#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 5.89 0.04 1.61 0.01 -1.26 -5.03 113.70 114.96 1wh3 s SER 2 Ca 0.00 2.80 0.04 0.00 1.31 0.00 0.00 55.95 60.11 1wh3 s SER 2 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1wh3 s SER 2 CO 0.00 -1.16 -0.13 -0.94 0.41 0.00 0.00 173.24 171.43 1wh3 s SER 3 N -0.68 1.52 0.00 2.44 1.04 -1.26 -5.12 113.70 111.65 1wh3 s SER 3 Ca 0.62 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1wh3 s SER 3 Cb -0.41 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1wh3 s SER 3 CO 0.52 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.36 1wh3 n GLY 4 N 1.91 2.99 3.17 7.32 0.00 -1.26 -5.12 105.19 114.21 1wh3 n GLY 4 Ca -0.18 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 -0.18 -0.04 1.61 0.01 -1.26 -5.15 113.70 108.68 1wh3 s SER 5 Ca 0.00 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.09 1wh3 s SER 5 Cb 0.00 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.11 1wh3 s SER 5 CO 0.00 -0.21 -0.15 -0.44 0.41 0.00 0.00 173.24 172.84 1wh3 s SER 6 N 2.02 1.97 0.00 2.44 0.01 -1.26 -5.09 113.70 113.79 1wh3 s SER 6 Ca -0.04 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1wh3 s SER 6 Cb -0.11 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.52 1wh3 s SER 6 CO -0.11 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1wh3 n GLY 7 N 3.27 0.78 3.38 3.44 0.00 -1.26 -4.67 105.19 110.13 1wh3 n GLY 7 Ca -0.19 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.92 1.80 -0.23 -0.61 -4.36 -0.69 -4.94 121.20 111.26 1wh3 s ILE 8 Ca 0.00 -2.22 -0.07 0.00 -0.26 0.00 0.00 60.65 58.11 1wh3 s ILE 8 Cb 0.00 -2.17 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 1wh3 s ILE 8 CO 0.00 -0.51 0.05 -1.58 0.24 0.00 0.00 174.94 173.15 1wh3 s GLN 9 N -3.65 3.66 0.08 0.37 0.74 -1.26 -2.70 119.66 116.91 1wh3 s GLN 9 Ca 0.25 -0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.26 1wh3 s GLN 9 Cb -0.00 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 1wh3 s GLN 9 CO 0.09 -0.11 -0.19 0.14 -0.55 0.00 0.00 175.29 174.67 1wh3 s VAL 10 N 1.37 2.72 -0.40 1.34 -7.23 -1.10 -0.09 120.40 117.02 1wh3 s VAL 10 Ca 0.05 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 1wh3 s VAL 10 Cb -0.15 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.65 1wh3 s VAL 10 CO 0.03 0.22 0.25 -0.36 -0.31 0.00 0.00 175.10 174.93 1wh3 s PHE 11 N -1.02 3.26 -0.47 2.82 0.08 -0.43 -1.43 117.98 120.80 1wh3 s PHE 11 Ca 0.16 -1.05 -0.23 0.00 0.12 0.00 0.00 56.93 55.93 1wh3 s PHE 11 Cb -0.10 -2.65 0.03 0.00 -0.57 0.00 0.00 43.02 39.73 1wh3 s PHE 11 CO 0.07 -0.71 0.79 0.08 -0.10 0.00 0.00 175.22 175.36 1wh3 s VAL 12 N 1.55 4.63 -0.43 -0.44 1.01 -0.75 -0.76 120.40 125.21 1wh3 s VAL 12 Ca 0.03 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 1wh3 s VAL 12 Cb -0.21 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1wh3 s VAL 12 CO 0.06 -0.77 0.68 -0.75 0.00 0.00 0.00 175.10 174.32 1wh3 s LYS 13 N 3.32 3.39 0.62 2.72 2.20 -0.35 -2.72 119.74 128.92 1wh3 s LYS 13 Ca 0.29 -0.22 -0.16 0.00 -0.36 0.00 0.00 55.97 55.52 1wh3 s LYS 13 Cb -0.13 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.25 1wh3 s LYS 13 CO 0.22 -0.99 1.09 -0.80 -0.36 0.00 0.00 175.35 174.50 1wh3 s ASN 14 N 2.00 5.48 0.00 1.43 0.01 -0.11 -1.07 114.94 122.68 1wh3 s ASN 14 Ca 0.25 1.92 0.13 0.00 -0.71 0.00 0.00 52.86 54.46 1wh3 s ASN 14 Cb -0.14 -2.54 0.80 0.00 0.41 0.00 0.00 41.25 39.78 1wh3 s ASN 14 CO 0.19 -1.38 1.22 -0.81 -1.51 0.00 0.00 177.10 174.82 1wh3 n PRO 15 N -2.14 0.49 -0.13 -0.60 -0.04 -1.00 -2.97 135.00 128.60 1wh3 n PRO 15 Ca 0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 1wh3 n PRO 15 Cb 0.52 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 1wh3 n PRO 15 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wh3 n ASP 16 N -0.93 1.95 0.00 3.54 8.00 -1.26 -5.04 116.55 122.81 1wh3 n ASP 16 Ca 0.10 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1wh3 n ASP 16 Cb 0.05 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1wh3 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wh3 n GLY 17 N 1.41 -0.48 3.63 0.44 0.00 -1.16 -5.17 105.19 103.86 1wh3 n GLY 17 Ca -0.49 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1wh3 n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh3 s GLY 18 N 0.00 -0.60 -0.20 -0.02 0.00 -1.26 -4.99 107.32 100.24 1wh3 s GLY 18 Ca 0.00 2.28 0.01 0.00 0.00 0.00 0.00 44.72 47.01 1wh3 s GLY 18 CO 0.00 2.16 -0.17 -1.35 0.00 0.00 0.00 173.10 173.75 1wh3 s SER 19 N 1.18 3.53 0.26 1.64 1.04 -1.26 -0.93 113.70 119.15 1wh3 s SER 19 Ca -0.06 -0.81 0.08 0.00 0.48 0.00 0.00 55.95 55.64 1wh3 s SER 19 Cb -0.05 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 1wh3 s SER 19 CO -0.12 -0.05 0.09 -0.31 0.98 0.00 0.00 173.24 173.83 1wh3 s TYR 20 N 1.26 2.90 -0.36 5.02 2.02 -1.10 -4.90 117.35 122.20 1wh3 s TYR 20 Ca 0.02 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 1wh3 s TYR 20 Cb -0.15 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1wh3 s TYR 20 CO -0.10 0.57 0.22 0.00 -1.57 0.00 0.00 175.55 174.66 1wh3 s ALA 21 N -2.21 3.35 0.28 3.71 0.00 -1.26 -1.82 121.76 123.81 1wh3 s ALA 21 Ca 0.32 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.76 1wh3 s ALA 21 Cb -0.07 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1wh3 s ALA 21 CO 0.22 -1.20 0.38 0.71 0.00 0.00 0.00 175.76 175.86 1wh3 s TYR 22 N 1.62 3.28 -0.18 0.00 1.51 -0.52 -4.95 117.35 118.12 1wh3 s TYR 22 Ca 0.04 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1wh3 s TYR 22 Cb -0.18 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1wh3 s TYR 22 CO 0.08 0.29 -0.12 0.00 -1.11 0.00 0.00 175.55 174.69 1wh3 s ALA 23 N -2.07 1.97 -0.14 3.71 0.00 -1.26 -2.72 121.76 121.23 1wh3 s ALA 23 Ca 0.38 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1wh3 s ALA 23 Cb -0.09 -1.20 0.06 0.00 0.00 0.00 0.00 23.12 21.89 1wh3 s ALA 23 CO 0.29 -0.64 0.60 -1.50 0.00 0.00 0.00 175.76 174.51 1wh3 s ILE 24 N 1.42 0.01 0.38 0.00 2.07 -1.10 -5.00 121.20 118.98 1wh3 s ILE 24 Ca 0.01 -0.06 -0.26 0.00 -1.41 0.00 0.00 60.65 58.93 1wh3 s ILE 24 Cb -0.15 -0.88 -0.09 0.00 0.13 0.00 0.00 42.46 41.48 1wh3 s ILE 24 CO -0.09 -0.03 1.17 0.20 -1.91 0.00 0.00 174.94 174.28 1wh3 s ASN 25 N -0.40 6.64 0.54 4.50 0.01 -1.26 -1.70 114.94 123.28 1wh3 s ASN 25 Ca -0.05 2.36 0.33 0.00 -0.71 0.00 0.00 52.86 54.79 1wh3 s ASN 25 Cb -0.03 -2.62 1.37 0.00 0.41 0.00 0.00 41.25 40.38 1wh3 s ASN 25 CO 0.04 -0.59 1.99 1.55 -1.51 0.00 0.00 177.10 178.58 1wh3 h PRO 26 N 2.84 0.00 -0.09 -0.60 0.13 -1.93 -2.92 132.00 129.44 1wh3 h PRO 26 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 1wh3 h PRO 26 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wh3 h PRO 26 CO 0.63 0.03 -0.73 -0.91 -0.23 0.00 0.00 178.00 176.79 1wh3 h ASN 27 N 0.00 0.53 -3.09 1.44 4.21 -1.98 -3.07 115.58 113.62 1wh3 h ASN 27 Ca -0.00 -0.35 -0.46 0.00 1.21 0.00 0.00 56.30 56.70 1wh3 h ASN 27 Cb 0.51 -0.16 0.22 0.00 -1.12 0.00 0.00 38.32 37.78 1wh3 h ASN 27 CO 0.00 1.09 -0.35 -1.20 -1.29 0.00 0.00 177.43 175.68 1wh3 n SER 28 N -3.85 -1.72 -4.87 5.81 7.64 -1.11 -4.73 113.62 110.79 1wh3 n SER 28 Ca -0.05 -0.04 -0.31 0.00 1.01 0.00 0.00 58.87 59.49 1wh3 n SER 28 Cb 0.71 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1wh3 n SER 28 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1wh3 s PHE 29 N -2.38 3.49 0.20 1.43 0.08 -1.26 -3.54 117.98 116.00 1wh3 s PHE 29 Ca 0.64 1.18 -0.12 0.00 0.12 0.00 0.00 56.93 58.75 1wh3 s PHE 29 Cb -0.21 -2.57 0.24 0.00 -0.57 0.00 0.00 43.02 39.91 1wh3 s PHE 29 CO 0.65 -0.27 1.70 0.82 -0.10 0.00 0.00 175.22 178.02 1wh3 h ILE 30 N 0.80 0.65 -0.98 0.64 1.08 -1.11 -0.65 117.51 117.95 1wh3 h ILE 30 Ca -0.47 -0.07 0.27 0.00 -0.39 0.00 0.00 64.86 64.20 1wh3 h ILE 30 Cb 1.19 0.42 -0.13 0.00 -3.07 0.00 0.00 36.82 35.23 1wh3 h ILE 30 CO 0.63 0.04 0.55 0.25 -0.69 0.00 0.00 178.15 178.92 1wh3 h LEU 31 N 0.21 0.55 -0.71 1.44 5.85 -1.75 1.00 115.31 121.91 1wh3 h LEU 31 Ca 0.28 0.16 0.13 0.00 0.84 0.00 0.00 57.88 59.29 1wh3 h LEU 31 Cb 0.41 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1wh3 h LEU 31 CO -0.39 0.00 0.25 1.23 -0.34 0.00 0.00 178.44 179.20 1wh3 h GLY 32 N 0.46 1.03 0.97 3.75 0.00 -1.43 -1.22 103.07 106.63 1wh3 h GLY 32 Ca 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 1wh3 h GLY 32 CO -0.53 -0.10 0.23 -2.00 0.00 0.00 0.00 176.54 174.14 1wh3 h LEU 33 N 0.40 0.63 -0.20 3.11 5.85 -0.87 -3.00 115.31 121.24 1wh3 h LEU 33 Ca 0.38 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1wh3 h LEU 33 Cb 0.57 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1wh3 h LEU 33 CO -0.40 0.59 -0.11 0.11 -0.34 0.00 0.00 178.44 178.29 1wh3 h LYS 34 N 0.63 -0.09 -0.92 1.25 1.57 -1.08 -2.18 116.57 115.75 1wh3 h LYS 34 Ca 0.16 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.18 1wh3 h LYS 34 Cb 0.13 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 32.29 1wh3 h LYS 34 CO -0.02 -0.06 -0.05 0.37 -0.57 0.00 0.00 179.45 179.12 1wh3 h GLN 35 N -0.09 0.03 -0.70 3.15 5.75 -1.20 1.20 115.11 123.24 1wh3 h GLN 35 Ca 0.11 -0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.68 1wh3 h GLN 35 Cb 0.26 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1wh3 h GLN 35 CO -0.26 0.02 0.46 1.96 -2.65 0.00 0.00 178.83 178.37 1wh3 h GLN 36 N 0.03 0.66 -0.07 1.69 4.20 -1.41 -0.57 115.11 119.63 1wh3 h GLN 36 Ca 0.52 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 59.04 1wh3 h GLN 36 Cb 0.96 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1wh3 h GLN 36 CO -0.88 0.44 -0.59 0.82 -0.67 0.00 0.00 178.83 177.95 1wh3 h ILE 37 N 0.68 1.38 -0.03 2.54 2.04 0.15 -2.06 117.51 122.21 1wh3 h ILE 37 Ca 0.31 -1.95 -0.15 0.00 1.00 0.00 0.00 64.86 64.07 1wh3 h ILE 37 Cb 0.34 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1wh3 h ILE 37 CO -0.10 0.58 -0.66 -0.08 0.00 0.00 0.00 178.15 177.88 1wh3 h GLU 38 N 0.18 0.15 0.00 2.37 4.81 0.09 0.21 114.58 122.38 1wh3 h GLU 38 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1wh3 h GLU 38 Cb 1.09 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1wh3 h GLU 38 CO 0.09 0.76 -0.27 -0.25 -0.73 0.00 0.00 179.01 178.61 1wh3 n ASP 39 N -3.80 0.60 -0.07 1.04 9.92 -0.47 -1.83 116.55 121.94 1wh3 n ASP 39 Ca -0.02 0.31 -0.08 0.00 -0.53 0.00 0.00 54.79 54.48 1wh3 n ASP 39 Cb 0.66 -0.30 -0.03 0.00 -0.64 0.00 0.00 41.12 40.81 1wh3 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wh3 n GLN 40 N -1.99 0.44 0.06 -1.24 1.13 -0.78 -4.68 117.38 110.31 1wh3 n GLN 40 Ca 0.05 0.18 -0.14 0.00 -1.94 0.00 0.00 57.00 55.15 1wh3 n GLN 40 Cb 0.41 -1.27 -0.04 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.83 0.46 0.00 -1.09 4.20 -0.78 -3.48 115.11 113.59 1wh3 h GLN 41 Ca 0.00 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1wh3 h GLN 41 Cb 0.83 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1wh3 h GLN 41 CO 0.00 1.12 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 1wh3 n GLY 42 N 0.90 2.91 3.76 3.46 0.00 -0.76 -5.04 105.19 110.42 1wh3 n GLY 42 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 4.37 0.48 0.99 0.20 -1.26 -4.90 118.68 118.57 1wh3 s LEU 43 Ca 0.00 2.80 -0.22 0.00 0.69 0.00 0.00 54.13 57.40 1wh3 s LEU 43 Cb 0.00 -3.64 -0.07 0.00 -0.43 0.00 0.00 46.19 42.05 1wh3 s LEU 43 CO 0.00 -0.75 1.16 -2.16 -0.29 0.00 0.00 176.35 174.31 1wh3 s PRO 44 N -0.94 3.67 0.56 0.98 0.04 -1.26 -4.05 135.00 134.00 1wh3 s PRO 44 Ca 0.57 1.74 0.32 0.00 0.04 0.00 0.00 61.00 63.67 1wh3 s PRO 44 Cb -0.44 -2.31 1.65 0.00 0.04 0.00 0.00 34.50 33.44 1wh3 s PRO 44 CO 0.49 -0.62 2.12 0.87 0.04 0.00 0.00 177.00 179.90 1wh3 h LYS 45 N 1.86 0.00 0.00 4.56 1.57 -1.93 -1.22 116.57 121.41 1wh3 h LYS 45 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1wh3 h LYS 45 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1wh3 h LYS 45 CO 0.59 0.07 0.00 0.36 -0.57 0.00 0.00 179.45 179.90 1wh3 n LYS 46 N -3.40 0.80 0.00 3.15 2.85 -1.26 -3.53 118.16 116.77 1wh3 n LYS 46 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1wh3 n LYS 46 Cb 0.22 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 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 -0.68 0.25 -2.28 -1.58 6.02 -0.56 -4.93 117.38 113.61 1wh3 n GLN 47 Ca 0.07 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.68 1wh3 n GLN 47 Cb 0.03 -0.69 -0.02 0.00 1.02 0.00 0.00 30.24 30.58 1wh3 n GLN 47 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1wh3 s GLN 48 N -1.38 4.05 -0.07 -1.09 -2.07 -0.62 0.89 119.66 119.37 1wh3 s GLN 48 Ca 0.00 1.85 -0.03 0.00 -1.82 0.00 0.00 55.36 55.37 1wh3 s GLN 48 Cb 0.00 -2.68 0.04 0.00 -1.09 0.00 0.00 33.01 29.28 1wh3 s GLN 48 CO 0.00 -0.33 0.15 -1.14 -1.32 0.00 0.00 175.29 172.65 1wh3 s GLN 49 N -2.30 0.06 -0.12 9.60 0.74 0.02 -4.85 119.66 122.82 1wh3 s GLN 49 Ca 0.57 0.45 -0.04 0.00 0.05 0.00 0.00 55.36 56.39 1wh3 s GLN 49 Cb -0.31 -0.22 -0.03 0.00 1.10 0.00 0.00 33.01 33.54 1wh3 s GLN 49 CO 0.39 -0.23 0.03 -0.51 -0.55 0.00 0.00 175.29 174.42 1wh3 s LEU 50 N 1.64 3.68 0.18 3.68 1.43 -1.26 -1.43 118.68 126.61 1wh3 s LEU 50 Ca -0.04 0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1wh3 s LEU 50 Cb -0.12 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1wh3 s LEU 50 CO -0.06 0.31 -0.15 -1.61 0.23 0.00 0.00 176.35 175.07 1wh3 s GLU 51 N -0.48 1.27 -0.21 1.70 2.02 -0.31 -2.72 118.70 119.97 1wh3 s GLU 51 Ca 0.09 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.55 1wh3 s GLU 51 Cb -0.12 -1.13 0.10 0.00 0.10 0.00 0.00 34.13 33.08 1wh3 s GLU 51 CO 0.02 0.20 0.23 0.12 0.02 0.00 0.00 175.26 175.85 1wh3 s PHE 52 N -2.64 -0.29 -1.05 1.61 5.36 -1.08 -2.53 117.98 117.35 1wh3 s PHE 52 Ca 0.19 0.21 -0.04 0.00 -0.96 0.00 0.00 56.93 56.33 1wh3 s PHE 52 Cb -0.02 -0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 1wh3 s PHE 52 CO 0.06 -0.62 0.90 1.04 -1.46 0.00 0.00 175.22 175.14 1wh3 n GLN 53 N 5.32 -6.02 -3.12 10.12 3.00 -1.26 -3.12 117.38 122.30 1wh3 n GLN 53 Ca -0.05 0.69 -0.14 0.00 -0.01 0.00 0.00 57.00 57.49 1wh3 n GLN 53 Cb 0.49 -5.27 0.06 0.00 0.00 0.00 0.00 30.24 25.52 1wh3 n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wh3 n GLY 54 N -1.43 -0.11 3.10 1.08 0.00 -1.26 -5.04 105.19 101.53 1wh3 n GLY 54 Ca -0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1wh3 n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh3 s GLN 55 N -5.37 0.65 -0.38 1.61 -0.21 -1.18 -5.13 119.66 109.64 1wh3 s GLN 55 Ca 0.18 -1.23 -0.08 0.00 0.02 0.00 0.00 55.36 54.25 1wh3 s GLN 55 Cb -0.08 0.13 0.06 0.00 1.00 0.00 0.00 33.01 34.12 1wh3 s GLN 55 CO 0.51 -0.09 0.18 0.08 -2.12 0.00 0.00 175.29 173.85 1wh3 s VAL 56 N -3.83 3.99 0.17 1.09 1.01 -1.26 -2.64 120.40 118.93 1wh3 s VAL 56 Ca 0.08 -1.29 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 1wh3 s VAL 56 Cb 0.07 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1wh3 s VAL 56 CO -0.09 -0.36 1.38 -0.76 0.00 0.00 0.00 175.10 175.28 1wh3 s LEU 57 N 1.40 4.39 0.00 3.92 1.43 -1.10 -5.02 118.68 123.70 1wh3 s LEU 57 Ca 0.01 2.43 -0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1wh3 s LEU 57 Cb -0.21 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.50 1wh3 s LEU 57 CO 0.02 -0.62 0.61 0.00 0.23 0.00 0.00 176.35 176.59 1wh3 n GLN 58 N 3.17 -0.28 -0.12 1.70 1.13 -1.26 -4.83 117.38 116.89 1wh3 n GLN 58 Ca 0.09 -1.19 -0.17 0.00 -1.94 0.00 0.00 57.00 53.79 1wh3 n GLN 58 Cb 0.42 -0.55 -0.13 0.00 0.11 0.00 0.00 30.24 30.10 1wh3 n GLN 58 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1wh3 n ASP 59 N -3.23 1.73 0.21 1.08 5.75 -1.26 -4.33 116.55 116.49 1wh3 n ASP 59 Ca 0.08 -0.12 0.13 0.00 -0.01 0.00 0.00 54.79 54.88 1wh3 n ASP 59 Cb 0.30 -0.23 0.27 0.00 -1.03 0.00 0.00 41.12 40.42 1wh3 n ASP 59 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1wh3 h TRP 60 N 0.00 0.00 -3.87 2.11 0.09 -1.98 -3.23 115.95 109.07 1wh3 h TRP 60 Ca -0.57 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 57.92 1wh3 h TRP 60 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.19 1wh3 h TRP 60 CO 0.03 0.00 0.40 -0.51 0.09 0.00 0.00 178.44 178.45 1wh3 s LEU 61 N -6.00 4.37 0.00 0.11 1.43 -1.26 -4.83 118.68 112.49 1wh3 s LEU 61 Ca 0.07 2.02 -0.06 0.00 -1.03 0.00 0.00 54.13 55.13 1wh3 s LEU 61 Cb 0.06 -3.92 0.15 0.00 0.03 0.00 0.00 46.19 42.51 1wh3 s LEU 61 CO 0.64 -0.19 0.93 0.61 0.23 0.00 0.00 176.35 178.57 1wh3 n GLY 62 N 0.78 -0.18 0.09 -3.19 0.00 -1.26 -0.93 105.19 100.49 1wh3 n GLY 62 Ca 0.02 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.11 1wh3 n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wh3 h LEU 63 N 0.00 0.00 0.00 0.99 4.07 -1.58 -3.29 115.31 115.50 1wh3 h LEU 63 Ca -0.31 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.60 1wh3 h LEU 63 Cb 0.99 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1wh3 h LEU 63 CO 0.28 0.83 -0.56 1.23 -1.08 0.00 0.00 178.44 179.13 1wh3 h GLY 64 N 3.24 0.00 0.71 0.83 0.00 -1.83 -2.21 103.07 103.80 1wh3 h GLY 64 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1wh3 h GLY 64 CO 0.10 0.00 0.28 -2.22 0.00 0.00 0.00 176.54 174.70 1wh3 h ILE 65 N 0.00 0.96 0.12 2.60 1.08 -1.90 -2.72 117.51 117.65 1wh3 h ILE 65 Ca -0.02 -0.19 -0.28 0.00 -0.39 0.00 0.00 64.86 63.98 1wh3 h ILE 65 Cb 1.20 0.36 0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1wh3 h ILE 65 CO 0.03 0.10 -1.23 1.88 -0.69 0.00 0.00 178.15 178.24 1wh3 h TYR 66 N 0.54 0.76 0.00 1.37 0.05 -1.72 -3.48 116.97 114.49 1wh3 h TYR 66 Ca 0.24 -0.50 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1wh3 h TYR 66 Cb 0.15 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1wh3 h TYR 66 CO -0.10 1.36 0.00 0.41 -1.05 0.00 0.00 178.16 178.79 1wh3 n GLY 67 N 1.40 1.86 3.72 3.88 0.00 -1.03 -5.10 105.19 109.93 1wh3 n GLY 67 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.34 0.46 -0.61 1.01 -0.84 -5.02 121.20 117.54 1wh3 s ILE 68 Ca 0.00 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.70 1wh3 s ILE 68 Cb 0.00 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1wh3 s ILE 68 CO 0.00 0.09 0.28 0.00 0.00 0.00 0.00 174.94 175.31 1wh3 s GLN 69 N 0.90 2.30 0.63 2.79 -2.07 -1.26 -4.71 119.66 118.24 1wh3 s GLN 69 Ca 0.63 -1.86 -0.17 0.00 -1.82 0.00 0.00 55.36 52.14 1wh3 s GLN 69 Cb -0.36 -2.07 -0.02 0.00 -1.09 0.00 0.00 33.01 29.47 1wh3 s GLN 69 CO 0.31 -0.29 1.13 0.16 -1.32 0.00 0.00 175.29 175.28 1wh3 s ASP 70 N -4.06 5.21 -1.20 12.60 -4.77 -1.26 -3.48 116.67 119.71 1wh3 s ASP 70 Ca 0.38 2.11 -0.07 0.00 -3.30 0.00 0.00 52.55 51.68 1wh3 s ASP 70 Cb 0.00 -2.57 0.01 0.00 -1.09 0.00 0.00 42.92 39.28 1wh3 s ASP 70 CO 0.22 -1.56 0.92 -0.24 0.70 0.00 0.00 175.17 175.21 1wh3 n SER 71 N -2.05 -5.72 -4.97 2.11 2.88 0.88 -4.96 113.62 101.79 1wh3 n SER 71 Ca 0.11 -0.42 -0.18 0.00 -1.33 0.00 0.00 58.87 57.05 1wh3 n SER 71 Cb 0.51 -4.37 -0.00 0.00 -0.75 0.00 0.00 64.21 59.60 1wh3 n SER 71 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wh3 s ASP 72 N -3.17 5.51 -0.19 -3.46 1.11 -1.23 -4.95 116.67 110.28 1wh3 s ASP 72 Ca 0.46 -0.49 -0.01 0.00 0.18 0.00 0.00 52.55 52.69 1wh3 s ASP 72 Cb -0.20 -0.69 0.01 0.00 1.07 0.00 0.00 42.92 43.11 1wh3 s ASP 72 CO 0.56 -0.69 -0.14 -0.89 1.18 0.00 0.00 175.17 175.19 1wh3 s THR 73 N -2.37 2.55 -0.15 -1.27 2.01 -1.26 -1.32 115.64 113.83 1wh3 s THR 73 Ca 0.52 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1wh3 s THR 73 Cb -0.08 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1wh3 s THR 73 CO 0.31 0.50 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.96 1wh3 s LEU 74 N 1.35 3.34 -0.21 4.42 1.43 0.06 -4.94 118.68 124.13 1wh3 s LEU 74 Ca 0.05 -0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 1wh3 s LEU 74 Cb -0.13 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1wh3 s LEU 74 CO -0.09 0.19 0.78 -0.63 0.23 0.00 0.00 176.35 176.82 1wh3 s ILE 75 N 0.27 4.90 -0.15 -0.59 -1.09 -1.05 -1.21 121.20 122.27 1wh3 s ILE 75 Ca -0.02 1.49 -0.02 0.00 -2.23 0.00 0.00 60.65 59.87 1wh3 s ILE 75 Cb -0.14 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1wh3 s ILE 75 CO 0.03 0.00 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.44 1wh3 s LEU 76 N 2.41 3.00 0.02 2.97 2.96 -0.24 -1.17 118.68 128.64 1wh3 s LEU 76 Ca 0.34 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1wh3 s LEU 76 Cb -0.16 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1wh3 s LEU 76 CO 0.10 0.14 0.18 -0.55 -1.32 0.00 0.00 176.35 174.90 1wh3 s SER 77 N 0.50 0.00 0.39 3.68 0.15 -0.51 -2.38 113.70 115.53 1wh3 s SER 77 Ca -0.06 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.12 1wh3 s SER 77 Cb -0.15 0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 64.31 1wh3 s SER 77 CO 0.03 -0.46 0.98 -0.75 1.20 0.00 0.00 173.24 174.24 1wh3 s LYS 78 N -1.87 4.32 0.25 5.44 2.36 -1.26 -0.80 119.74 128.18 1wh3 s LYS 78 Ca -0.11 1.32 -0.31 0.00 -2.55 0.00 0.00 55.97 54.32 1wh3 s LYS 78 Cb -0.05 -2.50 -0.12 0.00 -1.05 0.00 0.00 37.83 34.12 1wh3 s LYS 78 CO -0.00 0.03 1.66 0.15 1.55 0.00 0.00 175.35 178.74 1wh3 s LYS 79 N -2.58 4.12 -0.55 4.03 -0.14 0.26 -4.89 119.74 119.98 1wh3 s LYS 79 Ca 0.57 2.59 -0.00 0.00 -1.36 0.00 0.00 55.97 57.77 1wh3 s LYS 79 Cb -0.16 -3.05 0.14 0.00 -1.68 0.00 0.00 37.83 33.08 1wh3 s LYS 79 CO 0.21 -0.69 0.33 0.21 -0.76 0.00 0.00 175.35 174.65 1wh3 s LYS 80 N 0.35 2.24 0.00 1.68 2.20 -1.26 -5.03 119.74 119.92 1wh3 s LYS 80 Ca 0.69 -2.46 0.00 0.00 -0.36 0.00 0.00 55.97 53.84 1wh3 s LYS 80 Cb -0.49 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1wh3 s LYS 80 CO 0.40 -1.13 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 1wh3 n GLY 81 N 3.49 1.96 3.45 5.54 0.00 -1.26 -5.10 105.19 113.27 1wh3 n GLY 81 Ca 0.06 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 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 4.53 0.03 1.61 0.15 -1.26 -5.11 113.70 113.65 1wh3 s SER 82 Ca 0.00 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1wh3 s SER 82 Cb 0.00 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1wh3 s SER 82 CO 0.00 0.16 -0.07 -0.83 1.20 0.00 0.00 173.24 173.70 1wh3 s GLY 83 N 0.39 0.45 0.00 9.45 0.00 -1.26 -5.02 107.32 111.34 1wh3 s GLY 83 Ca -0.06 -0.65 0.15 0.00 0.00 0.00 0.00 44.72 44.16 1wh3 s GLY 83 CO 0.04 -0.69 1.37 -1.55 0.00 0.00 0.00 173.10 172.27 1wh3 n PRO 84 N 1.77 0.37 -1.36 2.90 -0.04 -1.26 -4.86 135.00 132.52 1wh3 n PRO 84 Ca -0.21 0.06 -0.55 0.00 -0.04 0.00 0.00 63.50 62.77 1wh3 n PRO 84 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 1wh3 n PRO 84 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh3 n SER 85 N -1.13 0.92 -3.97 3.54 7.64 -1.26 -4.88 113.62 114.48 1wh3 n SER 85 Ca 0.10 0.89 -0.31 0.00 1.01 0.00 0.00 58.87 60.56 1wh3 n SER 85 Cb 0.08 -0.74 -0.14 0.00 -1.01 0.00 0.00 64.21 62.41 1wh3 n SER 85 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh3 s SER 86 N 3.13 4.44 0.00 6.43 0.01 -1.26 -5.21 113.70 121.25 1wh3 s SER 86 Ca 0.91 -2.89 0.00 0.00 1.31 0.00 0.00 55.95 55.27 1wh3 s SER 86 Cb -1.25 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1wh3 s SER 86 CO 0.65 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.65