#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 -8.48 0.12 1.61 7.64 -1.26 -5.04 113.62 108.21 1wgd n SER 2 Ca 0.00 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wgd n SER 2 Cb 0.00 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.23 1wgd n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wgd n SER 3 N -4.39 -2.07 0.00 6.43 3.41 -1.26 -5.11 113.62 110.63 1wgd n SER 3 Ca -0.07 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1wgd n SER 3 Cb 0.70 2.16 0.00 0.00 -0.26 0.00 0.00 64.21 66.81 1wgd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgd n GLY 4 N -1.25 -0.24 2.09 5.00 0.00 -1.26 -4.83 105.19 104.70 1wgd n GLY 4 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1wgd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgd n SER 5 N 0.00 -1.60 -3.46 1.61 7.64 -1.26 -5.05 113.62 111.50 1wgd n SER 5 Ca 0.00 0.50 -0.28 0.00 1.01 0.00 0.00 58.87 60.10 1wgd n SER 5 Cb 0.00 1.64 -0.11 0.00 -1.01 0.00 0.00 64.21 64.73 1wgd n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgd s SER 6 N -3.19 2.44 0.00 6.43 0.01 -1.26 -5.08 113.70 113.06 1wgd s SER 6 Ca 0.00 -2.58 0.00 0.00 1.31 0.00 0.00 55.95 54.68 1wgd s SER 6 Cb 0.00 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1wgd s SER 6 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1wgd n GLY 7 N 3.51 5.13 2.94 3.44 0.00 -1.26 -4.98 105.19 113.98 1wgd n GLY 7 Ca 0.19 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 3.41 1.22 -0.43 1.61 -7.23 -1.26 -4.86 120.40 112.85 1wgd s VAL 8 Ca 0.00 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 59.46 1wgd s VAL 8 Cb 0.00 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.76 1wgd s VAL 8 CO 0.00 0.39 1.29 -0.89 -0.31 0.00 0.00 175.10 175.58 1wgd s THR 9 N 1.63 4.05 -0.10 5.32 2.01 -1.26 0.97 115.64 128.26 1wgd s THR 9 Ca 0.05 1.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.95 1wgd s THR 9 Cb -0.13 -4.37 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 1wgd s THR 9 CO -0.09 -0.84 0.48 -0.76 -0.69 0.00 0.00 174.62 172.72 1wgd s LEU 10 N 4.94 4.31 -0.53 4.42 1.43 -0.05 0.59 118.68 133.79 1wgd s LEU 10 Ca 0.55 0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 1wgd s LEU 10 Cb -0.11 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.52 1wgd s LEU 10 CO 0.31 0.04 0.49 -0.76 0.23 0.00 0.00 176.35 176.66 1wgd s LEU 11 N 0.37 6.02 -0.83 1.79 1.43 0.50 -1.61 118.68 126.35 1wgd s LEU 11 Ca 0.26 -1.67 -0.25 0.00 -1.03 0.00 0.00 54.13 51.44 1wgd s LEU 11 Cb -0.16 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1wgd s LEU 11 CO 0.11 -0.82 1.64 -0.69 0.23 0.00 0.00 176.35 176.82 1wgd s VAL 12 N 1.66 3.62 0.40 -1.59 1.01 0.11 0.18 120.40 125.79 1wgd s VAL 12 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1wgd s VAL 12 Cb -0.28 -4.49 -0.00 0.00 0.00 0.00 0.00 36.38 31.60 1wgd s VAL 12 CO 0.04 -1.42 0.59 -0.54 0.00 0.00 0.00 175.10 173.77 1wgd s LYS 13 N 6.17 3.08 -0.30 2.72 1.02 0.19 -2.35 119.74 130.28 1wgd s LYS 13 Ca 0.55 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 1wgd s LYS 13 Cb -0.06 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1wgd s LYS 13 CO 0.05 -0.14 -0.01 0.45 -0.92 0.00 0.00 175.35 174.79 1wgd s SER 14 N -4.20 4.84 -1.12 2.83 0.15 -1.26 -3.16 113.70 111.78 1wgd s SER 14 Ca 0.47 -1.34 -0.19 0.00 0.70 0.00 0.00 55.95 55.59 1wgd s SER 14 Cb -0.10 -1.69 -0.06 0.00 -1.71 0.00 0.00 66.02 62.46 1wgd s SER 14 CO 0.35 -0.27 2.03 -0.81 1.20 0.00 0.00 173.24 175.75 1wgd n PRO 15 N 4.59 2.17 0.00 5.44 -0.04 -1.26 -3.38 135.00 142.52 1wgd n PRO 15 Ca -0.12 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1wgd n PRO 15 Cb 0.43 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 7.55 0.00 -2.19 3.54 2.85 -1.26 -5.02 115.26 120.73 1wgd n ASN 16 Ca 0.50 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.95 1wgd n ASN 16 Cb 0.41 0.11 -0.02 0.00 1.24 0.00 0.00 39.78 41.52 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wgd n GLN 17 N -2.27 0.06 -3.07 1.20 6.02 -1.23 -5.06 117.38 113.03 1wgd n GLN 17 Ca 0.00 -0.35 -0.11 0.00 -0.01 0.00 0.00 57.00 56.53 1wgd n GLN 17 Cb 0.00 0.01 0.01 0.00 1.02 0.00 0.00 30.24 31.28 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 -0.32 -0.69 -3.81 -1.09 1.74 -1.22 -4.95 116.66 106.32 1wgd n ARG 18 Ca -0.18 0.88 -0.30 0.00 -0.77 0.00 0.00 57.85 57.48 1wgd n ARG 18 Cb 0.58 -1.17 -0.15 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.04 1.94 0.48 -1.55 3.76 -1.26 -5.06 115.29 112.55 1wgd s HIS 19 Ca 0.11 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.33 1wgd s HIS 19 Cb -0.01 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1wgd s HIS 19 CO 0.24 -0.81 0.00 0.54 -0.85 0.00 0.00 174.74 173.87 1wgd n ARG 20 N 4.79 -3.04 -3.70 1.40 3.00 -1.26 -4.65 116.66 113.19 1wgd n ARG 20 Ca -0.05 2.28 -0.11 0.00 -0.01 0.00 0.00 57.85 59.96 1wgd n ARG 20 Cb 0.44 -3.66 -0.06 0.00 0.00 0.00 0.00 32.46 29.18 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 -7.08 -0.16 -0.15 0.55 1.47 -1.26 -4.50 116.67 105.55 1wgd s ASP 21 Ca 0.00 -0.31 -0.04 0.00 1.18 0.00 0.00 52.55 53.38 1wgd s ASP 21 Cb 0.00 0.42 0.05 0.00 -0.34 0.00 0.00 42.92 43.05 1wgd s ASP 21 CO 0.00 -0.76 0.07 -0.22 0.68 0.00 0.00 175.17 174.94 1wgd s LEU 22 N -2.57 0.49 -0.36 2.11 2.96 -0.99 -4.97 118.68 115.34 1wgd s LEU 22 Ca 0.01 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.27 1wgd s LEU 22 Cb 0.02 -0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.39 1wgd s LEU 22 CO -0.09 -0.32 0.29 -1.61 -1.32 0.00 0.00 176.35 173.30 1wgd s GLU 23 N 2.08 3.36 0.07 1.98 2.02 -1.26 0.07 118.70 127.02 1wgd s GLU 23 Ca 0.02 -0.70 0.05 0.00 0.02 0.00 0.00 54.97 54.36 1wgd s GLU 23 Cb -0.15 -3.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 1wgd s GLU 23 CO -0.08 -0.55 -0.14 -0.48 0.02 0.00 0.00 175.26 174.03 1wgd s LEU 24 N 1.79 2.28 1.04 1.80 2.34 -0.63 -4.93 118.68 122.36 1wgd s LEU 24 Ca 0.07 -0.62 -0.18 0.00 0.06 0.00 0.00 54.13 53.46 1wgd s LEU 24 Cb -0.18 -0.51 0.00 0.00 -0.56 0.00 0.00 46.19 44.95 1wgd s LEU 24 CO 0.11 -0.08 -0.25 -0.24 -1.06 0.00 0.00 176.35 174.83 1wgd n SER 25 N 1.28 -2.85 0.05 1.48 2.88 -1.26 -0.87 113.62 114.33 1wgd n SER 25 Ca -0.21 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wgd n SER 25 Cb 0.54 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1wgd n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 26 N 2.31 -0.06 1.72 0.46 0.00 0.27 -4.47 105.19 105.42 1wgd n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.24 -6.50 0.14 1.61 -0.08 -1.26 -4.20 116.55 103.02 1wgd n ASP 27 Ca 0.00 1.05 0.10 0.00 -1.51 0.00 0.00 54.79 54.43 1wgd n ASP 27 Cb 0.00 -3.53 0.53 0.00 2.34 0.00 0.00 41.12 40.46 1wgd n ASP 27 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wgd n ARG 28 N 1.12 0.13 0.08 -0.67 1.74 -1.26 -0.36 116.66 117.44 1wgd n ARG 28 Ca 0.00 0.60 0.02 0.00 -0.77 0.00 0.00 57.85 57.70 1wgd n ARG 28 Cb 0.00 -1.91 -0.04 0.00 -1.02 0.00 0.00 32.46 29.49 1wgd n ARG 28 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wgd h GLY 29 N 0.22 0.00 -0.59 -0.13 0.00 -1.95 -3.31 103.07 97.30 1wgd h GLY 29 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1wgd h GLY 29 CO 0.00 0.00 -0.07 0.79 0.00 0.00 0.00 176.54 177.26 1wgd n TRP 30 N -3.00 -2.34 -3.76 5.60 7.02 0.51 -4.93 117.44 116.53 1wgd n TRP 30 Ca -0.05 -0.20 -0.14 0.00 -1.02 0.00 0.00 57.50 56.09 1wgd n TRP 30 Cb 0.78 -0.80 -0.15 0.00 -2.42 0.00 0.00 31.31 28.73 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 -2.12 -0.05 0.34 -0.99 0.01 -1.26 -4.29 113.70 105.34 1wgd s SER 31 Ca 0.28 0.21 0.15 0.00 1.31 0.00 0.00 55.95 57.89 1wgd s SER 31 Cb -0.05 0.11 1.13 0.00 0.21 0.00 0.00 66.02 67.42 1wgd s SER 31 CO 0.23 -0.13 1.52 0.52 0.41 0.00 0.00 173.24 175.78 1wgd n VAL 32 N 4.12 -0.40 -0.08 3.43 0.31 -1.20 0.20 118.33 124.71 1wgd n VAL 32 Ca -0.26 2.00 -0.12 0.00 -0.01 0.00 0.00 64.34 65.95 1wgd n VAL 32 Cb 0.52 -3.15 -0.05 0.00 -0.91 0.00 0.00 33.84 30.24 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 0.52 0.63 2.92 0.00 -1.81 -2.78 103.07 102.55 1wgd h GLY 33 Ca 0.75 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1wgd h GLY 33 CO -0.79 0.44 -0.12 0.84 0.00 0.00 0.00 176.54 176.92 1wgd h HIS 34 N 0.18 -0.30 -0.81 5.60 6.17 0.18 -3.17 115.15 123.00 1wgd h HIS 34 Ca 0.05 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.19 1wgd h HIS 34 Cb 0.65 0.10 -0.10 0.00 2.52 0.00 0.00 27.41 30.58 1wgd h HIS 34 CO 0.07 0.05 -0.48 -0.11 0.71 0.00 0.00 177.93 178.16 1wgd n LEU 35 N -5.07 -0.86 -0.34 0.26 7.94 0.53 -0.20 117.00 119.26 1wgd n LEU 35 Ca -0.09 1.61 -0.09 0.00 -1.11 0.00 0.00 56.01 56.33 1wgd n LEU 35 Cb 0.25 -0.27 -0.08 0.00 0.53 0.00 0.00 43.42 43.85 1wgd n LEU 35 CO 0.30 -1.26 0.43 0.29 -1.11 0.00 0.00 177.39 176.04 1wgd n LYS 36 N -4.84 -0.36 -0.14 1.96 5.02 -1.05 0.13 118.16 118.89 1wgd n LYS 36 Ca 0.02 1.31 -0.04 0.00 -2.02 0.00 0.00 58.31 57.58 1wgd n LYS 36 Cb 0.21 -1.92 0.03 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.35 0.35 -0.43 7.82 0.00 -0.57 0.58 119.26 127.34 1wgd h ALA 37 Ca 0.13 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.29 1wgd h ALA 37 Cb 0.34 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1wgd h ALA 37 CO -0.77 -0.43 0.30 1.25 0.00 0.00 0.00 179.25 179.60 1wgd h HIS 38 N 0.04 0.20 0.34 0.00 -0.00 0.43 -2.12 115.15 114.04 1wgd h HIS 38 Ca 0.22 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1wgd h HIS 38 Cb 0.34 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1wgd h HIS 38 CO -0.36 0.10 -0.16 -0.07 -0.00 0.00 0.00 177.93 177.44 1wgd h LEU 39 N 0.19 -0.39 -1.55 0.26 3.38 0.62 -3.04 115.31 114.78 1wgd h LEU 39 Ca 0.20 -0.15 0.49 0.00 0.09 0.00 0.00 57.88 58.51 1wgd h LEU 39 Cb 0.55 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1wgd h LEU 39 CO -0.03 0.06 1.07 -0.24 0.09 0.00 0.00 178.44 179.38 1wgd n SER 40 N -5.10 0.10 0.00 -0.43 2.88 0.57 0.23 113.62 111.88 1wgd n SER 40 Ca -0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1wgd n SER 40 Cb 0.26 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1wgd n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wgd n ARG 41 N -4.17 0.00 0.17 -1.46 3.00 -1.07 -2.83 116.66 110.29 1wgd n ARG 41 Ca 0.39 0.48 0.18 0.00 -0.01 0.00 0.00 57.85 58.89 1wgd n ARG 41 Cb 1.66 -1.34 0.74 0.00 0.00 0.00 0.00 32.46 33.51 1wgd n ARG 41 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1wgd h VAL 42 N 0.00 0.23 -3.27 1.55 -1.51 -0.73 -3.39 116.25 109.12 1wgd h VAL 42 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.90 1wgd h VAL 42 Cb 0.00 0.61 -0.06 0.00 -2.13 0.00 0.00 31.29 29.71 1wgd h VAL 42 CO 0.00 0.00 0.47 -0.47 -1.23 0.00 0.00 177.57 176.34 1wgd s TYR 43 N -4.42 3.45 -0.73 5.19 5.04 0.14 -4.98 117.35 121.03 1wgd s TYR 43 Ca -0.04 1.38 -0.26 0.00 -2.44 0.00 0.00 57.07 55.71 1wgd s TYR 43 Cb 0.13 -3.08 0.00 0.00 0.35 0.00 0.00 41.96 39.36 1wgd s TYR 43 CO 0.44 -0.24 1.59 -1.25 -1.34 0.00 0.00 175.55 174.74 1wgd s PRO 44 N 2.14 2.95 0.00 4.97 0.04 -1.26 -3.03 135.00 140.81 1wgd s PRO 44 Ca 0.42 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.46 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 0.14 -2.50 0.00 -0.85 0.04 0.00 0.00 177.00 173.83 1wgd n GLU 45 N 9.21 0.00 -2.99 4.56 0.28 -1.26 -4.99 120.64 125.44 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 -1.84 0.00 3.44 5.12 -1.17 -5.03 116.66 117.18 1wgd n ARG 46 Ca 0.00 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 1wgd n ARG 46 Cb 0.00 -5.25 0.00 0.00 -1.16 0.00 0.00 32.46 26.05 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 -2.82 0.61 -4.26 5.56 -0.04 -1.26 -5.06 135.00 127.74 1wgd n PRO 47 Ca -0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.12 1wgd n PRO 47 Cb 0.59 0.00 -0.10 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 -0.78 2.08 0.08 0.54 1.81 -1.26 -4.88 118.95 116.54 1wgd s ARG 48 Ca 0.00 -1.14 -0.14 0.00 -1.72 0.00 0.00 55.73 52.73 1wgd s ARG 48 Cb 0.00 -2.23 -0.21 0.00 -0.45 0.00 0.00 34.95 32.06 1wgd s ARG 48 CO 0.00 0.47 1.22 -1.00 -0.68 0.00 0.00 175.30 175.32 1wgd h PRO 49 N 3.30 0.72 0.00 3.54 0.13 -1.91 -0.55 132.00 137.24 1wgd h PRO 49 Ca -0.48 -0.70 -0.01 0.00 -0.87 0.00 0.00 66.00 63.94 1wgd h PRO 49 Cb 1.18 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1wgd h PRO 49 CO 0.52 1.29 -0.03 1.49 -0.23 0.00 0.00 178.00 181.04 1wgd h GLU 50 N 0.42 0.00 0.02 0.86 4.22 -1.96 -2.86 114.58 115.27 1wgd h GLU 50 Ca -0.10 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.12 1wgd h GLU 50 Cb 1.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1wgd h GLU 50 CO 0.18 0.03 -1.22 0.22 -2.18 0.00 0.00 179.01 176.05 1wgd h ASP 51 N 0.00 0.07 -1.33 1.04 1.82 -1.94 -3.47 116.42 112.61 1wgd h ASP 51 Ca -0.00 -0.62 -0.78 0.00 -0.39 0.00 0.00 57.03 55.24 1wgd h ASP 51 Cb 0.30 -0.02 0.03 0.00 0.68 0.00 0.00 39.33 40.31 1wgd h ASP 51 CO 0.00 1.49 0.62 0.00 -1.61 0.00 0.00 179.24 179.74 1wgd n GLN 52 N -4.33 0.64 -3.76 0.28 6.02 -0.22 -3.81 117.38 112.19 1wgd n GLN 52 Ca -0.29 0.23 -0.38 0.00 -0.01 0.00 0.00 57.00 56.55 1wgd n GLN 52 Cb 0.71 -1.83 -0.12 0.00 1.02 0.00 0.00 30.24 30.02 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 2.24 2.68 -0.32 -1.09 0.52 0.21 -4.93 118.95 118.25 1wgd s ARG 53 Ca 0.96 -1.13 -0.19 0.00 -0.52 0.00 0.00 55.73 54.85 1wgd s ARG 53 Cb -1.20 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 30.83 1wgd s ARG 53 CO 0.65 -0.63 0.55 -0.51 0.02 0.00 0.00 175.30 175.38 1wgd s LEU 54 N 1.41 4.23 -0.20 2.53 1.02 -1.26 0.15 118.68 126.57 1wgd s LEU 54 Ca -0.01 0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.34 1wgd s LEU 54 Cb -0.19 -2.67 0.03 0.00 0.02 0.00 0.00 46.19 43.39 1wgd s LEU 54 CO 0.03 -0.46 -0.15 -0.63 0.02 0.00 0.00 176.35 175.16 1wgd s ILE 55 N 2.46 1.94 -0.20 -0.59 1.09 0.11 0.47 121.20 126.48 1wgd s ILE 55 Ca 0.21 -1.07 -0.04 0.00 -1.10 0.00 0.00 60.65 58.65 1wgd s ILE 55 Cb -0.15 -1.88 -0.02 0.00 -1.06 0.00 0.00 42.46 39.35 1wgd s ILE 55 CO 0.12 0.33 -0.02 -0.47 -0.10 0.00 0.00 174.94 174.80 1wgd s TYR 56 N 1.29 3.00 -1.64 3.97 6.14 0.41 -0.28 117.35 130.24 1wgd s TYR 56 Ca 0.01 -0.60 0.00 0.00 0.64 0.00 0.00 57.07 57.12 1wgd s TYR 56 Cb -0.15 -2.07 0.00 0.00 0.42 0.00 0.00 41.96 40.16 1wgd s TYR 56 CO -0.10 -0.32 0.00 0.43 0.64 0.00 0.00 175.55 176.20 1wgd n SER 57 N 4.31 -4.20 0.00 4.32 7.64 -1.26 0.16 113.62 124.59 1wgd n SER 57 Ca -0.17 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wgd n SER 57 Cb 0.52 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.93 1wgd n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 58 N -0.27 0.86 3.42 0.23 0.00 -1.26 -5.06 105.19 103.11 1wgd n GLY 58 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.72 3.55 0.22 1.61 1.02 0.41 -5.07 119.74 120.77 1wgd s LYS 59 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1wgd s LYS 59 Cb 0.00 -2.98 -0.09 0.00 -0.52 0.00 0.00 37.83 34.25 1wgd s LYS 59 CO 0.00 0.04 1.11 -1.17 -0.92 0.00 0.00 175.35 174.40 1wgd s LEU 60 N 0.90 4.52 0.29 3.17 1.98 -1.26 0.16 118.68 128.43 1wgd s LEU 60 Ca -0.00 2.18 -0.05 0.00 -2.89 0.00 0.00 54.13 53.37 1wgd s LEU 60 Cb -0.15 -3.61 -0.05 0.00 0.66 0.00 0.00 46.19 43.04 1wgd s LEU 60 CO 0.01 -0.20 0.56 -0.76 -1.89 0.00 0.00 176.35 174.07 1wgd s LEU 61 N -0.84 4.06 0.14 -0.68 1.43 0.18 -4.91 118.68 118.07 1wgd s LEU 61 Ca 0.47 0.73 0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1wgd s LEU 61 Cb -0.31 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1wgd s LEU 61 CO 0.38 -0.19 -0.24 -0.76 0.23 0.00 0.00 176.35 175.77 1wgd s LEU 62 N -3.52 2.46 0.56 1.79 1.43 -1.26 -4.74 118.68 115.41 1wgd s LEU 62 Ca 0.44 -0.73 0.30 0.00 -1.03 0.00 0.00 54.13 53.11 1wgd s LEU 62 Cb -0.11 -1.30 1.70 0.00 0.03 0.00 0.00 46.19 46.51 1wgd s LEU 62 CO 0.30 0.16 2.17 -2.24 0.23 0.00 0.00 176.35 176.97 1wgd h ASP 63 N 3.65 0.00 -0.78 2.29 2.03 -1.97 -2.07 116.42 119.57 1wgd h ASP 63 Ca -0.49 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.37 1wgd h ASP 63 Cb 1.18 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.51 1wgd h ASP 63 CO 0.43 0.06 0.48 0.00 -1.03 0.00 0.00 179.24 179.17 1wgd n HIS 64 N -3.65 1.78 -3.88 4.15 1.44 -1.26 -4.29 115.22 109.50 1wgd n HIS 64 Ca -0.02 -2.08 -0.10 0.00 -2.01 0.00 0.00 57.72 53.50 1wgd n HIS 64 Cb 0.16 -1.16 -0.09 0.00 0.12 0.00 0.00 29.99 29.02 1wgd n HIS 64 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1wgd s GLN 65 N -2.06 0.62 0.15 -1.40 -0.21 -0.78 -5.12 119.66 110.86 1wgd s GLN 65 Ca 0.45 -0.65 0.06 0.00 0.02 0.00 0.00 55.36 55.24 1wgd s GLN 65 Cb 0.33 0.25 -0.04 0.00 1.00 0.00 0.00 33.01 34.55 1wgd s GLN 65 CO -0.09 -0.17 0.01 0.00 -2.12 0.00 0.00 175.29 172.92 1wgd n LEU 67 N 0.09 0.03 -0.04 0.00 4.77 -1.25 -1.53 117.00 119.07 1wgd n LEU 67 Ca -0.10 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.33 1wgd n LEU 67 Cb 0.54 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1wgd n LEU 67 CO 0.39 -0.35 0.17 -0.09 -1.33 0.00 0.00 177.39 176.18 1wgd h ARG 68 N 0.00 -0.04 -0.54 3.23 2.43 -1.85 -2.52 114.38 115.09 1wgd h ARG 68 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1wgd h ARG 68 Cb 0.17 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1wgd h ARG 68 CO 0.00 0.31 0.20 0.22 -1.51 0.00 0.00 179.97 179.19 1wgd h ASP 69 N -0.99 0.75 0.00 -3.80 3.58 -1.86 -3.33 116.42 110.77 1wgd h ASP 69 Ca -0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1wgd h ASP 69 Cb 0.38 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1wgd h ASP 69 CO 0.01 0.73 0.00 0.18 -2.88 0.00 0.00 179.24 177.28 1wgd n LEU 70 N -4.50 0.00 -4.52 2.28 4.77 -0.58 -4.72 117.00 109.73 1wgd n LEU 70 Ca 0.02 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.96 1wgd n LEU 70 Cb 0.17 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1wgd n LEU 70 CO 0.39 0.00 0.26 0.18 -1.33 0.00 0.00 177.39 176.88 1wgd n LEU 71 N -0.37 1.26 0.00 2.23 4.77 -0.95 -4.97 117.00 118.97 1wgd n LEU 71 Ca 0.00 0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 56.80 1wgd n LEU 71 Cb 0.00 -1.22 0.06 0.00 -2.33 0.00 0.00 43.42 39.93 1wgd n LEU 71 CO 0.00 -2.44 0.19 -0.81 -1.33 0.00 0.00 177.39 173.00 1wgd n PRO 72 N 0.16 -0.94 -0.05 3.23 -0.04 -1.26 -4.72 135.00 131.38 1wgd n PRO 72 Ca 0.11 -0.49 -0.02 0.00 -0.04 0.00 0.00 63.50 63.06 1wgd n PRO 72 Cb 0.42 -0.38 -0.01 0.00 -0.04 0.00 0.00 33.50 33.49 1wgd n PRO 72 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wgd h LYS 73 N 0.00 0.00 -7.20 0.54 1.63 -1.93 -3.48 116.57 106.13 1wgd h LYS 73 Ca -0.11 0.00 -0.43 0.00 -0.85 0.00 0.00 60.65 59.26 1wgd h LYS 73 Cb 0.31 0.00 0.20 0.00 -0.60 0.00 0.00 32.23 32.14 1wgd h LYS 73 CO 0.07 0.00 0.04 1.14 -3.45 0.00 0.00 179.45 177.25 1wgd s GLN 74 N -1.79 -0.98 0.13 1.90 -2.07 -1.26 -4.85 119.66 110.74 1wgd s GLN 74 Ca -0.08 0.58 0.00 0.00 -1.82 0.00 0.00 55.36 54.04 1wgd s GLN 74 Cb 0.01 -1.57 0.00 0.00 -1.09 0.00 0.00 33.01 30.36 1wgd s GLN 74 CO 0.11 -3.70 0.00 -1.91 -1.32 0.00 0.00 175.29 168.48 1wgd n GLU 75 N -4.86 -1.57 0.00 9.60 4.07 -1.26 -4.99 120.64 121.63 1wgd n GLU 75 Ca 0.05 1.14 0.00 0.00 -0.06 0.00 0.00 57.16 58.29 1wgd n GLU 75 Cb 0.56 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.68 1wgd n GLU 75 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1wgd n LYS 76 N -0.34 0.00 -1.41 5.31 0.00 -1.26 -4.94 118.16 115.52 1wgd n LYS 76 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 58.31 58.31 1wgd n LYS 76 Cb 0.00 -0.81 0.21 0.00 0.00 0.00 0.00 35.03 34.44 1wgd n LYS 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wgd s ARG 77 N -0.63 -0.42 -0.01 1.64 3.00 -1.26 -4.40 118.95 116.87 1wgd s ARG 77 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 55.73 55.38 1wgd s ARG 77 Cb 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 34.95 33.28 1wgd s ARG 77 CO 0.00 -3.16 0.39 -1.01 0.00 0.00 0.00 175.30 171.52 1wgd s HIS 78 N -3.34 -0.28 -0.29 -0.53 3.76 0.20 -4.88 115.29 109.94 1wgd s HIS 78 Ca 0.72 0.41 -0.05 0.00 -0.15 0.00 0.00 55.06 55.99 1wgd s HIS 78 Cb -0.08 0.17 0.02 0.00 1.11 0.00 0.00 32.58 33.80 1wgd s HIS 78 CO 0.55 -0.46 0.04 0.08 -0.85 0.00 0.00 174.74 174.10 1wgd s VAL 79 N -1.48 3.63 0.45 -0.90 1.01 -1.26 0.19 120.40 122.03 1wgd s VAL 79 Ca -0.12 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1wgd s VAL 79 Cb -0.04 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1wgd s VAL 79 CO 0.04 0.08 0.35 -0.76 0.00 0.00 0.00 175.10 174.81 1wgd s LEU 80 N 1.44 3.16 -0.32 3.92 2.01 0.48 -4.37 118.68 124.99 1wgd s LEU 80 Ca 0.01 -0.94 -0.02 0.00 0.01 0.00 0.00 54.13 53.19 1wgd s LEU 80 Cb -0.17 -1.70 0.11 0.00 0.01 0.00 0.00 46.19 44.43 1wgd s LEU 80 CO 0.01 -0.75 0.14 -1.00 1.01 0.00 0.00 176.35 175.75 1wgd s HIS 81 N -2.58 1.10 -0.62 0.29 3.76 0.62 0.58 115.29 118.44 1wgd s HIS 81 Ca 0.43 -1.47 -0.22 0.00 -0.15 0.00 0.00 55.06 53.65 1wgd s HIS 81 Cb -0.01 -1.34 0.06 0.00 1.11 0.00 0.00 32.58 32.41 1wgd s HIS 81 CO 0.25 -0.85 0.92 -1.17 -0.85 0.00 0.00 174.74 173.05 1wgd s LEU 82 N 1.62 4.41 -0.01 0.89 2.96 -1.19 0.09 118.68 127.45 1wgd s LEU 82 Ca 0.11 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 53.03 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 -0.24 -1.34 0.37 -0.69 -1.32 0.00 0.00 176.35 173.13 1wgd s VAL 83 N 3.87 5.10 -0.12 1.68 1.01 0.39 -4.83 120.40 127.50 1wgd s VAL 83 Ca 0.23 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 1wgd s VAL 83 Cb -0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1wgd s VAL 83 CO 0.12 0.56 0.41 0.00 0.00 0.00 0.00 175.10 176.20 1wgd n ASN 85 N 3.40 0.00 -3.69 0.00 5.15 -1.25 -4.97 115.26 113.90 1wgd n ASN 85 Ca -0.09 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.78 1wgd n ASN 85 Cb 0.52 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.66 1wgd n ASN 85 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1wgd s VAL 86 N 2.07 -0.09 0.43 3.44 1.01 -1.26 -5.05 120.40 120.96 1wgd s VAL 86 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 1wgd s VAL 86 Cb 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 36.38 35.86 1wgd s VAL 86 CO 0.00 0.04 0.59 0.29 0.00 0.00 0.00 175.10 176.02 1wgd n LYS 87 N 4.39 -0.47 -4.71 2.72 5.02 -1.26 -5.11 118.16 118.74 1wgd n LYS 87 Ca -0.22 -0.99 -0.31 0.00 -2.02 0.00 0.00 58.31 54.77 1wgd n LYS 87 Cb 0.55 -0.58 -0.08 0.00 -0.02 0.00 0.00 35.03 34.89 1wgd n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wgd s SER 88 N -3.18 3.91 -0.07 4.39 0.15 -1.26 -5.07 113.70 112.56 1wgd s SER 88 Ca 0.34 -1.63 -0.40 0.00 0.70 0.00 0.00 55.95 54.96 1wgd s SER 88 Cb -0.01 0.42 -0.19 0.00 -1.71 0.00 0.00 66.02 64.53 1wgd s SER 88 CO 0.24 -0.82 1.26 0.61 1.20 0.00 0.00 173.24 175.72 1wgd n GLY 89 N -1.18 0.03 2.02 9.45 0.00 -1.26 -4.93 105.19 109.33 1wgd n GLY 89 Ca -0.16 0.80 -0.16 0.00 0.00 0.00 0.00 46.02 46.49 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 2.36 -1.44 0.15 1.61 -0.04 -1.26 -5.01 135.00 131.37 1wgd n PRO 90 Ca 0.22 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1wgd n PRO 90 Cb 0.09 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1wgd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgd n SER 91 N -3.75 -2.63 -4.97 3.54 2.88 -1.26 -5.15 113.62 102.29 1wgd n SER 91 Ca 0.09 0.76 -0.18 0.00 -1.33 0.00 0.00 58.87 58.20 1wgd n SER 91 Cb 0.32 2.62 -0.00 0.00 -0.75 0.00 0.00 64.21 66.40 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 -2.00 5.48 0.00 -3.46 0.01 -1.26 -5.35 113.70 107.12 1wgd s SER 92 Ca 0.00 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1wgd s SER 92 Cb 0.00 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.57 1wgd s SER 92 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55