#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 -0.97 0.96 1.61 0.15 -1.26 -5.15 113.70 109.04 1wgd s SER 2 Ca 0.00 1.48 -0.17 0.00 0.70 0.00 0.00 55.95 57.96 1wgd s SER 2 Cb 0.00 1.76 -0.15 0.00 -1.71 0.00 0.00 66.02 65.92 1wgd s SER 2 CO 0.00 -0.23 -0.75 -0.24 1.20 0.00 0.00 173.24 173.23 1wgd n SER 3 N 4.88 -5.84 -3.14 5.45 2.88 -1.26 -4.90 113.62 111.69 1wgd n SER 3 Ca -0.16 0.22 -0.16 0.00 -1.33 0.00 0.00 58.87 57.44 1wgd n SER 3 Cb 0.54 -0.77 0.15 0.00 -0.75 0.00 0.00 64.21 63.38 1wgd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 4 N 3.41 -3.59 3.60 0.46 0.00 -1.26 -4.83 105.19 102.98 1wgd n GLY 4 Ca -0.01 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1wgd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgd s SER 5 N -2.50 6.14 -1.07 1.61 0.15 -1.26 -4.92 113.70 111.85 1wgd s SER 5 Ca 0.35 0.89 -0.06 0.00 0.70 0.00 0.00 55.95 57.83 1wgd s SER 5 Cb -0.06 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 62.00 1wgd s SER 5 CO 0.29 -1.58 1.24 -1.20 1.20 0.00 0.00 173.24 173.19 1wgd n SER 6 N 9.49 5.76 -3.49 5.45 7.64 -1.26 -4.97 113.62 132.25 1wgd n SER 6 Ca 0.18 -3.21 -0.13 0.00 1.01 0.00 0.00 58.87 56.71 1wgd n SER 6 Cb 0.48 -1.29 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 1wgd n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgd s GLY 7 N -0.20 1.26 0.33 0.23 0.00 -1.26 -4.62 107.32 103.06 1wgd s GLY 7 Ca 0.31 -1.38 0.08 0.00 0.00 0.00 0.00 44.72 43.73 1wgd s GLY 7 CO -0.00 -0.94 -0.06 -1.34 0.00 0.00 0.00 173.10 170.76 1wgd s VAL 8 N -3.35 1.94 -0.22 1.40 -7.23 -1.25 -4.89 120.40 106.80 1wgd s VAL 8 Ca 0.29 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1wgd s VAL 8 Cb 0.00 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1wgd s VAL 8 CO 0.17 -0.19 0.10 -0.89 -0.31 0.00 0.00 175.10 173.98 1wgd s THR 9 N -2.80 4.81 -0.31 5.32 2.01 -1.26 0.18 115.64 123.58 1wgd s THR 9 Ca 0.32 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.26 1wgd s THR 9 Cb 0.04 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.37 1wgd s THR 9 CO 0.15 0.38 0.05 -0.76 -0.69 0.00 0.00 174.62 173.75 1wgd s LEU 10 N 1.03 3.98 -0.67 4.42 1.43 0.76 -0.67 118.68 128.96 1wgd s LEU 10 Ca 0.05 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 51.83 1wgd s LEU 10 Cb -0.14 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.34 1wgd s LEU 10 CO 0.03 -0.26 1.04 -0.22 0.23 0.00 0.00 176.35 177.17 1wgd s LEU 11 N 1.36 4.05 -0.42 1.79 2.96 0.14 -1.97 118.68 126.60 1wgd s LEU 11 Ca -0.02 -0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 52.81 1wgd s LEU 11 Cb -0.19 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.02 1wgd s LEU 11 CO 0.01 -1.52 1.36 -0.69 -1.32 0.00 0.00 176.35 174.19 1wgd s VAL 12 N 4.47 3.96 0.27 1.68 1.01 0.53 0.92 120.40 133.24 1wgd s VAL 12 Ca 0.26 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.30 1wgd s VAL 12 Cb -0.14 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1wgd s VAL 12 CO 0.12 -0.78 0.24 -0.54 0.00 0.00 0.00 175.10 174.13 1wgd s LYS 13 N 4.82 2.93 -0.30 2.72 1.02 0.25 -1.77 119.74 129.41 1wgd s LYS 13 Ca 0.59 -1.08 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1wgd s LYS 13 Cb -0.13 -2.58 0.09 0.00 -0.52 0.00 0.00 37.83 34.69 1wgd s LYS 13 CO 0.32 0.33 0.03 -1.12 -0.92 0.00 0.00 175.35 173.99 1wgd s SER 14 N -3.89 4.38 -1.20 2.83 0.01 -1.26 -2.88 113.70 111.68 1wgd s SER 14 Ca 0.35 -1.77 -0.07 0.00 1.31 0.00 0.00 55.95 55.76 1wgd s SER 14 Cb -0.08 -1.35 -0.07 0.00 0.21 0.00 0.00 66.02 64.74 1wgd s SER 14 CO 0.26 -0.34 2.48 -0.81 0.41 0.00 0.00 173.24 175.23 1wgd n PRO 15 N 4.50 2.76 0.00 12.44 -0.04 -1.26 -2.45 135.00 150.94 1wgd n PRO 15 Ca -0.02 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1wgd n PRO 15 Cb 0.42 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.91 0.00 -0.22 3.54 5.15 -1.26 -4.96 115.26 121.43 1wgd n ASN 16 Ca 0.59 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.56 1wgd n ASN 16 Cb 0.18 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.53 1wgd n ASN 16 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1wgd h GLN 17 N 0.00 0.55 -6.39 1.20 4.15 -1.99 -3.46 115.11 109.16 1wgd h GLN 17 Ca 0.00 -0.03 -0.41 0.00 0.77 0.00 0.00 58.65 58.98 1wgd h GLN 17 Cb 0.00 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.58 1wgd h GLN 17 CO 0.00 0.36 -1.07 0.54 -1.93 0.00 0.00 178.83 176.73 1wgd n ARG 18 N -4.87 -1.58 0.10 1.69 1.74 -1.03 -4.89 116.66 107.82 1wgd n ARG 18 Ca 0.08 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 1wgd n ARG 18 Cb 0.22 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1wgd n ARG 18 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1wgd n HIS 19 N -1.32 -1.48 -4.14 -1.55 1.44 -1.26 -5.13 115.22 101.79 1wgd n HIS 19 Ca -0.19 0.26 -0.09 0.00 -2.01 0.00 0.00 57.72 55.69 1wgd n HIS 19 Cb 0.63 0.36 -0.10 0.00 0.12 0.00 0.00 29.99 31.00 1wgd n HIS 19 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wgd s ARG 20 N -1.93 0.84 -0.15 -1.40 0.52 -1.26 -5.15 118.95 110.42 1wgd s ARG 20 Ca 0.00 -1.37 -0.02 0.00 -0.52 0.00 0.00 55.73 53.82 1wgd s ARG 20 Cb 0.00 0.20 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 1wgd s ARG 20 CO 0.00 -0.20 -0.08 -0.51 0.02 0.00 0.00 175.30 174.52 1wgd s ASP 21 N -3.02 4.34 -0.28 0.23 1.01 -1.26 -4.68 116.67 113.01 1wgd s ASP 21 Ca 0.19 -0.26 -0.09 0.00 0.71 0.00 0.00 52.55 53.09 1wgd s ASP 21 Cb 0.08 -1.69 -0.02 0.00 1.01 0.00 0.00 42.92 42.29 1wgd s ASP 21 CO -0.02 0.14 0.14 -0.22 0.21 0.00 0.00 175.17 175.42 1wgd s LEU 22 N 0.50 3.88 -0.16 1.23 2.96 -0.73 -4.93 118.68 121.44 1wgd s LEU 22 Ca -0.06 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1wgd s LEU 22 Cb -0.15 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1wgd s LEU 22 CO 0.03 -0.11 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.18 1wgd s GLU 23 N 1.65 3.50 0.21 1.98 -6.30 -1.26 0.20 118.70 118.68 1wgd s GLU 23 Ca 0.06 -0.61 -0.02 0.00 -2.50 0.00 0.00 54.97 51.90 1wgd s GLU 23 Cb -0.16 -2.81 -0.04 0.00 0.00 0.00 0.00 34.13 31.12 1wgd s GLU 23 CO 0.07 0.15 0.17 -0.48 0.02 0.00 0.00 175.26 175.18 1wgd s LEU 24 N 0.56 1.10 0.76 2.70 2.34 -0.83 -4.95 118.68 120.36 1wgd s LEU 24 Ca -0.05 -1.36 -0.13 0.00 0.06 0.00 0.00 54.13 52.65 1wgd s LEU 24 Cb -0.15 0.51 0.06 0.00 -0.56 0.00 0.00 46.19 46.05 1wgd s LEU 24 CO 0.03 -0.88 1.14 -0.55 -1.06 0.00 0.00 176.35 175.03 1wgd s SER 25 N -3.16 4.24 -0.34 1.48 0.15 -1.26 -0.17 113.70 114.64 1wgd s SER 25 Ca 0.38 2.07 0.16 0.00 0.70 0.00 0.00 55.95 59.26 1wgd s SER 25 Cb 0.06 -2.55 0.43 0.00 -1.71 0.00 0.00 66.02 62.25 1wgd s SER 25 CO 0.12 -2.22 1.00 0.61 1.20 0.00 0.00 173.24 173.96 1wgd n GLY 26 N -0.35 1.66 3.42 9.45 0.00 0.46 -4.60 105.19 115.24 1wgd n GLY 26 Ca 0.11 -1.09 -0.58 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.11 0.04 0.19 1.61 2.03 -1.26 -3.77 116.55 115.27 1wgd n ASP 27 Ca 0.08 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.64 1wgd n ASP 27 Cb 0.81 -0.89 0.64 0.00 -0.72 0.00 0.00 41.12 40.95 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 3.00 0.00 0.00 -0.67 3.08 -1.91 0.20 114.38 118.09 1wgd h ARG 28 Ca -0.49 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.30 1wgd h ARG 28 Cb 1.39 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.40 1wgd h ARG 28 CO 0.65 0.00 -1.52 0.78 -1.07 0.00 0.00 179.97 178.80 1wgd h GLY 29 N 0.00 0.00 -1.57 0.04 0.00 -1.92 -0.51 103.07 99.12 1wgd h GLY 29 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1wgd h GLY 29 CO 0.00 0.00 -1.46 0.79 0.00 0.00 0.00 176.54 175.87 1wgd n TRP 30 N -3.08 -1.46 -4.61 5.60 7.02 0.72 -4.79 117.44 116.84 1wgd n TRP 30 Ca -0.13 0.28 -0.22 0.00 -1.02 0.00 0.00 57.50 56.41 1wgd n TRP 30 Cb 1.00 -1.49 -0.15 0.00 -2.42 0.00 0.00 31.31 28.25 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 -1.61 1.58 0.48 -0.99 0.01 -1.26 -3.42 113.70 108.48 1wgd s SER 31 Ca 0.48 -0.24 0.27 0.00 1.31 0.00 0.00 55.95 57.77 1wgd s SER 31 Cb -0.05 -0.20 1.33 0.00 0.21 0.00 0.00 66.02 67.31 1wgd s SER 31 CO 0.62 0.16 1.83 0.58 0.41 0.00 0.00 173.24 176.84 1wgd h VAL 32 N 4.86 0.52 0.00 3.43 2.07 -1.12 1.85 116.25 127.86 1wgd h VAL 32 Ca -0.34 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 1wgd h VAL 32 Cb 1.16 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1wgd h VAL 32 CO 0.49 0.03 -0.47 1.23 0.02 0.00 0.00 177.57 178.87 1wgd h GLY 33 N 0.18 0.00 0.17 2.17 0.00 -1.46 -3.13 103.07 100.99 1wgd h GLY 33 Ca 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.63 1wgd h GLY 33 CO -0.12 0.00 -1.14 0.84 0.00 0.00 0.00 176.54 176.12 1wgd h HIS 34 N 0.00 0.13 -0.53 5.60 6.17 0.16 -3.35 115.15 123.33 1wgd h HIS 34 Ca -0.00 -0.10 0.08 0.00 0.71 0.00 0.00 60.37 61.06 1wgd h HIS 34 Cb 1.30 -0.01 -0.10 0.00 2.52 0.00 0.00 27.41 31.13 1wgd h HIS 34 CO 0.00 1.45 -0.45 1.25 0.71 0.00 0.00 177.93 180.89 1wgd h LEU 35 N -0.77 -1.52 -0.23 0.26 5.85 0.20 -1.29 115.31 117.81 1wgd h LEU 35 Ca -0.29 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1wgd h LEU 35 Cb 1.41 0.68 -0.03 0.00 0.37 0.00 0.00 40.66 43.09 1wgd h LEU 35 CO -0.10 -0.35 -0.14 0.29 -0.34 0.00 0.00 178.44 177.81 1wgd n LYS 36 N -5.40 -0.10 -0.36 1.25 5.02 -1.18 0.19 118.16 117.57 1wgd n LYS 36 Ca 0.01 1.09 0.04 0.00 -2.02 0.00 0.00 58.31 57.43 1wgd n LYS 36 Cb 0.35 -1.63 0.12 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 -0.62 0.54 -0.56 7.82 0.00 -1.44 1.70 119.26 126.69 1wgd h ALA 37 Ca 0.04 0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1wgd h ALA 37 Cb 0.10 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1wgd h ALA 37 CO -0.22 -0.44 0.35 1.25 0.00 0.00 0.00 179.25 180.19 1wgd h HIS 38 N -0.00 0.73 0.90 0.00 -0.00 0.11 -2.65 115.15 114.23 1wgd h HIS 38 Ca 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.77 1wgd h HIS 38 Cb 0.69 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1wgd h HIS 38 CO -0.79 0.49 -0.43 -0.07 -0.00 0.00 0.00 177.93 177.13 1wgd h LEU 39 N 0.75 -1.03 -1.84 0.26 3.38 1.29 -1.95 115.31 116.18 1wgd h LEU 39 Ca 0.20 0.04 0.53 0.00 0.09 0.00 0.00 57.88 58.74 1wgd h LEU 39 Cb -0.04 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1wgd h LEU 39 CO -0.04 -0.72 1.35 -1.54 0.09 0.00 0.00 178.44 177.58 1wgd n SER 40 N -5.37 0.00 0.05 -0.43 3.41 0.38 0.26 113.62 111.94 1wgd n SER 40 Ca -0.15 0.93 -0.02 0.00 -0.26 0.00 0.00 58.87 59.37 1wgd n SER 40 Cb 0.48 -0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1wgd n SER 40 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wgd h ARG 41 N 0.00 -0.14 -0.10 4.33 1.12 -1.00 -3.14 114.38 115.46 1wgd h ARG 41 Ca 0.87 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.78 1wgd h ARG 41 Cb 3.56 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 33.55 1wgd h ARG 41 CO -0.01 -0.10 0.32 -0.39 -3.11 0.00 0.00 179.97 176.68 1wgd h VAL 42 N -0.26 0.11 -3.34 0.20 -1.51 -0.28 -3.39 116.25 107.79 1wgd h VAL 42 Ca -0.02 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.88 1wgd h VAL 42 Cb 0.11 0.70 -0.06 0.00 -2.13 0.00 0.00 31.29 29.92 1wgd h VAL 42 CO 0.03 0.00 0.28 -0.47 -1.23 0.00 0.00 177.57 176.18 1wgd s TYR 43 N -4.25 3.48 -0.71 5.19 5.04 0.14 -4.99 117.35 121.26 1wgd s TYR 43 Ca -0.04 1.27 -0.26 0.00 -2.44 0.00 0.00 57.07 55.60 1wgd s TYR 43 Cb 0.11 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.47 1wgd s TYR 43 CO 0.36 -0.12 1.58 -1.25 -1.34 0.00 0.00 175.55 174.78 1wgd s PRO 44 N 1.65 2.93 0.00 4.97 0.04 -1.26 -2.99 135.00 140.34 1wgd s PRO 44 Ca 0.39 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1wgd s PRO 44 Cb -0.17 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1wgd s PRO 44 CO 0.15 -2.48 0.00 -0.85 0.04 0.00 0.00 177.00 173.86 1wgd n GLU 45 N 9.24 0.00 -3.16 4.56 0.28 -1.26 -4.98 120.64 125.31 1wgd n GLU 45 Ca 0.15 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 1wgd n GLU 45 Cb 0.50 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.44 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 -2.30 -2.54 3.44 3.00 -1.16 -4.97 116.66 112.14 1wgd n ARG 46 Ca 0.00 0.82 -0.35 0.00 -0.01 0.00 0.00 57.85 58.31 1wgd n ARG 46 Cb 0.00 -5.61 -0.04 0.00 0.00 0.00 0.00 32.46 26.81 1wgd n ARG 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wgd s PRO 47 N -4.35 4.00 0.57 5.56 0.04 -1.26 -5.01 135.00 134.55 1wgd s PRO 47 Ca 0.42 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 1wgd s PRO 47 Cb -0.05 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1wgd s PRO 47 CO 0.70 -0.27 1.26 1.03 0.04 0.00 0.00 177.00 179.75 1wgd s ARG 48 N -2.82 3.08 0.28 4.56 0.52 -1.26 -4.63 118.95 118.67 1wgd s ARG 48 Ca 0.62 1.98 0.13 0.00 -0.52 0.00 0.00 55.73 57.94 1wgd s ARG 48 Cb -0.20 -2.09 0.31 0.00 0.52 0.00 0.00 34.95 33.49 1wgd s ARG 48 CO 0.24 -1.16 1.56 -1.00 0.02 0.00 0.00 175.30 174.96 1wgd h PRO 49 N 1.19 0.00 -1.53 3.54 0.13 -1.94 -2.64 132.00 130.76 1wgd h PRO 49 Ca -0.50 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 1wgd h PRO 49 Cb 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1wgd h PRO 49 CO 0.56 0.59 0.37 0.39 -0.23 0.00 0.00 178.00 179.69 1wgd n GLU 50 N -3.53 1.71 0.00 0.86 -0.58 -1.26 -3.82 120.64 114.02 1wgd n GLU 50 Ca -0.00 -1.41 0.00 0.00 -0.42 0.00 0.00 57.16 55.33 1wgd n GLU 50 Cb 0.66 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 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 0.41 0.00 -4.49 1.62 8.00 -1.20 -5.06 116.55 115.83 1wgd n ASP 51 Ca 0.27 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 1wgd n ASP 51 Cb 0.60 0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 41.79 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 -2.10 0.20 -2.51 -1.24 6.02 -1.00 -4.65 117.38 112.10 1wgd n GLN 52 Ca 0.00 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1wgd n GLN 52 Cb 0.00 -1.83 -0.02 0.00 1.02 0.00 0.00 30.24 29.41 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 8.56 4.02 -0.34 -1.09 0.52 -0.93 -4.90 118.95 124.78 1wgd s ARG 53 Ca 1.28 1.24 -0.13 0.00 -0.52 0.00 0.00 55.73 57.60 1wgd s ARG 53 Cb -1.10 -3.80 -0.02 0.00 0.52 0.00 0.00 34.95 30.55 1wgd s ARG 53 CO 0.47 -0.97 0.26 -0.51 0.02 0.00 0.00 175.30 174.57 1wgd s LEU 54 N 3.96 4.51 -0.19 2.53 1.02 -1.26 -0.06 118.68 129.18 1wgd s LEU 54 Ca 0.52 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 54.27 1wgd s LEU 54 Cb -0.16 -2.17 0.01 0.00 0.02 0.00 0.00 46.19 43.89 1wgd s LEU 54 CO 0.19 -0.25 -0.15 -0.63 0.02 0.00 0.00 176.35 175.53 1wgd s ILE 55 N 1.78 2.51 -0.48 -0.59 1.09 0.37 0.79 121.20 126.67 1wgd s ILE 55 Ca 0.07 -0.79 -0.11 0.00 -1.10 0.00 0.00 60.65 58.72 1wgd s ILE 55 Cb -0.17 -2.09 0.12 0.00 -1.06 0.00 0.00 42.46 39.25 1wgd s ILE 55 CO 0.11 0.50 0.37 -0.47 -0.10 0.00 0.00 174.94 175.34 1wgd s TYR 56 N 1.35 3.37 -1.76 3.97 5.04 0.22 0.19 117.35 129.73 1wgd s TYR 56 Ca 0.05 -1.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.00 1wgd s TYR 56 Cb -0.13 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1wgd s TYR 56 CO -0.10 -0.98 0.00 0.45 -1.34 0.00 0.00 175.55 173.59 1wgd n SER 57 N 4.99 -5.08 0.00 4.32 2.88 -1.23 -0.80 113.62 118.70 1wgd n SER 57 Ca -0.10 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1wgd n SER 57 Cb 0.41 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 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 -0.89 1.32 3.56 0.46 0.00 -1.26 -5.05 105.19 103.34 1wgd n GLY 58 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.74 3.52 0.32 1.61 3.01 0.02 -5.01 119.74 122.46 1wgd s LYS 59 Ca 0.00 0.06 -0.29 0.00 -1.01 0.00 0.00 55.97 54.74 1wgd s LYS 59 Cb 0.00 -3.91 -0.10 0.00 -1.01 0.00 0.00 37.83 32.81 1wgd s LYS 59 CO 0.00 -1.10 1.31 -1.17 0.51 0.00 0.00 175.35 174.90 1wgd s LEU 60 N 3.40 4.43 0.14 3.17 1.98 -1.26 0.70 118.68 131.23 1wgd s LEU 60 Ca 0.32 2.65 -0.02 0.00 -2.89 0.00 0.00 54.13 54.19 1wgd s LEU 60 Cb -0.12 -3.64 -0.05 0.00 0.66 0.00 0.00 46.19 43.04 1wgd s LEU 60 CO 0.23 -0.53 0.33 -0.76 -1.89 0.00 0.00 176.35 173.73 1wgd s LEU 61 N -1.57 4.28 0.00 -0.68 1.43 0.24 -4.89 118.68 117.49 1wgd s LEU 61 Ca 0.50 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1wgd s LEU 61 Cb -0.39 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1wgd s LEU 61 CO 0.51 0.06 0.00 0.18 0.23 0.00 0.00 176.35 177.33 1wgd n LEU 62 N -0.07 0.78 0.00 1.79 4.77 -1.26 -4.65 117.00 118.37 1wgd n LEU 62 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1wgd n LEU 62 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1wgd n LEU 62 CO 0.50 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.66 1wgd n ASP 63 N -0.22 0.00 0.08 -1.43 5.75 -1.26 -4.82 116.55 114.65 1wgd n ASP 63 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 1wgd n ASP 63 Cb 0.00 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.47 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 0.35 -2.52 2.11 2.07 -1.96 -0.97 115.15 114.23 1wgd h HIS 64 Ca 0.00 -0.03 -0.60 0.00 -2.85 0.00 0.00 60.37 56.89 1wgd h HIS 64 Cb 0.00 -0.10 0.15 0.00 2.57 0.00 0.00 27.41 30.02 1wgd h HIS 64 CO 0.00 0.39 -0.33 1.04 -3.07 0.00 0.00 177.93 175.97 1wgd n GLN 65 N -4.31 0.66 -4.08 5.12 6.02 -1.26 -4.73 117.38 114.80 1wgd n GLN 65 Ca 0.00 0.24 -0.32 0.00 -0.01 0.00 0.00 57.00 56.92 1wgd n GLN 65 Cb 0.23 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 29.82 1wgd n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wgd h LEU 67 N 3.70 0.89 -0.31 0.00 3.38 -1.61 -0.89 115.31 120.47 1wgd h LEU 67 Ca -0.48 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1wgd h LEU 67 Cb 1.17 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1wgd h LEU 67 CO 0.64 0.56 -0.33 -0.09 0.09 0.00 0.00 178.44 179.31 1wgd h ARG 68 N 1.00 -0.18 0.71 1.13 2.43 -1.35 0.70 114.38 118.83 1wgd h ARG 68 Ca 0.40 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1wgd h ARG 68 Cb 0.25 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1wgd h ARG 68 CO -0.16 -0.12 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.40 1wgd h ASP 69 N -0.19 -0.81 0.00 -3.80 5.19 -1.77 -3.30 116.42 111.74 1wgd h ASP 69 Ca 0.05 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1wgd h ASP 69 Cb 0.33 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1wgd h ASP 69 CO -0.39 -0.53 0.00 0.18 -3.12 0.00 0.00 179.24 175.38 1wgd n LEU 70 N -5.47 0.00 -4.72 1.55 4.77 -0.37 -4.46 117.00 108.30 1wgd n LEU 70 Ca -0.14 0.63 -0.36 0.00 -0.03 0.00 0.00 56.01 56.11 1wgd n LEU 70 Cb 0.39 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1wgd n LEU 70 CO 0.37 -0.13 0.86 -0.76 -1.33 0.00 0.00 177.39 176.40 1wgd s LEU 71 N -2.99 3.42 0.00 2.23 1.43 0.24 -5.02 118.68 117.99 1wgd s LEU 71 Ca 0.00 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1wgd s LEU 71 Cb 0.00 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1wgd s LEU 71 CO 0.00 -2.23 0.00 -0.81 0.23 0.00 0.00 176.35 173.54 1wgd n PRO 72 N -2.40 0.54 -1.27 1.29 -0.04 -1.26 -4.72 135.00 127.14 1wgd n PRO 72 Ca 0.15 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 1wgd n PRO 72 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 1wgd n PRO 72 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wgd n LYS 73 N -0.38 2.71 0.00 0.54 2.85 -1.26 -4.73 118.16 117.89 1wgd n LYS 73 Ca 0.00 -2.09 0.00 0.00 -1.05 0.00 0.00 58.31 55.17 1wgd n LYS 73 Cb 0.00 -2.88 0.00 0.00 -0.65 0.00 0.00 35.03 31.50 1wgd n LYS 73 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1wgd n GLN 74 N 5.05 0.00 0.00 -1.58 7.27 -1.26 -4.83 117.38 122.02 1wgd n GLN 74 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.65 1wgd n GLN 74 Cb 0.28 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.93 1wgd n GLN 74 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1wgd n GLU 75 N 0.00 0.00 -3.84 3.69 1.02 -1.26 -4.59 120.64 115.66 1wgd n GLU 75 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1wgd n GLU 75 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1wgd n GLU 75 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wgd s LYS 76 N 0.00 2.07 0.06 3.49 -2.85 -1.26 -5.12 119.74 116.12 1wgd s LYS 76 Ca 0.00 -1.31 -0.37 0.00 -1.00 0.00 0.00 55.97 53.29 1wgd s LYS 76 Cb 0.00 0.61 -0.19 0.00 -2.06 0.00 0.00 37.83 36.19 1wgd s LYS 76 CO 0.00 -0.96 1.00 0.54 0.10 0.00 0.00 175.35 176.03 1wgd n ARG 77 N -0.51 0.20 -3.60 1.78 1.74 -1.26 -4.92 116.66 110.10 1wgd n ARG 77 Ca -0.06 0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.75 1wgd n ARG 77 Cb 0.60 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.17 3.57 -0.26 -1.55 3.76 0.15 -5.00 115.29 115.80 1wgd s HIS 78 Ca 0.84 0.75 -0.02 0.00 -0.15 0.00 0.00 55.06 56.48 1wgd s HIS 78 Cb -1.14 -2.13 0.03 0.00 1.11 0.00 0.00 32.58 30.45 1wgd s HIS 78 CO 0.55 0.52 -0.05 0.08 -0.85 0.00 0.00 174.74 174.99 1wgd s VAL 79 N -1.42 2.88 0.32 -0.90 1.01 -1.26 0.24 120.40 121.27 1wgd s VAL 79 Ca 0.33 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1wgd s VAL 79 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1wgd s VAL 79 CO 0.18 0.11 0.23 -0.76 0.00 0.00 0.00 175.10 174.87 1wgd s LEU 80 N 1.30 3.55 -0.35 3.92 2.01 0.26 -3.55 118.68 125.82 1wgd s LEU 80 Ca -0.02 -0.52 0.00 0.00 0.01 0.00 0.00 54.13 53.61 1wgd s LEU 80 Cb -0.18 -2.12 0.11 0.00 0.01 0.00 0.00 46.19 44.01 1wgd s LEU 80 CO -0.04 -0.28 0.14 -1.00 1.01 0.00 0.00 176.35 176.19 1wgd s HIS 81 N -2.30 1.90 -0.58 0.29 3.76 0.50 0.88 115.29 119.74 1wgd s HIS 81 Ca 0.39 -2.02 -0.22 0.00 -0.15 0.00 0.00 55.06 53.05 1wgd s HIS 81 Cb -0.06 -1.83 0.06 0.00 1.11 0.00 0.00 32.58 31.86 1wgd s HIS 81 CO 0.25 -0.85 0.86 -1.17 -0.85 0.00 0.00 174.74 172.98 1wgd s LEU 82 N 1.19 4.47 0.17 0.89 2.96 -1.14 -0.48 118.68 126.74 1wgd s LEU 82 Ca 0.12 -0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 53.07 1wgd s LEU 82 Cb -0.20 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 1wgd s LEU 82 CO -0.16 -1.21 0.71 -0.69 -1.32 0.00 0.00 176.35 173.68 1wgd s VAL 83 N 3.60 4.53 0.01 1.68 1.01 0.91 -4.81 120.40 127.34 1wgd s VAL 83 Ca 0.23 1.42 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 1wgd s VAL 83 Cb -0.16 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1wgd s VAL 83 CO 0.14 0.41 0.60 0.00 0.00 0.00 0.00 175.10 176.24 1wgd s ASN 85 N -0.38 5.18 -0.79 0.00 4.22 -1.26 -4.83 114.94 117.08 1wgd s ASN 85 Ca 0.31 -0.56 -0.17 0.00 -2.14 0.00 0.00 52.86 50.30 1wgd s ASN 85 Cb -0.19 -2.56 -0.13 0.00 1.28 0.00 0.00 41.25 39.66 1wgd s ASN 85 CO 0.18 -2.67 1.96 1.33 -2.04 0.00 0.00 177.10 175.85 1wgd n VAL 86 N 7.77 1.95 -3.96 3.54 0.24 -1.26 -4.77 118.33 121.83 1wgd n VAL 86 Ca 0.37 -1.52 -0.32 0.00 -2.04 0.00 0.00 64.34 60.83 1wgd n VAL 86 Cb 0.48 -2.26 -0.14 0.00 -1.47 0.00 0.00 33.84 30.45 1wgd n VAL 86 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1wgd s LYS 87 N 4.58 1.69 -0.45 7.34 2.47 -1.26 -4.85 119.74 129.26 1wgd s LYS 87 Ca 0.52 -1.80 -0.36 0.00 -1.56 0.00 0.00 55.97 52.77 1wgd s LYS 87 Cb 0.13 -3.27 0.05 0.00 -1.46 0.00 0.00 37.83 33.28 1wgd s LYS 87 CO 0.08 -0.93 0.66 0.45 0.16 0.00 0.00 175.35 175.76 1wgd n SER 88 N 4.36 -5.88 -4.71 1.43 2.88 -1.26 -4.86 113.62 105.58 1wgd n SER 88 Ca 0.01 -0.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.14 1wgd n SER 88 Cb 0.42 -2.24 0.11 0.00 -0.75 0.00 0.00 64.21 61.75 1wgd n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgd s GLY 89 N -1.66 2.38 0.40 0.46 0.00 -1.26 -4.97 107.32 102.68 1wgd s GLY 89 Ca 0.36 0.96 -0.24 0.00 0.00 0.00 0.00 44.72 45.81 1wgd s GLY 89 CO 0.86 1.38 1.05 2.56 0.00 0.00 0.00 173.10 178.96 1wgd s PRO 90 N -3.89 4.14 0.19 2.90 0.04 -1.26 -4.95 135.00 132.17 1wgd s PRO 90 Ca 0.76 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 1wgd s PRO 90 Cb -0.31 -2.53 0.15 0.00 0.04 0.00 0.00 34.50 31.84 1wgd s PRO 90 CO 0.47 -0.16 1.61 0.77 0.04 0.00 0.00 177.00 179.73 1wgd h SER 91 N 2.47 -0.84 -3.11 6.66 0.02 -2.04 -3.47 113.55 113.23 1wgd h SER 91 Ca -0.48 0.19 0.31 0.00 -0.84 0.00 0.00 61.79 60.96 1wgd h SER 91 Cb 1.22 0.45 -0.15 0.00 0.14 0.00 0.00 62.40 64.06 1wgd h SER 91 CO 0.62 -0.26 -0.96 -0.24 -1.14 0.00 0.00 176.83 174.85 1wgd n SER 92 N -5.42 -6.98 0.00 3.07 2.88 -1.26 -5.33 113.62 100.57 1wgd n SER 92 Ca 0.04 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1wgd n SER 92 Cb 0.33 -4.39 0.00 0.00 -0.75 0.00 0.00 64.21 59.40 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42