#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 -0.38 -0.07 1.61 0.01 -1.26 -5.16 113.70 108.45 1wgd s SER 2 Ca 0.00 0.53 -0.01 0.00 1.31 0.00 0.00 55.95 57.78 1wgd s SER 2 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1wgd s SER 2 CO 0.00 -0.27 -0.03 -0.55 0.41 0.00 0.00 173.24 172.80 1wgd s SER 3 N -0.67 1.59 0.72 2.44 0.15 -1.26 -5.09 113.70 111.57 1wgd s SER 3 Ca 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1wgd s SER 3 Cb -0.02 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 1wgd s SER 3 CO -0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wgd n GLY 4 N 4.82 0.88 2.78 9.45 0.00 -1.26 -4.97 105.19 116.89 1wgd n GLY 4 Ca -0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.28 -4.64 0.13 1.61 2.88 -1.26 -4.88 113.62 104.18 1wgd n SER 5 Ca 0.00 1.22 -0.14 0.00 -1.33 0.00 0.00 58.87 58.61 1wgd n SER 5 Cb 0.00 -4.33 -0.08 0.00 -0.75 0.00 0.00 64.21 59.05 1wgd n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wgd h SER 6 N 3.86 -1.33 -5.00 -3.46 0.02 -2.05 -3.49 113.55 102.10 1wgd h SER 6 Ca -0.24 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1wgd h SER 6 Cb 0.66 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1wgd h SER 6 CO 0.04 -0.50 0.00 0.61 -1.14 0.00 0.00 176.83 175.84 1wgd n GLY 7 N -1.43 1.64 3.88 -3.77 0.00 -1.26 -5.02 105.19 99.23 1wgd n GLY 7 Ca -0.08 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.84 4.22 -0.20 1.61 -7.23 -1.26 -4.95 120.40 110.76 1wgd s VAL 8 Ca 0.00 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1wgd s VAL 8 Cb 0.00 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.53 1wgd s VAL 8 CO 0.00 -0.26 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.56 1wgd s THR 9 N -2.17 3.19 -0.21 5.32 2.01 -1.26 -0.82 115.64 121.69 1wgd s THR 9 Ca 0.37 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 1wgd s THR 9 Cb -0.08 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1wgd s THR 9 CO 0.27 0.46 0.03 -0.76 -0.69 0.00 0.00 174.62 173.92 1wgd s LEU 10 N 1.19 3.35 -0.60 4.42 1.43 0.68 -1.25 118.68 127.91 1wgd s LEU 10 Ca 0.02 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1wgd s LEU 10 Cb -0.14 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.33 1wgd s LEU 10 CO -0.02 0.04 0.67 -0.76 0.23 0.00 0.00 176.35 176.50 1wgd s LEU 11 N 1.14 5.68 -0.52 1.79 1.43 0.44 -1.23 118.68 127.41 1wgd s LEU 11 Ca 0.03 -1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 51.22 1wgd s LEU 11 Cb -0.14 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1wgd s LEU 11 CO 0.02 -1.01 1.30 -0.69 0.23 0.00 0.00 176.35 176.19 1wgd s VAL 12 N 2.24 3.96 0.33 -1.59 1.01 0.51 0.19 120.40 127.05 1wgd s VAL 12 Ca 0.10 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.06 1wgd s VAL 12 Cb -0.24 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 1wgd s VAL 12 CO 0.04 -1.09 0.27 -0.54 0.00 0.00 0.00 175.10 173.78 1wgd s LYS 13 N 5.01 2.71 -0.08 2.72 1.02 0.50 -0.87 119.74 130.76 1wgd s LYS 13 Ca 0.51 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1wgd s LYS 13 Cb -0.10 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1wgd s LYS 13 CO 0.28 0.12 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.55 1wgd s SER 14 N -3.97 2.21 -1.04 2.83 0.01 -1.26 -1.99 113.70 110.49 1wgd s SER 14 Ca 0.40 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 57.05 1wgd s SER 14 Cb -0.06 -1.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.16 1wgd s SER 14 CO 0.26 0.07 1.73 -2.16 0.41 0.00 0.00 173.24 173.55 1wgd s PRO 15 N 0.62 3.14 0.00 12.44 0.04 -1.26 -3.15 135.00 146.82 1wgd s PRO 15 Ca -0.15 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1wgd s PRO 15 Cb -0.16 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1wgd s PRO 15 CO 0.05 -2.87 0.00 -1.71 0.04 0.00 0.00 177.00 172.50 1wgd n ASN 16 N 11.35 0.00 -1.65 6.66 2.85 -1.26 -5.07 115.26 128.15 1wgd n ASN 16 Ca 0.40 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1wgd n ASN 16 Cb 0.48 0.00 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 1.67 -2.11 0.00 0.00 177.26 176.82 1wgd n GLN 17 N 0.00 -0.18 0.08 1.20 7.27 -1.19 -5.03 117.38 119.53 1wgd n GLN 17 Ca 0.00 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1wgd n GLN 17 Cb 0.00 -1.94 0.00 0.00 2.41 0.00 0.00 30.24 30.71 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wgd n ARG 18 N -0.83 0.00 -3.46 3.69 1.74 -1.26 -5.09 116.66 111.46 1wgd n ARG 18 Ca 0.01 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1wgd n ARG 18 Cb 0.31 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.68 1wgd n ARG 18 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wgd s HIS 19 N -2.00 3.44 0.92 -1.55 3.76 -1.26 -5.05 115.29 113.55 1wgd s HIS 19 Ca 0.00 0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 55.40 1wgd s HIS 19 Cb 0.00 -2.43 -0.06 0.00 1.11 0.00 0.00 32.58 31.20 1wgd s HIS 19 CO 0.00 0.14 -0.11 0.54 -0.85 0.00 0.00 174.74 174.47 1wgd n ARG 20 N 3.90 -0.09 -1.24 1.40 3.00 -1.26 -4.74 116.66 117.63 1wgd n ARG 20 Ca -0.10 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.43 1wgd n ARG 20 Cb 0.52 -1.46 0.10 0.00 0.00 0.00 0.00 32.46 31.62 1wgd n ARG 20 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1wgd s ASP 21 N -1.48 4.36 -0.16 0.55 -4.77 -1.26 -4.92 116.67 108.99 1wgd s ASP 21 Ca 0.51 1.89 -0.00 0.00 -3.30 0.00 0.00 52.55 51.65 1wgd s ASP 21 Cb -0.23 -2.53 0.04 0.00 -1.09 0.00 0.00 42.92 39.11 1wgd s ASP 21 CO 0.73 -2.13 -0.06 -0.22 0.70 0.00 0.00 175.17 174.18 1wgd s LEU 22 N -5.89 1.59 -0.18 2.11 2.96 -0.05 -4.97 118.68 114.25 1wgd s LEU 22 Ca 0.63 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1wgd s LEU 22 Cb -0.18 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1wgd s LEU 22 CO 0.55 -0.17 0.03 -0.70 -1.32 0.00 0.00 176.35 174.74 1wgd s GLU 23 N 1.63 3.84 0.23 1.98 -6.30 -1.26 0.19 118.70 119.02 1wgd s GLU 23 Ca 0.01 -0.41 -0.01 0.00 -2.50 0.00 0.00 54.97 52.05 1wgd s GLU 23 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 34.13 30.83 1wgd s GLU 23 CO -0.08 0.22 0.22 -0.48 0.02 0.00 0.00 175.26 175.16 1wgd s LEU 24 N 0.49 1.12 0.77 2.70 2.34 -0.37 -4.96 118.68 120.77 1wgd s LEU 24 Ca 0.01 -1.39 -0.11 0.00 0.06 0.00 0.00 54.13 52.71 1wgd s LEU 24 Cb -0.13 0.66 0.06 0.00 -0.56 0.00 0.00 46.19 46.21 1wgd s LEU 24 CO 0.01 -0.94 1.09 -0.55 -1.06 0.00 0.00 176.35 174.91 1wgd s SER 25 N -3.18 4.53 -0.36 1.48 0.15 -1.26 -0.23 113.70 114.83 1wgd s SER 25 Ca 0.37 1.81 0.14 0.00 0.70 0.00 0.00 55.95 58.96 1wgd s SER 25 Cb 0.05 -2.51 0.42 0.00 -1.71 0.00 0.00 66.02 62.27 1wgd s SER 25 CO 0.14 -2.02 1.12 0.61 1.20 0.00 0.00 173.24 174.29 1wgd n GLY 26 N -1.25 1.49 3.52 9.45 0.00 0.00 -4.61 105.19 113.79 1wgd n GLY 26 Ca 0.09 -0.78 -0.59 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.26 0.19 0.30 1.61 2.03 -1.26 -4.27 116.55 114.90 1wgd n ASP 27 Ca 0.05 1.16 0.14 0.00 0.52 0.00 0.00 54.79 56.65 1wgd n ASP 27 Cb 0.82 -0.95 0.69 0.00 -0.72 0.00 0.00 41.12 40.96 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 3.23 0.00 0.04 -0.67 3.08 -1.96 0.96 114.38 119.06 1wgd h ARG 28 Ca -0.50 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.32 1wgd h ARG 28 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1wgd h ARG 28 CO 0.67 0.00 -1.05 0.78 -1.07 0.00 0.00 179.97 179.31 1wgd h GLY 29 N 0.00 0.15 -1.65 0.04 0.00 -1.97 -3.30 103.07 96.33 1wgd h GLY 29 Ca 0.03 -0.34 -0.46 0.00 0.00 0.00 0.00 47.33 46.56 1wgd h GLY 29 CO -0.00 0.30 -1.70 0.79 0.00 0.00 0.00 176.54 175.93 1wgd n TRP 30 N -3.48 -1.38 -4.30 5.60 7.02 0.33 -4.92 117.44 116.31 1wgd n TRP 30 Ca -0.04 0.34 -0.21 0.00 -1.02 0.00 0.00 57.50 56.58 1wgd n TRP 30 Cb 0.93 -1.48 -0.16 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 -1.51 1.12 0.32 -0.99 0.01 -1.26 -4.24 113.70 107.14 1wgd s SER 31 Ca 0.47 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1wgd s SER 31 Cb -0.03 -0.47 0.88 0.00 0.21 0.00 0.00 66.02 66.61 1wgd s SER 31 CO 0.65 -0.00 1.54 0.52 0.41 0.00 0.00 173.24 176.35 1wgd n VAL 32 N 3.76 -0.41 -0.16 3.43 0.31 -1.11 0.20 118.33 124.34 1wgd n VAL 32 Ca -0.23 2.12 -0.09 0.00 -0.01 0.00 0.00 64.34 66.13 1wgd n VAL 32 Cb 0.52 -3.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.28 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 0.81 0.54 2.92 0.00 -1.45 -2.39 103.07 103.50 1wgd h GLY 33 Ca 0.65 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1wgd h GLY 33 CO -0.89 0.48 -0.13 0.84 0.00 0.00 0.00 176.54 176.85 1wgd h HIS 34 N 0.62 -0.33 -0.99 5.60 6.17 0.20 -3.23 115.15 123.20 1wgd h HIS 34 Ca 0.14 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.36 1wgd h HIS 34 Cb 0.35 0.11 -0.15 0.00 2.52 0.00 0.00 27.41 30.23 1wgd h HIS 34 CO 0.02 0.04 -0.41 -0.11 0.71 0.00 0.00 177.93 178.18 1wgd n LEU 35 N -5.06 -0.70 -0.34 0.26 7.94 0.53 -0.02 117.00 119.62 1wgd n LEU 35 Ca -0.09 1.73 -0.09 0.00 -1.11 0.00 0.00 56.01 56.46 1wgd n LEU 35 Cb 0.26 -0.37 -0.08 0.00 0.53 0.00 0.00 43.42 43.76 1wgd n LEU 35 CO 0.28 -1.54 0.46 0.29 -1.11 0.00 0.00 177.39 175.77 1wgd n LYS 36 N -5.43 -0.35 0.02 1.96 5.02 -0.90 0.60 118.16 119.08 1wgd n LYS 36 Ca 0.09 1.36 -0.13 0.00 -2.02 0.00 0.00 58.31 57.61 1wgd n LYS 36 Cb 0.38 -2.00 -0.08 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.26 -0.84 -0.97 7.82 0.00 -0.48 0.14 119.26 125.20 1wgd h ALA 37 Ca 0.13 -0.06 0.31 0.00 0.00 0.00 0.00 54.91 55.29 1wgd h ALA 37 Cb 0.33 0.90 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 1wgd h ALA 37 CO -0.76 -0.98 0.31 1.25 0.00 0.00 0.00 179.25 179.07 1wgd h HIS 38 N -0.51 0.45 0.99 0.00 -0.00 0.23 0.26 115.15 116.57 1wgd h HIS 38 Ca 0.02 0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.39 1wgd h HIS 38 Cb 0.57 -0.04 0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1wgd h HIS 38 CO -0.52 -0.35 -0.48 -0.07 -0.00 0.00 0.00 177.93 176.51 1wgd h LEU 39 N 0.11 -1.13 -1.89 0.26 3.38 0.26 -1.81 115.31 114.49 1wgd h LEU 39 Ca 0.68 0.04 0.55 0.00 0.09 0.00 0.00 57.88 59.24 1wgd h LEU 39 Cb 1.56 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 42.52 1wgd h LEU 39 CO -0.76 -0.80 1.36 -0.24 0.09 0.00 0.00 178.44 178.09 1wgd n SER 40 N -5.60 0.00 0.12 -0.43 2.88 0.83 0.59 113.62 112.00 1wgd n SER 40 Ca -0.17 0.95 -0.05 0.00 -1.33 0.00 0.00 58.87 58.27 1wgd n SER 40 Cb 0.53 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.31 -0.00 -1.46 1.12 -0.60 -3.10 114.38 110.04 1wgd h ARG 41 Ca 0.90 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.79 1wgd h ARG 41 Cb 3.62 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 33.65 1wgd h ARG 41 CO -0.01 -0.20 0.08 -0.39 -3.11 0.00 0.00 179.97 176.33 1wgd h VAL 42 N -0.50 0.02 -3.28 0.20 -1.51 -0.12 -3.40 116.25 107.65 1wgd h VAL 42 Ca -0.03 0.00 -0.58 0.00 -1.23 0.00 0.00 66.70 64.86 1wgd h VAL 42 Cb 0.24 0.92 -0.07 0.00 -2.13 0.00 0.00 31.29 30.26 1wgd h VAL 42 CO 0.05 0.00 0.45 -0.31 -1.23 0.00 0.00 177.57 176.53 1wgd s TYR 43 N -4.16 3.42 -0.76 5.19 1.51 0.20 -4.98 117.35 117.77 1wgd s TYR 43 Ca -0.05 1.31 -0.26 0.00 -1.01 0.00 0.00 57.07 57.06 1wgd s TYR 43 Cb 0.12 -3.06 0.00 0.00 -0.11 0.00 0.00 41.96 38.92 1wgd s TYR 43 CO 0.38 -0.26 1.60 -1.25 -1.11 0.00 0.00 175.55 174.91 1wgd s PRO 44 N 2.24 2.96 0.00 -1.71 0.04 -1.26 -3.07 135.00 134.20 1wgd s PRO 44 Ca 0.40 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1wgd s PRO 44 Cb -0.17 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.84 1wgd s PRO 44 CO 0.12 -2.53 0.00 -0.85 0.04 0.00 0.00 177.00 173.79 1wgd n GLU 45 N 9.18 0.00 -2.33 4.56 0.28 -1.26 -5.00 120.64 126.06 1wgd n GLU 45 Ca 0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.14 1wgd n GLU 45 Cb 0.50 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.39 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 -0.93 -0.00 3.44 5.12 -1.17 -5.05 116.66 118.06 1wgd n ARG 46 Ca 0.00 0.66 -0.00 0.00 -1.93 0.00 0.00 57.85 56.58 1wgd n ARG 46 Cb 0.00 -3.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.65 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 -1.96 -0.50 -4.28 5.56 -0.04 -1.26 -5.07 135.00 127.45 1wgd n PRO 47 Ca -0.02 -0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 1wgd n PRO 47 Cb 0.54 -0.00 -0.09 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 -3.00 2.82 0.45 0.54 0.52 -1.26 -4.89 118.95 114.12 1wgd s ARG 48 Ca 0.00 -0.59 0.25 0.00 -0.52 0.00 0.00 55.73 54.87 1wgd s ARG 48 Cb -0.00 -2.69 0.73 0.00 0.52 0.00 0.00 34.95 33.51 1wgd s ARG 48 CO 0.00 0.63 1.75 -1.00 0.02 0.00 0.00 175.30 176.70 1wgd h PRO 49 N 4.38 0.00 -0.00 3.54 0.13 -1.93 0.45 132.00 138.57 1wgd h PRO 49 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wgd h PRO 49 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wgd h PRO 49 CO 0.57 0.14 -0.17 0.39 -0.23 0.00 0.00 178.00 178.70 1wgd n GLU 50 N -3.19 0.46 -0.04 0.86 -0.58 -1.26 -3.94 120.64 112.93 1wgd n GLU 50 Ca 0.02 -0.17 -0.06 0.00 -0.42 0.00 0.00 57.16 56.52 1wgd n GLU 50 Cb 0.47 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 1wgd n GLU 50 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1wgd n ASP 51 N -1.12 2.88 -4.51 1.62 5.68 -1.00 -4.94 116.55 115.15 1wgd n ASP 51 Ca 0.11 -0.02 -0.31 0.00 -0.50 0.00 0.00 54.79 54.08 1wgd n ASP 51 Cb 0.30 -0.15 -0.17 0.00 -1.14 0.00 0.00 41.12 39.96 1wgd n ASP 51 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wgd n GLN 52 N -2.86 0.13 -2.23 0.11 6.02 0.15 -4.51 117.38 114.20 1wgd n GLN 52 Ca -0.15 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.34 1wgd n GLN 52 Cb 0.65 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 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 8.12 3.44 -0.35 -1.09 0.52 -0.58 -4.88 118.95 124.13 1wgd s ARG 53 Ca 1.28 1.03 -0.19 0.00 -0.52 0.00 0.00 55.73 57.33 1wgd s ARG 53 Cb -0.91 -4.10 -0.00 0.00 0.52 0.00 0.00 34.95 30.46 1wgd s ARG 53 CO 0.47 -1.74 0.55 -0.51 0.02 0.00 0.00 175.30 174.10 1wgd s LEU 54 N 6.08 4.31 -0.18 2.53 1.02 -1.26 -0.84 118.68 130.34 1wgd s LEU 54 Ca 0.66 0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.87 1wgd s LEU 54 Cb -0.16 -2.65 0.02 0.00 0.02 0.00 0.00 46.19 43.42 1wgd s LEU 54 CO 0.32 -0.51 -0.18 -0.63 0.02 0.00 0.00 176.35 175.37 1wgd s ILE 55 N 2.49 2.21 0.00 -0.59 1.09 0.06 0.89 121.20 127.35 1wgd s ILE 55 Ca 0.21 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 1wgd s ILE 55 Cb -0.15 -1.93 0.00 0.00 -1.06 0.00 0.00 42.46 39.31 1wgd s ILE 55 CO 0.14 0.53 0.00 0.00 -0.10 0.00 0.00 174.94 175.50 1wgd n TYR 56 N 4.57 0.00 -1.90 3.97 9.36 -1.04 0.18 117.16 132.30 1wgd n TYR 56 Ca -0.21 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.66 1wgd n TYR 56 Cb 0.50 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.20 1wgd n TYR 56 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1wgd n SER 57 N -0.37 7.24 0.00 2.98 3.41 -1.26 -4.66 113.62 120.96 1wgd n SER 57 Ca 0.00 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 1wgd n SER 57 Cb 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 1wgd n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgd n GLY 58 N 0.58 1.04 3.28 5.00 0.00 -1.26 -4.96 105.19 108.88 1wgd n GLY 58 Ca 0.53 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.24 3.24 0.52 1.61 -0.14 -1.26 -5.07 119.74 118.40 1wgd s LYS 59 Ca 0.00 -0.75 -0.23 0.00 -1.36 0.00 0.00 55.97 53.64 1wgd s LYS 59 Cb 0.00 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.50 1wgd s LYS 59 CO 0.00 0.08 1.38 -1.17 -0.76 0.00 0.00 175.35 174.87 1wgd s LEU 60 N 0.66 3.92 0.56 3.17 2.96 -1.26 -2.48 118.68 126.21 1wgd s LEU 60 Ca -0.08 2.81 -0.06 0.00 -0.22 0.00 0.00 54.13 56.58 1wgd s LEU 60 Cb -0.16 -4.18 -0.01 0.00 0.50 0.00 0.00 46.19 42.34 1wgd s LEU 60 CO 0.02 -1.46 0.87 -0.76 -1.32 0.00 0.00 176.35 173.70 1wgd s LEU 61 N -3.30 3.36 0.00 -0.68 1.43 0.26 -4.90 118.68 114.84 1wgd s LEU 61 Ca 0.69 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1wgd s LEU 61 Cb -0.41 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1wgd s LEU 61 CO 0.50 -0.90 0.00 0.18 0.23 0.00 0.00 176.35 176.36 1wgd n LEU 62 N -2.49 0.00 0.00 1.79 4.77 -1.26 -4.81 117.00 115.00 1wgd n LEU 62 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1wgd n LEU 62 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1wgd n LEU 62 CO 0.53 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.69 1wgd n ASP 63 N 0.00 0.00 0.16 -1.43 5.75 -1.26 -4.71 116.55 115.07 1wgd n ASP 63 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 1wgd n ASP 63 Cb 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 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 -3.27 2.11 2.07 -1.95 -0.92 115.15 113.19 1wgd h HIS 64 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 1wgd h HIS 64 Cb 0.00 0.00 0.18 0.00 2.57 0.00 0.00 27.41 30.16 1wgd h HIS 64 CO 0.00 0.35 -0.29 1.04 -3.07 0.00 0.00 177.93 175.95 1wgd n GLN 65 N -3.19 0.40 -4.09 5.12 1.13 -1.26 -4.82 117.38 110.67 1wgd n GLN 65 Ca 0.03 0.18 -0.31 0.00 -1.94 0.00 0.00 57.00 54.96 1wgd n GLN 65 Cb 0.67 -1.88 -0.07 0.00 0.11 0.00 0.00 30.24 29.07 1wgd n GLN 65 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wgd n LEU 67 N 0.61 0.00 0.05 0.00 4.77 -1.24 -1.42 117.00 119.77 1wgd n LEU 67 Ca -0.10 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1wgd n LEU 67 Cb 0.52 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1wgd n LEU 67 CO 0.42 -0.27 0.29 -0.09 -1.33 0.00 0.00 177.39 176.40 1wgd h ARG 68 N 0.00 0.45 0.01 3.23 9.65 -1.86 -2.56 114.38 123.29 1wgd h ARG 68 Ca 0.00 -0.40 -0.25 0.00 -1.10 0.00 0.00 59.98 58.23 1wgd h ARG 68 Cb 0.23 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1wgd h ARG 68 CO 0.00 1.05 -1.36 -3.47 2.80 0.00 0.00 179.97 178.99 1wgd n ASP 69 N -3.82 1.87 -0.01 -3.80 -0.08 -0.84 -4.49 116.55 105.40 1wgd n ASP 69 Ca -0.05 0.41 -0.02 0.00 -1.51 0.00 0.00 54.79 53.61 1wgd n ASP 69 Cb 0.75 -0.96 -0.02 0.00 2.34 0.00 0.00 41.12 43.24 1wgd n ASP 69 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wgd h LEU 70 N -0.96 -0.27-10.18 -2.67 3.38 -1.37 -3.41 115.31 99.83 1wgd h LEU 70 Ca -0.37 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.10 1wgd h LEU 70 Cb 1.35 0.11 0.15 0.00 0.09 0.00 0.00 40.66 42.36 1wgd h LEU 70 CO -0.21 -0.07 0.39 -0.76 0.09 0.00 0.00 178.44 177.88 1wgd s LEU 71 N -5.98 3.33 1.02 1.67 1.43 -0.96 -5.01 118.68 114.17 1wgd s LEU 71 Ca -0.02 2.30 -0.16 0.00 -1.03 0.00 0.00 54.13 55.22 1wgd s LEU 71 Cb 0.01 -4.58 0.21 0.00 0.03 0.00 0.00 46.19 41.86 1wgd s LEU 71 CO 0.09 -2.16 1.19 -2.16 0.23 0.00 0.00 176.35 173.55 1wgd s PRO 72 N -3.94 0.21 -0.33 1.29 0.04 -1.26 -4.77 135.00 126.23 1wgd s PRO 72 Ca 0.73 -0.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.63 1wgd s PRO 72 Cb -0.28 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1wgd s PRO 72 CO 0.45 -2.76 0.12 -1.59 0.04 0.00 0.00 177.00 173.26 1wgd s LYS 73 N -5.53 2.83 -0.27 4.56 -2.85 -1.26 -4.73 119.74 112.49 1wgd s LYS 73 Ca 0.70 -1.04 -0.07 0.00 -1.00 0.00 0.00 55.97 54.55 1wgd s LYS 73 Cb -0.09 -3.50 0.01 0.00 -2.06 0.00 0.00 37.83 32.19 1wgd s LYS 73 CO 0.54 -0.60 0.26 1.04 0.10 0.00 0.00 175.35 176.70 1wgd n GLN 74 N 4.88 -1.93 -3.82 1.78 6.02 -1.26 -5.08 117.38 117.96 1wgd n GLN 74 Ca -0.13 1.80 -0.08 0.00 -0.01 0.00 0.00 57.00 58.58 1wgd n GLN 74 Cb 0.46 -4.26 0.01 0.00 1.02 0.00 0.00 30.24 27.47 1wgd n GLN 74 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1wgd s GLU 75 N -1.75 2.00 1.16 -1.09 2.56 -1.26 -5.16 118.70 115.15 1wgd s GLU 75 Ca 0.11 -1.24 -0.17 0.00 0.00 0.00 0.00 54.97 53.66 1wgd s GLU 75 Cb -0.03 0.59 0.21 0.00 2.00 0.00 0.00 34.13 36.90 1wgd s GLU 75 CO 0.54 -0.93 0.41 1.63 -0.56 0.00 0.00 175.26 176.34 1wgd n LYS 76 N -0.53 -2.69 -0.36 4.30 5.02 -1.26 -4.94 118.16 117.71 1wgd n LYS 76 Ca -0.07 -0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 55.27 1wgd n LYS 76 Cb 0.60 -1.69 0.16 0.00 -0.02 0.00 0.00 35.03 34.08 1wgd n LYS 76 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wgd n ARG 77 N -2.99 -2.11 -4.78 1.97 1.74 -1.26 -4.99 116.66 104.23 1wgd n ARG 77 Ca 0.06 -0.80 -0.33 0.00 -0.77 0.00 0.00 57.85 56.01 1wgd n ARG 77 Cb 0.50 -1.37 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.87 2.80 -0.26 -1.55 3.76 -0.38 -5.04 115.29 112.74 1wgd s HIS 78 Ca 0.37 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.04 1wgd s HIS 78 Cb -0.06 -1.72 0.07 0.00 1.11 0.00 0.00 32.58 31.98 1wgd s HIS 78 CO 0.31 0.10 -0.00 0.08 -0.85 0.00 0.00 174.74 174.38 1wgd s VAL 79 N -0.41 1.49 0.28 -0.90 1.01 -1.26 0.17 120.40 120.78 1wgd s VAL 79 Ca 0.05 -1.41 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1wgd s VAL 79 Cb -0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1wgd s VAL 79 CO 0.02 -0.29 0.26 -0.76 0.00 0.00 0.00 175.10 174.33 1wgd s LEU 80 N 1.37 3.80 -0.31 3.92 2.01 0.50 -4.77 118.68 125.20 1wgd s LEU 80 Ca -0.00 -0.29 0.02 0.00 0.01 0.00 0.00 54.13 53.86 1wgd s LEU 80 Cb -0.19 -2.37 0.09 0.00 0.01 0.00 0.00 46.19 43.73 1wgd s LEU 80 CO -0.10 -0.16 0.05 -1.00 1.01 0.00 0.00 176.35 176.15 1wgd s HIS 81 N -2.18 2.83 -0.44 0.29 3.76 0.48 0.19 115.29 120.22 1wgd s HIS 81 Ca 0.36 -2.37 -0.19 0.00 -0.15 0.00 0.00 55.06 52.72 1wgd s HIS 81 Cb -0.07 -2.29 0.03 0.00 1.11 0.00 0.00 32.58 31.35 1wgd s HIS 81 CO 0.26 -0.90 0.52 -1.17 -0.85 0.00 0.00 174.74 172.61 1wgd s LEU 82 N 1.23 4.77 0.01 0.89 2.96 -0.84 -0.76 118.68 126.93 1wgd s LEU 82 Ca 0.08 -0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 53.31 1wgd s LEU 82 Cb -0.18 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 1wgd s LEU 82 CO -0.14 -0.68 0.30 -0.69 -1.32 0.00 0.00 176.35 173.82 1wgd s VAL 83 N 2.41 5.24 -0.08 1.68 1.01 -0.02 -4.71 120.40 125.93 1wgd s VAL 83 Ca 0.16 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 1wgd s VAL 83 Cb -0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1wgd s VAL 83 CO 0.15 0.40 0.36 0.00 0.00 0.00 0.00 175.10 176.01 1wgd s ASN 85 N -0.34 0.69 -0.21 0.00 2.47 -1.26 -4.99 114.94 111.30 1wgd s ASN 85 Ca 0.21 0.18 -0.15 0.00 0.42 0.00 0.00 52.86 53.52 1wgd s ASN 85 Cb -0.15 0.05 0.06 0.00 -1.45 0.00 0.00 41.25 39.76 1wgd s ASN 85 CO 0.09 -0.22 0.54 0.54 -3.72 0.00 0.00 177.10 174.33 1wgd s VAL 86 N 1.91 -0.01 0.00 -5.21 0.11 -1.26 -4.75 120.40 111.19 1wgd s VAL 86 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1wgd s VAL 86 Cb -0.12 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1wgd s VAL 86 CO -0.04 0.01 0.00 1.17 -3.33 0.00 0.00 175.10 172.91 1wgd n LYS 87 N 3.61 2.08 -3.88 1.54 4.81 -1.26 -5.10 118.16 119.96 1wgd n LYS 87 Ca -0.18 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.96 1wgd n LYS 87 Cb 0.57 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.48 1wgd n LYS 87 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wgd s SER 88 N -0.71 4.13 0.85 3.14 0.15 -1.26 -5.11 113.70 114.90 1wgd s SER 88 Ca 0.00 -2.88 -0.15 0.00 0.70 0.00 0.00 55.95 53.62 1wgd s SER 88 Cb 0.00 -1.46 -0.06 0.00 -1.71 0.00 0.00 66.02 62.79 1wgd s SER 88 CO 0.00 -0.25 0.05 0.61 1.20 0.00 0.00 173.24 174.85 1wgd n GLY 89 N 3.26 -2.74 3.56 9.45 0.00 -1.26 -4.78 105.19 112.68 1wgd n GLY 89 Ca 0.06 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1wgd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgd s PRO 90 N -2.66 3.02 -0.32 1.61 0.04 -1.26 -4.25 135.00 131.18 1wgd s PRO 90 Ca 0.55 -0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.12 1wgd s PRO 90 Cb -0.27 -4.83 0.02 0.00 0.04 0.00 0.00 34.50 29.45 1wgd s PRO 90 CO 0.69 -2.63 0.30 0.45 0.04 0.00 0.00 177.00 175.85 1wgd n SER 91 N 11.21 -7.40 -2.54 6.66 2.88 -1.26 -4.58 113.62 118.58 1wgd n SER 91 Ca 0.26 0.74 -0.03 0.00 -1.33 0.00 0.00 58.87 58.51 1wgd n SER 91 Cb 0.50 -4.20 -0.02 0.00 -0.75 0.00 0.00 64.21 59.73 1wgd n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgd n SER 92 N 0.33 -4.02 0.00 -3.46 7.64 -1.26 -5.28 113.62 107.57 1wgd n SER 92 Ca 0.03 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1wgd n SER 92 Cb 0.34 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64