#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgd s SER 2 N 0.00 2.44 0.37 1.61 0.15 -1.26 -5.12 113.70 111.89 1wgd s SER 2 Ca 0.00 -2.67 -0.05 0.00 0.70 0.00 0.00 55.95 53.94 1wgd s SER 2 Cb 0.00 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1wgd s SER 2 CO 0.00 -0.24 0.64 -0.44 1.20 0.00 0.00 173.24 174.41 1wgd s SER 3 N 0.48 6.38 0.00 5.45 0.01 -1.26 -5.05 113.70 119.72 1wgd s SER 3 Ca 0.25 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1wgd s SER 3 Cb -0.11 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1wgd s SER 3 CO -0.09 -0.34 0.77 0.61 0.41 0.00 0.00 173.24 174.60 1wgd n GLY 4 N -1.49 -2.68 2.56 3.44 0.00 -1.26 -5.01 105.19 100.75 1wgd n GLY 4 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1wgd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgd n SER 5 N -1.32 -2.03 -2.80 1.61 2.88 -1.26 -4.73 113.62 105.97 1wgd n SER 5 Ca 0.00 1.46 -0.03 0.00 -1.33 0.00 0.00 58.87 58.97 1wgd n SER 5 Cb 0.00 -5.28 0.00 0.00 -0.75 0.00 0.00 64.21 58.18 1wgd n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgd n SER 6 N 1.76 -7.92 -4.98 -3.46 7.64 -1.26 -5.04 113.62 100.36 1wgd n SER 6 Ca -0.35 1.08 -0.21 0.00 1.01 0.00 0.00 58.87 60.39 1wgd n SER 6 Cb 0.55 -5.14 0.03 0.00 -1.01 0.00 0.00 64.21 58.63 1wgd n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgd s GLY 7 N -1.92 1.96 0.49 0.23 0.00 -1.26 -4.91 107.32 101.92 1wgd s GLY 7 Ca 0.09 -1.84 0.07 0.00 0.00 0.00 0.00 44.72 43.04 1wgd s GLY 7 CO 0.75 -1.74 0.45 -1.34 0.00 0.00 0.00 173.10 171.22 1wgd s VAL 8 N -2.65 2.16 -0.26 1.40 -7.23 -1.26 -4.89 120.40 107.68 1wgd s VAL 8 Ca 0.52 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1wgd s VAL 8 Cb -0.05 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.43 1wgd s VAL 8 CO 0.33 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.11 1wgd s THR 9 N -2.63 2.19 -0.29 5.32 2.01 -1.26 -1.90 115.64 119.08 1wgd s THR 9 Ca 0.44 -1.59 -0.17 0.00 0.31 0.00 0.00 61.69 60.67 1wgd s THR 9 Cb -0.03 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1wgd s THR 9 CO 0.27 -0.00 0.49 -0.76 -0.69 0.00 0.00 174.62 173.93 1wgd s LEU 10 N 1.11 4.14 -0.47 4.42 1.43 0.53 0.71 118.68 130.55 1wgd s LEU 10 Ca -0.08 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 1wgd s LEU 10 Cb -0.20 -2.60 0.09 0.00 0.03 0.00 0.00 46.19 43.52 1wgd s LEU 10 CO -0.05 -0.34 0.37 -0.76 0.23 0.00 0.00 176.35 175.80 1wgd s LEU 11 N 2.31 5.62 -0.84 1.79 1.43 0.11 -0.74 118.68 128.36 1wgd s LEU 11 Ca 0.19 -1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 51.48 1wgd s LEU 11 Cb -0.16 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1wgd s LEU 11 CO 0.11 -0.67 1.60 -0.69 0.23 0.00 0.00 176.35 176.93 1wgd s VAL 12 N 1.53 3.65 0.31 -1.59 1.01 0.39 0.20 120.40 125.89 1wgd s VAL 12 Ca 0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1wgd s VAL 12 Cb -0.25 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.50 1wgd s VAL 12 CO 0.03 -1.49 0.62 -0.75 0.00 0.00 0.00 175.10 173.52 1wgd s LYS 13 N 6.06 3.74 -0.31 2.72 2.20 0.46 -2.64 119.74 131.96 1wgd s LYS 13 Ca 0.53 0.24 -0.15 0.00 -0.36 0.00 0.00 55.97 56.23 1wgd s LYS 13 Cb -0.06 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 1wgd s LYS 13 CO 0.05 0.16 0.35 -1.54 -0.36 0.00 0.00 175.35 174.01 1wgd s SER 14 N -2.92 6.18 0.14 1.43 1.04 -1.26 -3.90 113.70 114.42 1wgd s SER 14 Ca 0.47 -0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.83 1wgd s SER 14 Cb -0.11 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 1wgd s SER 14 CO 0.27 -0.25 1.34 1.55 0.98 0.00 0.00 173.24 177.13 1wgd h PRO 15 N 8.36 0.47 0.00 4.02 0.13 -1.95 -3.42 132.00 139.61 1wgd h PRO 15 Ca -0.31 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1wgd h PRO 15 Cb 1.16 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wgd h PRO 15 CO 0.66 1.10 -0.14 -1.71 -0.23 0.00 0.00 178.00 177.67 1wgd n ASN 16 N -3.80 0.51 0.00 1.44 2.85 -1.26 -5.06 115.26 109.94 1wgd n ASN 16 Ca -0.06 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1wgd n ASN 16 Cb 0.79 -0.31 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wgd n GLN 17 N -2.99 0.00 -0.04 1.20 10.64 -1.26 -5.08 117.38 119.85 1wgd n GLN 17 Ca -0.02 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.10 1wgd n GLN 17 Cb 0.08 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.44 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1wgd n ARG 18 N 0.00 0.29 -3.84 2.61 5.12 -1.26 -5.12 116.66 114.46 1wgd n ARG 18 Ca 0.00 0.12 -0.06 0.00 -1.93 0.00 0.00 57.85 55.97 1wgd n ARG 18 Cb 0.00 -0.99 0.02 0.00 -1.16 0.00 0.00 32.46 30.33 1wgd n ARG 18 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wgd s HIS 19 N -2.32 0.10 0.75 -1.55 2.46 -1.26 -5.11 115.29 108.36 1wgd s HIS 19 Ca -0.16 -0.65 -0.11 0.00 0.47 0.00 0.00 55.06 54.61 1wgd s HIS 19 Cb 0.02 0.78 0.04 0.00 -0.13 0.00 0.00 32.58 33.29 1wgd s HIS 19 CO 0.24 -1.27 1.08 1.03 -2.47 0.00 0.00 174.74 173.35 1wgd s ARG 20 N -2.25 2.46 -0.23 2.88 0.52 -1.26 -4.24 118.95 116.83 1wgd s ARG 20 Ca 0.18 0.79 -0.42 0.00 -0.52 0.00 0.00 55.73 55.76 1wgd s ARG 20 Cb -0.04 -1.95 -0.18 0.00 0.52 0.00 0.00 34.95 33.30 1wgd s ARG 20 CO 0.09 -1.40 1.49 -0.40 0.02 0.00 0.00 175.30 175.10 1wgd n ASP 21 N -3.30 1.38 -4.09 0.23 5.75 -1.26 -4.89 116.55 110.37 1wgd n ASP 21 Ca 0.07 1.14 -0.32 0.00 -0.01 0.00 0.00 54.79 55.67 1wgd n ASP 21 Cb 0.55 -1.02 -0.16 0.00 -1.03 0.00 0.00 41.12 39.46 1wgd n ASP 21 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1wgd s LEU 22 N 2.10 2.59 -0.22 -2.12 2.96 -1.08 -4.94 118.68 117.96 1wgd s LEU 22 Ca 0.97 -0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1wgd s LEU 22 Cb -1.23 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1wgd s LEU 22 CO 0.66 -0.08 0.07 -0.70 -1.32 0.00 0.00 176.35 174.97 1wgd s GLU 23 N 1.24 3.78 0.04 1.98 -6.30 -1.25 0.15 118.70 118.35 1wgd s GLU 23 Ca -0.01 -0.43 -0.04 0.00 -2.50 0.00 0.00 54.97 52.00 1wgd s GLU 23 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 34.13 30.67 1wgd s GLU 23 CO -0.10 0.00 0.04 -0.48 0.02 0.00 0.00 175.26 174.75 1wgd s LEU 24 N 1.11 2.06 0.87 2.70 2.34 0.08 -4.95 118.68 122.89 1wgd s LEU 24 Ca 0.04 -0.69 -0.14 0.00 0.06 0.00 0.00 54.13 53.40 1wgd s LEU 24 Cb -0.14 0.44 -0.01 0.00 -0.56 0.00 0.00 46.19 45.92 1wgd s LEU 24 CO 0.03 -0.53 0.36 -0.24 -1.06 0.00 0.00 176.35 174.91 1wgd n SER 25 N 0.59 -2.07 0.00 1.48 2.88 -1.26 -0.35 113.62 114.89 1wgd n SER 25 Ca -0.18 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1wgd n SER 25 Cb 0.59 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1wgd n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 26 N 1.70 0.11 1.78 0.46 0.00 -0.80 -4.48 105.19 103.96 1wgd n GLY 26 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1wgd n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgd n ASP 27 N -2.38 -4.64 0.31 1.61 -0.08 -1.26 -4.14 116.55 105.96 1wgd n ASP 27 Ca 0.00 0.88 0.14 0.00 -1.51 0.00 0.00 54.79 54.30 1wgd n ASP 27 Cb 0.00 -3.14 0.74 0.00 2.34 0.00 0.00 41.12 41.05 1wgd n ASP 27 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1wgd h ARG 28 N 2.13 0.00 0.04 -0.67 3.08 -1.91 0.70 114.38 117.75 1wgd h ARG 28 Ca -0.08 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.75 1wgd h ARG 28 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1wgd h ARG 28 CO 0.00 0.00 -1.02 0.78 -1.07 0.00 0.00 179.97 178.66 1wgd h GLY 29 N 0.00 0.14 -1.54 0.04 0.00 -1.94 -1.52 103.07 98.25 1wgd h GLY 29 Ca 0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 47.33 46.60 1wgd h GLY 29 CO 0.00 0.28 -1.43 0.79 0.00 0.00 0.00 176.54 176.18 1wgd n TRP 30 N -3.50 -1.51 -4.31 5.60 7.02 0.24 -4.77 117.44 116.20 1wgd n TRP 30 Ca -0.03 0.30 -0.19 0.00 -1.02 0.00 0.00 57.50 56.55 1wgd n TRP 30 Cb 0.92 -1.47 -0.15 0.00 -2.42 0.00 0.00 31.31 28.18 1wgd n TRP 30 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1wgd s SER 31 N -1.57 1.04 0.19 -0.99 0.01 -1.26 -3.47 113.70 107.65 1wgd s SER 31 Ca 0.45 -0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.35 1wgd s SER 31 Cb -0.03 -0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.07 1wgd s SER 31 CO 0.58 0.05 1.41 0.52 0.41 0.00 0.00 173.24 176.22 1wgd n VAL 32 N 3.28 -0.52 0.07 3.43 0.31 -1.26 0.21 118.33 123.84 1wgd n VAL 32 Ca -0.18 2.16 -0.11 0.00 -0.01 0.00 0.00 64.34 66.20 1wgd n VAL 32 Cb 0.55 -2.80 -0.05 0.00 -0.91 0.00 0.00 33.84 30.63 1wgd n VAL 32 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wgd h GLY 33 N 0.00 -0.37 0.85 2.92 0.00 -1.81 -0.70 103.07 103.96 1wgd h GLY 33 Ca 0.27 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.86 1wgd h GLY 33 CO -0.89 -0.20 -0.39 0.84 0.00 0.00 0.00 176.54 175.89 1wgd h HIS 34 N -0.38 -1.03 -0.96 5.60 6.17 -0.49 -2.87 115.15 121.19 1wgd h HIS 34 Ca 0.06 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.21 1wgd h HIS 34 Cb 0.46 0.37 -0.11 0.00 2.52 0.00 0.00 27.41 30.64 1wgd h HIS 34 CO -0.27 -0.59 -0.56 -0.11 0.71 0.00 0.00 177.93 177.11 1wgd n LEU 35 N -5.53 -1.01 -0.32 0.26 7.94 0.57 -0.19 117.00 118.71 1wgd n LEU 35 Ca -0.13 1.71 -0.08 0.00 -1.11 0.00 0.00 56.01 56.40 1wgd n LEU 35 Cb 0.41 -0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.06 1wgd n LEU 35 CO 0.35 -1.39 0.44 0.29 -1.11 0.00 0.00 177.39 175.96 1wgd n LYS 36 N -5.18 -0.34 -0.10 1.96 5.02 -0.29 0.13 118.16 119.36 1wgd n LYS 36 Ca 0.02 1.30 -0.09 0.00 -2.02 0.00 0.00 58.31 57.52 1wgd n LYS 36 Cb 0.25 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.30 1wgd n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgd h ALA 37 N 0.24 -0.34 -0.78 7.82 0.00 -0.37 0.46 119.26 126.29 1wgd h ALA 37 Ca 0.12 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.25 1wgd h ALA 37 Cb 0.32 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1wgd h ALA 37 CO -0.72 -0.81 0.32 1.25 0.00 0.00 0.00 179.25 179.29 1wgd h HIS 38 N -0.32 0.54 0.72 0.00 -0.00 0.19 -1.41 115.15 114.87 1wgd h HIS 38 Ca 0.14 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1wgd h HIS 38 Cb 0.57 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1wgd h HIS 38 CO -0.56 0.06 -0.38 -0.07 -0.00 0.00 0.00 177.93 176.98 1wgd h LEU 39 N 0.45 -0.94 -1.83 0.26 3.38 0.43 -1.55 115.31 115.52 1wgd h LEU 39 Ca 0.43 0.04 0.54 0.00 0.09 0.00 0.00 57.88 58.99 1wgd h LEU 39 Cb 0.67 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 1wgd h LEU 39 CO -0.42 -0.63 1.30 -0.24 0.09 0.00 0.00 178.44 178.55 1wgd n SER 40 N -5.54 0.03 0.00 -0.43 2.88 0.13 0.03 113.62 110.72 1wgd n SER 40 Ca -0.14 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1wgd n SER 40 Cb 0.42 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1wgd n SER 40 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1wgd n ARG 41 N -3.97 0.00 0.08 -1.46 0.00 -0.60 -3.08 116.66 107.63 1wgd n ARG 41 Ca 0.42 0.46 0.20 0.00 -0.00 0.00 0.00 57.85 58.94 1wgd n ARG 41 Cb 1.89 -1.26 0.67 0.00 0.00 0.00 0.00 32.46 33.76 1wgd n ARG 41 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1wgd h VAL 42 N 0.00 0.23 -3.31 5.15 -1.51 -0.67 -3.38 116.25 112.75 1wgd h VAL 42 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.90 1wgd h VAL 42 Cb 0.00 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 29.61 1wgd h VAL 42 CO 0.00 0.00 0.38 -0.47 -1.23 0.00 0.00 177.57 176.25 1wgd s TYR 43 N -4.47 3.48 -0.70 5.19 5.04 0.10 -4.98 117.35 121.01 1wgd s TYR 43 Ca -0.04 1.37 -0.26 0.00 -2.44 0.00 0.00 57.07 55.69 1wgd s TYR 43 Cb 0.13 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.42 1wgd s TYR 43 CO 0.47 -0.17 1.58 -1.25 -1.34 0.00 0.00 175.55 174.84 1wgd s PRO 44 N 1.82 2.92 0.00 4.97 0.04 -1.26 -3.02 135.00 140.47 1wgd s PRO 44 Ca 0.41 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1wgd s PRO 44 Cb -0.17 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1wgd s PRO 44 CO 0.16 -2.47 0.00 -0.85 0.04 0.00 0.00 177.00 173.88 1wgd n GLU 45 N 9.25 0.00 -3.26 4.56 0.28 -1.26 -4.99 120.64 125.22 1wgd n GLU 45 Ca 0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 1wgd n GLU 45 Cb 0.50 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.43 1wgd n GLU 45 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wgd n ARG 46 N 0.00 -2.00 -1.24 3.44 3.00 -1.17 -4.96 116.66 113.73 1wgd n ARG 46 Ca 0.00 0.93 -0.25 0.00 -0.01 0.00 0.00 57.85 58.53 1wgd n ARG 46 Cb 0.00 -5.64 0.19 0.00 0.00 0.00 0.00 32.46 27.01 1wgd n ARG 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1wgd n PRO 47 N -3.08 -1.91 -3.60 5.56 -0.04 -1.26 -5.06 135.00 125.61 1wgd n PRO 47 Ca -0.06 -1.59 -0.30 0.00 -0.04 0.00 0.00 63.50 61.50 1wgd n PRO 47 Cb 0.60 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 1wgd n PRO 47 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wgd s ARG 48 N -5.25 3.62 0.46 0.54 0.52 -1.26 -4.81 118.95 112.76 1wgd s ARG 48 Ca 0.61 -0.09 0.26 0.00 -0.52 0.00 0.00 55.73 55.99 1wgd s ARG 48 Cb -0.04 -2.80 0.77 0.00 0.52 0.00 0.00 34.95 33.40 1wgd s ARG 48 CO 0.45 0.40 1.76 -1.00 0.02 0.00 0.00 175.30 176.93 1wgd h PRO 49 N 2.46 0.00 0.17 3.54 0.13 -1.91 -1.71 132.00 134.68 1wgd h PRO 49 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 1wgd h PRO 49 Cb 1.17 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 1wgd h PRO 49 CO 0.70 0.11 -1.27 0.93 -0.23 0.00 0.00 178.00 178.24 1wgd h GLU 50 N 0.00 0.37 -0.36 0.86 4.39 -1.94 -3.34 114.58 114.56 1wgd h GLU 50 Ca -0.00 -0.63 -0.07 0.00 0.34 0.00 0.00 59.36 59.01 1wgd h GLU 50 Cb 0.83 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1wgd h GLU 50 CO 0.01 1.30 -0.03 0.38 -1.16 0.00 0.00 179.01 179.51 1wgd h ASP 51 N -0.15 0.65 -1.38 1.42 3.04 -1.95 -3.43 116.42 114.63 1wgd h ASP 51 Ca -0.24 -0.33 -0.77 0.00 -3.24 0.00 0.00 57.03 52.44 1wgd h ASP 51 Cb 1.88 -0.18 0.02 0.00 -1.04 0.00 0.00 39.33 40.01 1wgd h ASP 51 CO 0.17 0.83 0.74 0.00 -2.04 0.00 0.00 179.24 178.94 1wgd n GLN 52 N -4.46 0.76 -3.72 4.15 6.02 -0.65 -3.55 117.38 115.94 1wgd n GLN 52 Ca -0.02 0.28 -0.38 0.00 -0.01 0.00 0.00 57.00 56.87 1wgd n GLN 52 Cb 0.30 -1.90 -0.12 0.00 1.02 0.00 0.00 30.24 29.54 1wgd n GLN 52 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wgd s ARG 53 N 2.85 2.76 -0.14 -1.09 0.52 0.50 -4.91 118.95 119.43 1wgd s ARG 53 Ca 0.98 -1.09 -0.18 0.00 -0.52 0.00 0.00 55.73 54.92 1wgd s ARG 53 Cb -1.19 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 30.74 1wgd s ARG 53 CO 0.68 -0.63 0.47 -0.51 0.02 0.00 0.00 175.30 175.32 1wgd s LEU 54 N 1.46 4.25 -0.04 2.53 1.02 -1.26 0.13 118.68 126.76 1wgd s LEU 54 Ca -0.00 0.75 0.01 0.00 0.02 0.00 0.00 54.13 54.91 1wgd s LEU 54 Cb -0.19 -2.66 0.02 0.00 0.02 0.00 0.00 46.19 43.38 1wgd s LEU 54 CO 0.04 -0.03 -0.03 -0.63 0.02 0.00 0.00 176.35 175.72 1wgd s ILE 55 N 0.82 0.46 -0.28 -0.59 1.09 -0.01 -0.24 121.20 122.47 1wgd s ILE 55 Ca 0.25 -0.06 0.01 0.00 -1.10 0.00 0.00 60.65 59.74 1wgd s ILE 55 Cb -0.15 -0.51 0.08 0.00 -1.06 0.00 0.00 42.46 40.82 1wgd s ILE 55 CO 0.10 0.22 0.02 -0.47 -0.10 0.00 0.00 174.94 174.70 1wgd s TYR 56 N 1.04 2.39 0.00 3.97 5.04 0.11 -0.48 117.35 129.42 1wgd s TYR 56 Ca -0.09 -1.95 0.00 0.00 -2.44 0.00 0.00 57.07 52.58 1wgd s TYR 56 Cb -0.14 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.31 1wgd s TYR 56 CO -0.01 -0.83 0.00 0.45 -1.34 0.00 0.00 175.55 173.82 1wgd n SER 57 N 4.66 -1.13 0.00 4.32 2.88 -1.26 -3.10 113.62 119.98 1wgd n SER 57 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wgd n SER 57 Cb 0.43 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1wgd n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 58 N -2.38 0.96 3.71 0.46 0.00 -1.26 -5.07 105.19 101.60 1wgd n GLY 58 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1wgd n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgd s LYS 59 N 0.00 4.55 0.52 1.61 -2.85 -1.18 -4.98 119.74 117.41 1wgd s LYS 59 Ca 0.00 1.42 -0.20 0.00 -1.00 0.00 0.00 55.97 56.19 1wgd s LYS 59 Cb 0.00 -3.46 -0.07 0.00 -2.06 0.00 0.00 37.83 32.24 1wgd s LYS 59 CO 0.00 -0.06 1.07 -1.17 0.10 0.00 0.00 175.35 175.29 1wgd s LEU 60 N 1.05 3.78 0.22 2.77 2.96 -1.26 -0.71 118.68 127.49 1wgd s LEU 60 Ca 0.52 2.01 -0.01 0.00 -0.22 0.00 0.00 54.13 56.43 1wgd s LEU 60 Cb -0.21 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.87 1wgd s LEU 60 CO 0.28 -0.97 0.42 -0.76 -1.32 0.00 0.00 176.35 173.99 1wgd s LEU 61 N -3.68 4.19 0.34 -0.68 1.43 0.67 -4.88 118.68 116.07 1wgd s LEU 61 Ca 0.69 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 1wgd s LEU 61 Cb -0.19 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1wgd s LEU 61 CO 0.24 -0.08 0.13 -0.76 0.23 0.00 0.00 176.35 176.11 1wgd s LEU 62 N -3.43 3.23 0.01 1.79 1.43 -1.26 -4.75 118.68 115.70 1wgd s LEU 62 Ca 0.39 -0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 1wgd s LEU 62 Cb -0.11 -1.69 -0.28 0.00 0.03 0.00 0.00 46.19 44.14 1wgd s LEU 62 CO 0.29 -0.29 1.04 -2.24 0.23 0.00 0.00 176.35 175.38 1wgd h ASP 63 N 1.57 0.66 0.00 2.29 2.03 -1.99 -3.33 116.42 117.65 1wgd h ASP 63 Ca -0.44 -0.84 -0.36 0.00 -0.73 0.00 0.00 57.03 54.66 1wgd h ASP 63 Cb 1.25 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 1wgd h ASP 63 CO 0.64 1.43 1.78 0.00 -1.03 0.00 0.00 179.24 182.06 1wgd n HIS 64 N -4.02 1.09 -4.10 4.15 1.44 -1.26 -4.38 115.22 108.14 1wgd n HIS 64 Ca -0.13 -1.95 -0.13 0.00 -2.01 0.00 0.00 57.72 53.50 1wgd n HIS 64 Cb 0.84 -1.77 -0.06 0.00 0.12 0.00 0.00 29.99 29.13 1wgd n HIS 64 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1wgd s GLN 65 N 2.21 1.67 0.06 -1.40 -0.21 -1.25 -5.14 119.66 115.61 1wgd s GLN 65 Ca 0.54 -1.61 0.05 0.00 0.02 0.00 0.00 55.36 54.36 1wgd s GLN 65 Cb 0.19 0.41 -0.03 0.00 1.00 0.00 0.00 33.01 34.58 1wgd s GLN 65 CO -0.03 -0.67 -0.15 0.00 -2.12 0.00 0.00 175.29 172.32 1wgd h LEU 67 N 4.60 0.35 0.04 0.00 3.38 -1.55 -1.22 115.31 120.91 1wgd h LEU 67 Ca -0.40 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1wgd h LEU 67 Cb 1.18 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1wgd h LEU 67 CO 0.42 0.36 -0.35 -0.09 0.09 0.00 0.00 178.44 178.87 1wgd h ARG 68 N 0.38 -0.45 0.38 1.13 2.43 -1.57 0.45 114.38 117.13 1wgd h ARG 68 Ca 0.09 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1wgd h ARG 68 Cb 0.16 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1wgd h ARG 68 CO -0.00 -0.30 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.53 1wgd h ASP 69 N -0.47 -0.43 -0.20 -3.80 3.32 -1.84 -3.19 116.42 109.81 1wgd h ASP 69 Ca 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1wgd h ASP 69 Cb 0.49 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1wgd h ASP 69 CO -0.21 -0.25 -0.12 -0.07 -1.72 0.00 0.00 179.24 176.87 1wgd h LEU 70 N -0.58 -0.44 -9.94 1.55 3.38 -1.00 -3.38 115.31 104.89 1wgd h LEU 70 Ca -0.05 0.07 -0.50 0.00 0.09 0.00 0.00 57.88 57.48 1wgd h LEU 70 Cb 0.43 0.19 0.05 0.00 0.09 0.00 0.00 40.66 41.42 1wgd h LEU 70 CO 0.08 -0.05 0.49 -0.76 0.09 0.00 0.00 178.44 178.29 1wgd s LEU 71 N -6.90 4.19 0.00 1.67 1.43 0.16 -5.04 118.68 114.19 1wgd s LEU 71 Ca -0.02 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1wgd s LEU 71 Cb 0.02 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1wgd s LEU 71 CO 0.13 -0.64 0.00 -0.81 0.23 0.00 0.00 176.35 175.26 1wgd n PRO 72 N 0.08 0.50 -2.83 1.29 -0.04 -1.26 -4.73 135.00 128.00 1wgd n PRO 72 Ca 0.04 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 1wgd n PRO 72 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1wgd n PRO 72 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wgd n LYS 73 N -0.42 1.59 -2.67 0.54 2.85 -1.26 -4.87 118.16 113.92 1wgd n LYS 73 Ca 0.00 -3.61 -0.04 0.00 -1.05 0.00 0.00 58.31 53.62 1wgd n LYS 73 Cb 0.00 -1.61 0.11 0.00 -0.65 0.00 0.00 35.03 32.87 1wgd n LYS 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wgd n GLN 74 N -0.03 0.23 -3.51 -1.58 10.64 -1.26 -5.16 117.38 116.72 1wgd n GLN 74 Ca 0.20 -0.82 -0.12 0.00 -1.83 0.00 0.00 57.00 54.43 1wgd n GLN 74 Cb 0.71 -0.22 -0.04 0.00 -0.86 0.00 0.00 30.24 29.84 1wgd n GLN 74 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1wgd s GLU 75 N 0.06 0.91 0.00 2.61 2.56 -1.26 -5.12 118.70 118.46 1wgd s GLU 75 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.07 1wgd s GLU 75 Cb 0.28 0.42 0.00 0.00 2.00 0.00 0.00 34.13 36.84 1wgd s GLU 75 CO -0.18 -0.35 0.00 1.63 -0.56 0.00 0.00 175.26 175.80 1wgd n LYS 76 N 0.24 0.00 -3.09 4.30 5.02 -1.26 -4.99 118.16 118.38 1wgd n LYS 76 Ca -0.13 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.97 1wgd n LYS 76 Cb 0.60 -0.35 0.01 0.00 -0.02 0.00 0.00 35.03 35.28 1wgd n LYS 76 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wgd s ARG 77 N 0.00 2.89 0.14 1.97 0.52 -1.26 -4.63 118.95 118.57 1wgd s ARG 77 Ca 0.00 -1.07 0.09 0.00 -0.52 0.00 0.00 55.73 54.23 1wgd s ARG 77 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1wgd s ARG 77 CO 0.00 -0.23 -0.21 -1.01 0.02 0.00 0.00 175.30 173.86 1wgd s HIS 78 N -2.37 1.94 -0.26 -0.53 3.76 0.22 -4.94 115.29 113.12 1wgd s HIS 78 Ca 0.52 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1wgd s HIS 78 Cb -0.10 -1.02 0.07 0.00 1.11 0.00 0.00 32.58 32.65 1wgd s HIS 78 CO 0.33 0.31 0.00 0.08 -0.85 0.00 0.00 174.74 174.61 1wgd s VAL 79 N -1.50 1.38 0.37 -0.90 1.01 -1.26 0.08 120.40 119.58 1wgd s VAL 79 Ca 0.12 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 60.85 1wgd s VAL 79 Cb -0.08 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1wgd s VAL 79 CO 0.06 -0.29 0.48 -0.76 0.00 0.00 0.00 175.10 174.59 1wgd s LEU 80 N 1.43 3.81 -0.36 3.92 2.01 0.52 -4.71 118.68 125.31 1wgd s LEU 80 Ca -0.00 -0.31 0.01 0.00 0.01 0.00 0.00 54.13 53.83 1wgd s LEU 80 Cb -0.18 -2.65 0.11 0.00 0.01 0.00 0.00 46.19 43.48 1wgd s LEU 80 CO -0.10 -0.54 0.14 -1.00 1.01 0.00 0.00 176.35 175.85 1wgd s HIS 81 N -2.26 2.11 -0.39 0.29 3.76 0.36 0.18 115.29 119.34 1wgd s HIS 81 Ca 0.48 -2.16 -0.21 0.00 -0.15 0.00 0.00 55.06 53.02 1wgd s HIS 81 Cb -0.09 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.65 1wgd s HIS 81 CO 0.31 -0.86 0.68 -1.17 -0.85 0.00 0.00 174.74 172.85 1wgd s LEU 82 N 1.09 4.30 -0.09 0.89 2.96 -1.25 -0.83 118.68 125.75 1wgd s LEU 82 Ca 0.13 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1wgd s LEU 82 Cb -0.20 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1wgd s LEU 82 CO -0.14 -0.70 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.48 1wgd s VAL 83 N 2.87 4.13 0.16 1.68 1.01 0.35 -4.86 120.40 125.74 1wgd s VAL 83 Ca 0.26 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1wgd s VAL 83 Cb -0.14 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 1wgd s VAL 83 CO 0.17 0.59 0.59 0.00 0.00 0.00 0.00 175.10 176.46 1wgd n ASN 85 N 0.89 3.33 -1.57 0.00 5.15 -1.23 -4.91 115.26 116.91 1wgd n ASN 85 Ca -0.05 -2.36 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 1wgd n ASN 85 Cb 0.51 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1wgd n ASN 85 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1wgd n VAL 86 N 0.52 -5.27 -4.05 3.44 0.31 -1.26 -5.05 118.33 106.97 1wgd n VAL 86 Ca 0.16 2.38 -0.08 0.00 -0.01 0.00 0.00 64.34 66.79 1wgd n VAL 86 Cb 0.66 -3.27 -0.10 0.00 -0.91 0.00 0.00 33.84 30.23 1wgd n VAL 86 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1wgd s LYS 87 N -3.75 0.57 -0.42 5.55 2.47 -1.26 -5.09 119.74 117.81 1wgd s LYS 87 Ca 0.00 -1.07 0.02 0.00 -1.56 0.00 0.00 55.97 53.36 1wgd s LYS 87 Cb 0.00 0.20 0.15 0.00 -1.46 0.00 0.00 37.83 36.72 1wgd s LYS 87 CO 0.00 -0.11 0.27 0.45 0.16 0.00 0.00 175.35 176.12 1wgd s SER 88 N -2.61 3.01 0.00 1.43 0.15 -1.26 -5.07 113.70 109.34 1wgd s SER 88 Ca 0.02 -2.65 0.00 0.00 0.70 0.00 0.00 55.95 54.02 1wgd s SER 88 Cb 0.04 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1wgd s SER 88 CO -0.08 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1wgd n GLY 89 N 3.46 3.55 2.45 9.45 0.00 -1.26 -5.03 105.19 117.81 1wgd n GLY 89 Ca 0.15 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1wgd n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgd n PRO 90 N 0.00 2.69 -3.98 1.61 -0.04 -1.26 -4.75 135.00 129.28 1wgd n PRO 90 Ca 0.00 -1.70 -0.31 0.00 -0.04 0.00 0.00 63.50 61.45 1wgd n PRO 90 Cb 0.00 -2.55 -0.15 0.00 -0.04 0.00 0.00 33.50 30.76 1wgd n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgd s SER 91 N 2.82 4.66 0.24 3.54 0.01 -1.26 -4.79 113.70 118.91 1wgd s SER 91 Ca 0.52 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.70 1wgd s SER 91 Cb 0.14 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1wgd s SER 91 CO -0.04 -0.38 0.00 -0.24 0.41 0.00 0.00 173.24 172.98 1wgd n SER 92 N 4.33 -2.12 0.00 2.44 2.88 -1.26 -5.11 113.62 114.78 1wgd n SER 92 Ca 0.03 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1wgd n SER 92 Cb 0.42 2.17 0.00 0.00 -0.75 0.00 0.00 64.21 66.05 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42