#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 3.10 0.06 1.61 0.15 -1.26 -5.10 113.70 112.27 1wh3 s SER 2 Ca 0.00 -0.88 -0.31 0.00 0.70 0.00 0.00 55.95 55.47 1wh3 s SER 2 Cb 0.00 -0.21 -0.08 0.00 -1.71 0.00 0.00 66.02 64.01 1wh3 s SER 2 CO 0.00 0.04 1.72 -0.94 1.20 0.00 0.00 173.24 175.27 1wh3 s SER 3 N -2.72 6.56 0.00 5.45 1.04 -1.26 -3.71 113.70 119.05 1wh3 s SER 3 Ca 0.19 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1wh3 s SER 3 Cb -0.07 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1wh3 s SER 3 CO 0.09 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1wh3 n GLY 4 N 4.11 0.72 3.66 7.32 0.00 -1.26 -4.99 105.19 114.75 1wh3 n GLY 4 Ca 0.17 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.50 6.51 0.51 1.61 0.01 -1.24 -4.98 113.70 113.62 1wh3 s SER 5 Ca 0.00 2.53 0.01 0.00 1.31 0.00 0.00 55.95 59.80 1wh3 s SER 5 Cb 0.00 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wh3 s SER 5 CO 0.00 -1.02 0.02 -0.44 0.41 0.00 0.00 173.24 172.21 1wh3 s SER 6 N 4.13 4.00 0.02 2.44 0.01 -1.26 -5.10 113.70 117.94 1wh3 s SER 6 Ca 0.84 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1wh3 s SER 6 Cb -0.40 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wh3 s SER 6 CO 0.38 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1wh3 n GLY 7 N -1.26 -1.84 3.90 3.44 0.00 -1.26 -4.77 105.19 103.40 1wh3 n GLY 7 Ca -0.19 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.86 5.23 -0.31 -0.61 -4.36 -0.07 -4.87 121.20 114.36 1wh3 s ILE 8 Ca 0.00 -0.08 -0.09 0.00 -0.26 0.00 0.00 60.65 60.22 1wh3 s ILE 8 Cb 0.00 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 40.08 1wh3 s ILE 8 CO 0.00 0.08 0.13 -1.58 0.24 0.00 0.00 174.94 173.81 1wh3 s GLN 9 N -2.58 3.26 0.18 0.37 0.74 -1.26 -2.48 119.66 117.87 1wh3 s GLN 9 Ca 0.39 -0.76 0.08 0.00 0.05 0.00 0.00 55.36 55.11 1wh3 s GLN 9 Cb -0.12 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1wh3 s GLN 9 CO 0.25 -0.43 -0.04 0.14 -0.55 0.00 0.00 175.29 174.66 1wh3 s VAL 10 N 1.58 3.51 -0.39 1.34 -7.23 -1.00 0.18 120.40 118.39 1wh3 s VAL 10 Ca 0.04 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 1wh3 s VAL 10 Cb -0.17 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.09 1wh3 s VAL 10 CO 0.05 -0.11 0.21 -0.36 -0.31 0.00 0.00 175.10 174.58 1wh3 s PHE 11 N -1.71 3.35 -0.48 2.82 0.40 0.55 -1.33 117.98 121.58 1wh3 s PHE 11 Ca 0.26 -1.64 -0.24 0.00 -0.60 0.00 0.00 56.93 54.72 1wh3 s PHE 11 Cb -0.09 -2.81 0.03 0.00 0.51 0.00 0.00 43.02 40.66 1wh3 s PHE 11 CO 0.17 -0.84 0.85 0.08 0.70 0.00 0.00 175.22 176.19 1wh3 s VAL 12 N 1.38 4.55 -0.31 -0.44 1.01 -0.83 -0.75 120.40 125.01 1wh3 s VAL 12 Ca 0.02 0.46 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1wh3 s VAL 12 Cb -0.22 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.75 1wh3 s VAL 12 CO 0.01 -0.84 0.59 -0.75 0.00 0.00 0.00 175.10 174.11 1wh3 s LYS 13 N 3.54 3.86 0.63 2.72 2.20 -0.25 -2.60 119.74 129.82 1wh3 s LYS 13 Ca 0.32 0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.96 1wh3 s LYS 13 Cb -0.12 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1wh3 s LYS 13 CO 0.23 -0.56 1.10 -0.80 -0.36 0.00 0.00 175.35 174.96 1wh3 s ASN 14 N 1.66 5.36 0.00 1.43 0.01 0.04 -1.62 114.94 121.83 1wh3 s ASN 14 Ca 0.23 1.98 0.16 0.00 -0.71 0.00 0.00 52.86 54.52 1wh3 s ASN 14 Cb -0.15 -2.55 0.93 0.00 0.41 0.00 0.00 41.25 39.89 1wh3 s ASN 14 CO 0.12 -1.46 1.34 -0.81 -1.51 0.00 0.00 177.10 174.78 1wh3 n PRO 15 N -2.15 0.49 -0.10 -0.60 -0.04 -1.19 -3.15 135.00 128.26 1wh3 n PRO 15 Ca 0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1wh3 n PRO 15 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.00 1.86 0.00 3.54 2.03 -1.26 -5.01 116.55 116.71 1wh3 n ASP 16 Ca 0.12 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1wh3 n ASP 16 Cb 0.05 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1wh3 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wh3 n GLY 17 N 1.48 0.00 3.29 0.27 0.00 -1.19 -5.18 105.19 103.86 1wh3 n GLY 17 Ca -0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 1.80 -0.23 -0.02 0.00 -1.26 -5.00 107.32 102.61 1wh3 s GLY 18 Ca 0.00 -1.80 -0.25 0.00 0.00 0.00 0.00 44.72 42.66 1wh3 s GLY 18 CO 0.00 -1.34 0.70 -1.35 0.00 0.00 0.00 173.10 171.11 1wh3 s SER 19 N -3.26 -0.72 0.22 1.64 1.04 -1.26 -0.78 113.70 110.58 1wh3 s SER 19 Ca 0.38 1.32 0.03 0.00 0.48 0.00 0.00 55.95 58.15 1wh3 s SER 19 Cb 0.04 1.31 -0.05 0.00 0.10 0.00 0.00 66.02 67.42 1wh3 s SER 19 CO 0.20 -0.30 0.02 -0.31 0.98 0.00 0.00 173.24 173.83 1wh3 s TYR 20 N 0.14 1.45 -0.38 5.02 2.02 -1.07 -4.95 117.35 119.58 1wh3 s TYR 20 Ca -0.02 -1.00 -0.12 0.00 -0.37 0.00 0.00 57.07 55.56 1wh3 s TYR 20 Cb -0.04 -0.84 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1wh3 s TYR 20 CO 0.02 -0.15 0.23 0.00 -1.57 0.00 0.00 175.55 174.08 1wh3 s ALA 21 N -3.56 3.35 0.06 3.71 0.00 -1.26 -1.96 121.76 122.11 1wh3 s ALA 21 Ca 0.29 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1wh3 s ALA 21 Cb 0.06 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1wh3 s ALA 21 CO 0.08 -1.33 0.21 0.71 0.00 0.00 0.00 175.76 175.44 1wh3 s TYR 22 N 1.61 3.51 -0.20 0.00 1.51 -0.44 -4.95 117.35 118.39 1wh3 s TYR 22 Ca 0.03 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1wh3 s TYR 22 Cb -0.19 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1wh3 s TYR 22 CO 0.08 0.59 -0.10 0.00 -1.11 0.00 0.00 175.55 175.01 1wh3 s ALA 23 N -1.52 2.65 -0.19 3.71 0.00 -1.26 -2.38 121.76 122.78 1wh3 s ALA 23 Ca 0.35 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 1wh3 s ALA 23 Cb -0.13 -1.52 0.06 0.00 0.00 0.00 0.00 23.12 21.53 1wh3 s ALA 23 CO 0.28 -0.37 0.58 -1.50 0.00 0.00 0.00 175.76 174.75 1wh3 s ILE 24 N 1.36 0.00 0.34 0.00 2.07 -1.04 -5.00 121.20 118.94 1wh3 s ILE 24 Ca 0.05 -0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 58.99 1wh3 s ILE 24 Cb -0.14 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.53 1wh3 s ILE 24 CO -0.06 -0.02 1.08 0.20 -1.91 0.00 0.00 174.94 174.24 1wh3 s ASN 25 N 0.03 6.99 0.47 4.50 -0.87 -1.26 -0.89 114.94 123.91 1wh3 s ASN 25 Ca -0.02 2.18 0.31 0.00 -1.57 0.00 0.00 52.86 53.76 1wh3 s ASN 25 Cb -0.04 -2.61 1.29 0.00 -0.02 0.00 0.00 41.25 39.88 1wh3 s ASN 25 CO 0.02 -0.33 1.92 1.55 -2.57 0.00 0.00 177.10 177.69 1wh3 h PRO 26 N 3.17 0.00 0.00 -0.60 0.13 -1.94 -2.67 132.00 130.10 1wh3 h PRO 26 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1wh3 h PRO 26 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1wh3 h PRO 26 CO 0.65 0.00 -0.58 -2.95 -0.23 0.00 0.00 178.00 174.88 1wh3 h ASN 27 N 0.00 0.00 -4.08 1.44 -1.07 -1.98 -3.15 115.58 106.74 1wh3 h ASN 27 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 55.90 1wh3 h ASN 27 Cb 0.45 0.00 0.14 0.00 -2.07 0.00 0.00 38.32 36.84 1wh3 h ASN 27 CO 0.00 0.52 0.26 -0.94 0.07 0.00 0.00 177.43 177.34 1wh3 s SER 28 N -6.42 3.42 0.57 6.14 1.04 -1.01 -4.86 113.70 112.59 1wh3 s SER 28 Ca 0.03 1.30 -0.14 0.00 0.48 0.00 0.00 55.95 57.62 1wh3 s SER 28 Cb 0.08 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 1wh3 s SER 28 CO 0.75 -2.65 1.02 -0.36 0.98 0.00 0.00 173.24 172.98 1wh3 s PHE 29 N -3.03 3.40 0.13 5.02 0.08 -1.26 -3.38 117.98 118.94 1wh3 s PHE 29 Ca 0.64 1.42 -0.19 0.00 0.12 0.00 0.00 56.93 58.91 1wh3 s PHE 29 Cb -0.17 -2.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.45 1wh3 s PHE 29 CO 0.56 -0.66 1.73 0.82 -0.10 0.00 0.00 175.22 177.57 1wh3 h ILE 30 N 0.33 0.88 -0.90 0.64 1.08 -1.00 -2.76 117.51 115.78 1wh3 h ILE 30 Ca -0.46 -0.04 0.15 0.00 -0.39 0.00 0.00 64.86 64.13 1wh3 h ILE 30 Cb 1.19 0.75 -0.15 0.00 -3.07 0.00 0.00 36.82 35.54 1wh3 h ILE 30 CO 0.61 0.02 -0.31 -0.11 -0.69 0.00 0.00 178.15 177.67 1wh3 n LEU 31 N -5.10 -0.49 -0.33 1.44 7.94 -1.21 0.74 117.00 119.98 1wh3 n LEU 31 Ca -0.02 1.56 0.22 0.00 -1.11 0.00 0.00 56.01 56.66 1wh3 n LEU 31 Cb 0.11 -0.40 0.42 0.00 0.53 0.00 0.00 43.42 44.07 1wh3 n LEU 31 CO 0.27 -1.44 0.92 1.23 -1.11 0.00 0.00 177.39 177.26 1wh3 h GLY 32 N 0.00 1.69 0.85 -3.96 0.00 -1.80 0.15 103.07 99.99 1wh3 h GLY 32 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1wh3 h GLY 32 CO -0.91 -0.63 -0.31 -2.00 0.00 0.00 0.00 176.54 172.70 1wh3 h LEU 33 N 0.02 -0.78 -0.21 3.11 5.85 0.18 -2.97 115.31 120.52 1wh3 h LEU 33 Ca 0.70 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.51 1wh3 h LEU 33 Cb 1.65 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.84 1wh3 h LEU 33 CO -0.84 -0.48 -0.53 0.11 -0.34 0.00 0.00 178.44 176.35 1wh3 h LYS 34 N -0.75 -0.51 -0.91 1.25 6.56 -0.72 -1.23 116.57 120.27 1wh3 h LYS 34 Ca -0.05 0.03 0.19 0.00 -1.06 0.00 0.00 60.65 59.76 1wh3 h LYS 34 Cb 0.62 0.12 -0.17 0.00 -0.57 0.00 0.00 32.23 32.23 1wh3 h LYS 34 CO 0.05 -0.34 -0.21 0.94 -2.06 0.00 0.00 179.45 177.83 1wh3 n GLN 35 N -5.42 -0.08 -0.34 3.15 -0.06 -0.87 0.18 117.38 113.94 1wh3 n GLN 35 Ca -0.05 1.41 0.02 0.00 -2.00 0.00 0.00 57.00 56.38 1wh3 n GLN 35 Cb 0.37 -2.12 0.16 0.00 -4.06 0.00 0.00 30.24 24.59 1wh3 n GLN 35 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1wh3 h GLN 36 N 0.00 1.05 0.00 3.69 4.20 -1.07 0.15 115.11 123.13 1wh3 h GLN 36 Ca 0.44 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.99 1wh3 h GLN 36 Cb 0.70 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1wh3 h GLN 36 CO -0.93 0.69 -0.46 0.82 -0.67 0.00 0.00 178.83 178.29 1wh3 h ILE 37 N 1.08 1.20 0.05 2.54 2.04 0.23 -1.79 117.51 122.86 1wh3 h ILE 37 Ca 0.41 -1.65 -0.22 0.00 1.00 0.00 0.00 64.86 64.41 1wh3 h ILE 37 Cb 0.18 1.92 0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1wh3 h ILE 37 CO -0.18 0.45 -0.88 -0.08 0.00 0.00 0.00 178.15 177.46 1wh3 h GLU 38 N 0.00 0.50 0.00 2.37 4.22 0.59 0.21 114.58 122.48 1wh3 h GLU 38 Ca -0.00 -0.61 0.00 0.00 0.08 0.00 0.00 59.36 58.82 1wh3 h GLU 38 Cb 0.88 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1wh3 h GLU 38 CO 0.06 1.24 0.00 -3.47 -2.18 0.00 0.00 179.01 174.66 1wh3 n ASP 39 N -4.03 0.10 -0.10 1.04 -0.08 0.38 0.03 116.55 113.89 1wh3 n ASP 39 Ca -0.12 0.51 -0.18 0.00 -1.51 0.00 0.00 54.79 53.49 1wh3 n ASP 39 Cb 0.82 -0.54 -0.06 0.00 2.34 0.00 0.00 41.12 43.68 1wh3 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wh3 n GLN 40 N -1.60 0.48 0.10 -0.67 1.13 -0.68 -4.58 117.38 111.57 1wh3 n GLN 40 Ca 0.05 0.20 0.13 0.00 -1.94 0.00 0.00 57.00 55.44 1wh3 n GLN 40 Cb 0.28 -1.33 0.29 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.86 0.00 0.00 -1.09 4.20 -0.68 -3.47 115.11 113.21 1wh3 h GLN 41 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1wh3 h GLN 41 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1wh3 h GLN 41 CO -0.22 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.35 1wh3 n GLY 42 N 1.29 2.51 3.75 3.46 0.00 0.10 -5.01 105.19 111.30 1wh3 n GLY 42 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.49 0.46 0.99 0.20 -1.22 -4.92 118.68 118.68 1wh3 s LEU 43 Ca 0.00 2.34 -0.23 0.00 0.69 0.00 0.00 54.13 56.93 1wh3 s LEU 43 Cb 0.00 -3.62 -0.07 0.00 -0.43 0.00 0.00 46.19 42.06 1wh3 s LEU 43 CO 0.00 -0.31 1.17 -2.16 -0.29 0.00 0.00 176.35 174.75 1wh3 s PRO 44 N -1.00 3.77 0.00 0.98 0.04 -1.26 -4.03 135.00 133.51 1wh3 s PRO 44 Ca 0.49 1.78 0.16 0.00 0.04 0.00 0.00 61.00 63.47 1wh3 s PRO 44 Cb -0.34 -2.42 0.75 0.00 0.04 0.00 0.00 34.50 32.53 1wh3 s PRO 44 CO 0.41 -0.54 1.50 1.63 0.04 0.00 0.00 177.00 180.05 1wh3 n LYS 45 N -0.46 0.09 -0.12 4.56 5.02 -1.26 -2.07 118.16 123.92 1wh3 n LYS 45 Ca 0.07 0.19 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 1wh3 n LYS 45 Cb 0.48 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.27 1wh3 n LYS 45 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1wh3 n LYS 46 N -1.42 1.74 0.00 1.97 2.85 -1.26 -4.16 118.16 117.89 1wh3 n LYS 46 Ca 0.05 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 56.18 1wh3 n LYS 46 Cb 0.17 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 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 0.38 0.28 -2.37 -1.58 6.02 -0.88 -4.84 117.38 114.39 1wh3 n GLN 47 Ca 0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 1wh3 n GLN 47 Cb 0.30 -0.68 -0.04 0.00 1.02 0.00 0.00 30.24 30.84 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 -1.37 4.55 -0.09 -1.09 -2.07 -0.94 0.74 119.66 119.39 1wh3 s GLN 48 Ca 0.00 1.92 -0.03 0.00 -1.82 0.00 0.00 55.36 55.42 1wh3 s GLN 48 Cb 0.00 -3.17 0.05 0.00 -1.09 0.00 0.00 33.01 28.80 1wh3 s GLN 48 CO 0.00 0.07 0.14 -1.14 -1.32 0.00 0.00 175.29 173.04 1wh3 s GLN 49 N -1.35 0.02 0.24 9.60 0.74 -0.76 -4.89 119.66 123.27 1wh3 s GLN 49 Ca 0.47 0.43 -0.07 0.00 0.05 0.00 0.00 55.36 56.24 1wh3 s GLN 49 Cb -0.34 -0.55 -0.06 0.00 1.10 0.00 0.00 33.01 33.16 1wh3 s GLN 49 CO 0.43 -0.37 0.52 -0.51 -0.55 0.00 0.00 175.29 174.81 1wh3 s LEU 50 N 2.25 4.13 -0.01 3.68 1.43 -1.26 -1.68 118.68 127.23 1wh3 s LEU 50 Ca 0.04 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1wh3 s LEU 50 Cb -0.13 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 1wh3 s LEU 50 CO -0.06 -0.11 0.05 -1.61 0.23 0.00 0.00 176.35 174.85 1wh3 s GLU 51 N -3.13 0.17 -0.30 1.70 2.02 -0.89 -3.57 118.70 114.70 1wh3 s GLU 51 Ca 0.45 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.32 1wh3 s GLU 51 Cb -0.11 0.07 0.09 0.00 0.10 0.00 0.00 34.13 34.28 1wh3 s GLU 51 CO 0.26 -0.03 0.06 0.12 0.02 0.00 0.00 175.26 175.69 1wh3 s PHE 52 N -0.46 2.42 -0.46 1.61 5.36 -0.89 -3.08 117.98 122.47 1wh3 s PHE 52 Ca -0.05 -2.11 -0.01 0.00 -0.96 0.00 0.00 56.93 53.80 1wh3 s PHE 52 Cb -0.03 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 1wh3 s PHE 52 CO 0.00 -0.88 0.39 1.04 -1.46 0.00 0.00 175.22 174.32 1wh3 n GLN 53 N 4.64 -2.60 -2.83 10.12 6.02 -1.26 -3.46 117.38 128.00 1wh3 n GLN 53 Ca -0.02 0.32 -0.19 0.00 -0.01 0.00 0.00 57.00 57.10 1wh3 n GLN 53 Cb 0.42 -3.77 0.03 0.00 1.02 0.00 0.00 30.24 27.94 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 -1.05 -0.37 3.23 1.08 0.00 -1.26 -5.00 105.19 101.81 1wh3 n GLY 54 Ca -0.09 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.46 1.02 -0.08 1.61 -2.07 -1.22 -5.15 119.66 108.31 1wh3 s GLN 55 Ca 0.22 -1.44 -0.05 0.00 -1.82 0.00 0.00 55.36 52.28 1wh3 s GLN 55 Cb -0.10 -0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 31.28 1wh3 s GLN 55 CO 0.28 0.03 0.13 0.08 -1.32 0.00 0.00 175.29 174.49 1wh3 s VAL 56 N -3.42 5.27 -0.09 3.63 1.01 -1.26 -2.10 120.40 123.43 1wh3 s VAL 56 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1wh3 s VAL 56 Cb 0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1wh3 s VAL 56 CO -0.00 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 174.88 1wh3 s LEU 57 N -1.31 3.69 0.00 3.92 1.43 -1.23 -4.94 118.68 120.24 1wh3 s LEU 57 Ca 0.19 0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1wh3 s LEU 57 Cb -0.12 -1.86 0.10 0.00 0.03 0.00 0.00 46.19 44.34 1wh3 s LEU 57 CO 0.08 0.38 0.65 0.00 0.23 0.00 0.00 176.35 177.69 1wh3 n GLN 58 N 2.16 -0.15 -0.08 1.70 3.00 -1.26 -4.91 117.38 117.84 1wh3 n GLN 58 Ca -0.19 -1.43 -0.09 0.00 -0.01 0.00 0.00 57.00 55.29 1wh3 n GLN 58 Cb 0.54 -0.53 -0.13 0.00 0.00 0.00 0.00 30.24 30.11 1wh3 n GLN 58 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1wh3 n ASP 59 N -3.15 0.80 0.15 1.08 5.75 -1.26 -4.19 116.55 115.73 1wh3 n ASP 59 Ca 0.10 -0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.99 1wh3 n ASP 59 Cb 0.34 0.90 0.10 0.00 -1.03 0.00 0.00 41.12 41.42 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 -3.78 2.11 0.09 -1.98 -3.22 115.95 109.17 1wh3 h TRP 60 Ca -0.47 0.00 -0.48 0.00 0.09 0.00 0.00 58.89 58.03 1wh3 h TRP 60 Cb 2.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 31.27 1wh3 h TRP 60 CO 0.00 0.00 0.24 -0.51 0.09 0.00 0.00 178.44 178.26 1wh3 s LEU 61 N -5.57 4.26 0.82 0.11 1.43 -1.26 -4.84 118.68 113.63 1wh3 s LEU 61 Ca 0.03 1.62 -0.07 0.00 -1.03 0.00 0.00 54.13 54.68 1wh3 s LEU 61 Cb 0.08 -3.94 0.16 0.00 0.03 0.00 0.00 46.19 42.52 1wh3 s LEU 61 CO 0.73 -0.09 1.13 -0.83 0.23 0.00 0.00 176.35 177.53 1wh3 s GLY 62 N -1.77 1.77 0.39 -3.19 0.00 -1.26 -0.61 107.32 102.64 1wh3 s GLY 62 Ca 0.50 -1.52 0.21 0.00 0.00 0.00 0.00 44.72 43.90 1wh3 s GLY 62 CO 0.21 -0.86 1.57 1.41 0.00 0.00 0.00 173.10 175.43 1wh3 h LEU 63 N -1.00 0.00 0.00 0.66 4.07 -1.60 -3.25 115.31 114.19 1wh3 h LEU 63 Ca -0.40 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.36 1wh3 h LEU 63 Cb 1.25 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.96 1wh3 h LEU 63 CO 0.39 0.17 -1.08 1.23 -1.08 0.00 0.00 178.44 178.07 1wh3 h GLY 64 N 3.70 0.00 -0.07 0.83 0.00 -1.86 -2.58 103.07 103.09 1wh3 h GLY 64 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.48 1wh3 h GLY 64 CO 0.02 0.00 0.16 -2.22 0.00 0.00 0.00 176.54 174.50 1wh3 h ILE 65 N 0.00 0.51 0.00 2.60 1.08 -1.89 0.05 117.51 119.87 1wh3 h ILE 65 Ca -0.08 -0.09 -0.20 0.00 -0.39 0.00 0.00 64.86 64.10 1wh3 h ILE 65 Cb 1.73 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1wh3 h ILE 65 CO 0.10 0.05 -0.96 1.88 -0.69 0.00 0.00 178.15 178.53 1wh3 h TYR 66 N 0.25 0.00 0.00 1.37 0.05 -1.74 -3.48 116.97 113.42 1wh3 h TYR 66 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 1wh3 h TYR 66 Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1wh3 h TYR 66 CO -0.27 0.96 0.00 0.41 -1.05 0.00 0.00 178.16 178.21 1wh3 n GLY 67 N 1.29 1.80 3.73 3.88 0.00 0.00 -5.07 105.19 110.82 1wh3 n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1wh3 n GLY 67 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wh3 n ILE 68 N -1.18 4.32 -4.15 -0.61 5.41 -0.98 -5.03 119.36 117.15 1wh3 n ILE 68 Ca 0.00 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.01 1wh3 n ILE 68 Cb 0.00 -1.54 -0.07 0.00 -0.71 0.00 0.00 39.64 37.31 1wh3 n ILE 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wh3 s GLN 69 N -3.08 2.25 0.89 0.38 -2.07 -1.26 -4.86 119.66 111.91 1wh3 s GLN 69 Ca 0.77 -1.72 -0.12 0.00 -1.82 0.00 0.00 55.36 52.48 1wh3 s GLN 69 Cb -0.40 -2.05 0.13 0.00 -1.09 0.00 0.00 33.01 29.60 1wh3 s GLN 69 CO 0.45 0.01 1.09 0.16 -1.32 0.00 0.00 175.29 175.69 1wh3 s ASP 70 N -3.85 3.52 -1.77 12.60 -4.77 -1.26 -3.59 116.67 117.55 1wh3 s ASP 70 Ca 0.39 1.41 -0.20 0.00 -3.30 0.00 0.00 52.55 50.84 1wh3 s ASP 70 Cb 0.01 -2.09 0.19 0.00 -1.09 0.00 0.00 42.92 39.93 1wh3 s ASP 70 CO 0.22 -2.60 0.69 -1.20 0.70 0.00 0.00 175.17 172.99 1wh3 n SER 71 N -3.85 -2.58 -4.93 2.11 7.64 0.48 -4.92 113.62 107.58 1wh3 n SER 71 Ca 0.07 -1.12 -0.22 0.00 1.01 0.00 0.00 58.87 58.61 1wh3 n SER 71 Cb 0.56 -2.26 0.05 0.00 -1.01 0.00 0.00 64.21 61.54 1wh3 n SER 71 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wh3 s ASP 72 N -3.31 5.10 -0.24 6.43 2.15 -1.21 -4.87 116.67 120.71 1wh3 s ASP 72 Ca 0.76 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 53.71 1wh3 s ASP 72 Cb -0.43 -0.77 0.03 0.00 -0.30 0.00 0.00 42.92 41.45 1wh3 s ASP 72 CO 0.97 -1.29 -0.08 -0.89 -0.17 0.00 0.00 175.17 173.71 1wh3 s THR 73 N -2.86 2.71 -0.12 1.71 2.01 -1.26 -0.33 115.64 117.49 1wh3 s THR 73 Ca 0.59 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 1wh3 s THR 73 Cb -0.10 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1wh3 s THR 73 CO 0.40 0.21 0.01 -0.76 -0.69 0.00 0.00 174.62 173.79 1wh3 s LEU 74 N 1.30 3.59 0.06 4.42 1.43 0.07 -4.91 118.68 124.65 1wh3 s LEU 74 Ca -0.00 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1wh3 s LEU 74 Cb -0.17 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1wh3 s LEU 74 CO -0.05 0.29 0.46 -0.63 0.23 0.00 0.00 176.35 176.64 1wh3 s ILE 75 N -0.34 4.97 -0.08 -0.59 -1.09 -1.18 -1.09 121.20 121.80 1wh3 s ILE 75 Ca 0.07 0.79 0.05 0.00 -2.23 0.00 0.00 60.65 59.33 1wh3 s ILE 75 Cb -0.12 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1wh3 s ILE 75 CO 0.02 0.43 -0.23 -0.22 -1.23 0.00 0.00 174.94 173.71 1wh3 s LEU 76 N -1.49 2.16 -0.06 2.97 2.96 -0.64 -2.10 118.68 122.49 1wh3 s LEU 76 Ca 0.30 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1wh3 s LEU 76 Cb -0.16 -1.42 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1wh3 s LEU 76 CO 0.17 0.21 0.13 -0.44 -1.32 0.00 0.00 176.35 175.09 1wh3 s SER 77 N 0.06 0.00 0.55 3.68 0.01 -0.68 -3.18 113.70 114.15 1wh3 s SER 77 Ca -0.10 0.25 -0.19 0.00 1.31 0.00 0.00 55.95 57.22 1wh3 s SER 77 Cb -0.16 0.14 -0.06 0.00 0.21 0.00 0.00 66.02 66.16 1wh3 s SER 77 CO 0.06 -0.15 1.12 -0.75 0.41 0.00 0.00 173.24 173.93 1wh3 s LYS 78 N 1.26 3.34 0.08 12.44 2.20 -1.26 -1.83 119.74 135.98 1wh3 s LYS 78 Ca -0.08 1.58 -0.31 0.00 -0.36 0.00 0.00 55.97 56.80 1wh3 s LYS 78 Cb -0.12 -2.01 -0.08 0.00 -1.51 0.00 0.00 37.83 34.12 1wh3 s LYS 78 CO -0.05 -0.85 1.49 0.15 -0.36 0.00 0.00 175.35 175.73 1wh3 s LYS 79 N -3.34 4.26 0.05 4.03 -0.14 0.23 -4.92 119.74 119.90 1wh3 s LYS 79 Ca 0.72 2.16 -0.22 0.00 -1.36 0.00 0.00 55.97 57.27 1wh3 s LYS 79 Cb -0.23 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.45 1wh3 s LYS 79 CO 0.28 -0.58 0.65 0.21 -0.76 0.00 0.00 175.35 175.15 1wh3 s LYS 80 N 1.86 4.37 0.00 1.68 2.20 -1.26 -4.93 119.74 123.65 1wh3 s LYS 80 Ca 0.68 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1wh3 s LYS 80 Cb -0.37 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1wh3 s LYS 80 CO 0.30 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 1wh3 n GLY 81 N 2.16 2.44 3.67 5.54 0.00 -1.26 -5.10 105.19 112.64 1wh3 n GLY 81 Ca -0.06 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 1wh3 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh3 s SER 82 N 0.00 4.18 0.00 1.61 1.04 -1.26 -5.11 113.70 114.16 1wh3 s SER 82 Ca 0.00 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1wh3 s SER 82 Cb 0.00 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1wh3 s SER 82 CO 0.00 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wh3 n GLY 83 N -1.08 -0.20 3.62 7.32 0.00 -1.26 -5.15 105.19 108.44 1wh3 n GLY 83 Ca -0.03 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 -0.81 0.08 1.61 0.04 -1.26 -5.09 135.00 127.58 1wh3 s PRO 84 Ca 0.00 0.08 0.05 0.00 0.04 0.00 0.00 61.00 61.16 1wh3 s PRO 84 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1wh3 s PRO 84 CO 0.00 -3.46 -0.13 -1.12 0.04 0.00 0.00 177.00 172.33 1wh3 s SER 85 N -3.78 1.58 -0.12 6.66 0.01 -1.26 -5.14 113.70 111.65 1wh3 s SER 85 Ca 0.69 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 1wh3 s SER 85 Cb -0.12 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.12 1wh3 s SER 85 CO 0.56 -0.14 0.01 -0.94 0.41 0.00 0.00 173.24 173.15 1wh3 s SER 86 N -1.95 2.16 0.00 2.44 1.04 -1.26 -5.30 113.70 110.82 1wh3 s SER 86 Ca -0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1wh3 s SER 86 Cb -0.08 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1wh3 s SER 86 CO 0.02 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.61