#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgd n SER 2 N 0.00 -1.64 -2.74 1.61 2.88 -1.26 -5.06 113.62 107.42 1wgd n SER 2 Ca 0.00 0.65 -0.04 0.00 -1.33 0.00 0.00 58.87 58.15 1wgd n SER 2 Cb 0.00 1.82 0.02 0.00 -0.75 0.00 0.00 64.21 65.30 1wgd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgd n SER 3 N -3.16 -2.91 0.00 -3.46 7.64 -1.26 -5.13 113.62 105.34 1wgd n SER 3 Ca 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1wgd n SER 3 Cb 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 1wgd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 4 N 2.67 1.29 1.14 0.23 0.00 -1.26 -5.09 105.19 104.17 1wgd n GLY 4 Ca 0.15 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1wgd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgd n SER 5 N 0.00 0.44 -0.16 1.61 3.41 -1.26 -4.80 113.62 112.86 1wgd n SER 5 Ca 0.00 0.08 -0.06 0.00 -0.26 0.00 0.00 58.87 58.64 1wgd n SER 5 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1wgd n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wgd h SER 6 N 0.00 -1.02 0.00 4.04 0.87 -2.04 -3.47 113.55 111.93 1wgd h SER 6 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1wgd h SER 6 Cb 0.48 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1wgd h SER 6 CO 0.00 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 176.61 1wgd n GLY 7 N -1.42 -0.35 3.84 5.77 0.00 -1.26 -4.54 105.19 107.23 1wgd n GLY 7 Ca 0.03 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 2.00 -0.20 1.61 -7.23 -1.24 -4.87 120.40 110.47 1wgd s VAL 8 Ca 0.00 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1wgd s VAL 8 Cb 0.00 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.41 1wgd s VAL 8 CO 0.00 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.74 1wgd s THR 9 N -2.67 2.00 -0.18 5.32 2.01 -1.26 0.19 115.64 121.05 1wgd s THR 9 Ca 0.37 -1.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1wgd s THR 9 Cb -0.00 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1wgd s THR 9 CO 0.21 0.33 0.12 -0.76 -0.69 0.00 0.00 174.62 173.83 1wgd s LEU 10 N 1.26 4.19 -0.46 4.42 1.43 0.25 -1.14 118.68 128.64 1wgd s LEU 10 Ca 0.00 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 1wgd s LEU 10 Cb -0.15 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.06 1wgd s LEU 10 CO -0.10 0.23 0.38 -0.22 0.23 0.00 0.00 176.35 176.87 1wgd s LEU 11 N 0.08 5.44 -0.36 1.79 2.96 0.11 -1.48 118.68 127.22 1wgd s LEU 11 Ca 0.09 -1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 52.53 1wgd s LEU 11 Cb -0.11 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.40 1wgd s LEU 11 CO -0.01 -0.60 1.16 -0.69 -1.32 0.00 0.00 176.35 174.89 1wgd s VAL 12 N 1.71 4.31 0.16 1.68 1.01 0.88 0.16 120.40 130.31 1wgd s VAL 12 Ca 0.05 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1wgd s VAL 12 Cb -0.22 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1wgd s VAL 12 CO 0.08 -0.62 0.12 -0.54 0.00 0.00 0.00 175.10 174.14 1wgd s LYS 13 N 4.04 2.86 -0.66 2.72 1.02 0.70 -1.53 119.74 128.89 1wgd s LYS 13 Ca 0.50 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.63 1wgd s LYS 13 Cb -0.12 -2.63 0.16 0.00 -0.52 0.00 0.00 37.83 34.72 1wgd s LYS 13 CO 0.22 0.49 0.46 0.45 -0.92 0.00 0.00 175.35 176.05 1wgd s SER 14 N -3.01 4.97 -0.38 2.83 0.15 -1.25 -2.79 113.70 114.23 1wgd s SER 14 Ca 0.30 -3.33 -0.05 0.00 0.70 0.00 0.00 55.95 53.57 1wgd s SER 14 Cb -0.10 -1.74 -0.16 0.00 -1.71 0.00 0.00 66.02 62.31 1wgd s SER 14 CO 0.23 -0.22 2.74 -0.81 1.20 0.00 0.00 173.24 176.38 1wgd n PRO 15 N 2.76 1.90 0.00 5.44 -0.04 -1.26 -2.78 135.00 141.02 1wgd n PRO 15 Ca 0.12 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1wgd n PRO 15 Cb 0.35 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1wgd n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1wgd n ASN 16 N 3.03 0.00 -3.61 3.54 6.94 -1.26 -5.02 115.26 118.88 1wgd n ASN 16 Ca 0.41 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.56 1wgd n ASN 16 Cb 0.53 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.93 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wgd n GLN 17 N 0.00 2.59 -2.63 -3.83 1.13 -1.24 -4.64 117.38 108.76 1wgd n GLN 17 Ca 0.00 -2.29 -0.03 0.00 -1.94 0.00 0.00 57.00 52.74 1wgd n GLN 17 Cb 0.00 -3.08 -0.02 0.00 0.11 0.00 0.00 30.24 27.25 1wgd n GLN 17 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1wgd n ARG 18 N 5.86 -3.50 -1.33 -1.09 0.63 -1.26 -4.53 116.66 111.45 1wgd n ARG 18 Ca 0.55 2.67 -0.55 0.00 -0.92 0.00 0.00 57.85 59.60 1wgd n ARG 18 Cb 0.36 -3.55 -0.12 0.00 0.45 0.00 0.00 32.46 29.60 1wgd n ARG 18 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1wgd n HIS 19 N 1.98 1.08 -4.41 -0.14 8.25 -1.12 -4.50 115.22 116.37 1wgd n HIS 19 Ca -0.21 0.63 -0.31 0.00 -0.26 0.00 0.00 57.72 57.57 1wgd n HIS 19 Cb 0.33 -2.34 -0.05 0.00 1.12 0.00 0.00 29.99 29.05 1wgd n HIS 19 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1wgd s ARG 20 N 6.69 2.23 -0.35 -0.41 1.81 -1.26 -4.86 118.95 122.80 1wgd s ARG 20 Ca 1.22 -2.27 0.05 0.00 -1.72 0.00 0.00 55.73 53.01 1wgd s ARG 20 Cb -1.37 -1.76 0.17 0.00 -0.45 0.00 0.00 34.95 31.55 1wgd s ARG 20 CO 0.60 -0.49 0.51 0.16 -0.68 0.00 0.00 175.30 175.40 1wgd s ASP 21 N -4.06 -0.43 -0.33 0.23 1.47 -1.22 -3.78 116.67 108.56 1wgd s ASP 21 Ca 0.16 -0.75 -0.03 0.00 1.18 0.00 0.00 52.55 53.11 1wgd s ASP 21 Cb -0.00 1.42 0.06 0.00 -0.34 0.00 0.00 42.92 44.06 1wgd s ASP 21 CO 0.10 -0.25 0.07 -0.22 0.68 0.00 0.00 175.17 175.54 1wgd s LEU 22 N 2.05 4.30 -0.32 2.11 2.96 -0.58 -4.90 118.68 124.30 1wgd s LEU 22 Ca 0.14 -1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 52.47 1wgd s LEU 22 Cb -0.10 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1wgd s LEU 22 CO -0.14 -0.34 0.44 -1.61 -1.32 0.00 0.00 176.35 173.37 1wgd s GLU 23 N 1.26 3.74 0.36 1.98 2.02 -1.26 -0.09 118.70 126.71 1wgd s GLU 23 Ca -0.01 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1wgd s GLU 23 Cb -0.20 -3.76 -0.05 0.00 0.10 0.00 0.00 34.13 30.22 1wgd s GLU 23 CO -0.01 -0.50 0.09 -0.48 0.02 0.00 0.00 175.26 174.38 1wgd s LEU 24 N 2.20 2.06 0.29 1.80 2.34 -0.55 -4.93 118.68 121.89 1wgd s LEU 24 Ca 0.16 -1.51 -0.29 0.00 0.06 0.00 0.00 54.13 52.56 1wgd s LEU 24 Cb -0.16 -0.24 -0.09 0.00 -0.56 0.00 0.00 46.19 45.13 1wgd s LEU 24 CO 0.12 -0.76 1.06 -0.55 -1.06 0.00 0.00 176.35 175.16 1wgd s SER 25 N -3.53 7.26 -0.38 1.48 0.15 -1.26 -0.59 113.70 116.83 1wgd s SER 25 Ca 0.31 2.17 0.12 0.00 0.70 0.00 0.00 55.95 59.24 1wgd s SER 25 Cb 0.06 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.18 1wgd s SER 25 CO 0.15 -0.14 0.98 0.61 1.20 0.00 0.00 173.24 176.04 1wgd n GLY 26 N 1.10 3.52 3.24 9.45 0.00 0.50 -4.75 105.19 118.25 1wgd n GLY 26 Ca -0.00 -1.93 -0.51 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.18 -0.46 0.19 1.61 2.03 -1.26 -3.70 116.55 114.78 1wgd n ASP 27 Ca 0.22 1.07 0.12 0.00 0.52 0.00 0.00 54.79 56.73 1wgd n ASP 27 Cb 0.72 -0.87 0.64 0.00 -0.72 0.00 0.00 41.12 40.89 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 2.09 0.00 0.00 -0.67 3.08 -1.93 0.22 114.38 117.17 1wgd h ARG 28 Ca -0.39 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.40 1wgd h ARG 28 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1wgd h ARG 28 CO 0.58 0.00 -1.43 0.78 -1.07 0.00 0.00 179.97 178.83 1wgd h GLY 29 N 0.00 0.00 -1.72 0.04 0.00 -1.97 -2.78 103.07 96.64 1wgd h GLY 29 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 47.33 46.85 1wgd h GLY 29 CO 0.00 0.00 -1.60 0.79 0.00 0.00 0.00 176.54 175.74 1wgd n TRP 30 N -3.17 -1.53 -4.64 5.60 7.02 0.77 -4.84 117.44 116.67 1wgd n TRP 30 Ca -0.10 0.30 -0.24 0.00 -1.02 0.00 0.00 57.50 56.44 1wgd n TRP 30 Cb 1.01 -1.51 -0.16 0.00 -2.42 0.00 0.00 31.31 28.22 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 -1.56 1.80 0.09 -0.99 0.01 -1.26 -3.77 113.70 108.02 1wgd s SER 31 Ca 0.49 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.28 1wgd s SER 31 Cb -0.06 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 1wgd s SER 31 CO 0.67 0.08 1.25 0.52 0.41 0.00 0.00 173.24 176.17 1wgd n VAL 32 N 3.47 -0.38 -0.28 3.43 0.31 -1.25 0.21 118.33 123.83 1wgd n VAL 32 Ca -0.20 1.93 0.20 0.00 -0.01 0.00 0.00 64.34 66.26 1wgd n VAL 32 Cb 0.53 -2.44 0.50 0.00 -0.91 0.00 0.00 33.84 31.51 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 1.04 0.46 2.92 0.00 -1.78 -1.47 103.07 104.24 1wgd h GLY 33 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1wgd h GLY 33 CO -0.53 -0.05 -0.17 0.84 0.00 0.00 0.00 176.54 176.64 1wgd h HIS 34 N 0.43 -0.43 -0.96 5.60 6.17 0.17 -3.19 115.15 122.94 1wgd h HIS 34 Ca 0.52 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.68 1wgd h HIS 34 Cb 1.26 0.14 -0.12 0.00 2.52 0.00 0.00 27.41 31.22 1wgd h HIS 34 CO -0.00 -0.13 -0.56 -0.11 0.71 0.00 0.00 177.93 177.84 1wgd n LEU 35 N -5.10 -0.99 -0.39 0.26 7.94 0.55 0.03 117.00 119.31 1wgd n LEU 35 Ca -0.08 1.71 -0.10 0.00 -1.11 0.00 0.00 56.01 56.43 1wgd n LEU 35 Cb 0.25 -0.23 -0.09 0.00 0.53 0.00 0.00 43.42 43.88 1wgd n LEU 35 CO 0.22 -1.40 0.45 0.29 -1.11 0.00 0.00 177.39 175.83 1wgd n LYS 36 N -5.22 -0.41 -0.18 1.96 5.02 -0.65 0.19 118.16 118.88 1wgd n LYS 36 Ca 0.02 1.40 -0.02 0.00 -2.02 0.00 0.00 58.31 57.69 1wgd n LYS 36 Cb 0.26 -2.06 0.05 0.00 -0.02 0.00 0.00 35.03 33.26 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 0.45 0.39 -0.40 7.82 0.00 -0.38 0.29 119.26 127.42 1wgd h ALA 37 Ca 0.15 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1wgd h ALA 37 Cb 0.38 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1wgd h ALA 37 CO -0.87 -0.43 0.23 1.25 0.00 0.00 0.00 179.25 179.44 1wgd h HIS 38 N 0.01 0.44 0.17 0.00 -0.00 0.28 -2.57 115.15 113.48 1wgd h HIS 38 Ca 0.27 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1wgd h HIS 38 Cb 0.41 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1wgd h HIS 38 CO -0.44 0.25 -0.22 -0.07 -0.00 0.00 0.00 177.93 177.45 1wgd h LEU 39 N 0.47 -0.62 -1.88 0.26 3.38 0.46 0.23 115.31 117.62 1wgd h LEU 39 Ca 0.16 0.05 0.54 0.00 0.09 0.00 0.00 57.88 58.73 1wgd h LEU 39 Cb 0.01 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1wgd h LEU 39 CO -0.08 -0.27 1.36 -0.24 0.09 0.00 0.00 178.44 179.30 1wgd n SER 40 N -3.67 0.00 0.04 -0.43 2.88 0.75 0.17 113.62 113.35 1wgd n SER 40 Ca -0.05 0.95 -0.11 0.00 -1.33 0.00 0.00 58.87 58.32 1wgd n SER 40 Cb 0.19 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 1wgd n SER 40 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1wgd h ARG 41 N 0.00 -0.17 0.00 -1.46 1.12 -0.58 -3.14 114.38 110.14 1wgd h ARG 41 Ca 0.89 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.77 1wgd h ARG 41 Cb 3.61 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 33.61 1wgd h ARG 41 CO -0.01 0.29 0.00 -0.39 -3.11 0.00 0.00 179.97 176.75 1wgd h VAL 42 N -0.80 0.00 -3.35 0.20 -1.51 0.29 -3.43 116.25 107.66 1wgd h VAL 42 Ca -0.02 -0.47 -0.57 0.00 -1.23 0.00 0.00 66.70 64.41 1wgd h VAL 42 Cb 0.54 1.39 -0.06 0.00 -2.13 0.00 0.00 31.29 31.03 1wgd h VAL 42 CO 0.03 0.00 0.24 -0.47 -1.23 0.00 0.00 177.57 176.14 1wgd s TYR 43 N -3.51 3.49 -0.79 5.19 5.04 0.43 -4.99 117.35 122.21 1wgd s TYR 43 Ca 0.03 1.24 -0.26 0.00 -2.44 0.00 0.00 57.07 55.64 1wgd s TYR 43 Cb 0.09 -2.92 0.00 0.00 0.35 0.00 0.00 41.96 39.49 1wgd s TYR 43 CO 0.51 -0.10 1.62 -1.25 -1.34 0.00 0.00 175.55 174.99 1wgd s PRO 44 N 1.56 2.98 0.00 4.97 0.04 -1.26 -3.07 135.00 140.21 1wgd s PRO 44 Ca 0.38 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1wgd s PRO 44 Cb -0.17 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.71 1wgd s PRO 44 CO 0.15 -2.58 0.00 -0.85 0.04 0.00 0.00 177.00 173.76 1wgd n GLU 45 N 9.12 0.00 -2.51 4.56 0.28 -1.26 -5.01 120.64 125.81 1wgd n GLU 45 Ca 0.22 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.16 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 -1.16 0.00 3.44 5.12 -1.18 -5.05 116.66 117.84 1wgd n ARG 46 Ca 0.00 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 1wgd n ARG 46 Cb 0.00 -4.10 0.00 0.00 -1.16 0.00 0.00 32.46 27.20 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 -2.16 0.71 -4.31 5.56 -0.04 -1.26 -5.08 135.00 128.41 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 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.59 2.24 0.45 0.54 0.52 -1.26 -4.92 118.95 115.92 1wgd s ARG 48 Ca 0.00 -0.95 0.25 0.00 -0.52 0.00 0.00 55.73 54.51 1wgd s ARG 48 Cb 0.00 -2.35 0.74 0.00 0.52 0.00 0.00 34.95 33.86 1wgd s ARG 48 CO 0.00 0.53 1.75 -1.00 0.02 0.00 0.00 175.30 176.60 1wgd h PRO 49 N 3.88 0.00 0.00 3.54 0.13 -1.92 0.24 132.00 137.86 1wgd h PRO 49 Ca -0.49 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.40 1wgd h PRO 49 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1wgd h PRO 49 CO 0.52 0.13 -1.42 0.93 -0.23 0.00 0.00 178.00 177.94 1wgd h GLU 50 N 0.00 0.00 0.07 0.86 5.08 -1.95 -3.37 114.58 115.27 1wgd h GLU 50 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1wgd h GLU 50 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1wgd h GLU 50 CO 0.02 0.58 -0.96 -0.44 -1.00 0.00 0.00 179.01 177.21 1wgd h ASP 51 N 0.00 0.22 -0.42 1.42 5.19 -1.87 -3.45 116.42 117.51 1wgd h ASP 51 Ca -0.18 -0.83 -0.66 0.00 -0.62 0.00 0.00 57.03 54.73 1wgd h ASP 51 Cb 1.85 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 41.24 1wgd h ASP 51 CO 0.08 1.41 1.46 0.00 -3.12 0.00 0.00 179.24 179.08 1wgd n GLN 52 N -4.23 0.38 -3.13 3.56 6.02 0.82 -4.16 117.38 116.65 1wgd n GLN 52 Ca -0.21 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.44 1wgd n GLN 52 Cb 0.74 -1.91 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 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 6.84 3.54 -0.39 -1.09 0.52 0.29 -4.90 118.95 123.76 1wgd s ARG 53 Ca 1.19 -0.12 -0.18 0.00 -0.52 0.00 0.00 55.73 56.10 1wgd s ARG 53 Cb -1.18 -3.86 0.01 0.00 0.52 0.00 0.00 34.95 30.45 1wgd s ARG 53 CO 0.55 -0.81 0.48 -0.51 0.02 0.00 0.00 175.30 175.03 1wgd s LEU 54 N 2.70 4.57 -0.21 2.53 1.02 -1.26 0.14 118.68 128.16 1wgd s LEU 54 Ca 0.23 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 54.05 1wgd s LEU 54 Cb -0.14 -2.50 0.04 0.00 0.02 0.00 0.00 46.19 43.60 1wgd s LEU 54 CO 0.16 -0.54 -0.16 -0.63 0.02 0.00 0.00 176.35 175.20 1wgd s ILE 55 N 2.31 2.16 -1.44 -0.59 1.09 0.16 -0.71 121.20 124.18 1wgd s ILE 55 Ca 0.16 -1.21 0.26 0.00 -1.10 0.00 0.00 60.65 58.76 1wgd s ILE 55 Cb -0.16 -2.06 0.17 0.00 -1.06 0.00 0.00 42.46 39.35 1wgd s ILE 55 CO 0.14 0.30 1.53 0.00 -0.10 0.00 0.00 174.94 176.81 1wgd n TYR 56 N 4.55 0.00 0.00 3.97 4.19 -1.19 0.19 117.16 128.88 1wgd n TYR 56 Ca -0.18 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.03 1wgd n TYR 56 Cb 0.47 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 40.12 1wgd n TYR 56 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1wgd n SER 57 N -1.01 0.00 -1.88 2.98 7.64 -1.26 -4.79 113.62 115.29 1wgd n SER 57 Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 1wgd n SER 57 Cb 0.34 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1wgd n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 58 N 0.00 -0.15 2.86 0.23 0.00 -1.26 -4.81 105.19 102.07 1wgd n GLY 58 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.82 0.38 0.62 1.61 -2.85 -1.26 -5.14 119.74 109.27 1wgd s LYS 59 Ca 0.00 0.10 -0.19 0.00 -1.00 0.00 0.00 55.97 54.88 1wgd s LYS 59 Cb 0.00 -0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 35.30 1wgd s LYS 59 CO 0.00 -0.98 1.27 -1.17 0.10 0.00 0.00 175.35 174.57 1wgd s LEU 60 N 2.49 3.63 0.52 2.77 2.96 -1.26 -3.15 118.68 126.64 1wgd s LEU 60 Ca 0.10 2.57 -0.01 0.00 -0.22 0.00 0.00 54.13 56.57 1wgd s LEU 60 Cb -0.13 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.00 1wgd s LEU 60 CO -0.29 -1.83 0.76 -0.76 -1.32 0.00 0.00 176.35 172.91 1wgd s LEU 61 N -4.18 3.42 0.29 -0.68 1.43 0.11 -4.94 118.68 114.13 1wgd s LEU 61 Ca 0.80 0.26 0.10 0.00 -1.03 0.00 0.00 54.13 54.26 1wgd s LEU 61 Cb -0.36 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 1wgd s LEU 61 CO 0.38 -0.95 -0.03 -0.76 0.23 0.00 0.00 176.35 175.23 1wgd s LEU 62 N -4.72 3.04 0.17 1.79 1.43 -1.26 -4.86 118.68 114.27 1wgd s LEU 62 Ca 0.53 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1wgd s LEU 62 Cb -0.10 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1wgd s LEU 62 CO 0.39 -0.06 1.40 0.44 0.23 0.00 0.00 176.35 178.75 1wgd h ASP 63 N 1.92 0.20 -0.31 2.29 5.19 -1.98 -3.27 116.42 120.46 1wgd h ASP 63 Ca -0.43 -0.16 -0.32 0.00 -0.62 0.00 0.00 57.03 55.50 1wgd h ASP 63 Cb 1.25 -0.06 -0.09 0.00 0.18 0.00 0.00 39.33 40.61 1wgd h ASP 63 CO 0.62 0.96 0.21 0.00 -3.12 0.00 0.00 179.24 177.91 1wgd n HIS 64 N -3.65 0.67 -3.96 4.55 1.44 -1.26 -4.38 115.22 108.63 1wgd n HIS 64 Ca -0.03 -1.77 -0.10 0.00 -2.01 0.00 0.00 57.72 53.81 1wgd n HIS 64 Cb 0.79 -1.62 -0.07 0.00 0.12 0.00 0.00 29.99 29.22 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 0.32 1.21 0.06 -1.40 -0.21 -1.23 -5.14 119.66 113.27 1wgd s GLN 65 Ca 0.65 -1.18 0.09 0.00 0.02 0.00 0.00 55.36 54.94 1wgd s GLN 65 Cb 0.32 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.69 1wgd s GLN 65 CO -0.06 -0.45 -0.24 0.00 -2.12 0.00 0.00 175.29 172.41 1wgd h LEU 67 N 4.65 0.22 -0.08 0.00 3.38 -1.65 0.13 115.31 121.97 1wgd h LEU 67 Ca -0.46 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1wgd h LEU 67 Cb 1.15 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wgd h LEU 67 CO 0.43 0.15 -0.05 -0.09 0.09 0.00 0.00 178.44 178.97 1wgd h ARG 68 N 0.39 -0.00 0.34 1.13 2.43 -1.78 0.91 114.38 117.80 1wgd h ARG 68 Ca 0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1wgd h ARG 68 Cb 0.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1wgd h ARG 68 CO -0.24 -0.00 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.46 1wgd h ASP 69 N -0.00 -0.86 0.00 -3.80 3.32 -1.83 -3.15 116.42 110.09 1wgd h ASP 69 Ca 0.01 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1wgd h ASP 69 Cb 0.03 0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1wgd h ASP 69 CO -0.07 -0.46 0.00 0.18 -1.72 0.00 0.00 179.24 177.17 1wgd n LEU 70 N -5.44 0.00 -4.76 1.55 4.77 0.02 -4.36 117.00 108.78 1wgd n LEU 70 Ca -0.10 0.82 -0.39 0.00 -0.03 0.00 0.00 56.01 56.31 1wgd n LEU 70 Cb 0.34 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1wgd n LEU 70 CO 0.29 -0.33 0.94 -0.76 -1.33 0.00 0.00 177.39 176.20 1wgd s LEU 71 N -4.70 4.11 0.69 2.23 1.43 0.31 -4.99 118.68 117.75 1wgd s LEU 71 Ca 0.00 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 1wgd s LEU 71 Cb 0.00 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1wgd s LEU 71 CO 0.00 -1.00 1.06 -2.16 0.23 0.00 0.00 176.35 174.48 1wgd s PRO 72 N -2.45 2.97 -0.88 1.29 0.04 -1.26 -4.73 135.00 129.97 1wgd s PRO 72 Ca 0.61 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 1wgd s PRO 72 Cb -0.37 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.40 1wgd s PRO 72 CO 0.46 -1.08 0.77 0.15 0.04 0.00 0.00 177.00 177.34 1wgd s LYS 73 N -5.00 3.26 0.00 4.56 1.02 -1.26 -4.59 119.74 117.73 1wgd s LYS 73 Ca 0.58 -3.22 0.00 0.00 0.02 0.00 0.00 55.97 53.36 1wgd s LYS 73 Cb -0.14 -3.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.20 1wgd s LYS 73 CO 0.54 -1.26 0.00 0.94 -0.92 0.00 0.00 175.35 174.65 1wgd n GLN 74 N 2.44 0.00 -0.88 1.68 7.27 -1.26 -5.15 117.38 121.49 1wgd n GLN 74 Ca 0.20 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.99 1wgd n GLN 74 Cb 0.37 0.00 0.20 0.00 2.41 0.00 0.00 30.24 33.22 1wgd n GLN 74 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1wgd s GLU 75 N 0.00 0.01 -0.12 3.69 2.12 -1.26 -5.02 118.70 118.13 1wgd s GLU 75 Ca 0.00 0.78 -0.06 0.00 0.36 0.00 0.00 54.97 56.04 1wgd s GLU 75 Cb 0.00 -1.67 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 1wgd s GLU 75 CO 0.00 -3.08 0.12 -1.59 -0.54 0.00 0.00 175.26 170.18 1wgd s LYS 76 N -4.72 3.40 0.25 4.30 0.00 -1.26 -4.99 119.74 116.73 1wgd s LYS 76 Ca 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 55.97 56.47 1wgd s LYS 76 Cb -0.21 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.47 1wgd s LYS 76 CO 0.60 0.76 0.00 0.54 0.00 0.00 0.00 175.35 177.26 1wgd n ARG 77 N 2.03 -1.22 -3.71 1.78 1.74 -1.26 -4.95 116.66 111.07 1wgd n ARG 77 Ca -0.20 0.80 -0.14 0.00 -0.77 0.00 0.00 57.85 57.55 1wgd n ARG 77 Cb 0.55 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.39 -0.32 -0.24 -1.55 3.76 -0.29 -4.95 115.29 110.30 1wgd s HIS 78 Ca 0.00 0.57 -0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1wgd s HIS 78 Cb 0.00 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1wgd s HIS 78 CO 0.00 -0.41 -0.02 0.08 -0.85 0.00 0.00 174.74 173.54 1wgd s VAL 79 N -1.06 3.41 0.46 -0.90 1.01 -1.26 0.05 120.40 122.11 1wgd s VAL 79 Ca -0.11 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1wgd s VAL 79 Cb -0.04 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 1wgd s VAL 79 CO 0.05 0.30 0.38 -0.76 0.00 0.00 0.00 175.10 175.07 1wgd s LEU 80 N 1.45 3.15 -0.30 3.92 2.01 0.43 -4.68 118.68 124.67 1wgd s LEU 80 Ca 0.04 -0.93 -0.03 0.00 0.01 0.00 0.00 54.13 53.22 1wgd s LEU 80 Cb -0.15 -1.71 0.10 0.00 0.01 0.00 0.00 46.19 44.44 1wgd s LEU 80 CO -0.02 -0.80 0.12 -1.00 1.01 0.00 0.00 176.35 175.67 1wgd s HIS 81 N -2.58 0.78 -0.76 0.29 3.76 0.52 -0.21 115.29 117.09 1wgd s HIS 81 Ca 0.44 -1.18 -0.21 0.00 -0.15 0.00 0.00 55.06 53.96 1wgd s HIS 81 Cb -0.02 -1.17 0.09 0.00 1.11 0.00 0.00 32.58 32.60 1wgd s HIS 81 CO 0.26 -0.84 1.01 -1.17 -0.85 0.00 0.00 174.74 173.15 1wgd s LEU 82 N 1.91 4.68 -0.16 0.89 2.96 -1.12 0.40 118.68 128.24 1wgd s LEU 82 Ca 0.10 -1.41 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 1wgd s LEU 82 Cb -0.17 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1wgd s LEU 82 CO -0.32 -1.28 0.48 -0.69 -1.32 0.00 0.00 176.35 173.21 1wgd s VAL 83 N 3.49 5.17 0.25 1.68 1.01 0.36 -4.80 120.40 127.57 1wgd s VAL 83 Ca 0.26 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 62.97 1wgd s VAL 83 Cb -0.13 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1wgd s VAL 83 CO 0.02 0.27 0.72 0.00 0.00 0.00 0.00 175.10 176.11 1wgd s ASN 85 N -1.88 3.29 -0.61 0.00 -0.87 -1.26 -4.92 114.94 108.68 1wgd s ASN 85 Ca 0.47 -0.89 -0.02 0.00 -1.57 0.00 0.00 52.86 50.84 1wgd s ASN 85 Cb -0.14 -1.03 0.26 0.00 -0.02 0.00 0.00 41.25 40.32 1wgd s ASN 85 CO 0.20 -0.21 2.27 0.52 -2.57 0.00 0.00 177.10 177.31 1wgd n VAL 86 N 4.79 3.40 -1.87 1.60 0.31 -1.26 -4.87 118.33 120.43 1wgd n VAL 86 Ca -0.12 -3.24 -0.41 0.00 -0.01 0.00 0.00 64.34 60.56 1wgd n VAL 86 Cb 0.46 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.94 4.17 0.00 5.55 2.20 -1.26 -5.01 119.74 122.45 1wgd s LYS 87 Ca 0.54 2.49 0.05 0.00 -0.36 0.00 0.00 55.97 58.69 1wgd s LYS 87 Cb 0.41 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1wgd s LYS 87 CO -0.22 -0.50 -0.16 0.45 -0.36 0.00 0.00 175.35 174.56 1wgd s SER 88 N 0.08 1.92 0.26 1.43 0.15 -1.26 -5.15 113.70 111.14 1wgd s SER 88 Ca 0.56 -0.34 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 1wgd s SER 88 Cb -0.45 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.65 1wgd s SER 88 CO 0.54 0.17 0.44 -0.83 1.20 0.00 0.00 173.24 174.77 1wgd s GLY 89 N -0.57 0.77 -0.08 9.45 0.00 -1.26 -5.08 107.32 110.55 1wgd s GLY 89 Ca 0.06 -1.06 -0.22 0.00 0.00 0.00 0.00 44.72 43.49 1wgd s GLY 89 CO -0.00 -0.77 0.83 -0.56 0.00 0.00 0.00 173.10 172.60 1wgd h PRO 90 N 2.27 -0.10 -5.17 2.90 0.13 -2.04 -3.50 132.00 126.50 1wgd h PRO 90 Ca -0.28 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1wgd h PRO 90 Cb 1.25 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 1wgd h PRO 90 CO 0.38 0.46 -1.30 0.45 -0.23 0.00 0.00 178.00 177.76 1wgd n SER 91 N -4.81 -3.49 0.10 1.44 2.88 -1.26 -4.98 113.62 103.49 1wgd n SER 91 Ca -0.08 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1wgd n SER 91 Cb 0.30 -4.94 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 1wgd n SER 91 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wgd n SER 92 N 1.43 -1.76 0.00 -3.46 3.41 -1.26 -5.34 113.62 106.64 1wgd n SER 92 Ca -0.25 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1wgd n SER 92 Cb 0.41 1.86 0.00 0.00 -0.26 0.00 0.00 64.21 66.22 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49