#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 5.19 -0.34 1.61 0.15 -1.26 -5.10 113.70 113.95 1wgd s SER 2 Ca 0.00 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1wgd s SER 2 Cb 0.00 -1.22 0.11 0.00 -1.71 0.00 0.00 66.02 63.20 1wgd s SER 2 CO 0.00 -0.01 0.15 -0.55 1.20 0.00 0.00 173.24 174.04 1wgd s SER 3 N -3.64 3.67 0.27 5.45 0.15 -1.26 -4.93 113.70 113.41 1wgd s SER 3 Ca 0.32 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1wgd s SER 3 Cb -0.08 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1wgd s SER 3 CO 0.23 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wgd n GLY 4 N 4.51 -0.63 3.05 9.45 0.00 -1.26 -5.10 105.19 115.20 1wgd n GLY 4 Ca 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1wgd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgd n SER 5 N -3.27 -7.26 -3.37 1.61 7.64 -1.26 -5.01 113.62 102.69 1wgd n SER 5 Ca 0.00 0.31 -0.21 0.00 1.01 0.00 0.00 58.87 59.98 1wgd n SER 5 Cb 0.00 -4.36 -0.09 0.00 -1.01 0.00 0.00 64.21 58.75 1wgd n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgd s SER 6 N -2.33 1.61 0.00 6.43 0.15 -1.26 -5.11 113.70 113.19 1wgd s SER 6 Ca 0.27 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 55.01 1wgd s SER 6 Cb -0.06 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wgd s SER 6 CO 0.80 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.59 1wgd n GLY 7 N 3.99 -0.61 3.76 9.45 0.00 -1.26 -4.59 105.19 115.94 1wgd n GLY 7 Ca 0.14 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.32 2.67 -0.33 1.61 -7.23 -1.25 -4.83 120.40 107.72 1wgd s VAL 8 Ca 0.00 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1wgd s VAL 8 Cb 0.00 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1wgd s VAL 8 CO 0.00 -0.08 0.17 -0.89 -0.31 0.00 0.00 175.10 173.99 1wgd s THR 9 N -2.50 4.55 -0.27 5.32 2.01 -1.26 0.19 115.64 123.68 1wgd s THR 9 Ca 0.41 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 1wgd s THR 9 Cb -0.00 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1wgd s THR 9 CO 0.24 -0.05 0.26 -0.76 -0.69 0.00 0.00 174.62 173.62 1wgd s LEU 10 N 1.58 4.05 -0.57 4.42 1.43 0.16 0.84 118.68 130.58 1wgd s LEU 10 Ca 0.03 0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 1wgd s LEU 10 Cb -0.18 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 43.89 1wgd s LEU 10 CO 0.06 -0.08 0.70 -0.76 0.23 0.00 0.00 176.35 176.50 1wgd s LEU 11 N 1.73 5.24 -0.86 1.79 1.43 0.52 -1.84 118.68 126.69 1wgd s LEU 11 Ca 0.11 -1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 51.68 1wgd s LEU 11 Cb -0.15 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1wgd s LEU 11 CO 0.10 -1.07 1.50 -0.69 0.23 0.00 0.00 176.35 176.42 1wgd s VAL 12 N 2.73 3.72 0.45 -1.59 1.01 0.92 0.18 120.40 127.83 1wgd s VAL 12 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1wgd s VAL 12 Cb -0.23 -4.75 -0.00 0.00 0.00 0.00 0.00 36.38 31.41 1wgd s VAL 12 CO 0.08 -1.67 0.66 -0.54 0.00 0.00 0.00 175.10 173.63 1wgd s LYS 13 N 5.74 3.03 -0.27 2.72 1.02 0.23 -2.88 119.74 129.33 1wgd s LYS 13 Ca 0.48 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.89 1wgd s LYS 13 Cb -0.05 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1wgd s LYS 13 CO 0.03 -0.27 -0.04 -1.12 -0.92 0.00 0.00 175.35 173.03 1wgd s SER 14 N -4.23 4.56 -1.16 2.83 0.01 -1.26 -3.16 113.70 111.29 1wgd s SER 14 Ca 0.49 -1.12 -0.13 0.00 1.31 0.00 0.00 55.95 56.50 1wgd s SER 14 Cb -0.10 -1.66 -0.07 0.00 0.21 0.00 0.00 66.02 64.40 1wgd s SER 14 CO 0.37 -0.19 2.28 -0.81 0.41 0.00 0.00 173.24 175.30 1wgd n PRO 15 N 4.61 2.46 0.05 12.44 -0.04 -1.26 -3.66 135.00 149.60 1wgd n PRO 15 Ca -0.15 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1wgd n PRO 15 Cb 0.45 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1wgd n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wgd n ASN 16 N 5.33 0.08 0.05 3.54 5.15 -1.26 -5.08 115.26 123.07 1wgd n ASN 16 Ca 0.55 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.68 1wgd n ASN 16 Cb 0.28 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wgd n GLN 17 N -2.98 0.00 -2.65 1.20 1.13 -1.24 -5.03 117.38 107.81 1wgd n GLN 17 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1wgd n GLN 17 Cb 0.09 0.00 0.09 0.00 0.11 0.00 0.00 30.24 30.53 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wgd n ARG 18 N -2.81 0.05 0.02 -1.09 1.74 -1.26 -5.07 116.66 108.23 1wgd n ARG 18 Ca 0.00 -0.56 -0.01 0.00 -0.77 0.00 0.00 57.85 56.51 1wgd n ARG 18 Cb 0.00 -0.04 -0.00 0.00 -1.02 0.00 0.00 32.46 31.40 1wgd n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1wgd h HIS 19 N 1.83 -0.04 0.00 -1.55 2.76 -1.96 -3.49 115.15 112.70 1wgd h HIS 19 Ca -0.41 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1wgd h HIS 19 Cb 1.23 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1wgd h HIS 19 CO -0.21 -0.02 0.00 2.89 -1.30 0.00 0.00 177.93 179.28 1wgd n ARG 20 N -2.15 0.00 -4.42 5.26 0.00 -1.26 -5.08 116.66 109.01 1wgd n ARG 20 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.50 1wgd n ARG 20 Cb 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.36 1wgd n ARG 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1wgd s ASP 21 N 0.00 4.90 -0.17 2.89 1.11 -1.26 -4.15 116.67 119.98 1wgd s ASP 21 Ca 0.00 -0.04 -0.01 0.00 0.18 0.00 0.00 52.55 52.68 1wgd s ASP 21 Cb 0.00 -1.60 0.05 0.00 1.07 0.00 0.00 42.92 42.44 1wgd s ASP 21 CO 0.00 0.25 -0.01 -0.22 1.18 0.00 0.00 175.17 176.37 1wgd s LEU 22 N -0.14 1.45 -0.26 1.23 2.96 -1.14 -4.97 118.68 117.82 1wgd s LEU 22 Ca 0.03 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 1wgd s LEU 22 Cb -0.13 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.75 1wgd s LEU 22 CO 0.02 -0.24 0.16 -1.61 -1.32 0.00 0.00 176.35 173.37 1wgd s GLU 23 N 1.73 3.98 0.05 1.98 8.01 -1.26 -0.05 118.70 133.14 1wgd s GLU 23 Ca -0.00 -0.31 -0.02 0.00 0.01 0.00 0.00 54.97 54.65 1wgd s GLU 23 Cb -0.16 -3.57 -0.04 0.00 -4.31 0.00 0.00 34.13 26.05 1wgd s GLU 23 CO -0.07 -0.07 -0.01 -0.48 0.01 0.00 0.00 175.26 174.64 1wgd s LEU 24 N 1.41 2.39 0.77 1.80 2.34 -0.77 -4.94 118.68 121.69 1wgd s LEU 24 Ca 0.07 -0.98 -0.14 0.00 0.06 0.00 0.00 54.13 53.14 1wgd s LEU 24 Cb -0.15 0.27 0.06 0.00 -0.56 0.00 0.00 46.19 45.81 1wgd s LEU 24 CO 0.07 -0.61 1.20 -0.94 -1.06 0.00 0.00 176.35 175.01 1wgd s SER 25 N -2.92 3.90 -0.35 1.48 1.04 -1.25 0.36 113.70 115.96 1wgd s SER 25 Ca 0.07 2.33 0.15 0.00 0.48 0.00 0.00 55.95 58.99 1wgd s SER 25 Cb 0.08 -2.59 0.44 0.00 0.10 0.00 0.00 66.02 64.05 1wgd s SER 25 CO -0.10 -2.46 1.11 0.61 0.98 0.00 0.00 173.24 173.38 1wgd n GLY 26 N 0.37 1.46 3.59 7.32 0.00 0.50 -4.60 105.19 113.84 1wgd n GLY 26 Ca 0.13 -0.86 -0.63 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.29 0.57 0.18 1.61 2.03 -1.26 -3.78 116.55 115.61 1wgd n ASP 27 Ca 0.04 1.16 0.15 0.00 0.52 0.00 0.00 54.79 56.67 1wgd n ASP 27 Cb 0.83 -0.89 0.55 0.00 -0.72 0.00 0.00 41.12 40.88 1wgd n ASP 27 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1wgd h ARG 28 N 3.92 0.00 0.02 -0.67 3.08 -1.89 1.53 114.38 120.37 1wgd h ARG 28 Ca -0.47 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.37 1wgd h ARG 28 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1wgd h ARG 28 CO 0.80 0.00 -0.94 0.78 -1.07 0.00 0.00 179.97 179.54 1wgd h GLY 29 N 0.00 0.23 -1.87 0.04 0.00 -1.90 0.30 103.07 99.88 1wgd h GLY 29 Ca 0.13 -0.45 -0.48 0.00 0.00 0.00 0.00 47.33 46.53 1wgd h GLY 29 CO -0.00 0.39 -1.79 0.79 0.00 0.00 0.00 176.54 175.93 1wgd n TRP 30 N -3.63 -1.74 -4.61 5.60 7.02 0.52 -4.66 117.44 115.95 1wgd n TRP 30 Ca -0.04 0.35 -0.24 0.00 -1.02 0.00 0.00 57.50 56.54 1wgd n TRP 30 Cb 0.85 -1.49 -0.16 0.00 -2.42 0.00 0.00 31.31 28.08 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 -1.44 1.78 0.09 -0.99 0.01 -1.26 -2.53 113.70 109.36 1wgd s SER 31 Ca 0.46 -0.30 -0.18 0.00 1.31 0.00 0.00 55.95 57.25 1wgd s SER 31 Cb -0.04 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1wgd s SER 31 CO 0.68 0.06 1.20 0.52 0.41 0.00 0.00 173.24 176.11 1wgd n VAL 32 N 3.65 -0.39 -0.33 3.43 0.31 -1.15 0.22 118.33 124.07 1wgd n VAL 32 Ca -0.22 1.86 0.17 0.00 -0.01 0.00 0.00 64.34 66.15 1wgd n VAL 32 Cb 0.52 -2.35 0.40 0.00 -0.91 0.00 0.00 33.84 31.50 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 1.56 0.51 2.92 0.00 -1.79 -0.98 103.07 105.29 1wgd h GLY 33 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1wgd h GLY 33 CO -0.53 -0.11 -0.20 0.84 0.00 0.00 0.00 176.54 176.54 1wgd h HIS 34 N 0.60 -0.51 -0.95 5.60 6.17 0.18 -3.24 115.15 122.99 1wgd h HIS 34 Ca 0.58 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.79 1wgd h HIS 34 Cb 1.14 0.17 -0.15 0.00 2.52 0.00 0.00 27.41 31.09 1wgd h HIS 34 CO -0.00 -0.23 -0.38 -0.11 0.71 0.00 0.00 177.93 177.92 1wgd n LEU 35 N -5.16 -0.63 -0.10 0.26 7.94 0.59 -0.50 117.00 119.40 1wgd n LEU 35 Ca -0.08 1.66 -0.03 0.00 -1.11 0.00 0.00 56.01 56.45 1wgd n LEU 35 Cb 0.27 -0.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.82 1wgd n LEU 35 CO 0.23 -1.48 0.47 0.29 -1.11 0.00 0.00 177.39 175.78 1wgd n LYS 36 N -5.39 -0.11 -0.29 1.96 5.02 -0.46 0.20 118.16 119.10 1wgd n LYS 36 Ca 0.09 1.07 -0.01 0.00 -2.02 0.00 0.00 58.31 57.44 1wgd n LYS 36 Cb 0.38 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.57 0.20 -0.19 7.82 0.00 -0.82 0.61 119.26 126.31 1wgd h ALA 37 Ca 0.04 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1wgd h ALA 37 Cb 0.10 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1wgd h ALA 37 CO -0.23 -0.57 -0.08 1.25 0.00 0.00 0.00 179.25 179.62 1wgd h HIS 38 N -0.06 -0.18 0.28 0.00 -0.00 0.78 -2.51 115.15 113.45 1wgd h HIS 38 Ca 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1wgd h HIS 38 Cb 0.59 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 1wgd h HIS 38 CO -0.72 -0.13 -0.51 -0.07 -0.00 0.00 0.00 177.93 176.50 1wgd h LEU 39 N -0.05 -1.49 -1.15 0.26 3.38 0.68 0.06 115.31 117.00 1wgd h LEU 39 Ca 0.10 0.14 0.42 0.00 0.09 0.00 0.00 57.88 58.63 1wgd h LEU 39 Cb 0.20 0.53 -0.14 0.00 0.09 0.00 0.00 40.66 41.34 1wgd h LEU 39 CO -0.23 -0.60 0.71 -0.24 0.09 0.00 0.00 178.44 178.17 1wgd n SER 40 N -5.52 0.22 0.00 -0.43 2.88 0.17 0.18 113.62 111.12 1wgd n SER 40 Ca -0.10 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1wgd n SER 40 Cb 0.43 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 -4.65 0.00 0.14 -1.46 0.00 -0.01 -2.41 116.66 108.26 1wgd n ARG 41 Ca 0.36 0.46 0.19 0.00 -0.00 0.00 0.00 57.85 58.85 1wgd n ARG 41 Cb 1.34 -1.42 0.69 0.00 0.00 0.00 0.00 32.46 33.08 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 0.21 -3.33 5.15 -1.51 -0.56 -3.38 116.25 112.83 1wgd h VAL 42 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 66.70 64.88 1wgd h VAL 42 Cb 0.00 0.54 -0.08 0.00 -2.13 0.00 0.00 31.29 29.62 1wgd h VAL 42 CO 0.00 0.00 0.34 -0.31 -1.23 0.00 0.00 177.57 176.37 1wgd s TYR 43 N -4.42 3.38 -0.69 5.19 1.51 0.13 -4.99 117.35 117.45 1wgd s TYR 43 Ca -0.04 1.14 -0.27 0.00 -1.01 0.00 0.00 57.07 56.90 1wgd s TYR 43 Cb 0.13 -2.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.02 1wgd s TYR 43 CO 0.43 -0.26 1.57 -1.25 -1.11 0.00 0.00 175.55 174.93 1wgd s PRO 44 N 2.25 2.93 0.00 -1.71 0.04 -1.26 -3.09 135.00 134.16 1wgd s PRO 44 Ca 0.35 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1wgd s PRO 44 Cb -0.16 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1wgd s PRO 44 CO 0.11 -2.45 0.00 -0.85 0.04 0.00 0.00 177.00 173.85 1wgd n GLU 45 N 9.27 0.00 -2.82 4.56 0.28 -1.26 -4.99 120.64 125.68 1wgd n GLU 45 Ca 0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.01 1wgd n GLU 45 Cb 0.50 0.00 0.05 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 -1.85 -2.47 3.44 5.12 -1.18 -4.96 116.66 114.76 1wgd n ARG 46 Ca 0.00 0.65 -0.42 0.00 -1.93 0.00 0.00 57.85 56.15 1wgd n ARG 46 Cb 0.00 -4.75 -0.03 0.00 -1.16 0.00 0.00 32.46 26.52 1wgd n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wgd s PRO 47 N -4.09 4.48 0.48 5.56 0.04 -1.26 -4.98 135.00 135.23 1wgd s PRO 47 Ca 0.32 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 1wgd s PRO 47 Cb -0.04 -3.34 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 1wgd s PRO 47 CO 0.55 -0.16 0.72 0.54 0.04 0.00 0.00 177.00 178.69 1wgd n ARG 48 N 3.55 0.81 0.23 4.56 1.74 -1.26 -4.63 116.66 121.66 1wgd n ARG 48 Ca 0.07 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1wgd n ARG 48 Cb 0.47 -1.79 0.39 0.00 -1.02 0.00 0.00 32.46 30.50 1wgd n ARG 48 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1wgd h PRO 49 N 0.81 0.00 -0.00 5.56 0.13 -1.93 -1.36 132.00 135.20 1wgd h PRO 49 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wgd h PRO 49 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1wgd h PRO 49 CO 0.52 0.10 -0.16 0.39 -0.23 0.00 0.00 178.00 178.61 1wgd n GLU 50 N -3.17 0.60 -0.10 0.86 -0.58 -1.26 -3.83 120.64 113.16 1wgd n GLU 50 Ca 0.02 -0.24 -0.16 0.00 -0.42 0.00 0.00 57.16 56.36 1wgd n GLU 50 Cb 0.46 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 1wgd n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wgd n ASP 51 N -0.98 2.24 -4.66 1.62 8.00 -1.00 -4.97 116.55 116.80 1wgd n ASP 51 Ca 0.13 -0.02 -0.55 0.00 0.71 0.00 0.00 54.79 55.06 1wgd n ASP 51 Cb 0.30 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 1wgd n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgd n GLN 52 N -3.28 1.12 -3.84 -1.24 6.02 -0.55 -4.12 117.38 111.49 1wgd n GLN 52 Ca -0.36 0.41 -0.36 0.00 -0.01 0.00 0.00 57.00 56.68 1wgd n GLN 52 Cb 0.85 -2.07 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 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 2.17 2.74 -0.17 -1.09 0.52 0.42 -4.94 118.95 118.60 1wgd s ARG 53 Ca 0.92 -1.07 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 1wgd s ARG 53 Cb -1.03 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 31.15 1wgd s ARG 53 CO 0.58 -0.54 0.45 -0.51 0.02 0.00 0.00 175.30 175.30 1wgd s LEU 54 N 1.37 4.20 -0.06 2.53 1.02 -1.26 0.69 118.68 127.17 1wgd s LEU 54 Ca -0.01 0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.82 1wgd s LEU 54 Cb -0.18 -2.63 0.02 0.00 0.02 0.00 0.00 46.19 43.42 1wgd s LEU 54 CO -0.00 -0.07 -0.08 -0.63 0.02 0.00 0.00 176.35 175.59 1wgd s ILE 55 N 1.12 0.85 -0.24 -0.59 1.09 -0.34 -1.05 121.20 122.03 1wgd s ILE 55 Ca 0.23 -0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.49 1wgd s ILE 55 Cb -0.15 -0.81 0.06 0.00 -1.06 0.00 0.00 42.46 40.50 1wgd s ILE 55 CO 0.09 0.29 -0.06 -0.47 -0.10 0.00 0.00 174.94 174.69 1wgd s TYR 56 N 0.84 2.60 0.00 3.97 6.14 0.21 -0.06 117.35 131.05 1wgd s TYR 56 Ca -0.12 -1.91 0.00 0.00 0.64 0.00 0.00 57.07 55.68 1wgd s TYR 56 Cb -0.15 -1.69 0.00 0.00 0.42 0.00 0.00 41.96 40.54 1wgd s TYR 56 CO 0.01 -0.80 0.00 0.45 0.64 0.00 0.00 175.55 175.85 1wgd n SER 57 N 4.61 -1.74 0.00 4.32 2.88 -1.26 -2.75 113.62 119.69 1wgd n SER 57 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wgd n SER 57 Cb 0.43 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.18 1.28 3.72 0.46 0.00 -1.26 -5.07 105.19 102.14 1wgd n GLY 58 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1wgd n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wgd s LYS 59 N 0.00 4.65 0.51 1.61 2.20 -1.11 -4.98 119.74 122.62 1wgd s LYS 59 Ca 0.00 1.44 -0.20 0.00 -0.36 0.00 0.00 55.97 56.85 1wgd s LYS 59 Cb 0.00 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 1wgd s LYS 59 CO 0.00 0.11 1.07 -1.17 -0.36 0.00 0.00 175.35 175.01 1wgd s LEU 60 N 0.38 3.81 0.30 5.43 2.96 -1.26 -0.62 118.68 129.68 1wgd s LEU 60 Ca 0.49 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 1wgd s LEU 60 Cb -0.22 -4.56 -0.03 0.00 0.50 0.00 0.00 46.19 41.87 1wgd s LEU 60 CO 0.29 -0.95 0.46 -0.76 -1.32 0.00 0.00 176.35 174.07 1wgd s LEU 61 N -3.60 4.14 0.11 -0.68 1.43 -0.22 -4.87 118.68 115.00 1wgd s LEU 61 Ca 0.69 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.09 1wgd s LEU 61 Cb -0.19 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1wgd s LEU 61 CO 0.23 -0.21 -0.07 -0.76 0.23 0.00 0.00 176.35 175.76 1wgd s LEU 62 N -4.16 3.14 0.15 1.79 1.43 -1.26 -4.83 118.68 114.94 1wgd s LEU 62 Ca 0.38 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1wgd s LEU 62 Cb -0.09 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1wgd s LEU 62 CO 0.32 0.17 1.52 -0.78 0.23 0.00 0.00 176.35 177.82 1wgd h ASP 63 N 3.49 0.96 0.45 2.29 1.82 -1.97 -1.95 116.42 121.50 1wgd h ASP 63 Ca -0.48 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 55.75 1wgd h ASP 63 Cb 1.17 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.91 1wgd h ASP 63 CO 0.54 1.15 0.00 0.00 -1.61 0.00 0.00 179.24 179.32 1wgd n HIS 64 N -4.16 0.48 -3.17 0.28 1.44 -1.26 -3.99 115.22 104.84 1wgd n HIS 64 Ca -0.01 0.21 -0.39 0.00 -2.01 0.00 0.00 57.72 55.52 1wgd n HIS 64 Cb 0.45 -0.83 -0.06 0.00 0.12 0.00 0.00 29.99 29.67 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 -3.24 4.33 0.19 -1.40 -1.52 -0.73 -5.04 119.66 112.25 1wgd s GLN 65 Ca 0.03 0.84 0.04 0.00 -1.95 0.00 0.00 55.36 54.32 1wgd s GLN 65 Cb 0.08 -3.29 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 1wgd s GLN 65 CO 0.28 0.49 0.29 0.00 -0.25 0.00 0.00 175.29 176.10 1wgd n LEU 67 N -0.91 0.56 -0.00 0.00 4.77 -1.04 -0.99 117.00 119.38 1wgd n LEU 67 Ca -0.08 0.74 -0.16 0.00 -0.03 0.00 0.00 56.01 56.48 1wgd n LEU 67 Cb 0.56 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1wgd n LEU 67 CO 0.46 -0.88 0.27 -0.09 -1.33 0.00 0.00 177.39 175.81 1wgd h ARG 68 N 0.00 0.72 0.00 3.23 9.65 -0.67 -3.13 114.38 124.18 1wgd h ARG 68 Ca 0.00 -0.60 -0.12 0.00 -1.10 0.00 0.00 59.98 58.15 1wgd h ARG 68 Cb 0.05 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1wgd h ARG 68 CO 0.00 1.21 -0.61 0.22 2.80 0.00 0.00 179.97 183.59 1wgd h ASP 69 N 0.48 0.00 -3.33 -3.80 3.58 -1.35 -3.46 116.42 108.54 1wgd h ASP 69 Ca -0.06 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 1wgd h ASP 69 Cb 1.42 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.48 1wgd h ASP 69 CO 0.16 0.58 0.02 0.18 -2.88 0.00 0.00 179.24 177.30 1wgd n LEU 70 N -3.23 0.00 -1.43 2.28 4.77 -0.71 -4.99 117.00 113.69 1wgd n LEU 70 Ca 0.01 -0.26 0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1wgd n LEU 70 Cb 0.77 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1wgd n LEU 70 CO 0.42 -0.57 -0.56 0.18 -1.33 0.00 0.00 177.39 175.52 1wgd n LEU 71 N 0.00 -1.13 -4.79 2.23 4.77 -1.26 -4.90 117.00 111.93 1wgd n LEU 71 Ca 0.02 2.36 -0.29 0.00 -0.03 0.00 0.00 56.01 58.07 1wgd n LEU 71 Cb 0.08 -3.00 0.14 0.00 -2.33 0.00 0.00 43.42 38.31 1wgd n LEU 71 CO 0.05 -1.64 0.72 -2.16 -1.33 0.00 0.00 177.39 173.03 1wgd s PRO 72 N -4.67 1.03 -1.24 3.23 0.04 -1.26 -4.95 135.00 127.18 1wgd s PRO 72 Ca 0.00 0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.22 1wgd s PRO 72 Cb 0.00 -1.83 0.19 0.00 0.04 0.00 0.00 34.50 32.90 1wgd s PRO 72 CO 0.00 -2.26 1.96 0.36 0.04 0.00 0.00 177.00 177.10 1wgd n LYS 73 N -3.80 4.19 -3.63 4.56 2.85 -1.26 -4.86 118.16 116.21 1wgd n LYS 73 Ca 0.07 -3.76 -0.05 0.00 -1.05 0.00 0.00 58.31 53.53 1wgd n LYS 73 Cb 0.59 -2.74 -0.05 0.00 -0.65 0.00 0.00 35.03 32.18 1wgd n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1wgd s GLN 74 N -0.94 0.22 -0.43 -1.58 0.74 -1.26 -5.12 119.66 111.29 1wgd s GLN 74 Ca 0.42 0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.67 1wgd s GLN 74 Cb 0.12 0.10 0.02 0.00 1.10 0.00 0.00 33.01 34.36 1wgd s GLN 74 CO -0.02 -0.05 1.26 -1.83 -0.55 0.00 0.00 175.29 174.10 1wgd s GLU 75 N -0.61 3.69 -0.29 1.67 -1.05 -1.26 -4.94 118.70 115.91 1wgd s GLU 75 Ca 0.06 0.79 -0.24 0.00 -0.15 0.00 0.00 54.97 55.42 1wgd s GLU 75 Cb -0.02 -3.95 0.16 0.00 -0.44 0.00 0.00 34.13 29.87 1wgd s GLU 75 CO -0.08 -1.42 1.22 -1.59 0.95 0.00 0.00 175.26 174.34 1wgd s LYS 76 N 4.61 0.29 0.28 -4.83 -2.85 -1.26 -5.14 119.74 110.83 1wgd s LYS 76 Ca 0.54 0.35 -0.27 0.00 -1.00 0.00 0.00 55.97 55.59 1wgd s LYS 76 Cb -0.11 0.14 -0.15 0.00 -2.06 0.00 0.00 37.83 35.65 1wgd s LYS 76 CO 0.31 -0.04 0.68 0.54 0.10 0.00 0.00 175.35 176.95 1wgd n ARG 77 N 2.00 0.59 -4.36 1.78 1.74 -1.26 -4.78 116.66 112.36 1wgd n ARG 77 Ca -0.12 0.21 -0.31 0.00 -0.77 0.00 0.00 57.85 56.86 1wgd n ARG 77 Cb 0.56 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.13 2.76 -0.33 -1.55 3.76 0.25 -4.99 115.29 114.05 1wgd s HIS 78 Ca 0.62 -0.13 -0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1wgd s HIS 78 Cb -0.78 -1.49 0.08 0.00 1.11 0.00 0.00 32.58 31.50 1wgd s HIS 78 CO 0.58 0.38 0.06 0.08 -0.85 0.00 0.00 174.74 174.99 1wgd s VAL 79 N -1.11 2.85 0.35 -0.90 1.01 -1.26 0.20 120.40 121.54 1wgd s VAL 79 Ca 0.19 -1.78 0.07 0.00 0.00 0.00 0.00 61.98 60.46 1wgd s VAL 79 Cb -0.11 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1wgd s VAL 79 CO 0.11 -0.36 0.46 -0.76 0.00 0.00 0.00 175.10 174.55 1wgd s LEU 80 N 1.14 3.85 -0.34 3.92 2.01 0.49 -4.48 118.68 125.26 1wgd s LEU 80 Ca 0.01 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.87 1wgd s LEU 80 Cb -0.21 -2.65 0.11 0.00 0.01 0.00 0.00 46.19 43.46 1wgd s LEU 80 CO -0.04 -0.49 0.12 -1.00 1.01 0.00 0.00 176.35 175.95 1wgd s HIS 81 N -2.23 2.02 -0.66 0.29 3.76 0.92 0.77 115.29 120.16 1wgd s HIS 81 Ca 0.46 -2.04 -0.22 0.00 -0.15 0.00 0.00 55.06 53.11 1wgd s HIS 81 Cb -0.09 -1.90 0.07 0.00 1.11 0.00 0.00 32.58 31.77 1wgd s HIS 81 CO 0.31 -0.87 0.94 -1.17 -0.85 0.00 0.00 174.74 173.10 1wgd s LEU 82 N 1.26 4.49 -0.04 0.89 2.96 -1.19 -1.20 118.68 125.85 1wgd s LEU 82 Ca 0.12 -1.05 -0.24 0.00 -0.22 0.00 0.00 54.13 52.74 1wgd s LEU 82 Cb -0.19 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1wgd s LEU 82 CO -0.17 -1.41 0.73 -0.69 -1.32 0.00 0.00 176.35 173.48 1wgd s VAL 83 N 3.92 4.97 0.19 1.68 1.01 0.22 -4.83 120.40 127.56 1wgd s VAL 83 Ca 0.21 1.51 -0.20 0.00 0.00 0.00 0.00 61.98 63.50 1wgd s VAL 83 Cb -0.17 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1wgd s VAL 83 CO 0.09 0.28 0.71 0.00 0.00 0.00 0.00 175.10 176.18 1wgd n ASN 85 N 0.96 3.66 -3.68 0.00 5.15 -1.26 -4.77 115.26 115.32 1wgd n ASN 85 Ca -0.04 -2.92 -0.11 0.00 -0.60 0.00 0.00 54.58 50.92 1wgd n ASN 85 Cb 0.51 -0.69 -0.11 0.00 -0.53 0.00 0.00 39.78 38.95 1wgd n ASN 85 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wgd s VAL 86 N -2.14 -0.26 0.14 3.44 0.11 -1.26 -5.09 120.40 115.34 1wgd s VAL 86 Ca 0.36 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 1wgd s VAL 86 Cb 0.30 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1wgd s VAL 86 CO 0.08 0.06 0.25 -0.75 -3.33 0.00 0.00 175.10 171.41 1wgd s LYS 87 N 1.87 3.34 0.03 1.54 2.20 -1.26 -5.12 119.74 122.34 1wgd s LYS 87 Ca -0.06 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1wgd s LYS 87 Cb -0.10 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 1wgd s LYS 87 CO -0.12 0.53 -0.02 0.45 -0.36 0.00 0.00 175.35 175.84 1wgd s SER 88 N -3.09 0.31 0.00 1.43 0.15 -1.26 -5.07 113.70 106.17 1wgd s SER 88 Ca 0.34 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1wgd s SER 88 Cb -0.11 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1wgd s SER 88 CO 0.27 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wgd n GLY 89 N 1.05 -1.11 3.02 9.45 0.00 -1.26 -4.75 105.19 111.59 1wgd n GLY 89 Ca -0.20 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 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 2.18 -3.95 1.61 -0.04 -1.26 -4.91 135.00 128.63 1wgd n PRO 90 Ca 0.00 -2.30 -0.32 0.00 -0.04 0.00 0.00 63.50 60.84 1wgd n PRO 90 Cb 0.00 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.24 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 4.32 6.18 1.02 3.54 0.01 -1.26 -5.09 113.70 122.43 1wgd s SER 91 Ca 0.54 0.25 -0.12 0.00 1.31 0.00 0.00 55.95 57.93 1wgd s SER 91 Cb 0.12 -1.88 0.17 0.00 0.21 0.00 0.00 66.02 64.65 1wgd s SER 91 CO 0.03 0.21 0.91 -1.20 0.41 0.00 0.00 173.24 173.60 1wgd n SER 92 N 0.64 -0.88 0.00 2.44 7.64 -1.26 -5.15 113.62 117.06 1wgd n SER 92 Ca -0.08 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wgd n SER 92 Cb 0.52 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64