#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 -0.86 -4.37 1.61 7.64 -1.26 -5.05 113.62 111.33 1wgd n SER 2 Ca 0.00 1.36 -0.21 0.00 1.01 0.00 0.00 58.87 61.03 1wgd n SER 2 Cb 0.00 -5.24 -0.10 0.00 -1.01 0.00 0.00 64.21 57.86 1wgd n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgd s SER 3 N -0.72 2.85 0.00 6.43 0.01 -1.26 -5.11 113.70 115.91 1wgd s SER 3 Ca -0.27 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.00 1wgd s SER 3 Cb 0.02 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1wgd s SER 3 CO 0.79 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.96 1wgd n GLY 4 N -0.30 -0.82 2.05 3.44 0.00 -1.26 -5.08 105.19 103.22 1wgd n GLY 4 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -1.00 0.11 1.61 2.88 -1.26 -5.06 113.62 110.90 1wgd n SER 5 Ca 0.00 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1wgd n SER 5 Cb 0.00 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 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 -3.47 -0.42 -1.13 -3.46 2.88 -1.26 -5.17 113.62 101.59 1wgd n SER 6 Ca 0.00 0.38 0.15 0.00 -1.33 0.00 0.00 58.87 58.07 1wgd n SER 6 Cb 0.00 0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.20 -1.92 3.80 0.46 0.00 -1.26 -4.95 105.19 102.52 1wgd n GLY 7 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.18 2.18 -0.18 1.61 -7.23 -1.25 -4.89 120.40 108.46 1wgd s VAL 8 Ca 0.00 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1wgd s VAL 8 Cb 0.00 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1wgd s VAL 8 CO 0.00 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.82 1wgd s THR 9 N -2.63 3.20 -0.20 5.32 2.01 -1.26 0.15 115.64 122.24 1wgd s THR 9 Ca 0.39 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1wgd s THR 9 Cb 0.01 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1wgd s THR 9 CO 0.22 0.47 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.82 1wgd s LEU 10 N 1.00 3.00 -0.45 4.42 1.43 0.22 0.16 118.68 128.46 1wgd s LEU 10 Ca -0.01 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 1wgd s LEU 10 Cb -0.15 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.36 1wgd s LEU 10 CO -0.01 0.04 0.49 -0.22 0.23 0.00 0.00 176.35 176.88 1wgd s LEU 11 N 1.12 4.97 -0.77 1.79 2.96 0.15 -1.66 118.68 127.23 1wgd s LEU 11 Ca 0.02 -0.80 -0.26 0.00 -0.22 0.00 0.00 54.13 52.87 1wgd s LEU 11 Cb -0.15 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.17 1wgd s LEU 11 CO -0.00 -0.67 1.49 -0.69 -1.32 0.00 0.00 176.35 175.16 1wgd s VAL 12 N 2.22 3.65 0.46 1.68 1.01 0.41 0.17 120.40 130.01 1wgd s VAL 12 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1wgd s VAL 12 Cb -0.18 -4.65 -0.00 0.00 0.00 0.00 0.00 36.38 31.54 1wgd s VAL 12 CO 0.13 -1.59 0.69 -0.54 0.00 0.00 0.00 175.10 173.79 1wgd s LYS 13 N 6.00 3.07 -0.24 2.72 1.02 0.22 -3.01 119.74 129.51 1wgd s LYS 13 Ca 0.47 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1wgd s LYS 13 Cb -0.07 -2.53 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1wgd s LYS 13 CO 0.11 -0.30 -0.13 -1.12 -0.92 0.00 0.00 175.35 172.99 1wgd s SER 14 N -4.22 4.08 -1.13 2.83 0.01 -1.26 -3.13 113.70 110.88 1wgd s SER 14 Ca 0.49 -1.17 -0.15 0.00 1.31 0.00 0.00 55.95 56.43 1wgd s SER 14 Cb -0.10 -1.54 -0.07 0.00 0.21 0.00 0.00 66.02 64.53 1wgd s SER 14 CO 0.39 -0.14 2.19 -0.81 0.41 0.00 0.00 173.24 175.27 1wgd n PRO 15 N 4.50 2.32 0.00 12.44 -0.04 -1.26 -3.53 135.00 149.43 1wgd n PRO 15 Ca -0.16 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1wgd n PRO 15 Cb 0.44 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 6.01 0.00 0.01 3.54 5.15 -1.26 -5.09 115.26 123.63 1wgd n ASN 16 Ca 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 1wgd n ASN 16 Cb 0.33 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 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 -2.42 0.00 -2.67 1.20 6.02 -1.23 -5.03 117.38 113.26 1wgd n GLN 17 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1wgd n GLN 17 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wgd n ARG 18 N -2.78 0.26 0.00 -1.09 1.74 -1.26 -5.04 116.66 108.48 1wgd n ARG 18 Ca 0.00 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1wgd n ARG 18 Cb 0.00 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 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 0.25 0.00 -3.86 -1.55 -0.00 -1.26 -4.99 115.22 103.81 1wgd n HIS 19 Ca -0.09 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.01 1wgd n HIS 19 Cb 0.73 -0.11 -0.03 0.00 -0.12 0.00 0.00 29.99 30.47 1wgd n HIS 19 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1wgd s ARG 20 N -1.43 1.71 -0.13 1.57 1.81 -1.26 -5.09 118.95 116.14 1wgd s ARG 20 Ca 0.00 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 1wgd s ARG 20 Cb 0.00 0.58 0.02 0.00 -0.45 0.00 0.00 34.95 35.10 1wgd s ARG 20 CO 0.00 -0.77 -0.11 -0.51 -0.68 0.00 0.00 175.30 173.22 1wgd s ASP 21 N -2.93 2.45 -0.14 0.23 1.01 -1.26 -4.19 116.67 111.84 1wgd s ASP 21 Ca 0.13 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.99 1wgd s ASP 21 Cb -0.05 -1.03 0.02 0.00 1.01 0.00 0.00 42.92 42.87 1wgd s ASP 21 CO 0.06 -0.08 -0.15 -0.22 0.21 0.00 0.00 175.17 175.00 1wgd s LEU 22 N 1.55 1.70 -0.40 1.23 2.96 -1.16 -4.95 118.68 119.60 1wgd s LEU 22 Ca 0.04 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1wgd s LEU 22 Cb -0.13 -1.17 0.10 0.00 0.50 0.00 0.00 46.19 45.50 1wgd s LEU 22 CO -0.09 -0.04 0.18 -1.61 -1.32 0.00 0.00 176.35 173.47 1wgd s GLU 23 N 1.38 2.01 0.48 1.98 2.02 -1.25 0.15 118.70 125.47 1wgd s GLU 23 Ca 0.03 -1.78 0.06 0.00 0.02 0.00 0.00 54.97 53.29 1wgd s GLU 23 Cb -0.13 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.55 1wgd s GLU 23 CO -0.09 -1.03 0.26 -0.48 0.02 0.00 0.00 175.26 173.94 1wgd s LEU 24 N 1.14 2.84 0.50 1.80 2.34 -0.66 -4.87 118.68 121.77 1wgd s LEU 24 Ca 0.07 -1.21 -0.20 0.00 0.06 0.00 0.00 54.13 52.85 1wgd s LEU 24 Cb -0.22 -1.28 -0.07 0.00 -0.56 0.00 0.00 46.19 44.06 1wgd s LEU 24 CO -0.04 -0.84 1.10 -0.55 -1.06 0.00 0.00 176.35 174.96 1wgd s SER 25 N -4.08 6.04 -0.34 1.48 0.15 -1.26 -0.61 113.70 115.08 1wgd s SER 25 Ca 0.33 2.11 0.16 0.00 0.70 0.00 0.00 55.95 59.25 1wgd s SER 25 Cb 0.00 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.18 1wgd s SER 25 CO 0.19 -0.99 0.96 0.61 1.20 0.00 0.00 173.24 175.21 1wgd n GLY 26 N 0.09 2.24 3.21 9.45 0.00 0.41 -4.68 105.19 115.90 1wgd n GLY 26 Ca 0.10 -1.52 -0.51 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.10 -0.44 0.11 1.61 2.03 -1.26 -3.75 116.55 114.75 1wgd n ASP 27 Ca 0.14 1.06 0.08 0.00 0.52 0.00 0.00 54.79 56.59 1wgd n ASP 27 Cb 0.79 -0.86 0.41 0.00 -0.72 0.00 0.00 41.12 40.74 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 1.21 0.10 0.05 -0.67 1.74 -1.26 -0.43 116.66 117.42 1wgd n ARG 28 Ca 0.18 0.56 0.04 0.00 -0.77 0.00 0.00 57.85 57.86 1wgd n ARG 28 Cb 0.13 -1.81 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 1wgd n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wgd n GLY 29 N -1.14 -1.29 2.86 -0.13 0.00 -1.26 -2.74 105.19 101.49 1wgd n GLY 29 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1wgd n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wgd n TRP 30 N -2.80 -2.72 -3.76 1.61 7.02 0.43 -4.88 117.44 112.35 1wgd n TRP 30 Ca -0.06 -0.21 -0.16 0.00 -1.02 0.00 0.00 57.50 56.05 1wgd n TRP 30 Cb 0.73 -1.24 -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 -2.22 0.25 0.27 -0.99 0.01 -1.26 -4.03 113.70 105.73 1wgd s SER 31 Ca 0.38 0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.59 1wgd s SER 31 Cb -0.07 -0.09 0.41 0.00 0.21 0.00 0.00 66.02 66.49 1wgd s SER 31 CO 0.32 -0.15 1.53 0.52 0.41 0.00 0.00 173.24 175.87 1wgd n VAL 32 N 4.36 -0.43 -0.31 3.43 0.31 -1.09 0.20 118.33 124.81 1wgd n VAL 32 Ca -0.24 2.25 -0.03 0.00 -0.01 0.00 0.00 64.34 66.31 1wgd n VAL 32 Cb 0.50 -3.09 0.08 0.00 -0.91 0.00 0.00 33.84 30.42 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 1.19 0.51 2.92 0.00 -0.37 -1.72 103.07 105.60 1wgd h GLY 33 Ca 0.45 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1wgd h GLY 33 CO -1.00 0.42 -0.15 0.84 0.00 0.00 0.00 176.54 176.65 1wgd h HIS 34 N 1.13 -0.40 -1.00 5.60 6.17 0.19 -3.23 115.15 123.62 1wgd h HIS 34 Ca 0.31 -0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.55 1wgd h HIS 34 Cb -0.11 0.13 -0.17 0.00 2.52 0.00 0.00 27.41 29.78 1wgd h HIS 34 CO -0.01 -0.06 -0.34 -0.11 0.71 0.00 0.00 177.93 178.12 1wgd n LEU 35 N -5.09 -0.55 -0.23 0.26 7.94 0.54 -0.27 117.00 119.60 1wgd n LEU 35 Ca -0.09 1.73 -0.06 0.00 -1.11 0.00 0.00 56.01 56.48 1wgd n LEU 35 Cb 0.27 -0.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.72 1wgd n LEU 35 CO 0.26 -1.59 0.46 0.29 -1.11 0.00 0.00 177.39 175.69 1wgd n LYS 36 N -5.52 -0.25 0.02 1.96 5.02 -0.66 0.18 118.16 118.91 1wgd n LYS 36 Ca 0.12 1.22 -0.11 0.00 -2.02 0.00 0.00 58.31 57.52 1wgd n LYS 36 Cb 0.43 -1.80 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.10 -0.45 -1.00 7.82 0.00 -0.69 0.13 119.26 124.98 1wgd h ALA 37 Ca 0.09 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.26 1wgd h ALA 37 Cb 0.23 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 1wgd h ALA 37 CO -0.53 -0.84 0.58 1.25 0.00 0.00 0.00 179.25 179.71 1wgd h HIS 38 N -0.44 0.98 0.87 0.00 -0.00 0.87 0.05 115.15 117.48 1wgd h HIS 38 Ca 0.08 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1wgd h HIS 38 Cb 0.57 -0.27 0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1wgd h HIS 38 CO -0.40 0.01 -0.42 -0.07 -0.00 0.00 0.00 177.93 177.05 1wgd h LEU 39 N 0.52 -0.99 -1.81 0.26 3.38 0.44 -1.97 115.31 115.13 1wgd h LEU 39 Ca 0.66 0.03 0.53 0.00 0.09 0.00 0.00 57.88 59.19 1wgd h LEU 39 Cb 1.30 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 42.22 1wgd h LEU 39 CO -0.50 -0.69 1.30 -0.24 0.09 0.00 0.00 178.44 178.40 1wgd n SER 40 N -5.58 0.01 0.00 -0.43 2.88 -0.03 0.12 113.62 110.59 1wgd n SER 40 Ca -0.15 0.96 -0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1wgd n SER 40 Cb 0.47 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.00 -0.23 -1.46 1.12 -0.94 -3.11 114.38 109.76 1wgd h ARG 41 Ca 0.88 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.81 1wgd h ARG 41 Cb 3.48 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 33.43 1wgd h ARG 41 CO -0.04 -0.00 0.44 -0.39 -3.11 0.00 0.00 179.97 176.87 1wgd h VAL 42 N -0.00 0.18 -3.30 0.20 -1.51 -0.56 -3.38 116.25 107.86 1wgd h VAL 42 Ca -0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 66.70 64.89 1wgd h VAL 42 Cb 0.00 0.61 -0.07 0.00 -2.13 0.00 0.00 31.29 29.70 1wgd h VAL 42 CO 0.00 0.00 0.39 -0.47 -1.23 0.00 0.00 177.57 176.26 1wgd s TYR 43 N -4.35 3.42 -0.74 5.19 5.04 0.12 -4.98 117.35 121.04 1wgd s TYR 43 Ca -0.04 1.26 -0.26 0.00 -2.44 0.00 0.00 57.07 55.59 1wgd s TYR 43 Cb 0.12 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.42 1wgd s TYR 43 CO 0.40 -0.24 1.60 -1.25 -1.34 0.00 0.00 175.55 174.71 1wgd s PRO 44 N 2.15 2.95 0.00 4.97 0.04 -1.26 -3.02 135.00 140.83 1wgd s PRO 44 Ca 0.38 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1wgd s PRO 44 Cb -0.17 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1wgd s PRO 44 CO 0.12 -2.52 0.00 -0.85 0.04 0.00 0.00 177.00 173.80 1wgd n GLU 45 N 9.19 0.00 -3.22 4.56 0.28 -1.26 -5.00 120.64 125.19 1wgd n GLU 45 Ca 0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.06 1wgd n GLU 45 Cb 0.50 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.42 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 -1.99 0.00 3.44 3.00 -1.17 -5.02 116.66 114.92 1wgd n ARG 46 Ca 0.00 1.01 0.00 0.00 -0.01 0.00 0.00 57.85 58.85 1wgd n ARG 46 Cb 0.00 -5.76 0.00 0.00 0.00 0.00 0.00 32.46 26.70 1wgd n ARG 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1wgd n PRO 47 N -2.89 0.47 -4.71 5.56 -0.04 -1.26 -5.07 135.00 127.05 1wgd n PRO 47 Ca -0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 1wgd n PRO 47 Cb 0.59 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.92 1wgd n PRO 47 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wgd s ARG 48 N -1.06 2.21 0.39 0.54 1.70 -1.26 -4.89 118.95 116.58 1wgd s ARG 48 Ca 0.00 -0.90 0.21 0.00 -0.47 0.00 0.00 55.73 54.57 1wgd s ARG 48 Cb 0.00 -2.25 0.59 0.00 -0.57 0.00 0.00 34.95 32.73 1wgd s ARG 48 CO 0.00 0.56 1.69 -1.00 -1.08 0.00 0.00 175.30 175.47 1wgd h PRO 49 N 4.73 0.00 0.00 3.89 0.13 -1.93 -0.37 132.00 138.46 1wgd h PRO 49 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wgd h PRO 49 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wgd h PRO 49 CO 0.49 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 178.94 1wgd n GLU 50 N -3.31 0.12 -0.06 0.86 1.02 -1.26 -3.11 120.64 114.89 1wgd n GLU 50 Ca 0.01 0.23 -0.07 0.00 -0.02 0.00 0.00 57.16 57.31 1wgd n GLU 50 Cb 0.54 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 1wgd n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wgd n ASP 51 N -1.89 2.37 -4.48 1.62 9.92 -1.04 -4.95 116.55 118.10 1wgd n ASP 51 Ca 0.04 -0.03 -0.50 0.00 -0.53 0.00 0.00 54.79 53.77 1wgd n ASP 51 Cb 0.29 0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 41.16 1wgd n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgd n GLN 52 N -2.59 1.19 -3.12 -1.24 6.02 -0.18 -3.57 117.38 113.90 1wgd n GLN 52 Ca -0.21 0.34 -0.44 0.00 -0.01 0.00 0.00 57.00 56.68 1wgd n GLN 52 Cb 0.85 -2.51 -0.06 0.00 1.02 0.00 0.00 30.24 29.54 1wgd n GLN 52 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wgd s ARG 53 N 6.00 3.14 -0.19 -1.09 0.52 0.14 -4.92 118.95 122.56 1wgd s ARG 53 Ca 1.08 -0.83 -0.17 0.00 -0.52 0.00 0.00 55.73 55.28 1wgd s ARG 53 Cb -0.82 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 30.51 1wgd s ARG 53 CO 0.49 -1.27 0.47 -0.51 0.02 0.00 0.00 175.30 174.50 1wgd s LEU 54 N 2.80 4.17 -0.01 2.53 1.02 -1.26 0.75 118.68 128.67 1wgd s LEU 54 Ca 0.17 0.64 0.02 0.00 0.02 0.00 0.00 54.13 54.98 1wgd s LEU 54 Cb -0.19 -2.63 -0.00 0.00 0.02 0.00 0.00 46.19 43.39 1wgd s LEU 54 CO 0.13 -0.11 -0.07 -0.63 0.02 0.00 0.00 176.35 175.68 1wgd s ILE 55 N 1.35 0.59 -0.20 -0.59 1.01 -0.61 0.19 121.20 122.93 1wgd s ILE 55 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1wgd s ILE 55 Cb -0.15 -0.51 0.06 0.00 0.01 0.00 0.00 42.46 41.87 1wgd s ILE 55 CO 0.09 0.18 0.02 -0.47 0.00 0.00 0.00 174.94 174.75 1wgd s TYR 56 N -0.02 1.31 0.00 3.97 6.14 -0.11 -0.46 117.35 128.18 1wgd s TYR 56 Ca 0.01 -1.04 0.00 0.00 0.64 0.00 0.00 57.07 56.68 1wgd s TYR 56 Cb -0.05 -1.14 0.00 0.00 0.42 0.00 0.00 41.96 41.19 1wgd s TYR 56 CO -0.00 -0.64 0.00 0.45 0.64 0.00 0.00 175.55 176.00 1wgd n SER 57 N 4.97 -2.15 0.00 4.32 2.88 -1.26 -2.96 113.62 119.43 1wgd n SER 57 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1wgd n SER 57 Cb 0.46 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.37 1.86 3.67 0.46 0.00 -1.26 -5.06 105.19 102.49 1wgd n GLY 58 Ca 0.00 -0.38 -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 -1.59 0.00 0.00 0.00 173.32 171.73 1wgd s LYS 59 N 0.00 4.30 0.29 1.61 -2.85 -1.15 -4.98 119.74 116.96 1wgd s LYS 59 Ca 0.00 1.64 -0.29 0.00 -1.00 0.00 0.00 55.97 56.32 1wgd s LYS 59 Cb 0.00 -3.65 -0.10 0.00 -2.06 0.00 0.00 37.83 32.02 1wgd s LYS 59 CO 0.00 -0.57 1.30 -1.17 0.10 0.00 0.00 175.35 175.02 1wgd s LEU 60 N 2.82 4.43 0.61 2.77 2.96 -1.26 -0.93 118.68 130.08 1wgd s LEU 60 Ca 0.54 2.60 -0.08 0.00 -0.22 0.00 0.00 54.13 56.97 1wgd s LEU 60 Cb -0.22 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.82 1wgd s LEU 60 CO 0.18 -0.52 0.95 -0.76 -1.32 0.00 0.00 176.35 174.88 1wgd s LEU 61 N -1.31 3.20 0.00 -0.68 1.43 0.50 -4.90 118.68 116.93 1wgd s LEU 61 Ca 0.51 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1wgd s LEU 61 Cb -0.39 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.02 1wgd s LEU 61 CO 0.48 -1.04 0.00 0.18 0.23 0.00 0.00 176.35 176.20 1wgd n LEU 62 N -2.67 0.00 0.00 1.79 4.77 -1.26 -4.72 117.00 114.91 1wgd n LEU 62 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 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 0.55 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.71 1wgd n ASP 63 N 0.00 0.00 0.09 -1.43 5.68 -1.26 -4.39 116.55 115.24 1wgd n ASP 63 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 1wgd n ASP 63 Cb 0.00 0.17 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 1wgd n ASP 63 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1wgd h HIS 64 N 0.00 0.00 -2.35 2.11 2.07 -1.94 0.42 115.15 115.46 1wgd h HIS 64 Ca 0.00 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.90 1wgd h HIS 64 Cb 0.00 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.07 1wgd h HIS 64 CO 0.00 0.86 0.34 1.04 -3.07 0.00 0.00 177.93 177.10 1wgd n GLN 65 N -3.47 1.50 -3.38 5.12 1.13 -1.26 -4.77 117.38 112.24 1wgd n GLN 65 Ca -0.00 0.53 -0.34 0.00 -1.94 0.00 0.00 57.00 55.25 1wgd n GLN 65 Cb 0.83 -2.04 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 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 3.14 0.94 -0.81 0.00 3.38 -1.70 -2.35 115.31 117.91 1wgd h LEU 67 Ca -0.48 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.54 1wgd h LEU 67 Cb 1.18 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 1wgd h LEU 67 CO 0.67 0.68 -0.48 -1.14 0.09 0.00 0.00 178.44 178.26 1wgd n ARG 68 N -4.41 -0.36 0.39 1.13 0.63 -1.11 0.18 116.66 113.11 1wgd n ARG 68 Ca 0.09 1.41 -0.17 0.00 -0.92 0.00 0.00 57.85 58.26 1wgd n ARG 68 Cb 0.03 -2.08 -0.08 0.00 0.45 0.00 0.00 32.46 30.78 1wgd n ARG 68 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1wgd h ASP 69 N 0.00 -0.84 -0.26 6.15 1.82 -1.84 -3.26 116.42 118.19 1wgd h ASP 69 Ca 0.13 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.80 1wgd h ASP 69 Cb 0.33 0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1wgd h ASP 69 CO -0.76 -0.51 -0.15 0.18 -1.61 0.00 0.00 179.24 176.39 1wgd n LEU 70 N -5.46 -0.27 -4.78 2.28 4.77 -0.66 -4.40 117.00 108.47 1wgd n LEU 70 Ca -0.13 1.19 -0.34 0.00 -0.03 0.00 0.00 56.01 56.70 1wgd n LEU 70 Cb 0.41 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1wgd n LEU 70 CO 0.34 -0.74 0.74 -0.76 -1.33 0.00 0.00 177.39 175.64 1wgd s LEU 71 N -7.15 3.55 0.00 2.23 1.43 0.47 -5.05 118.68 114.17 1wgd s LEU 71 Ca -0.03 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1wgd s LEU 71 Cb 0.03 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1wgd s LEU 71 CO 0.16 -1.33 0.00 -0.81 0.23 0.00 0.00 176.35 174.60 1wgd n PRO 72 N -1.91 0.25 0.00 1.29 -0.04 -1.26 -4.69 135.00 128.64 1wgd n PRO 72 Ca 0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 1wgd n PRO 72 Cb 0.52 0.00 0.39 0.00 -0.04 0.00 0.00 33.50 34.37 1wgd n PRO 72 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1wgd h LYS 73 N 0.00 0.53 0.00 0.54 2.10 -1.94 -3.46 116.57 114.34 1wgd h LYS 73 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1wgd h LYS 73 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1wgd h LYS 73 CO 0.00 0.41 0.00 0.94 -2.00 0.00 0.00 179.45 178.80 1wgd n GLN 74 N -4.42 0.00 -4.15 0.07 7.27 -1.26 -5.04 117.38 109.84 1wgd n GLN 74 Ca 0.03 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.70 1wgd n GLN 74 Cb 0.11 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.74 1wgd n GLN 74 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1wgd n GLU 75 N -1.40 -0.50 -0.83 3.69 2.13 -1.26 -4.44 120.64 118.03 1wgd n GLU 75 Ca 0.00 0.05 0.11 0.00 0.66 0.00 0.00 57.16 57.98 1wgd n GLU 75 Cb 0.00 -2.76 -0.03 0.00 0.27 0.00 0.00 31.44 28.92 1wgd n GLU 75 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1wgd n LYS 76 N -4.78 -1.65 -0.82 5.31 4.81 -1.26 -4.73 118.16 115.04 1wgd n LYS 76 Ca -0.19 1.09 -0.35 0.00 -0.87 0.00 0.00 58.31 57.99 1wgd n LYS 76 Cb 0.59 -2.02 0.11 0.00 0.02 0.00 0.00 35.03 33.73 1wgd n LYS 76 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1wgd n ARG 77 N -2.64 -0.87 -4.37 1.64 -4.01 -1.26 -4.94 116.66 100.20 1wgd n ARG 77 Ca 0.00 -0.24 -0.28 0.00 -1.04 0.00 0.00 57.85 56.28 1wgd n ARG 77 Cb 0.59 -1.37 -0.12 0.00 -3.04 0.00 0.00 32.46 28.52 1wgd n ARG 77 CO 0.00 0.00 0.00 -1.01 -3.04 0.00 0.00 177.63 173.58 1wgd s HIS 78 N -2.12 2.37 -0.26 2.89 3.76 0.41 -4.96 115.29 117.39 1wgd s HIS 78 Ca 0.47 -0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 1wgd s HIS 78 Cb -0.01 -1.25 0.02 0.00 1.11 0.00 0.00 32.58 32.45 1wgd s HIS 78 CO 0.66 0.39 -0.03 0.08 -0.85 0.00 0.00 174.74 175.00 1wgd s VAL 79 N -1.25 3.15 0.47 -0.90 1.01 -1.26 0.30 120.40 121.92 1wgd s VAL 79 Ca 0.17 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1wgd s VAL 79 Cb -0.10 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1wgd s VAL 79 CO 0.08 0.19 0.50 -0.76 0.00 0.00 0.00 175.10 175.11 1wgd s LEU 80 N 1.37 3.24 -0.31 3.92 2.01 0.46 -4.49 118.68 124.89 1wgd s LEU 80 Ca 0.01 -0.81 -0.02 0.00 0.01 0.00 0.00 54.13 53.32 1wgd s LEU 80 Cb -0.17 -1.91 0.11 0.00 0.01 0.00 0.00 46.19 44.24 1wgd s LEU 80 CO -0.03 -0.90 0.15 -1.00 1.01 0.00 0.00 176.35 175.58 1wgd s HIS 81 N -2.55 0.67 -0.71 0.29 3.76 0.39 0.69 115.29 117.83 1wgd s HIS 81 Ca 0.49 -1.25 -0.21 0.00 -0.15 0.00 0.00 55.06 53.95 1wgd s HIS 81 Cb -0.05 -1.05 0.09 0.00 1.11 0.00 0.00 32.58 32.69 1wgd s HIS 81 CO 0.30 -0.83 0.96 -1.17 -0.85 0.00 0.00 174.74 173.15 1wgd s LEU 82 N 1.70 4.70 0.09 0.89 2.96 -1.18 -1.57 118.68 126.27 1wgd s LEU 82 Ca 0.12 -1.31 -0.21 0.00 -0.22 0.00 0.00 54.13 52.50 1wgd s LEU 82 Cb -0.18 -2.40 -0.07 0.00 0.50 0.00 0.00 46.19 44.04 1wgd s LEU 82 CO -0.24 -1.30 0.63 -0.69 -1.32 0.00 0.00 176.35 173.43 1wgd s VAL 83 N 3.52 4.65 0.18 1.68 1.01 0.23 -4.82 120.40 126.84 1wgd s VAL 83 Ca 0.23 1.36 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 1wgd s VAL 83 Cb -0.15 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1wgd s VAL 83 CO 0.05 0.53 0.75 0.00 0.00 0.00 0.00 175.10 176.43 1wgd n ASN 85 N 1.33 1.60 -0.92 0.00 5.15 -1.23 -4.91 115.26 116.28 1wgd n ASN 85 Ca -0.05 -2.04 0.00 0.00 -0.60 0.00 0.00 54.58 51.89 1wgd n ASN 85 Cb 0.50 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 1wgd n ASN 85 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1wgd n VAL 86 N 0.29 -2.77 -4.63 3.44 3.14 -1.26 -5.01 118.33 111.53 1wgd n VAL 86 Ca 0.09 1.18 -0.23 0.00 -2.96 0.00 0.00 64.34 62.42 1wgd n VAL 86 Cb 0.27 -1.72 -0.16 0.00 -1.06 0.00 0.00 33.84 31.18 1wgd n VAL 86 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1wgd s LYS 87 N -4.73 1.35 0.02 1.45 2.20 -1.26 -4.94 119.74 113.83 1wgd s LYS 87 Ca 0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1wgd s LYS 87 Cb 0.00 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 1wgd s LYS 87 CO 0.00 0.20 0.00 0.45 -0.36 0.00 0.00 175.35 175.64 1wgd n SER 88 N 3.13 -0.18 -4.60 1.43 2.88 -1.26 -5.13 113.62 109.90 1wgd n SER 88 Ca -0.17 0.47 -0.58 0.00 -1.33 0.00 0.00 58.87 57.25 1wgd n SER 88 Cb 0.54 0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 64.52 1wgd n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 89 N -1.02 0.18 3.24 0.46 0.00 -1.26 -4.76 105.19 102.04 1wgd n GLY 89 Ca 0.00 0.80 -0.39 0.00 0.00 0.00 0.00 46.02 46.43 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 2.73 2.28 -3.50 1.61 -0.04 -1.26 -4.88 135.00 131.93 1wgd n PRO 90 Ca 0.22 -2.54 -0.42 0.00 -0.04 0.00 0.00 63.50 60.72 1wgd n PRO 90 Cb 0.10 -3.35 -0.09 0.00 -0.04 0.00 0.00 33.50 30.12 1wgd n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgd s SER 91 N 4.72 5.90 -0.49 3.54 1.04 -1.26 -5.01 113.70 122.14 1wgd s SER 91 Ca 0.57 -1.29 -0.43 0.00 0.48 0.00 0.00 55.95 55.28 1wgd s SER 91 Cb 0.08 -2.09 -0.18 0.00 0.10 0.00 0.00 66.02 63.93 1wgd s SER 91 CO 0.06 -0.55 2.13 -1.54 0.98 0.00 0.00 173.24 174.33 1wgd n SER 92 N 5.07 0.88 0.00 7.02 3.41 -1.26 -5.18 113.62 123.55 1wgd n SER 92 Ca -0.11 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1wgd n SER 92 Cb 0.44 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49