#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 6.19 -0.19 1.61 0.15 -1.26 -5.01 113.70 115.19 1wgd s SER 2 Ca 0.00 -0.90 -0.27 0.00 0.70 0.00 0.00 55.95 55.48 1wgd s SER 2 Cb 0.00 -2.23 0.08 0.00 -1.71 0.00 0.00 66.02 62.17 1wgd s SER 2 CO 0.00 -0.67 0.79 -0.55 1.20 0.00 0.00 173.24 174.01 1wgd s SER 3 N 2.20 -0.63 -0.33 5.45 0.15 -1.26 -5.13 113.70 114.16 1wgd s SER 3 Ca 0.11 1.01 -0.08 0.00 0.70 0.00 0.00 55.95 57.68 1wgd s SER 3 Cb -0.19 0.95 0.19 0.00 -1.71 0.00 0.00 66.02 65.26 1wgd s SER 3 CO 0.11 -0.36 1.04 -0.83 1.20 0.00 0.00 173.24 174.41 1wgd s GLY 4 N -0.31 -1.59 0.14 9.45 0.00 -1.26 -5.01 107.32 108.75 1wgd s GLY 4 Ca -0.03 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1wgd s GLY 4 CO 0.03 4.29 0.00 -1.26 0.00 0.00 0.00 173.10 176.15 1wgd n SER 5 N 3.57 0.70 0.09 1.64 2.88 -1.26 -5.09 113.62 116.14 1wgd n SER 5 Ca 0.07 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1wgd n SER 5 Cb 0.63 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1wgd n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgd n SER 6 N -3.44 -1.53 0.00 -3.46 2.88 -1.26 -5.18 113.62 101.63 1wgd n SER 6 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1wgd n SER 6 Cb 0.03 1.74 0.00 0.00 -0.75 0.00 0.00 64.21 65.23 1wgd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 7 N -1.18 0.09 3.49 0.46 0.00 -1.26 -4.78 105.19 102.02 1wgd n GLY 7 Ca 0.00 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 1wgd n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wgd s VAL 8 N -1.31 2.75 -0.33 1.61 -7.23 -1.25 -4.85 120.40 109.78 1wgd s VAL 8 Ca 0.00 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.11 1wgd s VAL 8 Cb 0.00 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1wgd s VAL 8 CO 0.00 -0.13 0.52 -0.89 -0.31 0.00 0.00 175.10 174.28 1wgd s THR 9 N -1.74 5.02 -0.25 5.32 2.01 -1.26 0.19 115.64 124.94 1wgd s THR 9 Ca 0.23 0.47 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 1wgd s THR 9 Cb -0.08 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1wgd s THR 9 CO 0.13 -0.15 0.12 -0.76 -0.69 0.00 0.00 174.62 173.27 1wgd s LEU 10 N 2.39 3.79 -0.60 4.42 1.43 0.10 -0.25 118.68 129.96 1wgd s LEU 10 Ca 0.19 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 1wgd s LEU 10 Cb -0.15 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.12 1wgd s LEU 10 CO 0.12 0.01 0.85 -0.76 0.23 0.00 0.00 176.35 176.80 1wgd s LEU 11 N 1.37 4.67 -0.86 1.79 1.43 0.45 -1.55 118.68 125.99 1wgd s LEU 11 Ca 0.06 -0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 51.92 1wgd s LEU 11 Cb -0.15 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1wgd s LEU 11 CO 0.06 -1.25 1.54 -0.69 0.23 0.00 0.00 176.35 176.24 1wgd s VAL 12 N 3.50 3.70 0.36 -1.59 1.01 0.31 0.19 120.40 127.88 1wgd s VAL 12 Ca 0.20 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1wgd s VAL 12 Cb -0.18 -4.68 -0.01 0.00 0.00 0.00 0.00 36.38 31.51 1wgd s VAL 12 CO 0.11 -1.61 0.51 -0.54 0.00 0.00 0.00 175.10 173.57 1wgd s LYS 13 N 5.84 3.09 -0.02 2.72 1.02 0.26 -1.78 119.74 130.87 1wgd s LYS 13 Ca 0.50 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.61 1wgd s LYS 13 Cb -0.05 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1wgd s LYS 13 CO 0.03 -0.02 -0.15 -1.54 -0.92 0.00 0.00 175.35 172.76 1wgd s SER 14 N -4.19 1.82 -1.10 2.83 1.04 -1.26 -2.38 113.70 110.46 1wgd s SER 14 Ca 0.46 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 56.42 1wgd s SER 14 Cb -0.10 -0.33 -0.06 0.00 0.10 0.00 0.00 66.02 65.63 1wgd s SER 14 CO 0.32 0.16 2.08 -0.81 0.98 0.00 0.00 173.24 175.98 1wgd n PRO 15 N 2.92 2.16 -3.91 4.02 -0.04 -1.26 -4.48 135.00 134.40 1wgd n PRO 15 Ca -0.16 -2.19 -0.34 0.00 -0.04 0.00 0.00 63.50 60.77 1wgd n PRO 15 Cb 0.54 -3.08 0.01 0.00 -0.04 0.00 0.00 33.50 30.93 1wgd n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wgd n ASN 16 N 6.75 -4.57 -0.58 3.54 4.13 -1.26 -4.85 115.26 118.43 1wgd n ASN 16 Ca 0.51 -1.11 -0.00 0.00 1.68 0.00 0.00 54.58 55.66 1wgd n ASN 16 Cb 0.39 -1.68 -0.00 0.00 -1.54 0.00 0.00 39.78 36.95 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wgd n GLN 17 N -3.63 0.00 0.00 3.52 -0.00 -1.26 -4.94 117.38 111.07 1wgd n GLN 17 Ca -0.23 -0.51 0.00 0.00 -0.00 0.00 0.00 57.00 56.25 1wgd n GLN 17 Cb 0.64 -0.15 0.00 0.00 -0.00 0.00 0.00 30.24 30.73 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1wgd n ARG 18 N 0.02 0.00 0.00 2.61 1.74 -1.26 -5.05 116.66 114.72 1wgd n ARG 18 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1wgd n ARG 18 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 1wgd n ARG 18 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wgd n HIS 19 N 0.00 0.00 -0.76 -1.55 -0.00 -1.26 -5.08 115.22 106.56 1wgd n HIS 19 Ca 0.00 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.25 1wgd n HIS 19 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1wgd n HIS 19 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1wgd n ARG 20 N -2.24 -1.82 -4.53 1.57 1.74 -1.26 -4.88 116.66 105.23 1wgd n ARG 20 Ca 0.00 1.48 -0.26 0.00 -0.77 0.00 0.00 57.85 58.30 1wgd n ARG 20 Cb 0.00 -2.04 -0.09 0.00 -1.02 0.00 0.00 32.46 29.31 1wgd n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wgd s ASP 21 N -5.41 2.89 -0.21 0.55 1.01 -1.26 -4.36 116.67 109.87 1wgd s ASP 21 Ca 0.00 -1.58 -0.07 0.00 0.71 0.00 0.00 52.55 51.61 1wgd s ASP 21 Cb 0.00 0.32 0.10 0.00 1.01 0.00 0.00 42.92 44.34 1wgd s ASP 21 CO 0.00 -0.82 0.45 -0.22 0.21 0.00 0.00 175.17 174.79 1wgd s LEU 22 N -3.61 -0.70 -0.29 1.23 2.96 -0.73 -4.96 118.68 112.57 1wgd s LEU 22 Ca 0.25 1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 55.13 1wgd s LEU 22 Cb 0.04 1.48 -0.03 0.00 0.50 0.00 0.00 46.19 48.18 1wgd s LEU 22 CO 0.13 -0.23 0.17 -1.61 -1.32 0.00 0.00 176.35 173.49 1wgd s GLU 23 N 2.62 3.68 0.33 1.98 2.02 -1.26 0.11 118.70 128.18 1wgd s GLU 23 Ca -0.02 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.50 1wgd s GLU 23 Cb -0.12 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.46 1wgd s GLU 23 CO -0.14 -0.28 0.09 -0.48 0.02 0.00 0.00 175.26 174.48 1wgd s LEU 24 N 1.69 1.96 0.56 1.80 2.34 -0.59 -4.92 118.68 121.52 1wgd s LEU 24 Ca 0.06 -1.47 -0.18 0.00 0.06 0.00 0.00 54.13 52.61 1wgd s LEU 24 Cb -0.16 -0.17 -0.05 0.00 -0.56 0.00 0.00 46.19 45.24 1wgd s LEU 24 CO 0.08 -0.74 1.09 -0.55 -1.06 0.00 0.00 176.35 175.17 1wgd s SER 25 N -3.47 5.80 -0.33 1.48 0.15 -1.26 0.03 113.70 116.11 1wgd s SER 25 Ca 0.34 2.00 0.17 0.00 0.70 0.00 0.00 55.95 59.16 1wgd s SER 25 Cb 0.07 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.27 1wgd s SER 25 CO 0.15 -1.16 1.08 0.61 1.20 0.00 0.00 173.24 175.13 1wgd n GLY 26 N -0.31 1.54 3.06 9.45 0.00 0.50 -4.69 105.19 114.74 1wgd n GLY 26 Ca 0.10 -0.97 -0.45 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.31 -0.85 0.10 1.61 2.03 -1.26 -3.94 116.55 113.93 1wgd n ASP 27 Ca 0.05 1.02 0.08 0.00 0.52 0.00 0.00 54.79 56.46 1wgd n ASP 27 Cb 0.83 -0.84 0.39 0.00 -0.72 0.00 0.00 41.12 40.78 1wgd n ASP 27 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wgd n ARG 28 N 1.00 0.10 0.08 -0.67 1.74 -1.26 -0.45 116.66 117.20 1wgd n ARG 28 Ca 0.17 0.54 0.06 0.00 -0.77 0.00 0.00 57.85 57.85 1wgd n ARG 28 Cb 0.19 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 1wgd n ARG 28 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wgd h GLY 29 N 0.48 0.00 -0.59 -0.13 0.00 -1.95 -3.10 103.07 97.77 1wgd h GLY 29 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1wgd h GLY 29 CO 0.00 0.00 -0.08 0.79 0.00 0.00 0.00 176.54 177.25 1wgd n TRP 30 N -2.81 -2.50 -3.74 5.60 7.02 0.40 -4.93 117.44 116.49 1wgd n TRP 30 Ca -0.04 -0.26 -0.14 0.00 -1.02 0.00 0.00 57.50 56.04 1wgd n TRP 30 Cb 0.68 -0.80 -0.14 0.00 -2.42 0.00 0.00 31.31 28.63 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 -2.23 -0.03 0.25 -0.99 0.01 -1.26 -4.22 113.70 105.23 1wgd s SER 31 Ca 0.30 0.32 -0.10 0.00 1.31 0.00 0.00 55.95 57.78 1wgd s SER 31 Cb -0.05 0.22 0.36 0.00 0.21 0.00 0.00 66.02 66.76 1wgd s SER 31 CO 0.26 -0.16 1.46 0.52 0.41 0.00 0.00 173.24 175.72 1wgd n VAL 32 N 4.34 -0.43 -0.23 3.43 0.31 -0.99 0.21 118.33 124.97 1wgd n VAL 32 Ca -0.24 2.16 -0.03 0.00 -0.01 0.00 0.00 64.34 66.22 1wgd n VAL 32 Cb 0.51 -2.94 0.08 0.00 -0.91 0.00 0.00 33.84 30.58 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 0.95 0.54 2.92 0.00 0.76 -1.32 103.07 106.92 1wgd h GLY 33 Ca 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1wgd h GLY 33 CO -0.95 0.22 -0.16 0.84 0.00 0.00 0.00 176.54 176.49 1wgd h HIS 34 N 0.75 -0.40 -0.98 5.60 6.17 0.18 -3.23 115.15 123.24 1wgd h HIS 34 Ca 0.27 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.49 1wgd h HIS 34 Cb 0.08 0.13 -0.15 0.00 2.52 0.00 0.00 27.41 29.99 1wgd h HIS 34 CO -0.06 -0.06 -0.40 -0.11 0.71 0.00 0.00 177.93 178.00 1wgd n LEU 35 N -5.10 -0.68 -0.16 0.26 7.94 0.55 -0.47 117.00 119.34 1wgd n LEU 35 Ca -0.09 1.71 -0.04 0.00 -1.11 0.00 0.00 56.01 56.48 1wgd n LEU 35 Cb 0.27 -0.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.81 1wgd n LEU 35 CO 0.27 -1.52 0.46 0.29 -1.11 0.00 0.00 177.39 175.78 1wgd n LYS 36 N -5.41 -0.17 -0.09 1.96 5.02 -0.51 0.15 118.16 119.10 1wgd n LYS 36 Ca 0.09 1.13 -0.09 0.00 -2.02 0.00 0.00 58.31 57.42 1wgd n LYS 36 Cb 0.38 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.35 -0.32 -0.90 7.82 0.00 -0.81 0.36 119.26 125.06 1wgd h ALA 37 Ca 0.06 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1wgd h ALA 37 Cb 0.16 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1wgd h ALA 37 CO -0.36 -0.80 0.40 1.25 0.00 0.00 0.00 179.25 179.74 1wgd h HIS 38 N -0.32 0.67 0.72 0.00 -0.00 0.11 -0.46 115.15 115.88 1wgd h HIS 38 Ca 0.14 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1wgd h HIS 38 Cb 0.56 -0.16 0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1wgd h HIS 38 CO -0.54 -0.03 -0.35 -0.07 -0.00 0.00 0.00 177.93 176.94 1wgd h LEU 39 N 0.42 -0.82 -1.71 0.26 3.38 0.51 -2.27 115.31 115.07 1wgd h LEU 39 Ca 0.56 0.00 0.51 0.00 0.09 0.00 0.00 57.88 59.04 1wgd h LEU 39 Cb 1.05 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1wgd h LEU 39 CO -0.52 -0.52 1.22 -0.24 0.09 0.00 0.00 178.44 178.48 1wgd n SER 40 N -5.47 0.03 0.00 -0.43 2.88 0.71 0.29 113.62 111.64 1wgd n SER 40 Ca -0.13 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wgd n SER 40 Cb 0.40 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -3.83 0.00 0.19 -1.46 0.63 -0.87 -3.13 116.66 108.20 1wgd n ARG 41 Ca 0.40 0.49 0.18 0.00 -0.92 0.00 0.00 57.85 57.99 1wgd n ARG 41 Cb 1.76 -1.27 0.74 0.00 0.45 0.00 0.00 32.46 34.14 1wgd n ARG 41 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1wgd h VAL 42 N 0.00 0.19 -3.24 5.15 -1.51 -0.55 -3.39 116.25 112.91 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 0.61 -0.05 0.00 -2.13 0.00 0.00 31.29 29.71 1wgd h VAL 42 CO 0.00 0.00 0.54 -0.31 -1.23 0.00 0.00 177.57 176.57 1wgd s TYR 43 N -4.37 3.44 -0.84 5.19 1.51 0.15 -4.97 117.35 117.45 1wgd s TYR 43 Ca -0.04 1.43 -0.25 0.00 -1.01 0.00 0.00 57.07 57.21 1wgd s TYR 43 Cb 0.12 -3.14 0.00 0.00 -0.11 0.00 0.00 41.96 38.84 1wgd s TYR 43 CO 0.41 -0.28 1.64 -1.25 -1.11 0.00 0.00 175.55 174.96 1wgd s PRO 44 N 2.31 3.01 0.00 -1.71 0.04 -1.26 -3.06 135.00 134.33 1wgd s PRO 44 Ca 0.43 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1wgd s PRO 44 Cb -0.17 -4.82 0.00 0.00 0.04 0.00 0.00 34.50 29.55 1wgd s PRO 44 CO 0.13 -2.64 0.00 -0.85 0.04 0.00 0.00 177.00 173.68 1wgd n GLU 45 N 9.05 0.00 -2.53 4.56 0.28 -1.26 -5.01 120.64 125.72 1wgd n GLU 45 Ca 0.26 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.19 1wgd n GLU 45 Cb 0.50 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.40 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 -1.22 0.00 3.44 5.12 -1.17 -5.05 116.66 117.78 1wgd n ARG 46 Ca 0.00 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1wgd n ARG 46 Cb 0.00 -4.11 0.00 0.00 -1.16 0.00 0.00 32.46 27.19 1wgd n ARG 46 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1wgd n PRO 47 N -2.28 0.29 -4.16 5.56 -0.04 -1.26 -5.07 135.00 128.03 1wgd n PRO 47 Ca -0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.13 1wgd n PRO 47 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.43 2.42 0.43 0.54 0.52 -1.26 -4.90 118.95 115.27 1wgd s ARG 48 Ca 0.00 -0.89 0.24 0.00 -0.52 0.00 0.00 55.73 54.55 1wgd s ARG 48 Cb 0.00 -2.47 0.68 0.00 0.52 0.00 0.00 34.95 33.69 1wgd s ARG 48 CO 0.00 0.53 1.72 -1.00 0.02 0.00 0.00 175.30 176.58 1wgd h PRO 49 N 3.51 0.00 0.00 3.54 0.13 -1.92 0.11 132.00 137.38 1wgd h PRO 49 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1wgd h PRO 49 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1wgd h PRO 49 CO 0.57 0.19 -1.09 0.93 -0.23 0.00 0.00 178.00 178.37 1wgd h GLU 50 N 0.00 0.00 0.06 0.86 4.39 -1.95 -3.36 114.58 114.59 1wgd h GLU 50 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1wgd h GLU 50 Cb 0.90 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1wgd h GLU 50 CO 0.02 0.40 -1.09 -0.44 -1.16 0.00 0.00 179.01 176.74 1wgd h ASP 51 N 0.00 0.21 -0.59 1.42 3.32 -1.84 -3.45 116.42 115.49 1wgd h ASP 51 Ca -0.10 -0.79 -0.71 0.00 0.02 0.00 0.00 57.03 55.45 1wgd h ASP 51 Cb 1.53 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.99 1wgd h ASP 51 CO 0.06 1.46 1.39 0.00 -1.72 0.00 0.00 179.24 180.43 1wgd n GLN 52 N -4.19 0.58 -3.00 3.56 6.02 0.38 -4.41 117.38 116.32 1wgd n GLN 52 Ca -0.24 0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.47 1wgd n GLN 52 Cb 0.76 -2.03 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 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 6.23 3.36 -0.28 -1.09 0.52 0.52 -4.89 118.95 123.31 1wgd s ARG 53 Ca 1.15 -0.22 -0.18 0.00 -0.52 0.00 0.00 55.73 55.96 1wgd s ARG 53 Cb -1.14 -3.96 -0.02 0.00 0.52 0.00 0.00 34.95 30.35 1wgd s ARG 53 CO 0.56 -1.13 0.51 -0.51 0.02 0.00 0.00 175.30 174.76 1wgd s LEU 54 N 3.20 4.10 0.04 2.53 1.02 -1.26 -0.12 118.68 128.20 1wgd s LEU 54 Ca 0.28 0.40 0.06 0.00 0.02 0.00 0.00 54.13 54.89 1wgd s LEU 54 Cb -0.13 -2.64 -0.02 0.00 0.02 0.00 0.00 46.19 43.41 1wgd s LEU 54 CO 0.21 -0.33 -0.18 -0.63 0.02 0.00 0.00 176.35 175.44 1wgd s ILE 55 N 2.33 1.44 -0.33 -0.59 1.01 -0.16 0.19 121.20 125.09 1wgd s ILE 55 Ca 0.21 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 1wgd s ILE 55 Cb -0.16 -1.27 0.11 0.00 0.01 0.00 0.00 42.46 41.15 1wgd s ILE 55 CO 0.10 0.13 0.13 -0.47 0.00 0.00 0.00 174.94 174.82 1wgd s TYR 56 N -0.82 1.56 -0.78 3.97 5.04 0.64 0.11 117.35 127.08 1wgd s TYR 56 Ca 0.05 -1.75 -0.01 0.00 -2.44 0.00 0.00 57.07 52.93 1wgd s TYR 56 Cb -0.08 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1wgd s TYR 56 CO 0.02 -0.86 0.09 0.45 -1.34 0.00 0.00 175.55 173.90 1wgd n SER 57 N 4.66 -3.35 0.00 4.32 2.88 -1.26 -2.67 113.62 118.21 1wgd n SER 57 Ca -0.00 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1wgd n SER 57 Cb 0.41 -2.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.36 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 -1.04 2.83 3.62 0.46 0.00 -1.26 -5.00 105.19 104.79 1wgd n GLY 58 Ca -0.09 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1wgd n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgd s LYS 59 N 0.00 3.59 0.31 1.61 1.02 -1.09 -4.95 119.74 120.23 1wgd s LYS 59 Ca 0.00 1.54 -0.29 0.00 0.02 0.00 0.00 55.97 57.24 1wgd s LYS 59 Cb 0.00 -4.11 -0.10 0.00 -0.52 0.00 0.00 37.83 33.10 1wgd s LYS 59 CO 0.00 -1.54 1.32 -1.17 -0.92 0.00 0.00 175.35 173.04 1wgd s LEU 60 N 5.92 4.42 0.40 3.17 2.96 -1.26 -0.26 118.68 134.02 1wgd s LEU 60 Ca 0.75 2.65 -0.03 0.00 -0.22 0.00 0.00 54.13 57.28 1wgd s LEU 60 Cb -0.24 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 1wgd s LEU 60 CO 0.32 -0.55 0.65 -0.76 -1.32 0.00 0.00 176.35 174.69 1wgd s LEU 61 N -1.43 3.85 0.00 -0.68 1.43 0.50 -4.89 118.68 117.46 1wgd s LEU 61 Ca 0.51 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1wgd s LEU 61 Cb -0.40 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1wgd s LEU 61 CO 0.50 -0.40 0.00 0.18 0.23 0.00 0.00 176.35 176.86 1wgd n LEU 62 N -1.85 0.00 0.00 1.79 4.77 -1.26 -4.68 117.00 115.76 1wgd n LEU 62 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1wgd n LEU 62 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1wgd n LEU 62 CO 0.50 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.66 1wgd n ASP 63 N 0.00 0.00 0.12 -1.43 5.75 -1.26 -4.61 116.55 115.12 1wgd n ASP 63 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1wgd n ASP 63 Cb 0.00 0.03 0.08 0.00 -1.03 0.00 0.00 41.12 40.20 1wgd n ASP 63 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1wgd h HIS 64 N 0.00 0.00 -3.24 2.11 2.07 -1.94 0.99 115.15 115.14 1wgd h HIS 64 Ca 0.00 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.94 1wgd h HIS 64 Cb 0.00 0.00 0.15 0.00 2.57 0.00 0.00 27.41 30.13 1wgd h HIS 64 CO 0.00 0.69 0.11 1.04 -3.07 0.00 0.00 177.93 176.69 1wgd n GLN 65 N -3.50 1.14 -3.85 5.12 1.13 -1.26 -4.75 117.38 111.41 1wgd n GLN 65 Ca -0.00 0.42 -0.32 0.00 -1.94 0.00 0.00 57.00 55.16 1wgd n GLN 65 Cb 0.73 -2.06 -0.04 0.00 0.11 0.00 0.00 30.24 28.97 1wgd n GLN 65 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wgd h LEU 67 N 3.21 1.08 -0.58 0.00 3.38 -1.73 -1.98 115.31 118.69 1wgd h LEU 67 Ca -0.46 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.47 1wgd h LEU 67 Cb 1.17 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1wgd h LEU 67 CO 0.73 0.91 -0.43 -0.09 0.09 0.00 0.00 178.44 179.66 1wgd h ARG 68 N 1.18 -0.21 0.29 1.13 1.12 -1.82 1.36 114.38 117.43 1wgd h ARG 68 Ca 0.29 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.16 1wgd h ARG 68 Cb 0.12 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1wgd h ARG 68 CO -0.04 -0.14 -0.14 0.22 -3.11 0.00 0.00 179.97 176.76 1wgd h ASP 69 N -0.22 -0.33 0.00 -3.80 3.58 -1.83 -3.33 116.42 110.48 1wgd h ASP 69 Ca 0.18 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1wgd h ASP 69 Cb 0.56 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1wgd h ASP 69 CO -0.69 -0.13 0.00 0.18 -2.88 0.00 0.00 179.24 175.72 1wgd n LEU 70 N -5.21 0.00 -4.40 2.28 4.77 -0.48 -4.67 117.00 109.29 1wgd n LEU 70 Ca -0.10 0.53 -0.36 0.00 -0.03 0.00 0.00 56.01 56.05 1wgd n LEU 70 Cb 0.21 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1wgd n LEU 70 CO 0.34 -0.03 -0.14 0.18 -1.33 0.00 0.00 177.39 176.42 1wgd n LEU 71 N -0.76 -0.27 0.00 2.23 4.77 0.46 -4.98 117.00 118.44 1wgd n LEU 71 Ca 0.00 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1wgd n LEU 71 Cb 0.00 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1wgd n LEU 71 CO 0.00 -3.57 0.00 -0.81 -1.33 0.00 0.00 177.39 171.68 1wgd n PRO 72 N -0.39 -0.27 -2.71 3.23 -0.04 -1.26 -4.72 135.00 128.84 1wgd n PRO 72 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1wgd n PRO 72 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1wgd n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wgd n LYS 73 N -1.06 1.74 0.17 0.54 5.02 -1.26 -4.89 118.16 118.42 1wgd n LYS 73 Ca 0.00 -3.51 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 1wgd n LYS 73 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1wgd n LYS 73 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1wgd n GLN 74 N -0.42 0.00 -0.65 1.97 0.00 -1.26 -5.14 117.38 111.87 1wgd n GLN 74 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.85 1wgd n GLN 74 Cb 0.81 0.00 0.14 0.00 0.00 0.00 0.00 30.24 31.20 1wgd n GLN 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1wgd n GLU 75 N -3.20 -1.67 -4.77 3.69 -0.58 -1.26 -5.00 120.64 107.85 1wgd n GLU 75 Ca 0.00 -0.48 -0.31 0.00 -0.42 0.00 0.00 57.16 55.95 1wgd n GLU 75 Cb 0.00 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.23 1wgd n GLU 75 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1wgd s LYS 76 N -3.25 2.03 0.33 3.49 1.02 -1.26 -5.00 119.74 117.11 1wgd s LYS 76 Ca 0.45 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1wgd s LYS 76 Cb -0.06 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1wgd s LYS 76 CO 0.52 0.54 0.00 0.54 -0.92 0.00 0.00 175.35 176.03 1wgd n ARG 77 N 1.71 -2.18 -3.80 1.68 1.74 -1.26 -4.98 116.66 109.56 1wgd n ARG 77 Ca -0.16 1.62 -0.13 0.00 -0.77 0.00 0.00 57.85 58.41 1wgd n ARG 77 Cb 0.52 -2.76 -0.09 0.00 -1.02 0.00 0.00 32.46 29.11 1wgd n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wgd s HIS 78 N -3.10 -0.13 -0.35 -1.55 3.76 0.65 -4.95 115.29 109.63 1wgd s HIS 78 Ca 0.00 0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1wgd s HIS 78 Cb 0.00 0.05 0.07 0.00 1.11 0.00 0.00 32.58 33.82 1wgd s HIS 78 CO 0.00 -0.33 0.10 0.08 -0.85 0.00 0.00 174.74 173.75 1wgd s VAL 79 N -1.16 3.24 0.39 -0.90 1.01 -1.26 0.17 120.40 121.89 1wgd s VAL 79 Ca -0.12 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 60.29 1wgd s VAL 79 Cb -0.06 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1wgd s VAL 79 CO 0.03 -0.37 0.54 -0.76 0.00 0.00 0.00 175.10 174.54 1wgd s LEU 80 N 1.23 3.78 -0.34 3.92 2.01 0.51 -4.15 118.68 125.63 1wgd s LEU 80 Ca 0.01 -0.26 -0.00 0.00 0.01 0.00 0.00 54.13 53.89 1wgd s LEU 80 Cb -0.21 -2.74 0.11 0.00 0.01 0.00 0.00 46.19 43.36 1wgd s LEU 80 CO -0.02 -0.63 0.13 -1.00 1.01 0.00 0.00 176.35 175.85 1wgd s HIS 81 N -2.30 1.66 -0.46 0.29 3.76 0.31 0.92 115.29 119.46 1wgd s HIS 81 Ca 0.50 -1.84 -0.20 0.00 -0.15 0.00 0.00 55.06 53.37 1wgd s HIS 81 Cb -0.10 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 31.95 1wgd s HIS 81 CO 0.33 -0.86 0.66 -1.17 -0.85 0.00 0.00 174.74 172.85 1wgd s LEU 82 N 1.36 4.60 -0.24 0.89 2.96 -1.00 -0.99 118.68 126.25 1wgd s LEU 82 Ca 0.12 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1wgd s LEU 82 Cb -0.19 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1wgd s LEU 82 CO -0.19 -0.84 0.26 -0.69 -1.32 0.00 0.00 176.35 173.57 1wgd s VAL 83 N 2.84 5.28 0.16 1.68 1.01 0.83 -4.78 120.40 127.43 1wgd s VAL 83 Ca 0.21 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 1wgd s VAL 83 Cb -0.15 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 1wgd s VAL 83 CO 0.17 0.27 0.76 0.00 0.00 0.00 0.00 175.10 176.30 1wgd s ASN 85 N -1.17 1.32 0.00 0.00 2.47 -1.26 -4.97 114.94 111.33 1wgd s ASN 85 Ca 0.36 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1wgd s ASN 85 Cb -0.23 -0.21 0.00 0.00 -1.45 0.00 0.00 41.25 39.37 1wgd s ASN 85 CO 0.26 -0.25 0.00 1.33 -3.72 0.00 0.00 177.10 174.72 1wgd n VAL 86 N 5.27 0.00 -3.01 -5.21 0.24 -1.26 -4.78 118.33 109.58 1wgd n VAL 86 Ca -0.04 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.09 1wgd n VAL 86 Cb 0.50 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.51 1wgd n VAL 86 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1wgd n LYS 87 N 0.00 0.75 -1.42 7.34 4.81 -1.26 -5.09 118.16 123.29 1wgd n LYS 87 Ca 0.00 -2.61 0.00 0.00 -0.87 0.00 0.00 58.31 54.83 1wgd n LYS 87 Cb 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1wgd n LYS 87 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1wgd n SER 88 N 1.47 -7.68 -4.44 3.14 7.64 -1.26 -5.03 113.62 107.46 1wgd n SER 88 Ca 0.16 1.46 -0.22 0.00 1.01 0.00 0.00 58.87 61.28 1wgd n SER 88 Cb 0.57 -4.36 -0.10 0.00 -1.01 0.00 0.00 64.21 59.31 1wgd n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgd s GLY 89 N -4.43 1.84 -1.23 0.23 0.00 -1.26 -5.05 107.32 97.42 1wgd s GLY 89 Ca 0.00 -1.89 -0.20 0.00 0.00 0.00 0.00 44.72 42.63 1wgd s GLY 89 CO 0.00 -1.88 1.86 -1.55 0.00 0.00 0.00 173.10 171.53 1wgd n PRO 90 N -0.59 2.40 -0.95 2.90 -0.04 -1.26 -4.95 135.00 132.51 1wgd n PRO 90 Ca -0.06 -2.82 -0.35 0.00 -0.04 0.00 0.00 63.50 60.23 1wgd n PRO 90 Cb 0.62 -3.56 0.07 0.00 -0.04 0.00 0.00 33.50 30.60 1wgd n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wgd n SER 91 N 10.83 -4.02 -1.47 3.54 3.41 -1.26 -4.67 113.62 119.99 1wgd n SER 91 Ca 0.47 0.29 0.18 0.00 -0.26 0.00 0.00 58.87 59.55 1wgd n SER 91 Cb 0.46 -0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 63.33 1wgd n SER 91 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wgd n SER 92 N 1.27 -7.98 0.00 4.04 7.64 -1.26 -5.33 113.62 112.00 1wgd n SER 92 Ca 0.03 1.48 0.00 0.00 1.01 0.00 0.00 58.87 61.39 1wgd n SER 92 Cb 0.54 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64