#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 -0.63 0.14 1.61 0.01 -1.26 -5.17 113.70 108.40 1wgd s SER 2 Ca 0.00 1.15 -0.02 0.00 1.31 0.00 0.00 55.95 58.38 1wgd s SER 2 Cb 0.00 1.15 -0.05 0.00 0.21 0.00 0.00 66.02 67.33 1wgd s SER 2 CO 0.00 -0.27 0.33 -0.44 0.41 0.00 0.00 173.24 173.27 1wgd s SER 3 N 0.09 6.43 0.00 2.44 0.01 -1.26 -4.92 113.70 116.49 1wgd s SER 3 Ca -0.02 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1wgd s SER 3 Cb -0.04 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1wgd s SER 3 CO 0.02 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1wgd n GLY 4 N -0.05 -2.11 3.79 3.44 0.00 -1.26 -5.14 105.19 103.87 1wgd n GLY 4 Ca -0.04 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.28 1wgd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgd s SER 5 N -0.54 7.24 -1.20 1.61 0.01 -1.26 -4.98 113.70 114.58 1wgd s SER 5 Ca 0.00 1.69 -0.12 0.00 1.31 0.00 0.00 55.95 58.83 1wgd s SER 5 Cb 0.00 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.90 1wgd s SER 5 CO 0.00 -0.03 1.40 -1.20 0.41 0.00 0.00 173.24 173.82 1wgd n SER 6 N 0.62 5.30 -2.91 2.44 7.64 -1.26 -4.98 113.62 120.47 1wgd n SER 6 Ca 0.00 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1wgd n SER 6 Cb 0.50 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 3.65 0.21 3.50 0.23 0.00 -1.26 -4.93 105.19 106.60 1wgd n GLY 7 Ca 0.34 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 0.07 1.08 -0.08 1.61 -7.23 -1.25 -4.91 120.40 109.69 1wgd s VAL 8 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1wgd s VAL 8 Cb 0.00 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1wgd s VAL 8 CO 0.00 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.77 1wgd s THR 9 N -3.22 3.17 -0.23 5.32 2.01 -1.26 0.19 115.64 121.62 1wgd s THR 9 Ca 0.31 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1wgd s THR 9 Cb 0.07 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.35 1wgd s THR 9 CO 0.14 0.57 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.74 1wgd s LEU 10 N -0.43 2.93 -0.81 4.42 1.43 0.56 -1.81 118.68 124.97 1wgd s LEU 10 Ca 0.05 -1.11 -0.23 0.00 -1.03 0.00 0.00 54.13 51.82 1wgd s LEU 10 Cb -0.12 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.66 1wgd s LEU 10 CO 0.02 -0.12 1.17 -0.22 0.23 0.00 0.00 176.35 177.43 1wgd s LEU 11 N 1.18 4.07 -0.56 1.79 2.96 0.37 -2.16 118.68 126.33 1wgd s LEU 11 Ca -0.04 -1.18 -0.27 0.00 -0.22 0.00 0.00 54.13 52.42 1wgd s LEU 11 Cb -0.17 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1wgd s LEU 11 CO -0.08 -1.47 1.86 -0.69 -1.32 0.00 0.00 176.35 174.65 1wgd s VAL 12 N 4.33 3.37 0.53 1.68 1.01 0.70 -0.38 120.40 131.66 1wgd s VAL 12 Ca 0.32 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1wgd s VAL 12 Cb -0.09 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1wgd s VAL 12 CO 0.03 -0.80 0.80 -0.54 0.00 0.00 0.00 175.10 174.59 1wgd s LYS 13 N 6.84 2.91 -0.45 2.72 1.02 0.38 -1.43 119.74 131.72 1wgd s LYS 13 Ca 0.70 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 56.42 1wgd s LYS 13 Cb -0.14 -2.41 0.13 0.00 -0.52 0.00 0.00 37.83 34.90 1wgd s LYS 13 CO 0.23 -0.55 0.24 0.45 -0.92 0.00 0.00 175.35 174.80 1wgd s SER 14 N -4.29 3.86 -1.19 2.83 0.15 -1.26 -2.62 113.70 111.18 1wgd s SER 14 Ca 0.52 -2.69 -0.10 0.00 0.70 0.00 0.00 55.95 54.38 1wgd s SER 14 Cb -0.10 -1.20 -0.07 0.00 -1.71 0.00 0.00 66.02 62.94 1wgd s SER 14 CO 0.41 -0.26 2.38 -0.81 1.20 0.00 0.00 173.24 176.16 1wgd n PRO 15 N 3.48 2.63 0.00 5.44 -0.04 -1.26 -4.14 135.00 141.11 1wgd n PRO 15 Ca 0.07 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1wgd n PRO 15 Cb 0.34 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1wgd n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wgd n ASN 16 N 4.59 0.00 0.10 3.54 4.13 -1.26 -5.08 115.26 121.29 1wgd n ASN 16 Ca 0.57 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.83 1wgd n ASN 16 Cb 0.22 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1wgd n ASN 16 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1wgd n GLN 17 N -1.20 0.00 -2.66 3.52 7.27 -1.26 -5.04 117.38 118.01 1wgd n GLN 17 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1wgd n GLN 17 Cb 0.00 -0.19 0.05 0.00 2.41 0.00 0.00 30.24 32.51 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 -3.44 0.23 -2.98 3.69 1.74 -1.26 -5.14 116.66 109.50 1wgd n ARG 18 Ca 0.00 -0.79 -0.40 0.00 -0.77 0.00 0.00 57.85 55.89 1wgd n ARG 18 Cb 0.01 -0.11 -0.04 0.00 -1.02 0.00 0.00 32.46 31.30 1wgd n ARG 18 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wgd s HIS 19 N 0.05 3.52 0.98 -1.55 2.46 -1.26 -5.01 115.29 114.47 1wgd s HIS 19 Ca 0.12 1.26 -0.16 0.00 0.47 0.00 0.00 55.06 56.75 1wgd s HIS 19 Cb 0.19 -2.89 -0.12 0.00 -0.13 0.00 0.00 32.58 29.63 1wgd s HIS 19 CO -0.10 -0.04 -0.58 0.54 -2.47 0.00 0.00 174.74 172.09 1wgd n ARG 20 N 4.34 -0.05 -3.59 2.88 5.12 -1.26 -4.20 116.66 119.89 1wgd n ARG 20 Ca 0.01 -0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 1wgd n ARG 20 Cb 0.50 -1.15 -0.03 0.00 -1.16 0.00 0.00 32.46 30.62 1wgd n ARG 20 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1wgd s ASP 21 N -1.18 6.39 -0.24 0.55 1.47 -1.26 -4.60 116.67 117.81 1wgd s ASP 21 Ca 0.43 0.47 -0.00 0.00 1.18 0.00 0.00 52.55 54.63 1wgd s ASP 21 Cb -0.19 -2.04 0.07 0.00 -0.34 0.00 0.00 42.92 40.42 1wgd s ASP 21 CO 0.80 -0.10 0.00 -0.22 0.68 0.00 0.00 175.17 176.33 1wgd s LEU 22 N -3.47 2.24 -0.21 2.11 2.96 -0.52 -4.95 118.68 116.84 1wgd s LEU 22 Ca 0.40 -1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 52.93 1wgd s LEU 22 Cb -0.11 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 1wgd s LEU 22 CO 0.30 -0.29 0.46 -0.70 -1.32 0.00 0.00 176.35 174.80 1wgd s GLU 23 N 1.54 4.15 0.33 1.98 -6.30 -1.26 -0.21 118.70 118.93 1wgd s GLU 23 Ca -0.01 0.29 0.06 0.00 -2.50 0.00 0.00 54.97 52.81 1wgd s GLU 23 Cb -0.18 -3.57 -0.03 0.00 0.00 0.00 0.00 34.13 30.35 1wgd s GLU 23 CO -0.10 -0.15 0.23 -0.48 0.02 0.00 0.00 175.26 174.79 1wgd s LEU 24 N 1.64 1.74 0.55 2.70 2.34 -0.92 -4.95 118.68 121.78 1wgd s LEU 24 Ca 0.21 -1.70 -0.16 0.00 0.06 0.00 0.00 54.13 52.54 1wgd s LEU 24 Cb -0.15 0.39 -0.06 0.00 -0.56 0.00 0.00 46.19 45.81 1wgd s LEU 24 CO 0.09 -1.01 1.02 -0.55 -1.06 0.00 0.00 176.35 174.84 1wgd s SER 25 N -3.40 6.26 -0.32 1.48 0.15 -1.26 -0.33 113.70 116.28 1wgd s SER 25 Ca 0.37 1.67 0.18 0.00 0.70 0.00 0.00 55.95 58.86 1wgd s SER 25 Cb 0.03 -2.52 0.46 0.00 -1.71 0.00 0.00 66.02 62.28 1wgd s SER 25 CO 0.23 -0.84 0.95 0.61 1.20 0.00 0.00 173.24 175.39 1wgd n GLY 26 N -1.37 1.57 3.05 9.45 0.00 0.50 -4.60 105.19 113.78 1wgd n GLY 26 Ca 0.07 -1.28 -0.48 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.06 -0.41 0.16 1.61 2.03 -1.26 -3.85 116.55 114.77 1wgd n ASP 27 Ca 0.09 1.01 0.11 0.00 0.52 0.00 0.00 54.79 56.52 1wgd n ASP 27 Cb 0.82 -0.82 0.57 0.00 -0.72 0.00 0.00 41.12 40.96 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 1.16 0.14 -0.00 -0.67 1.74 -1.26 -0.68 116.66 117.09 1wgd n ARG 28 Ca 0.17 0.61 -0.06 0.00 -0.77 0.00 0.00 57.85 57.80 1wgd n ARG 28 Cb 0.13 -1.94 -0.12 0.00 -1.02 0.00 0.00 32.46 29.50 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 0.27 0.00 -1.56 -0.13 0.00 -1.96 -2.68 103.07 97.00 1wgd h GLY 29 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 1wgd h GLY 29 CO 0.00 0.00 -1.47 0.79 0.00 0.00 0.00 176.54 175.86 1wgd n TRP 30 N -3.02 -1.47 -4.53 5.60 7.02 0.15 -4.85 117.44 116.34 1wgd n TRP 30 Ca -0.14 0.29 -0.23 0.00 -1.02 0.00 0.00 57.50 56.40 1wgd n TRP 30 Cb 0.99 -1.48 -0.16 0.00 -2.42 0.00 0.00 31.31 28.24 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 -1.59 1.54 0.27 -0.99 0.01 -1.26 -3.84 113.70 107.83 1wgd s SER 31 Ca 0.47 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 1wgd s SER 31 Cb -0.04 -0.49 0.43 0.00 0.21 0.00 0.00 66.02 66.12 1wgd s SER 31 CO 0.61 0.07 1.57 0.58 0.41 0.00 0.00 173.24 176.49 1wgd h VAL 32 N 5.51 0.07 -0.61 3.43 2.07 -1.22 1.93 116.25 127.44 1wgd h VAL 32 Ca -0.33 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1wgd h VAL 32 Cb 1.17 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1wgd h VAL 32 CO 0.48 0.00 0.20 1.23 0.02 0.00 0.00 177.57 179.50 1wgd h GLY 33 N 0.00 0.98 0.48 2.17 0.00 -1.60 -2.59 103.07 102.51 1wgd h GLY 33 Ca 0.45 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1wgd h GLY 33 CO -0.95 0.50 -0.08 0.84 0.00 0.00 0.00 176.54 176.85 1wgd h HIS 34 N 0.88 -0.20 -0.95 5.60 6.17 0.17 -3.22 115.15 123.61 1wgd h HIS 34 Ca 0.20 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.37 1wgd h HIS 34 Cb 0.24 0.06 -0.12 0.00 2.52 0.00 0.00 27.41 30.11 1wgd h HIS 34 CO 0.02 0.23 -0.56 1.25 0.71 0.00 0.00 177.93 179.58 1wgd h LEU 35 N -0.73 -2.04 -0.96 0.26 5.85 0.24 0.42 115.31 118.35 1wgd h LEU 35 Ca -0.02 0.32 0.12 0.00 0.84 0.00 0.00 57.88 59.14 1wgd h LEU 35 Cb 0.52 0.91 -0.14 0.00 0.37 0.00 0.00 40.66 42.32 1wgd h LEU 35 CO 0.04 -0.25 -0.45 0.29 -0.34 0.00 0.00 178.44 177.72 1wgd n LYS 36 N -5.29 -0.30 -0.15 1.25 5.02 -0.99 0.16 118.16 117.86 1wgd n LYS 36 Ca 0.03 1.47 -0.03 0.00 -2.02 0.00 0.00 58.31 57.75 1wgd n LYS 36 Cb 0.29 -2.17 0.03 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.99 0.29 -0.76 7.82 0.00 -0.23 0.54 119.26 127.90 1wgd h ALA 37 Ca 0.26 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1wgd h ALA 37 Cb 0.50 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1wgd h ALA 37 CO -0.93 -0.46 0.47 1.25 0.00 0.00 0.00 179.25 179.57 1wgd h HIS 38 N -0.02 0.99 0.29 0.00 -0.00 0.24 -2.58 115.15 114.07 1wgd h HIS 38 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1wgd h HIS 38 Cb 0.38 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1wgd h HIS 38 CO -0.43 0.66 -0.16 -0.07 -0.00 0.00 0.00 177.93 177.93 1wgd h LEU 39 N 1.04 -0.41 -1.70 0.26 3.38 0.44 -1.78 115.31 116.54 1wgd h LEU 39 Ca 0.27 0.02 0.51 0.00 0.09 0.00 0.00 57.88 58.77 1wgd h LEU 39 Cb -0.05 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1wgd h LEU 39 CO -0.05 -0.26 1.21 -0.24 0.09 0.00 0.00 178.44 179.18 1wgd n SER 40 N -3.26 0.03 0.23 -0.43 2.88 0.16 0.86 113.62 114.09 1wgd n SER 40 Ca -0.05 0.96 -0.09 0.00 -1.33 0.00 0.00 58.87 58.36 1wgd n SER 40 Cb 0.17 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 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 -0.58 0.00 -1.46 2.43 -0.93 -3.00 114.38 110.85 1wgd h ARG 41 Ca 0.84 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 60.05 1wgd h ARG 41 Cb 3.28 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 32.96 1wgd h ARG 41 CO -0.08 -0.39 0.00 -0.39 -1.51 0.00 0.00 179.97 177.60 1wgd h VAL 42 N -0.82 0.00 -3.28 0.20 -1.51 0.64 -3.41 116.25 108.06 1wgd h VAL 42 Ca -0.06 -0.15 -0.57 0.00 -1.23 0.00 0.00 66.70 64.69 1wgd h VAL 42 Cb 0.46 0.95 -0.05 0.00 -2.13 0.00 0.00 31.29 30.52 1wgd h VAL 42 CO 0.10 0.00 0.46 -0.31 -1.23 0.00 0.00 177.57 176.59 1wgd s TYR 43 N -3.73 3.47 -0.77 5.19 1.51 0.25 -4.98 117.35 118.28 1wgd s TYR 43 Ca -0.01 1.41 -0.26 0.00 -1.01 0.00 0.00 57.07 57.20 1wgd s TYR 43 Cb 0.10 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.86 1wgd s TYR 43 CO 0.37 -0.22 1.61 -1.25 -1.11 0.00 0.00 175.55 174.95 1wgd s PRO 44 N 2.05 2.97 0.00 -1.71 0.04 -1.26 -3.02 135.00 134.07 1wgd s PRO 44 Ca 0.43 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1wgd s PRO 44 Cb -0.17 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1wgd s PRO 44 CO 0.15 -2.56 0.00 -0.85 0.04 0.00 0.00 177.00 173.78 1wgd n GLU 45 N 9.15 0.00 -2.66 4.56 0.28 -1.26 -5.01 120.64 125.70 1wgd n GLU 45 Ca 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1wgd n GLU 45 Cb 0.50 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.40 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 -1.28 0.00 3.44 5.12 -1.17 -5.04 116.66 117.73 1wgd n ARG 46 Ca 0.00 0.88 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 1wgd n ARG 46 Cb 0.00 -4.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.79 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 -2.18 0.64 -4.43 5.56 -0.04 -1.26 -5.07 135.00 128.22 1wgd n PRO 47 Ca -0.03 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.12 1wgd n PRO 47 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.72 2.32 0.24 0.54 0.52 -1.26 -4.94 118.95 115.65 1wgd s ARG 48 Ca 0.00 -0.88 0.11 0.00 -0.52 0.00 0.00 55.73 54.44 1wgd s ARG 48 Cb 0.00 -2.37 0.21 0.00 0.52 0.00 0.00 34.95 33.30 1wgd s ARG 48 CO 0.00 0.56 1.52 -1.00 0.02 0.00 0.00 175.30 176.40 1wgd h PRO 49 N 4.22 0.00 -1.44 3.54 0.13 -1.93 -2.01 132.00 134.52 1wgd h PRO 49 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1wgd h PRO 49 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1wgd h PRO 49 CO 0.52 0.70 0.40 0.39 -0.23 0.00 0.00 178.00 179.78 1wgd n GLU 50 N -3.61 1.76 0.00 0.86 -0.58 -1.26 -3.88 120.64 113.93 1wgd n GLU 50 Ca -0.01 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.20 1wgd n GLU 50 Cb 0.71 -1.60 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 0.24 0.00 -4.51 1.62 8.00 -1.19 -5.06 116.55 115.65 1wgd n ASP 51 Ca 0.30 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.40 1wgd n ASP 51 Cb 0.66 0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.12 0.12 -2.33 -1.24 6.02 -0.76 -4.60 117.38 112.48 1wgd n GLN 52 Ca 0.00 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1wgd n GLN 52 Cb 0.00 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.51 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 8.87 3.79 -0.44 -1.09 0.52 -0.72 -4.90 118.95 124.99 1wgd s ARG 53 Ca 1.31 1.27 -0.15 0.00 -0.52 0.00 0.00 55.73 57.65 1wgd s ARG 53 Cb -1.12 -3.96 0.05 0.00 0.52 0.00 0.00 34.95 30.44 1wgd s ARG 53 CO 0.46 -1.28 0.33 -0.51 0.02 0.00 0.00 175.30 174.32 1wgd s LEU 54 N 4.87 5.32 -0.38 2.53 1.02 -1.26 -0.36 118.68 130.42 1wgd s LEU 54 Ca 0.61 -1.14 -0.09 0.00 0.02 0.00 0.00 54.13 53.53 1wgd s LEU 54 Cb -0.18 -2.15 0.05 0.00 0.02 0.00 0.00 46.19 43.93 1wgd s LEU 54 CO 0.27 -0.54 0.19 -0.63 0.02 0.00 0.00 176.35 175.66 1wgd s ILE 55 N 1.64 4.22 0.00 -0.59 1.09 -0.15 0.20 121.20 127.62 1wgd s ILE 55 Ca 0.04 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.47 1wgd s ILE 55 Cb -0.22 -3.44 0.00 0.00 -1.06 0.00 0.00 42.46 37.74 1wgd s ILE 55 CO 0.08 -0.31 0.00 0.00 -0.10 0.00 0.00 174.94 174.61 1wgd n TYR 56 N 4.91 0.00 -2.43 3.97 9.36 -1.22 -0.09 117.16 131.66 1wgd n TYR 56 Ca -0.11 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.70 1wgd n TYR 56 Cb 0.45 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.16 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 -0.13 7.27 -0.66 2.98 7.64 -1.26 -4.65 113.62 124.80 1wgd n SER 57 Ca 0.00 -3.41 -0.08 0.00 1.01 0.00 0.00 58.87 56.39 1wgd n SER 57 Cb 0.00 -1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 61.88 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 1.02 0.80 2.81 0.23 0.00 -1.26 -4.91 105.19 103.89 1wgd n GLY 58 Ca 0.49 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.66 1.02 0.40 1.61 1.02 -1.26 -5.11 119.74 114.75 1wgd s LYS 59 Ca 0.00 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 1wgd s LYS 59 Cb 0.00 -2.25 -0.13 0.00 -0.52 0.00 0.00 37.83 34.93 1wgd s LYS 59 CO 0.00 -0.61 0.51 -0.11 -0.92 0.00 0.00 175.35 174.22 1wgd n LEU 60 N 4.92 -0.35 -4.79 3.17 -0.00 -1.26 -3.44 117.00 115.24 1wgd n LEU 60 Ca -0.10 0.92 -0.39 0.00 -0.00 0.00 0.00 56.01 56.44 1wgd n LEU 60 Cb 0.46 -1.08 -0.06 0.00 -0.00 0.00 0.00 43.42 42.74 1wgd n LEU 60 CO 0.15 -2.98 0.38 -0.76 -0.00 0.00 0.00 177.39 174.18 1wgd s LEU 61 N 2.08 4.56 0.00 -1.96 1.43 0.54 -4.89 118.68 120.44 1wgd s LEU 61 Ca 0.63 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1wgd s LEU 61 Cb -0.63 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1wgd s LEU 61 CO 0.59 0.24 0.35 0.18 0.23 0.00 0.00 176.35 177.93 1wgd n LEU 62 N 1.67 0.90 0.00 1.79 4.77 -1.26 -4.68 117.00 120.18 1wgd n LEU 62 Ca -0.08 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1wgd n LEU 62 Cb 0.50 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1wgd n LEU 62 CO 0.44 -0.20 0.00 -0.90 -1.33 0.00 0.00 177.39 175.39 1wgd n ASP 63 N -1.11 0.00 0.10 -1.43 5.68 -1.26 -4.78 116.55 113.74 1wgd n ASP 63 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 1wgd n ASP 63 Cb 0.00 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.29 -2.45 2.11 2.07 -1.95 -1.60 115.15 113.62 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 -0.09 0.14 0.00 2.57 0.00 0.00 27.41 30.04 1wgd h HIS 64 CO 0.00 0.37 -0.28 1.04 -3.07 0.00 0.00 177.93 175.99 1wgd n GLN 65 N -4.30 0.72 -4.03 5.12 6.02 -1.26 -4.75 117.38 114.90 1wgd n GLN 65 Ca -0.00 0.26 -0.32 0.00 -0.01 0.00 0.00 57.00 56.93 1wgd n GLN 65 Cb 0.24 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 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 3.64 0.50 -0.05 0.00 3.38 -1.66 -1.15 115.31 119.97 1wgd h LEU 67 Ca -0.48 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1wgd h LEU 67 Cb 1.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1wgd h LEU 67 CO 0.67 0.35 -0.29 -0.09 0.09 0.00 0.00 178.44 179.17 1wgd h ARG 68 N 0.58 -0.31 0.84 1.13 1.12 -1.75 0.79 114.38 116.79 1wgd h ARG 68 Ca 0.17 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.02 1wgd h ARG 68 Cb -0.01 0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.03 1wgd h ARG 68 CO -0.04 -0.21 -0.40 -0.44 -3.11 0.00 0.00 179.97 175.77 1wgd h ASP 69 N -0.32 -0.96 0.00 -3.80 3.32 -1.82 -3.27 116.42 109.57 1wgd h ASP 69 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1wgd h ASP 69 Cb 0.37 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1wgd h ASP 69 CO -0.22 -0.66 0.00 0.18 -1.72 0.00 0.00 179.24 176.83 1wgd n LEU 70 N -5.56 0.00 -4.76 1.55 4.77 -0.45 -4.41 117.00 108.14 1wgd n LEU 70 Ca -0.15 0.82 -0.38 0.00 -0.03 0.00 0.00 56.01 56.27 1wgd n LEU 70 Cb 0.45 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1wgd n LEU 70 CO 0.38 -0.32 0.94 -0.76 -1.33 0.00 0.00 177.39 176.30 1wgd s LEU 71 N -4.52 3.92 0.00 2.23 1.43 0.27 -5.02 118.68 117.00 1wgd s LEU 71 Ca 0.00 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1wgd s LEU 71 Cb 0.00 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.98 1wgd s LEU 71 CO 0.00 -1.33 0.00 -0.81 0.23 0.00 0.00 176.35 174.44 1wgd n PRO 72 N -0.80 0.45 -2.97 1.29 -0.04 -1.26 -4.68 135.00 126.98 1wgd n PRO 72 Ca 0.09 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 1wgd n PRO 72 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 1wgd n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wgd n LYS 73 N -0.46 3.07 -4.50 0.54 5.02 -1.26 -5.00 118.16 115.57 1wgd n LYS 73 Ca 0.00 -4.76 -0.24 0.00 -2.02 0.00 0.00 58.31 51.29 1wgd n LYS 73 Cb 0.00 -2.20 -0.10 0.00 -0.02 0.00 0.00 35.03 32.71 1wgd n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1wgd s GLN 74 N -3.37 1.79 0.04 1.97 2.00 -1.26 -5.06 119.66 115.77 1wgd s GLN 74 Ca 0.48 -2.04 -0.15 0.00 -2.00 0.00 0.00 55.36 51.65 1wgd s GLN 74 Cb 0.28 -0.89 -0.33 0.00 0.80 0.00 0.00 33.01 32.86 1wgd s GLN 74 CO -0.13 -0.27 1.04 1.49 -0.50 0.00 0.00 175.29 176.92 1wgd h GLU 75 N 1.94 0.56 -6.41 1.67 4.57 -2.05 -3.46 114.58 111.40 1wgd h GLU 75 Ca -0.40 -0.88 -0.62 0.00 -1.18 0.00 0.00 59.36 56.27 1wgd h GLU 75 Cb 1.26 0.32 0.09 0.00 -0.16 0.00 0.00 28.75 30.26 1wgd h GLU 75 CO 0.67 1.42 0.23 0.36 -1.18 0.00 0.00 179.01 180.51 1wgd n LYS 76 N -3.73 1.32 -0.82 1.92 2.85 -1.26 -4.93 118.16 113.51 1wgd n LYS 76 Ca -0.16 0.47 -0.29 0.00 -1.05 0.00 0.00 58.31 57.28 1wgd n LYS 76 Cb 1.07 -1.92 0.24 0.00 -0.65 0.00 0.00 35.03 33.77 1wgd n LYS 76 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1wgd s ARG 77 N -0.89 -1.22 -0.09 -1.58 3.00 -1.26 -5.03 118.95 111.87 1wgd s ARG 77 Ca 0.66 0.30 0.01 0.00 0.00 0.00 0.00 55.73 56.71 1wgd s ARG 77 Cb -0.77 -1.56 -0.02 0.00 0.00 0.00 0.00 34.95 32.60 1wgd s ARG 77 CO 0.55 -3.79 -0.12 -1.01 0.00 0.00 0.00 175.30 170.94 1wgd s HIS 78 N -2.70 2.81 -0.25 -0.53 3.76 -0.75 -5.04 115.29 112.58 1wgd s HIS 78 Ca 0.69 -0.31 -0.06 0.00 -0.15 0.00 0.00 55.06 55.23 1wgd s HIS 78 Cb -0.16 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 1wgd s HIS 78 CO 0.59 0.06 0.04 0.08 -0.85 0.00 0.00 174.74 174.65 1wgd s VAL 79 N -0.27 3.92 0.31 -0.90 1.01 -1.26 -0.47 120.40 122.73 1wgd s VAL 79 Ca 0.02 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1wgd s VAL 79 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1wgd s VAL 79 CO 0.03 0.29 0.11 -0.76 0.00 0.00 0.00 175.10 174.77 1wgd s LEU 80 N 1.54 3.31 -0.34 3.92 2.01 0.49 -4.76 118.68 124.85 1wgd s LEU 80 Ca 0.05 -0.67 0.01 0.00 0.01 0.00 0.00 54.13 53.53 1wgd s LEU 80 Cb -0.15 -1.81 0.11 0.00 0.01 0.00 0.00 46.19 44.34 1wgd s LEU 80 CO 0.01 -0.18 0.11 -1.00 1.01 0.00 0.00 176.35 176.30 1wgd s HIS 81 N -2.36 2.23 -0.58 0.29 3.76 0.86 0.14 115.29 119.64 1wgd s HIS 81 Ca 0.35 -2.15 -0.22 0.00 -0.15 0.00 0.00 55.06 52.89 1wgd s HIS 81 Cb -0.04 -2.03 0.06 0.00 1.11 0.00 0.00 32.58 31.67 1wgd s HIS 81 CO 0.22 -0.88 0.88 -1.17 -0.85 0.00 0.00 174.74 172.94 1wgd s LEU 82 N 1.23 4.44 0.04 0.89 2.96 -1.08 -0.97 118.68 126.19 1wgd s LEU 82 Ca 0.11 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.11 1wgd s LEU 82 Cb -0.19 -2.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.87 1wgd s LEU 82 CO -0.17 -1.24 0.46 -0.69 -1.32 0.00 0.00 176.35 173.39 1wgd s VAL 83 N 3.67 4.95 0.21 1.68 1.01 0.51 -4.78 120.40 127.64 1wgd s VAL 83 Ca 0.23 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 1wgd s VAL 83 Cb -0.16 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1wgd s VAL 83 CO 0.14 0.53 0.78 0.00 0.00 0.00 0.00 175.10 176.54 1wgd n ASN 85 N 1.16 1.05 -3.66 0.00 2.85 -1.26 -4.94 115.26 110.45 1wgd n ASN 85 Ca -0.04 -2.52 -0.09 0.00 -0.11 0.00 0.00 54.58 51.82 1wgd n ASN 85 Cb 0.50 -0.32 -0.10 0.00 1.24 0.00 0.00 39.78 41.10 1wgd n ASN 85 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wgd s VAL 86 N -1.24 -0.54 -0.56 3.44 0.11 -1.26 -5.02 120.40 115.32 1wgd s VAL 86 Ca 0.18 0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.45 1wgd s VAL 86 Cb 0.17 -0.64 0.20 0.00 -1.53 0.00 0.00 36.38 34.58 1wgd s VAL 86 CO -0.01 0.07 0.52 1.17 -3.33 0.00 0.00 175.10 173.51 1wgd n LYS 87 N 5.23 1.37 0.00 1.54 3.00 -1.26 -4.99 118.16 123.05 1wgd n LYS 87 Ca -0.10 -3.97 0.00 0.00 -0.00 0.00 0.00 58.31 54.23 1wgd n LYS 87 Cb 0.50 -1.94 0.00 0.00 0.00 0.00 0.00 35.03 33.59 1wgd n LYS 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wgd n SER 88 N 1.85 0.00 0.00 3.14 2.88 -1.26 -4.85 113.62 115.38 1wgd n SER 88 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1wgd n SER 88 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 0.31 3.17 0.46 0.00 -1.26 -4.90 105.19 102.97 1wgd n GLY 89 Ca 0.00 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 2.25 -3.60 1.61 -0.04 -1.26 -4.77 135.00 129.19 1wgd n PRO 90 Ca 0.00 -2.47 -0.05 0.00 -0.04 0.00 0.00 63.50 60.95 1wgd n PRO 90 Cb 0.00 -3.29 -0.03 0.00 -0.04 0.00 0.00 33.50 30.14 1wgd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgd s SER 91 N 4.58 -0.15 -0.38 3.54 0.15 -1.26 -5.12 113.70 115.06 1wgd s SER 91 Ca 0.56 0.07 0.04 0.00 0.70 0.00 0.00 55.95 57.31 1wgd s SER 91 Cb 0.09 0.14 0.11 0.00 -1.71 0.00 0.00 66.02 64.65 1wgd s SER 91 CO 0.05 -0.20 0.11 -0.94 1.20 0.00 0.00 173.24 173.46 1wgd s SER 92 N -1.74 4.61 0.00 5.45 1.04 -1.26 -5.02 113.70 116.79 1wgd s SER 92 Ca 0.08 -2.36 0.00 0.00 0.48 0.00 0.00 55.95 54.15 1wgd s SER 92 Cb -0.01 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.52 1wgd s SER 92 CO -0.05 -0.34 0.04 0.61 0.98 0.00 0.00 173.24 174.48