#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 0.22 -1.55 1.61 7.64 -1.26 -5.15 113.62 115.13 1wgd n SER 2 Ca 0.00 0.07 0.06 0.00 1.01 0.00 0.00 58.87 60.01 1wgd n SER 2 Cb 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 1wgd n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgd n SER 3 N -3.05 -8.37 -3.60 6.43 7.64 -1.26 -5.07 113.62 106.35 1wgd n SER 3 Ca 0.00 1.77 -0.05 0.00 1.01 0.00 0.00 58.87 61.60 1wgd n SER 3 Cb 0.26 -5.13 -0.02 0.00 -1.01 0.00 0.00 64.21 58.30 1wgd n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgd s GLY 4 N -6.08 -0.27 -0.18 0.23 0.00 -1.26 -5.07 107.32 94.69 1wgd s GLY 4 Ca 0.00 1.69 -0.09 0.00 0.00 0.00 0.00 44.72 46.32 1wgd s GLY 4 CO 0.00 0.59 0.17 -1.26 0.00 0.00 0.00 173.10 172.60 1wgd n SER 5 N -0.01 -6.77 -0.01 1.64 2.88 -1.26 -4.98 113.62 105.11 1wgd n SER 5 Ca -0.00 0.52 -0.04 0.00 -1.33 0.00 0.00 58.87 58.02 1wgd n SER 5 Cb 0.58 -2.65 -0.01 0.00 -0.75 0.00 0.00 64.21 61.38 1wgd n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgd n SER 6 N 0.77 1.46 0.00 -3.46 7.64 -1.26 -5.14 113.62 113.63 1wgd n SER 6 Ca -0.01 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wgd n SER 6 Cb 0.43 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1wgd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 7 N 2.63 0.16 3.45 0.23 0.00 -1.26 -4.51 105.19 105.90 1wgd n GLY 7 Ca -0.06 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 1.86 -0.33 1.61 -7.23 -1.25 -4.86 120.40 110.19 1wgd s VAL 8 Ca 0.00 -2.18 -0.09 0.00 -1.81 0.00 0.00 61.98 57.90 1wgd s VAL 8 Cb 0.00 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1wgd s VAL 8 CO 0.00 -0.31 0.15 -0.89 -0.31 0.00 0.00 175.10 173.74 1wgd s THR 9 N -2.87 4.36 -0.21 5.32 2.01 -1.26 0.19 115.64 123.18 1wgd s THR 9 Ca 0.30 -0.72 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 1wgd s THR 9 Cb 0.02 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1wgd s THR 9 CO 0.13 -0.07 0.36 -0.76 -0.69 0.00 0.00 174.62 173.59 1wgd s LEU 10 N 1.54 4.14 -0.64 4.42 1.43 0.15 -1.44 118.68 128.28 1wgd s LEU 10 Ca 0.02 0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.37 1wgd s LEU 10 Cb -0.18 -2.45 0.10 0.00 0.03 0.00 0.00 46.19 43.69 1wgd s LEU 10 CO 0.05 -0.07 0.80 -0.76 0.23 0.00 0.00 176.35 176.60 1wgd s LEU 11 N 1.34 5.19 -0.37 1.79 1.43 0.45 -2.10 118.68 126.42 1wgd s LEU 11 Ca 0.17 -1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 51.54 1wgd s LEU 11 Cb -0.15 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1wgd s LEU 11 CO 0.08 -1.16 1.35 -0.69 0.23 0.00 0.00 176.35 176.15 1wgd s VAL 12 N 2.90 4.02 0.34 -1.59 1.01 0.17 0.18 120.40 127.43 1wgd s VAL 12 Ca 0.16 1.09 0.09 0.00 0.00 0.00 0.00 61.98 63.31 1wgd s VAL 12 Cb -0.20 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1wgd s VAL 12 CO 0.05 -0.66 0.07 -0.54 0.00 0.00 0.00 175.10 174.02 1wgd s LYS 13 N 4.60 2.19 -0.05 2.72 1.02 0.35 -2.07 119.74 128.49 1wgd s LYS 13 Ca 0.58 -1.69 0.02 0.00 0.02 0.00 0.00 55.97 54.91 1wgd s LYS 13 Cb -0.14 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 1wgd s LYS 13 CO 0.29 0.11 -0.11 0.45 -0.92 0.00 0.00 175.35 175.16 1wgd s SER 14 N -3.77 1.62 -1.11 2.83 0.15 -1.26 -2.04 113.70 110.12 1wgd s SER 14 Ca 0.36 -0.27 -0.18 0.00 0.70 0.00 0.00 55.95 56.56 1wgd s SER 14 Cb -0.01 -0.67 -0.06 0.00 -1.71 0.00 0.00 66.02 63.57 1wgd s SER 14 CO 0.21 0.04 2.05 -0.81 1.20 0.00 0.00 173.24 175.92 1wgd n PRO 15 N 3.68 2.17 0.00 5.44 -0.04 -1.26 -3.05 135.00 141.94 1wgd n PRO 15 Ca -0.22 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 60.97 1wgd n PRO 15 Cb 0.52 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 7.28 0.00 -1.61 3.54 2.85 -1.26 -5.07 115.26 120.99 1wgd n ASN 16 Ca 0.50 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.96 1wgd n ASN 16 Cb 0.40 0.20 0.01 0.00 1.24 0.00 0.00 39.78 41.63 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 -1.85 -0.25 0.00 1.20 7.27 -1.17 -5.00 117.38 117.57 1wgd n GLN 17 Ca 0.00 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1wgd n GLN 17 Cb 0.00 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 30.65 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 -1.62 0.00 -2.37 3.69 1.74 -1.26 -5.10 116.66 111.74 1wgd n ARG 18 Ca -0.01 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 1wgd n ARG 18 Cb 0.51 -0.31 0.12 0.00 -1.02 0.00 0.00 32.46 31.77 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 -1.81 1.79 0.15 -1.55 3.76 -1.26 -5.09 115.29 111.28 1wgd s HIS 19 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 1wgd s HIS 19 Cb 0.00 -3.30 -0.05 0.00 1.11 0.00 0.00 32.58 30.34 1wgd s HIS 19 CO 0.00 -1.89 0.34 1.03 -0.85 0.00 0.00 174.74 173.37 1wgd s ARG 20 N -5.34 3.53 0.99 1.40 3.00 -1.26 -4.97 118.95 116.31 1wgd s ARG 20 Ca 0.67 -0.29 -0.11 0.00 0.00 0.00 0.00 55.73 56.00 1wgd s ARG 20 Cb -0.06 -2.89 0.18 0.00 0.00 0.00 0.00 34.95 32.19 1wgd s ARG 20 CO 0.46 0.47 1.09 0.16 0.00 0.00 0.00 175.30 177.48 1wgd s ASP 21 N -2.80 2.49 -0.17 0.23 1.47 -1.26 -4.97 116.67 111.66 1wgd s ASP 21 Ca 0.38 1.73 -0.04 0.00 1.18 0.00 0.00 52.55 55.81 1wgd s ASP 21 Cb -0.12 -2.35 0.06 0.00 -0.34 0.00 0.00 42.92 40.17 1wgd s ASP 21 CO 0.27 -3.30 0.06 -0.22 0.68 0.00 0.00 175.17 172.67 1wgd s LEU 22 N -6.67 0.71 -0.50 2.11 2.96 -0.88 -4.96 118.68 111.44 1wgd s LEU 22 Ca 0.66 -0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 53.74 1wgd s LEU 22 Cb -0.22 -0.40 0.07 0.00 0.50 0.00 0.00 46.19 46.15 1wgd s LEU 22 CO 0.60 -0.32 0.53 -1.61 -1.32 0.00 0.00 176.35 174.23 1wgd s GLU 23 N 2.01 3.05 0.31 1.98 2.02 -1.26 -0.65 118.70 126.16 1wgd s GLU 23 Ca 0.01 -1.18 0.07 0.00 0.02 0.00 0.00 54.97 53.89 1wgd s GLU 23 Cb -0.16 -4.14 -0.06 0.00 0.10 0.00 0.00 34.13 29.86 1wgd s GLU 23 CO -0.08 -1.18 -0.05 -0.48 0.02 0.00 0.00 175.26 173.48 1wgd s LEU 24 N 2.17 2.55 0.88 1.80 2.34 -0.89 -4.92 118.68 122.60 1wgd s LEU 24 Ca 0.09 -1.23 -0.11 0.00 0.06 0.00 0.00 54.13 52.95 1wgd s LEU 24 Cb -0.22 -0.73 0.12 0.00 -0.56 0.00 0.00 46.19 44.80 1wgd s LEU 24 CO 0.09 -0.34 1.10 -0.55 -1.06 0.00 0.00 176.35 175.59 1wgd s SER 25 N -3.51 3.44 -0.37 1.48 0.15 -1.26 0.35 113.70 113.97 1wgd s SER 25 Ca 0.31 1.85 0.12 0.00 0.70 0.00 0.00 55.95 58.93 1wgd s SER 25 Cb 0.04 -2.45 0.41 0.00 -1.71 0.00 0.00 66.02 62.32 1wgd s SER 25 CO 0.14 -2.72 1.25 0.61 1.20 0.00 0.00 173.24 173.72 1wgd n GLY 26 N -0.54 1.41 3.43 9.45 0.00 0.52 -4.51 105.19 114.95 1wgd n GLY 26 Ca 0.09 -0.45 -0.58 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.48 0.07 0.30 1.61 2.03 -1.26 -3.91 116.55 114.90 1wgd n ASP 27 Ca -0.00 1.13 0.13 0.00 0.52 0.00 0.00 54.79 56.57 1wgd n ASP 27 Cb 0.84 -0.90 0.64 0.00 -0.72 0.00 0.00 41.12 40.99 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 3.05 0.00 0.05 -0.67 3.08 -1.93 1.13 114.38 119.09 1wgd h ARG 28 Ca -0.49 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.32 1wgd h ARG 28 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1wgd h ARG 28 CO 0.66 0.00 -1.10 0.78 -1.07 0.00 0.00 179.97 179.24 1wgd h GLY 29 N 0.00 0.12 -2.32 0.04 0.00 -1.96 -2.26 103.07 96.68 1wgd h GLY 29 Ca 0.03 -0.30 -0.52 0.00 0.00 0.00 0.00 47.33 46.54 1wgd h GLY 29 CO -0.00 0.27 -1.65 0.79 0.00 0.00 0.00 176.54 175.95 1wgd n TRP 30 N -3.42 -2.97 -5.00 5.60 7.02 0.39 -4.75 117.44 114.30 1wgd n TRP 30 Ca -0.03 0.20 -0.29 0.00 -1.02 0.00 0.00 57.50 56.36 1wgd n TRP 30 Cb 0.97 -1.52 -0.17 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 -1.35 2.58 0.31 -0.99 0.01 -1.26 -3.41 113.70 109.59 1wgd s SER 31 Ca 0.45 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1wgd s SER 31 Cb -0.12 -1.01 0.85 0.00 0.21 0.00 0.00 66.02 65.95 1wgd s SER 31 CO 0.73 0.14 1.53 0.52 0.41 0.00 0.00 173.24 176.57 1wgd n VAL 32 N 3.42 -0.41 -0.14 3.43 0.31 -1.02 0.21 118.33 124.12 1wgd n VAL 32 Ca -0.19 2.11 -0.11 0.00 -0.01 0.00 0.00 64.34 66.14 1wgd n VAL 32 Cb 0.53 -3.15 -0.01 0.00 -0.91 0.00 0.00 33.84 30.30 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 0.90 0.62 2.92 0.00 -1.28 -2.84 103.07 103.39 1wgd h GLY 33 Ca 0.63 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1wgd h GLY 33 CO -0.89 0.70 -0.09 0.84 0.00 0.00 0.00 176.54 177.10 1wgd h HIS 34 N 0.65 -0.24 -0.99 5.60 6.17 0.20 -3.22 115.15 123.34 1wgd h HIS 34 Ca 0.10 -0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.28 1wgd h HIS 34 Cb 0.67 0.08 -0.13 0.00 2.52 0.00 0.00 27.41 30.55 1wgd h HIS 34 CO 0.05 0.11 -0.53 -0.11 0.71 0.00 0.00 177.93 178.17 1wgd n LEU 35 N -5.04 -0.94 -0.31 0.26 7.94 0.57 -0.23 117.00 119.25 1wgd n LEU 35 Ca -0.09 1.75 -0.08 0.00 -1.11 0.00 0.00 56.01 56.48 1wgd n LEU 35 Cb 0.24 -0.27 -0.07 0.00 0.53 0.00 0.00 43.42 43.85 1wgd n LEU 35 CO 0.31 -1.46 0.44 0.29 -1.11 0.00 0.00 177.39 175.85 1wgd n LYS 36 N -5.30 -0.32 -0.17 1.96 5.02 -1.08 0.94 118.16 119.22 1wgd n LYS 36 Ca 0.04 1.28 -0.11 0.00 -2.02 0.00 0.00 58.31 57.50 1wgd n LYS 36 Cb 0.30 -1.88 -0.07 0.00 -0.02 0.00 0.00 35.03 33.36 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 0.19 -0.54 -0.81 7.82 0.00 -0.63 0.48 119.26 125.77 1wgd h ALA 37 Ca 0.12 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.25 1wgd h ALA 37 Cb 0.30 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 1wgd h ALA 37 CO -0.69 -0.93 0.34 1.25 0.00 0.00 0.00 179.25 179.22 1wgd h HIS 38 N -0.32 0.57 0.41 0.00 -0.00 0.83 -1.85 115.15 114.79 1wgd h HIS 38 Ca 0.13 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1wgd h HIS 38 Cb 0.58 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1wgd h HIS 38 CO -0.70 0.03 -0.26 -0.07 -0.00 0.00 0.00 177.93 176.92 1wgd h LEU 39 N 0.44 -0.67 -1.83 0.26 3.38 0.49 -1.35 115.31 116.04 1wgd h LEU 39 Ca 0.47 0.04 0.53 0.00 0.09 0.00 0.00 57.88 59.01 1wgd h LEU 39 Cb 0.78 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1wgd h LEU 39 CO -0.45 -0.40 1.31 -0.24 0.09 0.00 0.00 178.44 178.75 1wgd n SER 40 N -3.96 0.01 0.05 -0.43 2.88 0.93 0.20 113.62 113.30 1wgd n SER 40 Ca -0.08 0.95 -0.13 0.00 -1.33 0.00 0.00 58.87 58.29 1wgd n SER 40 Cb 0.27 -0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.15 0.00 -1.46 1.12 -0.50 -3.05 114.38 110.34 1wgd h ARG 41 Ca 0.88 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.76 1wgd h ARG 41 Cb 3.50 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 33.50 1wgd h ARG 41 CO -0.04 0.26 0.00 -0.39 -3.11 0.00 0.00 179.97 176.69 1wgd h VAL 42 N -0.62 0.00 -3.35 0.20 -1.51 0.28 -3.44 116.25 107.81 1wgd h VAL 42 Ca -0.02 -0.47 -0.57 0.00 -1.23 0.00 0.00 66.70 64.42 1wgd h VAL 42 Cb 0.49 1.41 -0.06 0.00 -2.13 0.00 0.00 31.29 31.00 1wgd h VAL 42 CO 0.03 0.00 0.22 -0.47 -1.23 0.00 0.00 177.57 176.11 1wgd s TYR 43 N -3.18 3.52 -0.73 5.19 5.04 0.50 -4.99 117.35 122.70 1wgd s TYR 43 Ca 0.09 1.27 -0.26 0.00 -2.44 0.00 0.00 57.07 55.72 1wgd s TYR 43 Cb 0.11 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.52 1wgd s TYR 43 CO 0.56 -0.05 1.59 -1.25 -1.34 0.00 0.00 175.55 175.05 1wgd s PRO 44 N 1.36 2.95 0.00 4.97 0.04 -1.26 -3.04 135.00 140.01 1wgd s PRO 44 Ca 0.38 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1wgd s PRO 44 Cb -0.17 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1wgd s PRO 44 CO 0.17 -2.50 0.00 -0.85 0.04 0.00 0.00 177.00 173.85 1wgd n GLU 45 N 9.21 0.00 -2.89 4.56 0.28 -1.26 -4.99 120.64 125.54 1wgd n GLU 45 Ca 0.16 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.05 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 -1.74 0.00 3.44 5.12 -1.17 -5.03 116.66 117.28 1wgd n ARG 46 Ca 0.00 0.76 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1wgd n ARG 46 Cb 0.00 -4.99 0.00 0.00 -1.16 0.00 0.00 32.46 26.31 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 -2.77 0.18 -4.23 5.56 -0.04 -1.26 -5.08 135.00 127.36 1wgd n PRO 47 Ca -0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 1wgd n PRO 47 Cb 0.59 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.65 2.17 0.14 0.54 0.52 -1.26 -4.89 118.95 114.52 1wgd s ARG 48 Ca 0.00 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 1wgd s ARG 48 Cb 0.00 -2.30 -0.06 0.00 0.52 0.00 0.00 34.95 33.11 1wgd s ARG 48 CO 0.00 0.49 1.34 -1.00 0.02 0.00 0.00 175.30 176.15 1wgd h PRO 49 N 3.36 0.44 -1.76 3.54 0.13 -1.91 -2.57 132.00 133.23 1wgd h PRO 49 Ca -0.48 -0.43 -0.30 0.00 -0.87 0.00 0.00 66.00 63.91 1wgd h PRO 49 Cb 1.18 0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 1wgd h PRO 49 CO 0.54 1.08 0.27 0.39 -0.23 0.00 0.00 178.00 180.04 1wgd n GLU 50 N -3.79 1.85 0.00 0.86 -0.58 -1.26 -3.70 120.64 114.02 1wgd n GLU 50 Ca -0.06 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 1wgd n GLU 50 Cb 0.79 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 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 0.87 0.00 -4.17 1.62 8.00 -1.22 -5.06 116.55 116.59 1wgd n ASP 51 Ca 0.31 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.35 1wgd n ASP 51 Cb 0.60 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 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 -2.07 0.00 -3.60 -1.24 6.02 -0.97 -4.25 117.38 111.26 1wgd n GLN 52 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1wgd n GLN 52 Cb 0.00 -0.98 -0.09 0.00 1.02 0.00 0.00 30.24 30.19 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 -0.87 2.41 -0.33 -1.09 0.52 -0.48 -4.96 118.95 114.16 1wgd s ARG 53 Ca 0.63 -1.85 -0.18 0.00 -0.52 0.00 0.00 55.73 53.80 1wgd s ARG 53 Cb -0.91 -3.86 -0.01 0.00 0.52 0.00 0.00 34.95 30.70 1wgd s ARG 53 CO 0.53 -1.17 0.53 -0.51 0.02 0.00 0.00 175.30 174.70 1wgd s LEU 54 N 1.19 4.25 -0.32 2.53 1.02 -1.25 -1.32 118.68 124.78 1wgd s LEU 54 Ca 0.07 0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.41 1wgd s LEU 54 Cb -0.25 -2.64 0.09 0.00 0.02 0.00 0.00 46.19 43.42 1wgd s LEU 54 CO -0.02 -0.45 0.02 -0.63 0.02 0.00 0.00 176.35 175.30 1wgd s ILE 55 N 2.43 2.17 0.00 -0.59 1.09 0.29 0.58 121.20 127.17 1wgd s ILE 55 Ca 0.20 -2.15 0.00 0.00 -1.10 0.00 0.00 60.65 57.61 1wgd s ILE 55 Cb -0.15 -2.54 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 1wgd s ILE 55 CO 0.12 -0.49 0.00 0.00 -0.10 0.00 0.00 174.94 174.47 1wgd n TYR 56 N 4.32 0.00 -2.58 3.97 9.36 -1.24 -1.54 117.16 129.45 1wgd n TYR 56 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 1wgd n TYR 56 Cb 0.42 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.14 1wgd n TYR 56 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1wgd n SER 57 N -0.04 5.52 -1.63 2.98 7.64 -1.26 -4.62 113.62 122.21 1wgd n SER 57 Ca 0.00 -3.20 -0.07 0.00 1.01 0.00 0.00 58.87 56.61 1wgd n SER 57 Cb 0.00 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 61.76 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 2.38 0.29 2.62 0.23 0.00 -1.26 -4.85 105.19 104.60 1wgd n GLY 58 Ca 0.35 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.41 0.11 0.14 1.61 1.02 -1.26 -5.12 119.74 112.84 1wgd s LYS 59 Ca 0.00 -0.13 -0.34 0.00 0.02 0.00 0.00 55.97 55.52 1wgd s LYS 59 Cb 0.00 -1.56 -0.17 0.00 -0.52 0.00 0.00 37.83 35.58 1wgd s LYS 59 CO 0.00 -0.75 1.08 -0.11 -0.92 0.00 0.00 175.35 174.65 1wgd n LEU 60 N 5.28 0.91 -4.80 3.17 7.94 -1.26 -3.64 117.00 124.60 1wgd n LEU 60 Ca -0.06 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 1wgd n LEU 60 Cb 0.48 -1.13 0.10 0.00 0.53 0.00 0.00 43.42 43.40 1wgd n LEU 60 CO 0.08 -1.61 0.71 -0.76 -1.11 0.00 0.00 177.39 174.71 1wgd s LEU 61 N 0.82 2.44 0.00 -1.96 1.43 0.20 -4.93 118.68 116.67 1wgd s LEU 61 Ca 0.76 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1wgd s LEU 61 Cb -0.94 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1wgd s LEU 61 CO 0.53 -2.12 0.00 0.18 0.23 0.00 0.00 176.35 175.17 1wgd n LEU 62 N -3.52 0.00 0.11 1.79 4.77 -1.26 -4.83 117.00 114.06 1wgd n LEU 62 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 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 0.57 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.96 1wgd n ASP 63 N 0.00 -1.96 0.13 -1.43 -0.08 -1.26 -4.51 116.55 107.44 1wgd n ASP 63 Ca 0.00 0.53 0.11 0.00 -1.51 0.00 0.00 54.79 53.93 1wgd n ASP 63 Cb 0.00 2.03 0.49 0.00 2.34 0.00 0.00 41.12 45.98 1wgd n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgd n HIS 64 N -2.94 0.75 -0.40 -0.67 1.44 -1.26 -0.97 115.22 111.17 1wgd n HIS 64 Ca 0.00 0.31 -0.19 0.00 -2.01 0.00 0.00 57.72 55.83 1wgd n HIS 64 Cb 0.00 -1.00 0.19 0.00 0.12 0.00 0.00 29.99 29.30 1wgd n HIS 64 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1wgd n GLN 65 N -2.20 -2.37 -4.25 -1.40 1.13 -1.26 -4.87 117.38 102.16 1wgd n GLN 65 Ca 0.02 -0.91 -0.21 0.00 -1.94 0.00 0.00 57.00 53.95 1wgd n GLN 65 Cb 0.19 -1.55 -0.12 0.00 0.11 0.00 0.00 30.24 28.87 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 4.26 0.83 -0.77 0.00 3.38 -1.54 -2.48 115.31 118.99 1wgd h LEU 67 Ca -0.43 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.22 1wgd h LEU 67 Cb 1.18 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 1wgd h LEU 67 CO 0.40 1.08 -0.44 -0.09 0.09 0.00 0.00 178.44 179.47 1wgd h ARG 68 N 0.58 -0.12 0.72 1.13 2.43 -1.70 0.91 114.38 118.34 1wgd h ARG 68 Ca 0.07 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1wgd h ARG 68 Cb 0.79 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1wgd h ARG 68 CO 0.06 -0.08 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.66 1wgd h ASP 69 N -0.12 -0.82 0.00 -3.80 5.19 -1.87 -3.28 116.42 111.71 1wgd h ASP 69 Ca 0.23 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1wgd h ASP 69 Cb 0.55 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1wgd h ASP 69 CO -0.82 -0.54 0.00 0.18 -3.12 0.00 0.00 179.24 174.95 1wgd n LEU 70 N -4.88 0.00 -4.73 1.55 4.77 -0.73 -4.44 117.00 108.55 1wgd n LEU 70 Ca -0.12 1.00 -0.34 0.00 -0.03 0.00 0.00 56.01 56.51 1wgd n LEU 70 Cb 0.38 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1wgd n LEU 70 CO 0.29 -0.50 0.80 -0.76 -1.33 0.00 0.00 177.39 175.89 1wgd s LEU 71 N -5.91 3.36 1.12 2.23 1.43 0.31 -5.01 118.68 116.20 1wgd s LEU 71 Ca 0.00 2.33 -0.19 0.00 -1.03 0.00 0.00 54.13 55.24 1wgd s LEU 71 Cb 0.00 -4.59 0.26 0.00 0.03 0.00 0.00 46.19 41.90 1wgd s LEU 71 CO 0.00 -2.13 1.24 -2.16 0.23 0.00 0.00 176.35 173.53 1wgd s PRO 72 N -3.86 -0.57 0.00 1.29 0.04 -1.26 -4.73 135.00 125.91 1wgd s PRO 72 Ca 0.74 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1wgd s PRO 72 Cb -0.29 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1wgd s PRO 72 CO 0.44 -3.23 0.61 1.63 0.04 0.00 0.00 177.00 176.49 1wgd n LYS 73 N -4.35 0.00 -4.60 4.56 4.76 -1.26 -4.80 118.16 112.47 1wgd n LYS 73 Ca 0.16 0.49 -0.34 0.00 -2.87 0.00 0.00 58.31 55.75 1wgd n LYS 73 Cb 0.59 -1.30 -0.12 0.00 -1.84 0.00 0.00 35.03 32.37 1wgd n LYS 73 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1wgd s GLN 74 N -2.20 2.94 0.00 1.97 0.74 -1.26 -5.09 119.66 116.76 1wgd s GLN 74 Ca 0.00 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.86 1wgd s GLN 74 Cb 0.00 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1wgd s GLN 74 CO 0.00 0.57 0.00 -1.91 -0.55 0.00 0.00 175.29 173.40 1wgd n GLU 75 N 2.51 0.00 0.00 1.67 2.13 -1.26 -5.08 120.64 120.61 1wgd n GLU 75 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1wgd n GLU 75 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1wgd n GLU 75 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wgd n LYS 76 N -0.05 0.00 -4.08 5.31 4.01 -1.26 -4.84 118.16 117.24 1wgd n LYS 76 Ca 0.00 0.57 -0.08 0.00 -0.51 0.00 0.00 58.31 58.30 1wgd n LYS 76 Cb 0.00 -1.35 -0.10 0.00 -0.51 0.00 0.00 35.03 33.07 1wgd n LYS 76 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1wgd s ARG 77 N -2.39 0.58 -0.02 1.97 0.52 -1.26 -4.75 118.95 113.59 1wgd s ARG 77 Ca 0.00 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1wgd s ARG 77 Cb 0.00 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1wgd s ARG 77 CO 0.00 -0.09 0.01 -1.01 0.02 0.00 0.00 175.30 174.23 1wgd s HIS 78 N -3.47 3.12 -0.30 -0.53 3.76 -0.52 -5.01 115.29 112.33 1wgd s HIS 78 Ca 0.04 0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1wgd s HIS 78 Cb 0.05 -1.70 0.04 0.00 1.11 0.00 0.00 32.58 32.07 1wgd s HIS 78 CO -0.08 0.47 0.03 0.08 -0.85 0.00 0.00 174.74 174.40 1wgd s VAL 79 N -1.05 3.37 0.39 -0.90 1.01 -1.26 0.17 120.40 122.12 1wgd s VAL 79 Ca 0.18 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1wgd s VAL 79 Cb -0.12 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1wgd s VAL 79 CO 0.09 -0.04 0.37 -0.76 0.00 0.00 0.00 175.10 174.76 1wgd s LEU 80 N 1.35 3.50 -0.23 3.92 2.01 0.46 -4.80 118.68 124.90 1wgd s LEU 80 Ca -0.02 -0.62 -0.01 0.00 0.01 0.00 0.00 54.13 53.49 1wgd s LEU 80 Cb -0.19 -2.19 0.07 0.00 0.01 0.00 0.00 46.19 43.89 1wgd s LEU 80 CO 0.00 -0.56 0.02 -1.00 1.01 0.00 0.00 176.35 175.81 1wgd s HIS 81 N -2.40 1.64 -0.32 0.29 3.76 -0.59 0.13 115.29 117.80 1wgd s HIS 81 Ca 0.46 -1.34 -0.10 0.00 -0.15 0.00 0.00 55.06 53.93 1wgd s HIS 81 Cb -0.05 -1.36 -0.00 0.00 1.11 0.00 0.00 32.58 32.28 1wgd s HIS 81 CO 0.28 -0.72 0.17 -1.17 -0.85 0.00 0.00 174.74 172.46 1wgd s LEU 82 N 1.65 4.26 0.19 0.89 2.96 -0.86 -0.54 118.68 127.21 1wgd s LEU 82 Ca -0.01 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.41 1wgd s LEU 82 Cb -0.18 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1wgd s LEU 82 CO -0.10 -0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.96 1wgd s VAL 83 N 1.62 3.40 0.36 1.68 1.01 -0.43 -4.72 120.40 123.32 1wgd s VAL 83 Ca 0.04 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.16 1wgd s VAL 83 Cb -0.17 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 1wgd s VAL 83 CO 0.07 -0.14 1.01 0.00 0.00 0.00 0.00 175.10 176.03 1wgd n ASN 85 N 0.29 0.02 -3.66 0.00 5.15 -1.26 -4.84 115.26 110.96 1wgd n ASN 85 Ca 0.03 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.93 1wgd n ASN 85 Cb 0.49 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.66 1wgd n ASN 85 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wgd s VAL 86 N 2.51 -0.01 0.54 3.44 0.11 -1.26 -5.07 120.40 120.66 1wgd s VAL 86 Ca 0.00 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1wgd s VAL 86 Cb 0.00 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1wgd s VAL 86 CO 0.00 0.01 0.80 -0.54 -3.33 0.00 0.00 175.10 172.04 1wgd s LYS 87 N 1.46 2.75 -0.67 1.54 3.01 -1.26 -5.05 119.74 121.53 1wgd s LYS 87 Ca -0.09 -0.45 -0.09 0.00 -1.01 0.00 0.00 55.97 54.33 1wgd s LYS 87 Cb -0.06 -2.42 0.17 0.00 -1.01 0.00 0.00 37.83 34.51 1wgd s LYS 87 CO -0.16 -0.63 0.54 0.45 0.51 0.00 0.00 175.35 176.06 1wgd s SER 88 N -4.34 5.92 0.29 2.83 0.15 -1.26 -5.02 113.70 112.27 1wgd s SER 88 Ca 0.54 -2.58 -0.20 0.00 0.70 0.00 0.00 55.95 54.41 1wgd s SER 88 Cb -0.10 -2.03 0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1wgd s SER 88 CO 0.40 -0.52 0.79 -0.83 1.20 0.00 0.00 173.24 174.28 1wgd s GLY 89 N 1.71 0.03 0.84 9.45 0.00 -1.26 -5.17 107.32 112.91 1wgd s GLY 89 Ca 0.15 -0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 1wgd s GLY 89 CO -0.05 -0.02 1.11 2.56 0.00 0.00 0.00 173.10 176.71 1wgd s PRO 90 N -3.31 1.75 0.08 2.90 0.04 -1.26 -5.03 135.00 130.17 1wgd s PRO 90 Ca 0.13 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1wgd s PRO 90 Cb -0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wgd s PRO 90 CO 0.08 -1.82 0.00 0.45 0.04 0.00 0.00 177.00 175.75 1wgd n SER 91 N -3.55 0.78 -4.46 6.66 2.88 -1.26 -5.03 113.62 109.65 1wgd n SER 91 Ca 0.07 0.11 -0.35 0.00 -1.33 0.00 0.00 58.87 57.37 1wgd n SER 91 Cb 0.57 -0.23 -0.12 0.00 -0.75 0.00 0.00 64.21 63.68 1wgd n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgd s SER 92 N -5.70 4.88 0.00 -3.46 0.01 -1.26 -5.35 113.70 102.81 1wgd s SER 92 Ca 0.00 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.16 1wgd s SER 92 Cb 0.00 -1.83 0.06 0.00 0.21 0.00 0.00 66.02 64.46 1wgd s SER 92 CO 0.00 0.08 0.74 0.61 0.41 0.00 0.00 173.24 175.08