#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 s SER 2 N 0.00 5.13 -1.48 1.61 1.04 -1.26 -4.73 113.70 114.01 2yu0 s SER 2 Ca 0.00 -2.74 -0.10 0.00 0.48 0.00 0.00 55.95 53.60 2yu0 s SER 2 Cb 0.00 -1.82 0.06 0.00 0.10 0.00 0.00 66.02 64.36 2yu0 s SER 2 CO 0.00 -0.38 0.85 -0.24 0.98 0.00 0.00 173.24 174.45 2yu0 n SER 3 N 3.62 -3.41 -3.62 7.02 2.88 -1.26 -4.93 113.62 113.92 2yu0 n SER 3 Ca 0.06 -0.83 -0.27 0.00 -1.33 0.00 0.00 58.87 56.50 2yu0 n SER 3 Cb 0.38 -3.77 -0.10 0.00 -0.75 0.00 0.00 64.21 59.97 2yu0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu0 n GLY 4 N -1.67 3.63 0.22 0.46 0.00 -1.26 -4.95 105.19 101.63 2yu0 n GLY 4 Ca -0.07 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 2yu0 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yu0 h SER 5 N 5.06 -0.00 -1.38 1.61 0.87 -1.99 -1.98 113.55 115.74 2yu0 h SER 5 Ca 0.18 0.10 -0.61 0.00 -1.23 0.00 0.00 61.79 60.23 2yu0 h SER 5 Cb 0.78 0.14 -0.20 0.00 -0.44 0.00 0.00 62.40 62.68 2yu0 h SER 5 CO 0.64 0.02 0.85 -1.20 -0.53 0.00 0.00 176.83 176.60 2yu0 n SER 6 N -5.12 6.98 -4.24 6.23 7.64 -1.26 -4.85 113.62 119.00 2yu0 n SER 6 Ca 0.07 -3.38 -0.44 0.00 1.01 0.00 0.00 58.87 56.13 2yu0 n SER 6 Cb 0.29 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2yu0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 7 N 0.57 3.97 3.14 0.23 0.00 -0.75 -4.96 105.19 107.40 2yu0 n GLY 7 Ca 0.52 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 2yu0 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yu0 s ILE 8 N 0.76 1.19 0.14 -0.61 1.01 -1.26 -5.08 121.20 117.36 2yu0 s ILE 8 Ca 0.40 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 2yu0 s ILE 8 Cb 0.01 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2yu0 s ILE 8 CO 0.00 0.24 0.28 0.54 0.00 0.00 0.00 174.94 176.00 2yu0 s VAL 9 N -0.51 0.09 0.57 2.92 0.11 -1.26 -5.02 120.40 117.30 2yu0 s VAL 9 Ca 0.05 -1.19 0.27 0.00 -2.93 0.00 0.00 61.98 58.18 2yu0 s VAL 9 Cb -0.06 -1.59 0.35 0.00 -1.53 0.00 0.00 36.38 33.55 2yu0 s VAL 9 CO 0.00 -0.40 2.13 -0.07 -3.33 0.00 0.00 175.10 173.42 2yu0 h LEU 10 N 2.57 0.00 -0.43 2.54 4.07 -2.01 0.18 115.31 122.22 2yu0 h LEU 10 Ca -0.32 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.59 2yu0 h LEU 10 Cb 1.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 2yu0 h LEU 10 CO 0.50 0.00 -0.23 0.25 -1.08 0.00 0.00 178.44 177.88 2yu0 h LEU 11 N 0.00 0.00 -1.99 1.67 5.85 -1.95 -3.19 115.31 115.70 2yu0 h LEU 11 Ca 0.08 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.99 2yu0 h LEU 11 Cb 0.38 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2yu0 h LEU 11 CO -0.00 0.23 0.51 -0.09 -0.34 0.00 0.00 178.44 178.75 2yu0 h ARG 12 N 0.00 0.00 -1.32 1.25 9.65 -1.04 -1.56 114.38 121.36 2yu0 h ARG 12 Ca -0.00 0.00 0.41 0.00 -1.10 0.00 0.00 59.98 59.29 2yu0 h ARG 12 Cb 1.02 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.49 2yu0 h ARG 12 CO 0.03 0.00 0.87 0.78 2.80 0.00 0.00 179.97 184.45 2yu0 h GLY 13 N 0.00 1.08 0.32 2.80 0.00 -1.69 0.30 103.07 105.89 2yu0 h GLY 13 Ca 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2yu0 h GLY 13 CO -0.00 -0.29 -0.15 1.41 0.00 0.00 0.00 176.54 177.50 2yu0 h LEU 14 N 0.12 -0.37 -1.95 3.11 3.38 -1.57 -3.20 115.31 114.83 2yu0 h LEU 14 Ca 0.77 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.90 2yu0 h LEU 14 Cb 2.48 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 43.30 2yu0 h LEU 14 CO -0.33 -0.15 0.38 -0.33 0.09 0.00 0.00 178.44 178.10 2yu0 h GLU 15 N -0.65 0.04 -0.17 1.13 4.39 -1.45 -2.43 114.58 115.44 2yu0 h GLU 15 Ca -0.04 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.70 2yu0 h GLU 15 Cb 0.33 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 2yu0 h GLU 15 CO 0.07 0.03 -0.44 0.00 -1.16 0.00 0.00 179.01 177.51 2yu0 s ILE 17 N -5.85 2.59 0.52 0.00 -4.36 -0.92 -4.96 121.20 108.23 2yu0 s ILE 17 Ca -0.15 0.53 -0.23 0.00 -0.26 0.00 0.00 60.65 60.54 2yu0 s ILE 17 Cb 0.09 -3.34 -0.06 0.00 1.25 0.00 0.00 42.46 40.41 2yu0 s ILE 17 CO 0.64 0.10 1.37 0.20 0.24 0.00 0.00 174.94 177.49 2yu0 s ASN 18 N 0.12 5.43 0.30 4.36 -0.87 -1.26 -4.50 114.94 118.53 2yu0 s ASN 18 Ca 0.56 2.79 0.09 0.00 -1.57 0.00 0.00 52.86 54.74 2yu0 s ASN 18 Cb -0.42 -2.64 0.92 0.00 -0.02 0.00 0.00 41.25 39.09 2yu0 s ASN 18 CO 0.48 -1.46 1.42 1.17 -2.57 0.00 0.00 177.10 176.13 2yu0 n LYS 19 N -0.82 -0.06 -0.20 -0.60 3.00 -1.26 0.72 118.16 118.93 2yu0 n LYS 19 Ca 0.09 1.31 -0.02 0.00 -0.00 0.00 0.00 58.31 59.69 2yu0 n LYS 19 Cb 0.44 -2.19 0.05 0.00 0.00 0.00 0.00 35.03 33.33 2yu0 n LYS 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2yu0 h HIS 20 N 0.00 -0.46 0.04 5.64 2.76 -2.02 -0.81 115.15 120.30 2yu0 h HIS 20 Ca 0.64 0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.87 2yu0 h HIS 20 Cb 1.52 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.78 2yu0 h HIS 20 CO -0.27 -0.30 -0.02 1.88 -1.30 0.00 0.00 177.93 177.93 2yu0 h TYR 21 N -0.04 -0.04 -0.99 5.26 0.05 -0.03 -3.29 116.97 117.89 2yu0 h TYR 21 Ca 0.29 -0.00 0.24 0.00 0.05 0.00 0.00 58.73 59.31 2yu0 h TYR 21 Cb 0.48 0.01 -0.19 0.00 1.01 0.00 0.00 36.73 38.05 2yu0 h TYR 21 CO -0.54 0.56 -0.09 0.35 -1.05 0.00 0.00 178.16 177.40 2yu0 h PHE 22 N -0.70 -0.25 -0.91 4.88 3.57 -0.71 0.84 116.94 123.66 2yu0 h PHE 22 Ca -0.00 0.08 0.23 0.00 3.53 0.00 0.00 57.97 61.81 2yu0 h PHE 22 Cb 0.63 0.27 -0.13 0.00 2.79 0.00 0.00 35.95 39.51 2yu0 h PHE 22 CO 0.14 -0.43 0.40 1.03 -2.23 0.00 0.00 178.31 177.22 2yu0 h SER 23 N 0.00 0.33 0.55 0.41 0.87 -1.23 -1.35 113.55 113.14 2yu0 h SER 23 Ca 0.55 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 61.24 2yu0 h SER 23 Cb 1.03 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2yu0 h SER 23 CO -0.97 -0.02 -0.26 -0.07 -0.53 0.00 0.00 176.83 174.98 2yu0 h LEU 24 N 0.39 -0.62 -0.99 2.23 4.07 0.58 -3.04 115.31 117.91 2yu0 h LEU 24 Ca 0.58 -0.04 0.22 0.00 0.08 0.00 0.00 57.88 58.72 2yu0 h LEU 24 Cb 1.12 0.16 -0.19 0.00 1.08 0.00 0.00 40.66 42.84 2yu0 h LEU 24 CO -0.54 -0.33 -0.17 0.33 -1.08 0.00 0.00 178.44 176.65 2yu0 n PHE 25 N -5.35 0.44 -0.23 1.13 7.35 -0.54 0.11 117.46 120.37 2yu0 n PHE 25 Ca -0.12 1.20 0.00 0.00 -0.76 0.00 0.00 57.45 57.78 2yu0 n PHE 25 Cb 0.33 -1.13 0.12 0.00 0.35 0.00 0.00 39.48 39.15 2yu0 n PHE 25 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2yu0 h LYS 26 N 0.00 0.57 -0.15 -4.13 1.57 -1.38 0.25 116.57 113.30 2yu0 h LYS 26 Ca 0.51 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.20 2yu0 h LYS 26 Cb 0.88 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2yu0 h LYS 26 CO -0.99 0.38 -0.17 0.77 -0.57 0.00 0.00 179.45 178.86 2yu0 h SER 27 N 0.59 0.23 1.34 0.86 0.02 0.89 1.43 113.55 118.91 2yu0 h SER 27 Ca 0.33 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.10 2yu0 h SER 27 Cb 0.32 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2yu0 h SER 27 CO -0.25 0.43 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.21 2yu0 h LEU 28 N 0.23 0.00 0.00 5.07 3.38 0.40 -3.26 115.31 121.13 2yu0 h LEU 28 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2yu0 h LEU 28 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2yu0 h LEU 28 CO 0.03 0.59 -1.55 0.18 0.09 0.00 0.00 178.44 177.77 2yu0 n LEU 29 N -3.28 0.38 -0.33 1.67 7.99 0.70 -4.47 117.00 119.67 2yu0 n LEU 29 Ca 0.01 -0.09 0.05 0.00 -0.01 0.00 0.00 56.01 55.97 2yu0 n LEU 29 Cb 0.75 -0.02 0.12 0.00 -0.11 0.00 0.00 43.42 44.16 2yu0 n LEU 29 CO 0.41 0.05 0.59 0.00 -1.51 0.00 0.00 177.39 176.94 2yu0 n ALA 30 N -2.01 0.18 0.38 -1.18 0.00 0.48 0.65 120.51 119.00 2yu0 n ALA 30 Ca -0.01 0.99 -0.18 0.00 0.00 0.00 0.00 53.44 54.24 2yu0 n ALA 30 Cb 0.49 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 2yu0 n ALA 30 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2yu0 h ARG 31 N 0.00 -1.05 0.50 0.00 -0.00 -1.79 2.07 114.38 114.12 2yu0 h ARG 31 Ca 0.42 0.07 -0.02 0.00 -0.00 0.00 0.00 59.98 60.45 2yu0 h ARG 31 Cb 0.65 0.24 -0.01 0.00 -0.00 0.00 0.00 29.97 30.85 2yu0 h ARG 31 CO -0.94 -0.70 -0.35 -0.44 -0.00 0.00 0.00 179.97 177.55 2yu0 h ASP 32 N -1.09 -0.90 0.14 0.08 5.19 -1.21 -2.19 116.42 116.44 2yu0 h ASP 32 Ca -0.09 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2yu0 h ASP 32 Cb 0.88 0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 2yu0 h ASP 32 CO 0.07 -0.51 -0.00 -0.07 -3.12 0.00 0.00 179.24 175.60 2yu0 h LEU 33 N -0.81 0.00 -0.57 1.55 3.38 0.16 -3.46 115.31 115.57 2yu0 h LEU 33 Ca -0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 2yu0 h LEU 33 Cb 0.66 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.45 2yu0 h LEU 33 CO 0.04 0.00 -0.26 0.59 0.09 0.00 0.00 178.44 178.91 2yu0 n ASN 34 N -3.16 -3.58 -4.80 -0.43 3.02 0.65 -5.01 115.26 101.95 2yu0 n ASN 34 Ca -0.03 -0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.05 2yu0 n ASN 34 Cb 0.10 -2.26 0.10 0.00 -0.61 0.00 0.00 39.78 37.11 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2yu0 s LEU 35 N -3.27 2.53 -0.68 3.41 1.43 0.20 -4.97 118.68 117.33 2yu0 s LEU 35 Ca 0.19 1.29 -0.21 0.00 -1.03 0.00 0.00 54.13 54.37 2yu0 s LEU 35 Cb -0.08 -3.87 0.09 0.00 0.03 0.00 0.00 46.19 42.36 2yu0 s LEU 35 CO 0.23 -2.05 0.91 -1.61 0.23 0.00 0.00 176.35 174.06 2yu0 s GLU 36 N -5.16 3.16 0.59 1.70 8.01 -1.26 -4.77 118.70 120.96 2yu0 s GLU 36 Ca 0.61 -1.12 0.29 0.00 0.01 0.00 0.00 54.97 54.76 2yu0 s GLU 36 Cb -0.15 -4.33 0.98 0.00 -4.31 0.00 0.00 34.13 26.32 2yu0 s GLU 36 CO 0.54 -1.72 1.29 2.89 0.01 0.00 0.00 175.26 178.27 2yu0 n ARG 37 N 7.11 0.01 -0.04 1.61 -4.01 -1.26 0.22 116.66 120.29 2yu0 n ARG 37 Ca -0.02 1.00 -0.17 0.00 -1.04 0.00 0.00 57.85 57.63 2yu0 n ARG 37 Cb 0.45 -2.48 -0.14 0.00 -3.04 0.00 0.00 32.46 27.26 2yu0 n ARG 37 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2yu0 n ASP 38 N -3.27 1.62 -2.58 2.89 5.68 -1.26 -4.38 116.55 115.25 2yu0 n ASP 38 Ca 0.25 0.15 -0.34 0.00 -0.50 0.00 0.00 54.79 54.35 2yu0 n ASP 38 Cb 1.56 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 41.17 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2yu0 n ASN 39 N -3.27 6.47 0.13 -1.12 4.05 0.59 -4.60 115.26 117.52 2yu0 n ASN 39 Ca -0.32 -3.79 0.10 0.00 0.45 0.00 0.00 54.58 51.02 2yu0 n ASN 39 Cb 1.05 -0.80 0.04 0.00 1.23 0.00 0.00 39.78 41.30 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 2yu0 h GLN 40 N 2.60 0.00 0.07 1.20 4.20 -1.00 -3.36 115.11 118.82 2yu0 h GLN 40 Ca 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.19 2yu0 h GLN 40 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2yu0 h GLN 40 CO 1.22 0.06 -0.03 1.05 -0.67 0.00 0.00 178.83 180.46 2yu0 h GLU 41 N 0.00 -0.09 -1.30 1.46 -0.00 -1.86 -2.87 114.58 109.92 2yu0 h GLU 41 Ca -0.02 0.01 0.38 0.00 -0.00 0.00 0.00 59.36 59.72 2yu0 h GLU 41 Cb 1.09 0.02 -0.05 0.00 -0.00 0.00 0.00 28.75 29.81 2yu0 h GLU 41 CO 0.01 0.25 1.01 -0.56 -0.00 0.00 0.00 179.01 179.71 2yu0 h GLN 42 N -0.43 0.00 -6.87 1.06 3.07 -1.94 -3.39 115.11 106.61 2yu0 h GLN 42 Ca -0.01 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.24 2yu0 h GLN 42 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.95 2yu0 h GLN 42 CO 0.02 0.00 0.42 0.71 0.09 0.00 0.00 178.83 180.07 2yu0 s TYR 43 N -4.83 3.52 0.35 0.06 2.02 -1.09 -5.06 117.35 112.32 2yu0 s TYR 43 Ca -0.05 1.71 0.07 0.00 -0.37 0.00 0.00 57.07 58.44 2yu0 s TYR 43 Cb 0.22 -3.15 -0.07 0.00 -0.40 0.00 0.00 41.96 38.57 2yu0 s TYR 43 CO 0.76 -0.37 -0.02 0.95 -1.57 0.00 0.00 175.55 175.30 2yu0 s THR 44 N -1.41 1.81 0.58 -0.71 -4.23 -1.26 -4.99 115.64 105.43 2yu0 s THR 44 Ca 0.50 -2.08 0.29 0.00 -1.18 0.00 0.00 61.69 59.22 2yu0 s THR 44 Cb -0.26 -2.75 0.40 0.00 1.34 0.00 0.00 72.50 71.23 2yu0 s THR 44 CO 0.33 -0.12 1.85 0.71 -0.54 0.00 0.00 174.62 176.85 2yu0 h THR 45 N 2.01 0.36 0.01 3.99 1.35 -1.97 -0.99 112.91 117.67 2yu0 h THR 45 Ca -0.42 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2yu0 h THR 45 Cb 1.24 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2yu0 h THR 45 CO 0.73 0.00 -0.00 0.40 -0.25 0.00 0.00 175.52 176.40 2yu0 h ILE 46 N 0.00 0.00 -1.18 6.82 1.08 -1.99 -2.44 117.51 119.80 2yu0 h ILE 46 Ca 0.27 -0.05 0.38 0.00 -0.39 0.00 0.00 64.86 65.07 2yu0 h ILE 46 Cb 1.40 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.02 2yu0 h ILE 46 CO -0.00 0.00 0.74 1.56 -0.69 0.00 0.00 178.15 179.75 2yu0 h GLN 47 N -0.05 0.18 -0.02 2.37 4.20 -1.90 1.41 115.11 121.30 2yu0 h GLN 47 Ca -0.00 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 2yu0 h GLN 47 Cb 0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2yu0 h GLN 47 CO 0.00 0.12 -0.71 0.82 -0.67 0.00 0.00 178.83 178.39 2yu0 h ILE 48 N 0.19 1.46 0.67 2.54 1.08 -1.31 -3.17 117.51 118.97 2yu0 h ILE 48 Ca 0.76 -2.31 -0.03 0.00 -0.39 0.00 0.00 64.86 62.89 2yu0 h ILE 48 Cb 2.16 2.24 0.01 0.00 -3.07 0.00 0.00 36.82 38.16 2yu0 h ILE 48 CO -0.46 0.67 -0.32 0.00 -0.69 0.00 0.00 178.15 177.35 2yu0 h ALA 49 N 1.20 -1.18 -0.51 1.87 0.00 0.24 -2.60 119.26 118.28 2yu0 h ALA 49 Ca -0.01 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2yu0 h ALA 49 Cb 1.25 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 2yu0 h ALA 49 CO 0.10 -1.11 -0.37 -0.91 0.00 0.00 0.00 179.25 176.96 2yu0 h ASN 50 N -0.95 -1.27 -0.76 0.00 2.35 -1.56 0.34 115.58 113.73 2yu0 h ASN 50 Ca -0.09 0.22 0.15 0.00 -0.55 0.00 0.00 56.30 56.03 2yu0 h ASN 50 Cb 0.69 0.59 -0.14 0.00 0.05 0.00 0.00 38.32 39.51 2yu0 h ASN 50 CO 0.15 -0.33 -0.19 0.24 -1.65 0.00 0.00 177.43 175.65 2yu0 h MET 51 N -0.23 -0.00 0.20 0.81 2.86 -1.56 -0.71 114.93 116.30 2yu0 h MET 51 Ca 0.19 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2yu0 h MET 51 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2yu0 h MET 51 CO -0.63 -0.00 -0.09 0.52 1.06 0.00 0.00 176.91 177.76 2yu0 h MET 52 N -0.00 -0.26 -1.59 1.72 2.86 -0.66 0.43 114.93 117.44 2yu0 h MET 52 Ca 0.36 0.02 0.49 0.00 -2.06 0.00 0.00 59.70 58.51 2yu0 h MET 52 Cb 0.55 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.17 2yu0 h MET 52 CO -0.78 -0.06 1.09 0.93 1.06 0.00 0.00 176.91 179.15 2yu0 h GLU 53 N -0.41 0.03 0.02 1.72 5.08 0.51 1.11 114.58 122.63 2yu0 h GLU 53 Ca -0.03 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 2yu0 h GLU 53 Cb 0.31 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2yu0 h GLU 53 CO 0.04 0.02 -1.95 0.39 -1.00 0.00 0.00 179.01 176.52 2yu0 n GLU 54 N -4.35 0.66 0.27 2.33 1.02 -0.91 -4.00 120.64 115.66 2yu0 n GLU 54 Ca 0.40 0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 57.60 2yu0 n GLU 54 Cb 1.68 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 31.32 2yu0 n GLU 54 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2yu0 h LYS 55 N 0.01 -0.65 -3.27 3.49 1.63 0.34 -3.37 116.57 114.75 2yu0 h LYS 55 Ca -0.38 0.04 -0.66 0.00 -0.85 0.00 0.00 60.65 58.81 2yu0 h LYS 55 Cb 2.07 0.15 -0.39 0.00 -0.60 0.00 0.00 32.23 33.45 2yu0 h LYS 55 CO 0.06 -0.36 -0.43 -0.06 -3.45 0.00 0.00 179.45 175.21 2yu0 s PHE 56 N -5.26 3.55 -2.00 1.91 0.08 0.33 -4.91 117.98 111.69 2yu0 s PHE 56 Ca -0.15 -3.14 0.15 0.00 0.12 0.00 0.00 56.93 53.91 2yu0 s PHE 56 Cb 0.03 -2.94 0.91 0.00 -0.57 0.00 0.00 43.02 40.45 2yu0 s PHE 56 CO 0.56 -0.67 1.32 -0.35 -0.10 0.00 0.00 175.22 175.97 2yu0 n PRO 57 N 2.50 0.49 -0.08 0.24 -0.04 -1.26 0.97 135.00 137.83 2yu0 n PRO 57 Ca 0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2yu0 n PRO 57 Cb 0.35 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 2yu0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 h ALA 58 N 2.95 0.07 0.00 0.55 0.00 -1.90 -3.41 119.26 117.52 2yu0 h ALA 58 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2yu0 h ALA 58 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2yu0 h ALA 58 CO 0.00 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 2yu0 n ASP 59 N -4.59 1.39 -2.03 0.00 8.00 -1.18 -4.98 116.55 113.16 2yu0 n ASP 59 Ca -0.14 -1.54 -0.13 0.00 0.71 0.00 0.00 54.79 53.70 2yu0 n ASP 59 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2yu0 n SER 60 N -0.27 -3.71 0.00 -2.24 7.64 0.27 0.64 113.62 115.96 2yu0 n SER 60 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2yu0 n SER 60 Cb 0.19 -3.27 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 2yu0 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 61 N -0.59 3.36 0.39 0.23 0.00 -1.25 -4.39 105.19 102.94 2yu0 n GLY 61 Ca -0.14 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.23 2yu0 n GLY 61 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yu0 n LEU 62 N 0.00 0.26 0.06 0.99 7.94 0.21 -0.86 117.00 125.59 2yu0 n LEU 62 Ca 0.00 1.44 -0.05 0.00 -1.11 0.00 0.00 56.01 56.29 2yu0 n LEU 62 Cb 0.00 -0.71 -0.03 0.00 0.53 0.00 0.00 43.42 43.21 2yu0 n LEU 62 CO 0.00 -1.59 0.15 1.23 -1.11 0.00 0.00 177.39 176.06 2yu0 h GLY 63 N 0.00 -0.26 -0.52 -3.96 0.00 -1.91 -2.93 103.07 93.49 2yu0 h GLY 63 Ca 0.83 0.09 0.33 0.00 0.00 0.00 0.00 47.33 48.59 2yu0 h GLY 63 CO -0.58 -0.09 0.72 1.70 0.00 0.00 0.00 176.54 178.29 2yu0 h LYS 64 N -1.05 0.27 0.10 4.80 1.63 -1.38 0.82 116.57 121.76 2yu0 h LYS 64 Ca -0.03 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2yu0 h LYS 64 Cb 0.27 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2yu0 h LYS 64 CO 0.04 0.18 -0.05 1.25 -3.45 0.00 0.00 179.45 177.42 2yu0 h LEU 65 N 0.28 -0.11 -0.87 5.20 7.12 -1.10 -3.20 115.31 122.64 2yu0 h LEU 65 Ca 0.69 -0.31 0.09 0.00 0.13 0.00 0.00 57.88 58.48 2yu0 h LEU 65 Cb 1.90 0.03 -0.12 0.00 -0.53 0.00 0.00 40.66 41.94 2yu0 h LEU 65 CO -0.38 0.26 -0.54 0.40 -0.13 0.00 0.00 178.44 178.05 2yu0 h ILE 66 N -0.50 0.01 -0.51 4.05 2.04 -0.63 -0.45 117.51 121.51 2yu0 h ILE 66 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2yu0 h ILE 66 Cb 0.41 0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 2yu0 h ILE 66 CO 0.02 0.00 -0.46 -0.33 0.00 0.00 0.00 178.15 177.38 2yu0 h GLU 67 N -0.09 -0.27 -0.99 2.37 5.08 -1.57 0.61 114.58 119.73 2yu0 h GLU 67 Ca 0.17 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.81 2yu0 h GLU 67 Cb 0.48 0.06 -0.19 0.00 0.50 0.00 0.00 28.75 29.61 2yu0 h GLU 67 CO -0.87 -0.18 -0.02 0.34 -1.00 0.00 0.00 179.01 177.28 2yu0 n PHE 68 N -5.40 0.59 0.08 4.33 7.35 -0.21 -0.37 117.46 123.84 2yu0 n PHE 68 Ca 0.00 1.20 -0.13 0.00 -0.76 0.00 0.00 57.45 57.76 2yu0 n PHE 68 Cb 0.35 -1.22 -0.08 0.00 0.35 0.00 0.00 39.48 38.87 2yu0 n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2yu0 n GLU 70 N -5.02 -0.31 -0.23 0.00 -0.58 0.51 0.57 120.64 115.58 2yu0 n GLU 70 Ca -0.09 1.38 0.02 0.00 -0.42 0.00 0.00 57.16 58.05 2yu0 n GLU 70 Cb 0.24 -2.03 0.10 0.00 -0.57 0.00 0.00 31.44 29.18 2yu0 n GLU 70 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2yu0 h GLU 71 N 0.00 0.05 -6.09 3.49 4.39 -1.45 -3.39 114.58 111.58 2yu0 h GLU 71 Ca 0.23 -0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.36 2yu0 h GLU 71 Cb 0.45 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2yu0 h GLU 71 CO -0.87 0.04 0.24 0.08 -1.16 0.00 0.00 179.01 177.33 2yu0 s VAL 72 N -6.18 4.96 0.18 3.13 1.01 0.19 -4.94 120.40 118.75 2yu0 s VAL 72 Ca -0.14 1.64 0.29 0.00 0.00 0.00 0.00 61.98 63.76 2yu0 s VAL 72 Cb 0.20 -4.13 0.31 0.00 0.00 0.00 0.00 36.38 32.76 2yu0 s VAL 72 CO 0.74 0.17 1.94 1.55 0.00 0.00 0.00 175.10 179.50 2yu0 h PRO 73 N 6.93 0.00 -0.00 2.72 0.13 -1.75 0.83 132.00 140.86 2yu0 h PRO 73 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2yu0 h PRO 73 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2yu0 h PRO 73 CO 0.78 0.12 -0.11 0.00 -0.23 0.00 0.00 178.00 178.55 2yu0 n ALA 74 N -2.18 2.71 0.00 -0.56 0.00 -1.26 -3.71 120.51 115.51 2yu0 n ALA 74 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2yu0 n ALA 74 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2yu0 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yu0 n LEU 75 N -1.20 0.00 -0.26 0.00 4.77 -0.92 -4.66 117.00 114.73 2yu0 n LEU 75 Ca 0.12 0.00 0.33 0.00 -0.03 0.00 0.00 56.01 56.42 2yu0 n LEU 75 Cb 0.29 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.01 2yu0 n LEU 75 CO 0.26 0.00 1.30 0.03 -1.33 0.00 0.00 177.39 177.65 2yu0 h ARG 76 N 0.00 0.00 -0.51 3.23 3.08 -0.79 0.80 114.38 120.19 2yu0 h ARG 76 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2yu0 h ARG 76 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2yu0 h ARG 76 CO 0.00 0.00 0.12 -0.22 -1.07 0.00 0.00 179.97 178.80 2yu0 h LYS 77 N 0.00 0.82 -0.06 0.04 1.63 -1.83 -2.76 116.57 114.40 2yu0 h LYS 77 Ca 0.53 -0.20 -0.18 0.00 -0.85 0.00 0.00 60.65 59.94 2yu0 h LYS 77 Cb 2.59 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 34.11 2yu0 h LYS 77 CO -0.01 0.79 -0.74 0.00 -3.45 0.00 0.00 179.45 176.04 2yu0 h ARG 78 N 0.71 0.37 0.19 1.90 2.47 0.27 -3.15 114.38 117.13 2yu0 h ARG 78 Ca 0.16 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2yu0 h ARG 78 Cb 0.34 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2yu0 h ARG 78 CO 0.00 0.96 -0.18 0.00 0.56 0.00 0.00 179.97 181.31 2yu0 h ALA 79 N 0.95 -0.90 -0.45 0.04 0.00 -1.25 -1.34 119.26 116.31 2yu0 h ALA 79 Ca -0.03 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2yu0 h ALA 79 Cb 1.32 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 2yu0 h ALA 79 CO 0.13 -0.91 -0.36 1.05 0.00 0.00 0.00 179.25 179.16 2yu0 h GLU 80 N -0.37 -0.24 -0.92 0.00 4.11 -1.62 0.93 114.58 116.48 2yu0 h GLU 80 Ca -0.02 0.02 0.24 0.00 0.07 0.00 0.00 59.36 59.67 2yu0 h GLU 80 Cb 0.32 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 2yu0 h GLU 80 CO -0.02 -0.16 0.40 0.82 0.07 0.00 0.00 179.01 180.12 2yu0 h ILE 81 N -0.25 0.41 0.42 -1.06 2.04 -1.49 -1.14 117.51 116.44 2yu0 h ILE 81 Ca 0.18 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2yu0 h ILE 81 Cb 0.55 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2yu0 h ILE 81 CO -0.58 0.06 -0.20 -0.07 0.00 0.00 0.00 178.15 177.36 2yu0 h LEU 82 N 0.35 -0.48 -1.36 1.44 3.38 0.32 -2.96 115.31 116.01 2yu0 h LEU 82 Ca 0.60 -0.10 0.41 0.00 0.09 0.00 0.00 57.88 58.88 2yu0 h LEU 82 Cb 1.20 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 2yu0 h LEU 82 CO -0.57 -0.16 0.80 0.11 0.09 0.00 0.00 178.44 178.71 2yu0 h LYS 83 N -0.83 0.13 -0.55 1.13 1.57 -0.03 0.74 116.57 118.74 2yu0 h LYS 83 Ca -0.06 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2yu0 h LYS 83 Cb 0.55 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2yu0 h LYS 83 CO 0.10 0.09 0.35 -0.22 -0.57 0.00 0.00 179.45 179.19 2yu0 h LYS 84 N 0.13 0.69 0.01 3.15 3.64 -1.23 -2.89 116.57 120.06 2yu0 h LYS 84 Ca 0.79 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 60.12 2yu0 h LYS 84 Cb 2.37 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 34.03 2yu0 h LYS 84 CO -0.43 0.45 -0.00 0.93 -2.27 0.00 0.00 179.45 178.13 2yu0 h GLU 85 N 0.71 -0.01 -0.94 1.90 4.39 0.44 -3.27 114.58 117.79 2yu0 h GLU 85 Ca 0.21 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.04 2yu0 h GLU 85 Cb -0.05 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.46 2yu0 h GLU 85 CO -0.06 0.47 -0.40 -2.13 -1.16 0.00 0.00 179.01 175.73 2yu0 n ARG 86 N -4.86 -0.25 -2.75 2.33 0.63 -0.60 -4.35 116.66 106.81 2yu0 n ARG 86 Ca -0.08 1.45 -0.35 0.00 -0.92 0.00 0.00 57.85 57.94 2yu0 n ARG 86 Cb 0.25 -2.14 -0.06 0.00 0.45 0.00 0.00 32.46 30.96 2yu0 n ARG 86 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2yu0 s SER 87 N -5.36 6.98 -0.68 6.15 0.15 -1.10 -5.02 113.70 114.82 2yu0 s SER 87 Ca -0.13 1.80 -0.08 0.00 0.70 0.00 0.00 55.95 58.25 2yu0 s SER 87 Cb 0.18 -2.56 0.18 0.00 -1.71 0.00 0.00 66.02 62.10 2yu0 s SER 87 CO 0.66 -0.33 0.55 -1.83 1.20 0.00 0.00 173.24 173.49 2yu0 s GLU 88 N -2.74 2.94 -1.36 5.44 -1.05 -1.26 -4.74 118.70 115.93 2yu0 s GLU 88 Ca 0.58 -2.40 -0.17 0.00 -0.15 0.00 0.00 54.97 52.84 2yu0 s GLU 88 Cb -0.14 -4.02 0.17 0.00 -0.44 0.00 0.00 34.13 29.70 2yu0 s GLU 88 CO 0.19 -1.22 0.42 0.43 0.95 0.00 0.00 175.26 176.03 2yu0 n SER 89 N 3.87 -1.26 -4.81 0.83 7.64 -1.26 -4.84 113.62 113.79 2yu0 n SER 89 Ca 0.08 -0.90 -0.35 0.00 1.01 0.00 0.00 58.87 58.70 2yu0 n SER 89 Cb 0.42 -1.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.39 2yu0 n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu0 s GLY 90 N -2.67 2.61 -0.66 0.23 0.00 -1.26 -4.98 107.32 100.60 2yu0 s GLY 90 Ca 0.59 0.33 -0.26 0.00 0.00 0.00 0.00 44.72 45.38 2yu0 s GLY 90 CO 0.74 0.69 1.88 2.56 0.00 0.00 0.00 173.10 178.97 2yu0 s PRO 91 N -2.34 2.61 -1.63 2.90 0.04 -1.26 -3.75 135.00 131.57 2yu0 s PRO 91 Ca 0.50 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 61.91 2yu0 s PRO 91 Cb -0.15 -4.50 0.09 0.00 0.04 0.00 0.00 34.50 29.98 2yu0 s PRO 91 CO 0.20 -2.84 0.43 0.45 0.04 0.00 0.00 177.00 175.28 2yu0 n SER 92 N 12.96 -1.01 -2.53 6.66 2.88 -1.26 -4.82 113.62 126.49 2yu0 n SER 92 Ca 0.23 -1.14 -0.34 0.00 -1.33 0.00 0.00 58.87 56.29 2yu0 n SER 92 Cb 0.51 -2.24 0.04 0.00 -0.75 0.00 0.00 64.21 61.78 2yu0 n SER 92 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yu0 n SER 93 N -2.76 7.39 0.00 -3.46 3.41 -1.25 -5.28 113.62 111.67 2yu0 n SER 93 Ca -0.13 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 2yu0 n SER 93 Cb 0.59 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2yu0 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49