#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh3 n SER 2 N 0.00 1.41 -0.04 1.61 7.64 -1.26 -4.85 113.62 118.12 1wh3 n SER 2 Ca 0.00 0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 1wh3 n SER 2 Cb 0.00 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.60 1wh3 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wh3 h SER 3 N -0.44 -0.03 -4.75 6.43 0.87 -2.14 -3.50 113.55 110.01 1wh3 h SER 3 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1wh3 h SER 3 Cb 0.44 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1wh3 h SER 3 CO 0.00 0.78 -0.52 0.61 -0.53 0.00 0.00 176.83 177.16 1wh3 n GLY 4 N 1.38 -2.14 3.42 5.77 0.00 -1.26 -4.92 105.19 107.43 1wh3 n GLY 4 Ca -0.08 0.75 -0.45 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.93 6.62 0.31 1.61 0.01 -1.26 -4.96 113.70 114.11 1wh3 s SER 5 Ca 0.13 -2.12 -0.18 0.00 1.31 0.00 0.00 55.95 55.09 1wh3 s SER 5 Cb -0.04 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.87 1wh3 s SER 5 CO 0.61 -0.97 0.72 -0.94 0.41 0.00 0.00 173.24 173.07 1wh3 s SER 6 N 3.32 -0.14 0.00 2.44 1.04 -1.26 -5.17 113.70 113.93 1wh3 s SER 6 Ca 0.28 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wh3 s SER 6 Cb -0.07 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1wh3 s SER 6 CO -0.08 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.31 1wh3 n GLY 7 N -0.48 0.40 3.43 7.32 0.00 -1.26 -4.67 105.19 109.92 1wh3 n GLY 7 Ca -0.05 -2.27 -0.28 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.35 2.41 -0.27 -0.61 -4.36 0.21 -4.94 121.20 113.30 1wh3 s ILE 8 Ca 0.00 -1.89 -0.07 0.00 -0.26 0.00 0.00 60.65 58.43 1wh3 s ILE 8 Cb 0.00 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1wh3 s ILE 8 CO 0.00 -0.04 0.07 -1.58 0.24 0.00 0.00 174.94 173.63 1wh3 s GLN 9 N -2.46 3.42 0.10 0.37 0.74 -1.26 -2.36 119.66 118.22 1wh3 s GLN 9 Ca 0.19 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 55.05 1wh3 s GLN 9 Cb -0.09 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 1wh3 s GLN 9 CO 0.09 -0.29 -0.16 0.14 -0.55 0.00 0.00 175.29 174.52 1wh3 s VAL 10 N 1.56 2.98 -0.35 1.34 -7.23 -1.03 0.82 120.40 118.48 1wh3 s VAL 10 Ca 0.05 -1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 1wh3 s VAL 10 Cb -0.16 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1wh3 s VAL 10 CO 0.03 0.14 0.19 -0.36 -0.31 0.00 0.00 175.10 174.79 1wh3 s PHE 11 N -1.13 3.22 -0.49 2.82 0.40 0.01 -0.94 117.98 121.87 1wh3 s PHE 11 Ca 0.18 -0.80 -0.22 0.00 -0.60 0.00 0.00 56.93 55.49 1wh3 s PHE 11 Cb -0.11 -2.42 0.04 0.00 0.51 0.00 0.00 43.02 41.04 1wh3 s PHE 11 CO 0.10 -0.58 0.79 0.08 0.70 0.00 0.00 175.22 176.32 1wh3 s VAL 12 N 1.58 4.62 -0.09 -0.44 1.01 -0.32 -0.29 120.40 126.48 1wh3 s VAL 12 Ca 0.03 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 1wh3 s VAL 12 Cb -0.18 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1wh3 s VAL 12 CO 0.07 -0.85 0.84 -0.75 0.00 0.00 0.00 175.10 174.40 1wh3 s LYS 13 N 3.33 4.41 0.16 2.72 2.20 0.58 -2.33 119.74 130.81 1wh3 s LYS 13 Ca 0.26 1.09 -0.08 0.00 -0.36 0.00 0.00 55.97 56.88 1wh3 s LYS 13 Cb -0.14 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1wh3 s LYS 13 CO 0.19 -0.14 0.46 0.54 -0.36 0.00 0.00 175.35 176.04 1wh3 s ASN 14 N 1.01 6.60 0.00 1.43 2.20 -0.92 -1.54 114.94 123.71 1wh3 s ASN 14 Ca 0.42 0.79 0.13 0.00 -0.94 0.00 0.00 52.86 53.26 1wh3 s ASN 14 Cb -0.18 -2.17 0.75 0.00 -2.00 0.00 0.00 41.25 37.64 1wh3 s ASN 14 CO 0.18 0.04 1.18 -0.81 -2.94 0.00 0.00 177.10 174.74 1wh3 n PRO 15 N 0.24 0.49 -0.11 3.55 -0.04 -1.26 -2.52 135.00 135.36 1wh3 n PRO 15 Ca -0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1wh3 n PRO 15 Cb 0.52 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.46 1wh3 n PRO 15 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wh3 n ASP 16 N -0.90 1.55 0.00 3.54 -0.08 -1.26 -5.07 116.55 114.33 1wh3 n ASP 16 Ca 0.09 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1wh3 n ASP 16 Cb 0.04 0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1wh3 n ASP 16 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wh3 n GLY 17 N 2.19 2.88 0.00 0.27 0.00 -1.05 -5.18 105.19 104.30 1wh3 n GLY 17 Ca -0.38 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 4.05 3.41 -0.02 0.00 -1.26 -4.92 105.19 106.45 1wh3 n GLY 18 Ca 0.00 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1wh3 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh3 s SER 19 N 0.00 3.62 0.09 1.61 0.15 -1.26 -2.17 113.70 115.74 1wh3 s SER 19 Ca 0.00 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.37 1wh3 s SER 19 Cb 0.00 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1wh3 s SER 19 CO 0.00 0.31 -0.11 -0.31 1.20 0.00 0.00 173.24 174.34 1wh3 s TYR 20 N -0.73 2.73 -0.44 3.44 2.02 -0.98 -4.88 117.35 118.50 1wh3 s TYR 20 Ca 0.12 -0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.47 1wh3 s TYR 20 Cb -0.10 -1.44 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1wh3 s TYR 20 CO 0.01 0.41 0.54 0.00 -1.57 0.00 0.00 175.55 174.94 1wh3 s ALA 21 N -1.18 3.39 0.29 3.71 0.00 -1.26 -1.17 121.76 125.53 1wh3 s ALA 21 Ca 0.20 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1wh3 s ALA 21 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1wh3 s ALA 21 CO 0.12 -1.72 0.42 0.71 0.00 0.00 0.00 175.76 175.29 1wh3 s TYR 22 N 2.47 3.31 -0.10 0.00 1.51 -0.11 -4.94 117.35 119.49 1wh3 s TYR 22 Ca 0.17 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 1wh3 s TYR 22 Cb -0.16 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1wh3 s TYR 22 CO 0.16 0.23 -0.14 0.00 -1.11 0.00 0.00 175.55 174.69 1wh3 s ALA 23 N -2.08 1.55 -0.12 3.71 0.00 -1.26 -2.47 121.76 121.09 1wh3 s ALA 23 Ca 0.39 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 1wh3 s ALA 23 Cb -0.09 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.32 1wh3 s ALA 23 CO 0.30 -0.07 0.72 -1.50 0.00 0.00 0.00 175.76 175.21 1wh3 s ILE 24 N 1.00 0.00 0.34 0.00 2.07 -0.99 -5.00 121.20 118.61 1wh3 s ILE 24 Ca -0.07 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.91 1wh3 s ILE 24 Cb -0.15 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.35 1wh3 s ILE 24 CO -0.01 0.00 1.00 0.20 -1.91 0.00 0.00 174.94 174.22 1wh3 s ASN 25 N -0.78 7.16 0.53 4.50 -0.87 -1.26 -0.62 114.94 123.61 1wh3 s ASN 25 Ca -0.07 1.97 0.31 0.00 -1.57 0.00 0.00 52.86 53.50 1wh3 s ASN 25 Cb -0.01 -2.59 1.30 0.00 -0.02 0.00 0.00 41.25 39.93 1wh3 s ASN 25 CO 0.07 -0.20 1.97 1.55 -2.57 0.00 0.00 177.10 177.92 1wh3 h PRO 26 N 3.11 0.00 0.00 -0.60 0.13 -1.94 -2.80 132.00 129.91 1wh3 h PRO 26 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 1wh3 h PRO 26 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1wh3 h PRO 26 CO 0.65 0.06 -0.70 -0.97 -0.23 0.00 0.00 178.00 176.81 1wh3 h ASN 27 N 0.00 0.00 -4.12 1.44 -1.24 -1.99 -3.26 115.58 106.41 1wh3 h ASN 27 Ca -0.00 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.52 1wh3 h ASN 27 Cb 0.54 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.65 1wh3 h ASN 27 CO 0.01 0.70 0.40 -0.44 -1.29 0.00 0.00 177.43 176.81 1wh3 s SER 28 N -6.72 5.82 1.20 1.15 0.01 -1.06 -4.85 113.70 109.26 1wh3 s SER 28 Ca -0.00 2.00 -0.18 0.00 1.31 0.00 0.00 55.95 59.09 1wh3 s SER 28 Cb 0.11 -2.56 0.23 0.00 0.21 0.00 0.00 66.02 64.01 1wh3 s SER 28 CO 0.77 -1.14 0.51 0.49 0.41 0.00 0.00 173.24 174.28 1wh3 n PHE 29 N -1.52 -2.14 0.06 2.43 3.72 -1.26 -3.72 117.46 115.03 1wh3 n PHE 29 Ca 0.10 -0.19 -0.20 0.00 -0.05 0.00 0.00 57.45 57.11 1wh3 n PHE 29 Cb 0.52 -1.50 -0.10 0.00 -0.94 0.00 0.00 39.48 37.45 1wh3 n PHE 29 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1wh3 h ILE 30 N -2.73 1.29 -0.64 4.37 1.08 -0.06 -3.30 117.51 117.53 1wh3 h ILE 30 Ca -0.47 -2.32 0.13 0.00 -0.39 0.00 0.00 64.86 61.81 1wh3 h ILE 30 Cb 1.23 2.45 -0.10 0.00 -3.07 0.00 0.00 36.82 37.33 1wh3 h ILE 30 CO 0.33 0.71 0.08 0.25 -0.69 0.00 0.00 178.15 178.84 1wh3 h LEU 31 N 0.35 -0.13 -1.66 1.44 6.46 -1.54 0.10 115.31 120.34 1wh3 h LEU 31 Ca -0.14 0.14 0.39 0.00 -0.12 0.00 0.00 57.88 58.16 1wh3 h LEU 31 Cb 1.74 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.83 1wh3 h LEU 31 CO 0.21 -0.06 1.16 1.23 -0.62 0.00 0.00 178.44 180.36 1wh3 h GLY 32 N 0.19 0.00 0.85 3.75 0.00 -1.83 0.77 103.07 106.81 1wh3 h GLY 32 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 1wh3 h GLY 32 CO -0.49 0.00 -0.36 -2.00 0.00 0.00 0.00 176.54 173.69 1wh3 h LEU 33 N 0.00 0.58 -0.13 3.11 5.85 -0.99 -3.27 115.31 120.46 1wh3 h LEU 33 Ca 0.64 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1wh3 h LEU 33 Cb 2.96 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 43.81 1wh3 h LEU 33 CO -0.01 1.05 0.03 0.11 -0.34 0.00 0.00 178.44 179.28 1wh3 h LYS 34 N 0.15 0.22 -1.27 1.25 6.56 0.45 -2.82 116.57 121.11 1wh3 h LYS 34 Ca -0.00 -0.05 0.41 0.00 -1.06 0.00 0.00 60.65 59.95 1wh3 h LYS 34 Cb 0.96 -0.03 -0.13 0.00 -0.57 0.00 0.00 32.23 32.47 1wh3 h LYS 34 CO 0.08 0.38 0.81 0.37 -2.06 0.00 0.00 179.45 179.03 1wh3 h GLN 35 N 0.01 0.12 -0.06 3.15 5.75 -1.45 1.61 115.11 124.25 1wh3 h GLN 35 Ca 0.04 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.36 1wh3 h GLN 35 Cb 0.26 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1wh3 h GLN 35 CO 0.00 0.08 -0.72 1.96 -2.65 0.00 0.00 178.83 177.49 1wh3 h GLN 36 N 0.12 0.30 -0.01 1.69 4.20 -1.55 -1.81 115.11 118.05 1wh3 h GLN 36 Ca 0.80 -0.25 -0.20 0.00 0.06 0.00 0.00 58.65 59.06 1wh3 h GLN 36 Cb 2.43 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 30.25 1wh3 h GLN 36 CO -0.42 0.90 -0.84 0.82 -0.67 0.00 0.00 178.83 178.62 1wh3 h ILE 37 N 0.21 1.45 -0.04 2.54 2.04 0.23 -2.42 117.51 121.52 1wh3 h ILE 37 Ca -0.03 -2.47 -0.07 0.00 1.00 0.00 0.00 64.86 63.29 1wh3 h ILE 37 Cb 1.29 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1wh3 h ILE 37 CO 0.12 0.73 -0.27 -0.08 0.00 0.00 0.00 178.15 178.65 1wh3 h GLU 38 N 0.15 0.25 0.00 2.37 4.22 -0.67 0.34 114.58 121.25 1wh3 h GLU 38 Ca -0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 59.36 59.16 1wh3 h GLU 38 Cb 1.45 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1wh3 h GLU 38 CO 0.13 0.88 -0.08 0.22 -2.18 0.00 0.00 179.01 177.98 1wh3 h ASP 39 N -0.31 0.00 0.00 1.04 3.58 -1.41 1.42 116.42 120.74 1wh3 h ASP 39 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1wh3 h ASP 39 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1wh3 h ASP 39 CO 0.05 0.08 -0.61 0.00 -2.88 0.00 0.00 179.24 175.89 1wh3 n GLN 40 N -3.34 0.46 0.08 0.28 1.13 -0.91 -4.55 117.38 110.54 1wh3 n GLN 40 Ca -0.01 0.45 -0.09 0.00 -1.94 0.00 0.00 57.00 55.41 1wh3 n GLN 40 Cb 0.26 -1.61 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 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 -0.98 0.20 0.00 -1.09 4.20 -0.38 -3.48 115.11 113.58 1wh3 h GLN 41 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1wh3 h GLN 41 Cb 0.61 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1wh3 h GLN 41 CO 0.00 0.96 0.00 0.41 -0.67 0.00 0.00 178.83 179.53 1wh3 n GLY 42 N 0.90 3.12 3.76 3.46 0.00 0.48 -5.01 105.19 111.89 1wh3 n GLY 42 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 4.38 0.69 0.99 0.20 -1.24 -4.87 118.68 118.84 1wh3 s LEU 43 Ca 0.00 2.78 -0.14 0.00 0.69 0.00 0.00 54.13 57.46 1wh3 s LEU 43 Cb 0.00 -3.64 0.02 0.00 -0.43 0.00 0.00 46.19 42.14 1wh3 s LEU 43 CO 0.00 -0.72 1.10 -2.16 -0.29 0.00 0.00 176.35 174.29 1wh3 s PRO 44 N -1.05 2.63 0.43 0.98 0.04 -1.26 -3.94 135.00 132.84 1wh3 s PRO 44 Ca 0.56 1.32 0.24 0.00 0.04 0.00 0.00 61.00 63.16 1wh3 s PRO 44 Cb -0.43 -1.93 0.80 0.00 0.04 0.00 0.00 34.50 32.98 1wh3 s PRO 44 CO 0.50 -1.37 1.77 0.87 0.04 0.00 0.00 177.00 178.81 1wh3 h LYS 45 N -0.33 0.00 0.00 4.56 1.57 -1.94 -2.09 116.57 118.34 1wh3 h LYS 45 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1wh3 h LYS 45 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1wh3 h LYS 45 CO 0.53 0.23 0.00 0.36 -0.57 0.00 0.00 179.45 180.00 1wh3 n LYS 46 N -3.32 0.76 0.00 3.15 2.85 -1.26 -3.45 118.16 116.89 1wh3 n LYS 46 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1wh3 n LYS 46 Cb 0.47 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 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 -0.78 0.26 -2.47 -1.58 6.02 -1.04 -4.71 117.38 113.09 1wh3 n GLN 47 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1wh3 n GLN 47 Cb 0.05 -0.80 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 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 -1.60 4.10 -0.22 -1.09 -2.07 -0.82 -0.56 119.66 117.41 1wh3 s GLN 48 Ca 0.00 1.43 0.00 0.00 -1.82 0.00 0.00 55.36 54.97 1wh3 s GLN 48 Cb 0.00 -3.79 0.06 0.00 -1.09 0.00 0.00 33.01 28.18 1wh3 s GLN 48 CO 0.00 -0.87 -0.05 -1.14 -1.32 0.00 0.00 175.29 171.91 1wh3 s GLN 49 N 3.73 1.58 -0.04 9.60 0.74 -0.31 -4.85 119.66 130.11 1wh3 s GLN 49 Ca 0.53 -0.88 -0.19 0.00 0.05 0.00 0.00 55.36 54.88 1wh3 s GLN 49 Cb -0.18 -2.47 -0.05 0.00 1.10 0.00 0.00 33.01 31.41 1wh3 s GLN 49 CO 0.17 -0.56 0.53 -0.51 -0.55 0.00 0.00 175.29 174.37 1wh3 s LEU 50 N 1.46 4.38 -0.02 3.68 1.43 -1.26 -2.98 118.68 125.37 1wh3 s LEU 50 Ca -0.04 1.03 0.07 0.00 -1.03 0.00 0.00 54.13 54.16 1wh3 s LEU 50 Cb -0.18 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.22 1wh3 s LEU 50 CO -0.07 0.11 -0.24 -1.61 0.23 0.00 0.00 176.35 174.77 1wh3 s GLU 51 N -0.09 2.03 -0.10 1.70 2.02 -1.20 -3.19 118.70 119.87 1wh3 s GLU 51 Ca 0.28 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1wh3 s GLU 51 Cb -0.17 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.15 1wh3 s GLU 51 CO 0.14 0.49 -0.17 0.12 0.02 0.00 0.00 175.26 175.87 1wh3 s PHE 52 N -0.50 2.10 -1.29 1.61 5.36 -0.52 -3.77 117.98 120.96 1wh3 s PHE 52 Ca 0.07 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 55.10 1wh3 s PHE 52 Cb -0.10 -1.47 0.00 0.00 -0.34 0.00 0.00 43.02 41.11 1wh3 s PHE 52 CO -0.00 -0.45 0.00 1.04 -1.46 0.00 0.00 175.22 174.35 1wh3 n GLN 53 N 3.98 -1.86 -2.32 10.12 1.13 -1.26 -0.80 117.38 126.38 1wh3 n GLN 53 Ca -0.20 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1wh3 n GLN 53 Cb 0.52 -5.23 0.00 0.00 0.11 0.00 0.00 30.24 25.64 1wh3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wh3 n GLY 54 N -0.66 0.77 2.96 1.08 0.00 -1.26 -5.07 105.19 103.02 1wh3 n GLY 54 Ca -0.16 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.64 0.64 -0.52 1.61 -2.07 0.02 -5.11 119.66 109.60 1wh3 s GLN 55 Ca 0.00 -0.21 -0.27 0.00 -1.82 0.00 0.00 55.36 53.06 1wh3 s GLN 55 Cb 0.00 -0.63 0.03 0.00 -1.09 0.00 0.00 33.01 31.32 1wh3 s GLN 55 CO 0.00 0.08 1.08 0.08 -1.32 0.00 0.00 175.29 175.22 1wh3 s VAL 56 N 0.15 4.22 0.47 3.63 1.01 -1.26 -1.44 120.40 127.17 1wh3 s VAL 56 Ca -0.02 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 1wh3 s VAL 56 Cb -0.06 -4.60 -0.08 0.00 0.00 0.00 0.00 36.38 31.63 1wh3 s VAL 56 CO -0.00 -1.11 1.06 -0.76 0.00 0.00 0.00 175.10 174.29 1wh3 s LEU 57 N 4.41 3.91 0.00 3.92 1.43 -1.19 -5.03 118.68 126.12 1wh3 s LEU 57 Ca 0.41 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1wh3 s LEU 57 Cb -0.09 -4.46 0.09 0.00 0.03 0.00 0.00 46.19 41.76 1wh3 s LEU 57 CO 0.27 -0.79 0.65 0.00 0.23 0.00 0.00 176.35 176.72 1wh3 n GLN 58 N -0.79 0.21 -0.09 1.70 1.13 -1.26 -4.86 117.38 113.42 1wh3 n GLN 58 Ca 0.09 -1.87 -0.09 0.00 -1.94 0.00 0.00 57.00 53.19 1wh3 n GLN 58 Cb 0.51 -0.41 -0.14 0.00 0.11 0.00 0.00 30.24 30.32 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 -2.88 0.73 0.05 1.08 5.75 -1.26 -4.17 116.55 115.85 1wh3 n ASP 59 Ca 0.11 -0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.74 1wh3 n ASP 59 Cb 0.40 0.90 -0.14 0.00 -1.03 0.00 0.00 41.12 41.25 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 0.34 -3.05 2.11 0.09 -1.96 -2.09 115.95 111.39 1wh3 h TRP 60 Ca -0.48 -0.25 -0.45 0.00 0.09 0.00 0.00 58.89 57.81 1wh3 h TRP 60 Cb 2.07 -0.01 0.22 0.00 0.08 0.00 0.00 29.16 31.52 1wh3 h TRP 60 CO 0.00 1.30 -0.24 1.28 0.09 0.00 0.00 178.44 180.87 1wh3 n LEU 61 N -3.39 -1.52 -4.90 0.11 4.77 -1.26 -4.56 117.00 106.24 1wh3 n LEU 61 Ca -0.15 -0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.47 1wh3 n LEU 61 Cb 1.03 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1wh3 n LEU 61 CO 0.49 -3.24 0.06 -0.83 -1.33 0.00 0.00 177.39 172.54 1wh3 s GLY 62 N -2.28 2.16 0.13 -0.72 0.00 -1.26 0.46 107.32 105.79 1wh3 s GLY 62 Ca 0.66 -1.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.57 1wh3 s GLY 62 CO 0.65 -1.77 1.31 1.41 0.00 0.00 0.00 173.10 174.71 1wh3 h LEU 63 N 0.84 0.66 -0.34 0.66 4.07 -1.64 -3.22 115.31 116.34 1wh3 h LEU 63 Ca -0.39 -0.49 -0.09 0.00 0.08 0.00 0.00 57.88 56.99 1wh3 h LEU 63 Cb 1.28 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1wh3 h LEU 63 CO 0.55 1.28 -0.44 1.23 -1.08 0.00 0.00 178.44 179.97 1wh3 h GLY 64 N 0.99 0.00 0.67 0.83 0.00 -1.87 -2.39 103.07 101.31 1wh3 h GLY 64 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.30 1wh3 h GLY 64 CO 0.16 0.00 0.16 -2.22 0.00 0.00 0.00 176.54 174.64 1wh3 h ILE 65 N 0.00 0.90 0.01 2.60 1.08 -1.89 -3.03 117.51 117.17 1wh3 h ILE 65 Ca -0.00 -0.11 -0.09 0.00 -0.39 0.00 0.00 64.86 64.26 1wh3 h ILE 65 Cb 1.20 0.53 0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1wh3 h ILE 65 CO 0.06 0.06 -0.35 1.88 -0.69 0.00 0.00 178.15 179.10 1wh3 h TYR 66 N 0.33 0.34 0.00 1.37 0.05 -1.66 -3.49 116.97 113.91 1wh3 h TYR 66 Ca 0.19 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wh3 h TYR 66 Cb 0.16 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1wh3 h TYR 66 CO -0.14 1.02 0.00 0.41 -1.05 0.00 0.00 178.16 178.40 1wh3 n GLY 67 N 1.14 1.72 3.77 3.88 0.00 -1.12 -5.13 105.19 109.44 1wh3 n GLY 67 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.72 3.22 0.39 -0.61 1.01 -0.91 -5.03 121.20 117.55 1wh3 s ILE 68 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.23 1wh3 s ILE 68 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1wh3 s ILE 68 CO 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 174.94 174.69 1wh3 s GLN 69 N -4.18 1.87 0.94 2.79 -2.07 -1.26 -4.80 119.66 112.96 1wh3 s GLN 69 Ca 0.67 -2.13 -0.15 0.00 -1.82 0.00 0.00 55.36 51.93 1wh3 s GLN 69 Cb -0.20 -0.63 0.18 0.00 -1.09 0.00 0.00 33.01 31.27 1wh3 s GLN 69 CO 0.43 -0.44 1.28 0.16 -1.32 0.00 0.00 175.29 175.40 1wh3 s ASP 70 N -3.58 3.32 -0.10 12.60 1.47 -1.26 -3.82 116.67 125.29 1wh3 s ASP 70 Ca 0.26 0.41 0.00 0.00 1.18 0.00 0.00 52.55 54.40 1wh3 s ASP 70 Cb 0.04 -0.58 0.00 0.00 -0.34 0.00 0.00 42.92 42.04 1wh3 s ASP 70 CO 0.15 -2.62 0.00 -1.54 0.68 0.00 0.00 175.17 171.84 1wh3 n SER 71 N -3.72 -0.85 -4.93 2.11 3.41 0.24 -4.86 113.62 105.02 1wh3 n SER 71 Ca 0.13 0.29 -0.25 0.00 -0.26 0.00 0.00 58.87 58.78 1wh3 n SER 71 Cb 0.60 -1.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.58 1wh3 n SER 71 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wh3 s ASP 72 N -1.62 5.46 -0.18 4.04 -1.08 -1.24 -4.88 116.67 117.16 1wh3 s ASP 72 Ca 0.00 0.48 -0.01 0.00 -0.52 0.00 0.00 52.55 52.50 1wh3 s ASP 72 Cb 0.00 -1.45 -0.00 0.00 -1.46 0.00 0.00 42.92 40.01 1wh3 s ASP 72 CO 0.00 -1.10 -0.11 -0.89 0.52 0.00 0.00 175.17 173.59 1wh3 s THR 73 N -2.92 2.93 -0.08 1.71 2.01 -1.26 -0.81 115.64 117.22 1wh3 s THR 73 Ca 0.54 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1wh3 s THR 73 Cb -0.10 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1wh3 s THR 73 CO 0.43 0.49 -0.08 -0.76 -0.69 0.00 0.00 174.62 174.00 1wh3 s LEU 74 N 1.04 3.10 0.12 4.42 1.43 0.61 -4.96 118.68 124.44 1wh3 s LEU 74 Ca -0.00 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1wh3 s LEU 74 Cb -0.15 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 1wh3 s LEU 74 CO -0.02 0.34 0.51 -0.63 0.23 0.00 0.00 176.35 176.77 1wh3 s ILE 75 N -0.65 4.92 -0.08 -0.59 -1.09 -1.25 -0.31 121.20 122.15 1wh3 s ILE 75 Ca 0.10 0.75 0.04 0.00 -2.23 0.00 0.00 60.65 59.31 1wh3 s ILE 75 Cb -0.11 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1wh3 s ILE 75 CO 0.02 0.28 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.58 1wh3 s LEU 76 N -1.88 2.36 -0.07 2.97 2.96 -0.59 -3.24 118.68 121.19 1wh3 s LEU 76 Ca 0.36 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1wh3 s LEU 76 Cb -0.15 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1wh3 s LEU 76 CO 0.19 0.23 0.17 -0.94 -1.32 0.00 0.00 176.35 174.68 1wh3 s SER 77 N -0.06 -0.17 0.31 3.68 1.04 -1.16 -4.04 113.70 113.30 1wh3 s SER 77 Ca -0.05 0.34 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 1wh3 s SER 77 Cb -0.14 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 1wh3 s SER 77 CO 0.04 -0.08 0.76 -0.54 0.98 0.00 0.00 173.24 174.40 1wh3 s LYS 78 N 0.30 4.10 -0.15 4.02 1.02 -1.25 -1.16 119.74 126.61 1wh3 s LYS 78 Ca -0.02 0.77 -0.27 0.00 0.02 0.00 0.00 55.97 56.47 1wh3 s LYS 78 Cb -0.03 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 1wh3 s LYS 78 CO -0.01 0.20 0.92 0.15 -0.92 0.00 0.00 175.35 175.69 1wh3 s LYS 79 N -2.74 4.34 -0.21 1.68 -0.14 0.28 -4.95 119.74 118.00 1wh3 s LYS 79 Ca 0.52 1.19 -0.40 0.00 -1.36 0.00 0.00 55.97 55.92 1wh3 s LYS 79 Cb -0.12 -3.57 -0.17 0.00 -1.68 0.00 0.00 37.83 32.29 1wh3 s LYS 79 CO 0.18 -0.36 1.57 1.17 -0.76 0.00 0.00 175.35 177.15 1wh3 n LYS 80 N 5.28 0.87 0.00 1.68 0.00 -1.26 -4.58 118.16 120.14 1wh3 n LYS 80 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1wh3 n LYS 80 Cb 0.48 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.57 1wh3 n LYS 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wh3 n GLY 81 N 3.54 2.71 3.98 3.14 0.00 -1.26 -4.75 105.19 112.55 1wh3 n GLY 81 Ca 0.25 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1wh3 n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh3 n SER 82 N 1.63 -0.67 0.00 1.61 2.88 -1.26 -4.86 113.62 112.95 1wh3 n SER 82 Ca 0.00 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 1wh3 n SER 82 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 1wh3 n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh3 n GLY 83 N -1.44 0.70 3.72 0.46 0.00 -1.26 -4.93 105.19 102.43 1wh3 n GLY 83 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.21 -0.02 1.61 0.04 -1.26 -5.03 135.00 131.55 1wh3 s PRO 84 Ca 0.00 0.80 -0.14 0.00 0.04 0.00 0.00 61.00 61.70 1wh3 s PRO 84 Cb 0.00 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.76 1wh3 s PRO 84 CO 0.00 -2.27 0.30 -1.54 0.04 0.00 0.00 177.00 173.53 1wh3 s SER 85 N -3.43 -0.18 -0.02 6.66 1.04 -1.26 -5.17 113.70 111.34 1wh3 s SER 85 Ca 0.64 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.13 1wh3 s SER 85 Cb -0.18 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1wh3 s SER 85 CO 0.57 -0.44 0.05 -0.94 0.98 0.00 0.00 173.24 173.47 1wh3 s SER 86 N -1.30 -0.02 0.00 7.02 1.04 -1.26 -5.31 113.70 113.87 1wh3 s SER 86 Ca -0.13 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1wh3 s SER 86 Cb -0.05 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1wh3 s SER 86 CO 0.04 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.79