLY 81 Ca -0.13 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1wh3 n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh3 s SER 82 N 0.00 -0.10 0.00 1.61 0.15 -1.26 -5.18 113.70 108.92 1wh3 s SER 82 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1wh3 s SER 82 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1wh3 s SER 82 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1wh3 n GLY 83 N -0.25 4.48 3.64 9.45 0.00 -1.26 -5.11 105.19 116.14 1wh3 n GLY 83 Ca -0.10 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1wh3 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh3 s PRO 84 N 1.68 3.90 1.38 1.61 0.04 -1.26 -5.00 135.00 137.34 1wh3 s PRO 84 Ca 0.00 1.74 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 1wh3 s PRO 84 Cb 0.00 -4.00 0.35 0.00 0.04 0.00 0.00 34.50 30.89 1wh3 s PRO 84 CO 0.00 -1.17 0.87 0.43 0.04 0.00 0.00 177.00 177.16 1wh3 n SER 85 N 8.07 -3.48 0.05 6.66 7.64 -1.26 -5.02 113.62 126.29 1wh3 n SER 85 Ca 0.18 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1wh3 n SER 85 Cb 0.45 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1wh3 n SER 85 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh3 n SER 86 N -5.30 0.18 0.00 6.43 7.64 -1.26 -5.33 113.62 115.98 1wh3 n SER 86 Ca 0.10 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wh3 n SER 86 Cb 0.57 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1wh3 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64