#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 n SER 2 N 0.00 -4.48 -3.69 1.61 2.88 -1.26 -5.02 113.62 103.66 2yu0 n SER 2 Ca 0.00 -0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 57.06 2yu0 n SER 2 Cb 0.00 -3.16 -0.18 0.00 -0.75 0.00 0.00 64.21 60.12 2yu0 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu0 s SER 3 N -3.07 1.28 0.13 -3.46 1.04 -1.26 -5.15 113.70 103.21 2yu0 s SER 3 Ca 0.29 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.77 2yu0 s SER 3 Cb -0.13 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 2yu0 s SER 3 CO 0.36 -0.24 -0.07 -0.83 0.98 0.00 0.00 173.24 173.44 2yu0 s GLY 4 N 2.12 0.96 0.43 7.32 0.00 -1.26 -5.17 107.32 111.73 2yu0 s GLY 4 Ca 0.05 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.36 2yu0 s GLY 4 CO -0.04 -1.52 0.03 -0.45 0.00 0.00 0.00 173.10 171.12 2yu0 s SER 5 N -3.12 3.62 -0.86 1.64 0.15 -1.26 -5.05 113.70 108.82 2yu0 s SER 5 Ca 0.16 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.28 2yu0 s SER 5 Cb 0.04 0.10 0.35 0.00 -1.71 0.00 0.00 66.02 64.80 2yu0 s SER 5 CO -0.01 -0.68 1.98 -1.54 1.20 0.00 0.00 173.24 174.19 2yu0 n SER 6 N -1.08 7.44 -2.91 5.45 3.41 -1.26 -4.73 113.62 119.94 2yu0 n SER 6 Ca -0.10 -3.82 -0.32 0.00 -0.26 0.00 0.00 58.87 54.37 2yu0 n SER 6 Cb 0.67 -1.06 -0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2yu0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 7 N -0.49 5.82 3.85 5.00 0.00 -1.26 -5.03 105.19 113.08 2yu0 n GLY 7 Ca 0.53 -2.68 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.92 4.85 0.01 -0.61 1.01 -1.26 -5.11 121.20 115.17 2yu0 s ILE 8 Ca 0.47 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2yu0 s ILE 8 Cb 0.33 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2yu0 s ILE 8 CO -0.21 -0.03 -0.08 -0.69 0.00 0.00 0.00 174.94 173.93 2yu0 s VAL 9 N -1.66 0.59 0.61 2.92 1.01 -1.26 -5.01 120.40 117.61 2yu0 s VAL 9 Ca 0.32 -0.57 0.28 0.00 0.00 0.00 0.00 61.98 62.01 2yu0 s VAL 9 Cb -0.11 -0.55 0.34 0.00 0.00 0.00 0.00 36.38 36.06 2yu0 s VAL 9 CO 0.25 -0.00 1.81 -0.07 0.00 0.00 0.00 175.10 177.09 2yu0 h LEU 10 N 5.48 0.00 0.05 3.92 -0.00 -2.00 0.45 115.31 123.22 2yu0 h LEU 10 Ca -0.32 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.27 2yu0 h LEU 10 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.82 2yu0 h LEU 10 CO 0.47 0.00 -1.58 0.25 -0.00 0.00 0.00 178.44 177.58 2yu0 h LEU 11 N 0.00 0.16 -1.23 1.67 5.85 -1.95 -3.33 115.31 116.48 2yu0 h LEU 11 Ca 0.17 -0.27 0.22 0.00 0.84 0.00 0.00 57.88 58.84 2yu0 h LEU 11 Cb 1.24 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2yu0 h LEU 11 CO -0.00 1.23 0.98 -0.09 -0.34 0.00 0.00 178.44 180.22 2yu0 h ARG 12 N 0.03 0.00 -0.21 1.25 2.43 -0.48 0.61 114.38 118.01 2yu0 h ARG 12 Ca -0.25 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.98 2yu0 h ARG 12 Cb 1.98 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.52 2yu0 h ARG 12 CO 0.11 0.00 0.73 0.78 -1.51 0.00 0.00 179.97 180.08 2yu0 h GLY 13 N 0.00 0.00 0.00 2.80 0.00 -1.68 0.30 103.07 104.49 2yu0 h GLY 13 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2yu0 h GLY 13 CO -0.00 0.00 -0.26 1.41 0.00 0.00 0.00 176.54 177.69 2yu0 h LEU 14 N 0.00 0.00 -1.81 3.11 3.38 -1.19 -3.38 115.31 115.42 2yu0 h LEU 14 Ca 0.10 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.42 2yu0 h LEU 14 Cb 1.56 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 2yu0 h LEU 14 CO -0.00 0.39 0.85 -0.08 0.09 0.00 0.00 178.44 179.69 2yu0 h GLU 15 N -0.53 0.09 0.11 1.13 4.81 -1.57 -0.82 114.58 117.80 2yu0 h GLU 15 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2yu0 h GLU 15 Cb 0.26 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2yu0 h GLU 15 CO 0.00 0.06 -0.42 0.00 -0.73 0.00 0.00 179.01 177.93 2yu0 s ILE 17 N -5.91 3.11 0.45 0.00 -4.36 -0.31 -5.02 121.20 109.15 2yu0 s ILE 17 Ca -0.16 0.61 -0.14 0.00 -0.26 0.00 0.00 60.65 60.70 2yu0 s ILE 17 Cb 0.07 -3.17 -0.07 0.00 1.25 0.00 0.00 42.46 40.54 2yu0 s ILE 17 CO 0.63 -0.23 0.87 0.20 0.24 0.00 0.00 174.94 176.65 2yu0 s ASN 18 N -2.11 6.60 0.59 4.36 -0.87 -1.26 -4.78 114.94 117.48 2yu0 s ASN 18 Ca 0.71 1.36 0.34 0.00 -1.57 0.00 0.00 52.86 53.70 2yu0 s ASN 18 Cb -0.23 -2.42 1.21 0.00 -0.02 0.00 0.00 41.25 39.79 2yu0 s ASN 18 CO 0.34 -0.46 1.44 0.11 -2.57 0.00 0.00 177.10 175.96 2yu0 h LYS 19 N 1.22 0.00 0.31 -0.60 1.79 -1.94 0.14 116.57 117.49 2yu0 h LYS 19 Ca -0.47 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 2yu0 h LYS 19 Cb 1.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2yu0 h LYS 19 CO 0.63 0.00 -0.29 1.25 -1.08 0.00 0.00 179.45 179.95 2yu0 h HIS 20 N 0.00 -0.81 -0.24 -1.35 -0.00 -2.01 -1.21 115.15 109.53 2yu0 h HIS 20 Ca 0.60 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.85 2yu0 h HIS 20 Cb 3.01 0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 30.73 2yu0 h HIS 20 CO 0.00 -0.40 -0.31 1.88 -0.00 0.00 0.00 177.93 179.10 2yu0 h TYR 21 N -0.60 0.78 -1.02 5.26 0.05 -1.37 -3.13 116.97 116.94 2yu0 h TYR 21 Ca -0.04 -0.25 0.28 0.00 0.05 0.00 0.00 58.73 58.76 2yu0 h TYR 21 Cb 0.52 -0.16 -0.13 0.00 1.01 0.00 0.00 36.73 37.97 2yu0 h TYR 21 CO -0.16 0.99 0.61 0.35 -1.05 0.00 0.00 178.16 178.90 2yu0 h PHE 22 N 0.34 0.93 -0.85 4.88 3.57 -1.31 0.31 116.94 124.81 2yu0 h PHE 22 Ca 0.03 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.65 2yu0 h PHE 22 Cb 0.89 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2yu0 h PHE 22 CO 0.08 -0.01 0.50 1.03 -2.23 0.00 0.00 178.31 177.68 2yu0 h SER 23 N 0.47 0.74 -0.35 0.41 0.87 -1.15 -1.94 113.55 112.59 2yu0 h SER 23 Ca 0.67 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 61.25 2yu0 h SER 23 Cb 1.43 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2yu0 h SER 23 CO -0.49 0.43 0.12 -0.07 -0.53 0.00 0.00 176.83 176.29 2yu0 h LEU 24 N 0.85 0.50 -0.55 2.23 4.07 -0.52 -2.90 115.31 118.99 2yu0 h LEU 24 Ca 0.41 -0.19 0.10 0.00 0.08 0.00 0.00 57.88 58.28 2yu0 h LEU 24 Cb 0.34 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 41.87 2yu0 h LEU 24 CO -0.23 0.56 0.08 0.15 -1.08 0.00 0.00 178.44 177.91 2yu0 h PHE 25 N 0.41 0.11 -0.01 1.13 3.57 -1.07 0.17 116.94 121.26 2yu0 h PHE 25 Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2yu0 h PHE 25 Cb 0.23 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2yu0 h PHE 25 CO 0.00 -0.06 0.01 0.87 -2.23 0.00 0.00 178.31 176.91 2yu0 h LYS 26 N 0.21 0.00 -0.10 1.11 1.57 -1.29 -0.65 116.57 117.41 2yu0 h LYS 26 Ca 0.29 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 2yu0 h LYS 26 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2yu0 h LYS 26 CO -0.40 0.00 -0.60 1.03 -0.57 0.00 0.00 179.45 178.91 2yu0 h SER 27 N 0.00 0.39 1.47 0.86 0.87 -0.48 0.67 113.55 117.33 2yu0 h SER 27 Ca 0.01 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 2yu0 h SER 27 Cb 0.02 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2yu0 h SER 27 CO -0.00 0.90 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.59 2yu0 h LEU 28 N 0.26 0.00 0.00 2.23 3.38 -0.54 -3.28 115.31 117.36 2yu0 h LEU 28 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2yu0 h LEU 28 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2yu0 h LEU 28 CO 0.10 0.44 -1.63 0.18 0.09 0.00 0.00 178.44 177.62 2yu0 n LEU 29 N -3.17 0.31 -0.33 1.67 7.99 -0.37 -4.37 117.00 118.73 2yu0 n LEU 29 Ca 0.01 0.06 0.25 0.00 -0.01 0.00 0.00 56.01 56.32 2yu0 n LEU 29 Cb 0.72 -0.02 0.48 0.00 -0.11 0.00 0.00 43.42 44.49 2yu0 n LEU 29 CO 0.40 -0.03 0.99 0.00 -1.51 0.00 0.00 177.39 177.24 2yu0 h ALA 30 N 2.09 1.83 0.03 -1.18 0.00 0.30 0.84 119.26 123.17 2yu0 h ALA 30 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2yu0 h ALA 30 Cb 0.95 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2yu0 h ALA 30 CO 0.00 -0.79 -0.01 0.07 0.00 0.00 0.00 179.25 178.52 2yu0 h ARG 31 N 0.04 -0.03 0.36 0.00 -0.00 -1.79 0.31 114.38 113.27 2yu0 h ARG 31 Ca 0.76 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.72 2yu0 h ARG 31 Cb 1.86 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.84 2yu0 h ARG 31 CO -0.79 0.22 -0.17 -0.44 -0.00 0.00 0.00 179.97 178.78 2yu0 h ASP 32 N -0.28 -0.41 0.01 0.08 3.32 -0.44 -3.12 116.42 115.58 2yu0 h ASP 32 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2yu0 h ASP 32 Cb 0.27 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2yu0 h ASP 32 CO 0.01 -0.12 0.00 0.18 -1.72 0.00 0.00 179.24 177.58 2yu0 n LEU 33 N -4.25 0.36 -2.85 1.55 4.77 0.25 -4.82 117.00 112.01 2yu0 n LEU 33 Ca -0.06 0.67 -0.21 0.00 -0.03 0.00 0.00 56.01 56.38 2yu0 n LEU 33 Cb 0.19 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 40.61 2yu0 n LEU 33 CO 0.15 -0.79 0.03 0.59 -1.33 0.00 0.00 177.39 176.04 2yu0 n ASN 34 N -1.99 -5.80 -4.48 -1.43 3.02 0.88 -4.98 115.26 100.48 2yu0 n ASN 34 Ca -0.01 -0.30 -0.29 0.00 -0.03 0.00 0.00 54.58 53.96 2yu0 n ASN 34 Cb 0.03 -4.59 0.21 0.00 -0.61 0.00 0.00 39.78 34.81 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 -6.23 1.16 -0.45 3.41 1.43 -0.04 -4.99 118.68 112.97 2yu0 s LEU 35 Ca 0.32 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.40 2yu0 s LEU 35 Cb -0.14 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 42.99 2yu0 s LEU 35 CO 0.39 -3.60 0.36 -1.61 0.23 0.00 0.00 176.35 172.12 2yu0 s GLU 36 N -4.93 2.94 0.38 1.70 0.41 -1.26 -4.86 118.70 113.07 2yu0 s GLU 36 Ca 0.67 -1.29 0.32 0.00 -0.41 0.00 0.00 54.97 54.27 2yu0 s GLU 36 Cb -0.19 -4.06 1.23 0.00 -1.78 0.00 0.00 34.13 29.34 2yu0 s GLU 36 CO 0.59 -0.96 1.18 0.54 -0.49 0.00 0.00 175.26 176.12 2yu0 n ARG 37 N 5.16 -0.01 -0.06 1.61 1.74 -1.26 0.16 116.66 124.00 2yu0 n ARG 37 Ca -0.12 0.87 -0.17 0.00 -0.77 0.00 0.00 57.85 57.66 2yu0 n ARG 37 Cb 0.44 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 29.88 2yu0 n ARG 37 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2yu0 h ASP 38 N 0.00 0.06 -0.77 0.55 2.03 -2.04 -3.35 116.42 112.91 2yu0 h ASP 38 Ca 0.69 -0.84 -0.46 0.00 -0.73 0.00 0.00 57.03 55.68 2yu0 h ASP 38 Cb 2.56 -0.02 -0.19 0.00 -0.83 0.00 0.00 39.33 40.85 2yu0 h ASP 38 CO -0.15 1.22 0.57 0.59 -1.03 0.00 0.00 179.24 180.44 2yu0 n ASN 39 N -4.47 6.86 -0.09 4.15 5.03 0.43 -4.40 115.26 122.77 2yu0 n ASN 39 Ca -0.18 -3.32 -0.20 0.00 0.87 0.00 0.00 54.58 51.76 2yu0 n ASN 39 Cb 0.60 -1.06 -0.12 0.00 -1.02 0.00 0.00 39.78 38.18 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2yu0 h GLN 40 N 1.89 0.01 -0.33 3.52 4.20 -1.00 -3.37 115.11 120.03 2yu0 h GLN 40 Ca 0.40 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.98 2yu0 h GLN 40 Cb 0.82 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2yu0 h GLN 40 CO 1.04 1.01 -0.23 1.05 -0.67 0.00 0.00 178.83 181.02 2yu0 h GLU 41 N -0.97 0.75 -0.55 1.46 4.11 -1.87 -2.89 114.58 114.63 2yu0 h GLU 41 Ca -0.25 -0.36 0.16 0.00 0.07 0.00 0.00 59.36 58.98 2yu0 h GLU 41 Cb 1.24 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2yu0 h GLU 41 CO -0.14 0.98 0.74 -0.56 0.07 0.00 0.00 179.01 180.09 2yu0 h GLN 42 N 0.52 0.00 -7.32 1.06 3.07 -1.84 -3.41 115.11 107.20 2yu0 h GLN 42 Ca 0.07 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.31 2yu0 h GLN 42 Cb 0.79 0.00 0.14 0.00 0.08 0.00 0.00 27.48 28.50 2yu0 h GLN 42 CO 0.06 0.00 0.27 0.71 0.09 0.00 0.00 178.83 179.97 2yu0 s TYR 43 N -4.45 2.39 0.38 0.06 2.02 -1.09 -5.07 117.35 111.59 2yu0 s TYR 43 Ca -0.03 1.39 0.03 0.00 -0.37 0.00 0.00 57.07 58.08 2yu0 s TYR 43 Cb 0.13 -3.12 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 2yu0 s TYR 43 CO 0.45 -2.18 0.23 0.25 -1.57 0.00 0.00 175.55 172.73 2yu0 n THR 44 N -3.76 0.00 0.24 -0.71 -2.24 -1.26 -5.03 114.28 101.53 2yu0 n THR 44 Ca 0.08 -1.55 0.14 0.00 -2.27 0.00 0.00 64.05 60.45 2yu0 n THR 44 Cb 0.54 -0.07 0.32 0.00 -2.10 0.00 0.00 70.33 69.02 2yu0 n THR 44 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2yu0 h THR 45 N 0.73 0.00 0.00 4.28 1.35 -1.97 -3.27 112.91 114.02 2yu0 h THR 45 Ca -0.25 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2yu0 h THR 45 Cb 0.89 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2yu0 h THR 45 CO 0.40 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 175.29 2yu0 n ILE 46 N -3.08 0.00 -0.27 6.82 5.41 -1.26 -3.18 119.36 123.80 2yu0 n ILE 46 Ca 0.03 0.49 -0.02 0.00 1.00 0.00 0.00 62.75 64.25 2yu0 n ILE 46 Cb 0.46 -1.48 0.01 0.00 -0.71 0.00 0.00 39.64 37.93 2yu0 n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yu0 n GLN 47 N -2.05 -0.18 -0.22 0.38 6.02 -1.26 0.20 117.38 120.26 2yu0 n GLN 47 Ca 0.00 1.06 -0.02 0.00 -0.01 0.00 0.00 57.00 58.03 2yu0 n GLN 47 Cb 0.00 -1.57 0.09 0.00 1.02 0.00 0.00 30.24 29.78 2yu0 n GLN 47 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2yu0 h ILE 48 N 0.00 0.96 0.12 5.09 1.08 -1.75 -2.82 117.51 120.19 2yu0 h ILE 48 Ca 0.22 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2yu0 h ILE 48 Cb 0.39 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.35 2yu0 h ILE 48 CO -0.68 0.12 -0.51 0.00 -0.69 0.00 0.00 178.15 176.39 2yu0 h ALA 49 N 1.34 -0.94 -0.09 1.87 0.00 0.23 -2.27 119.26 119.40 2yu0 h ALA 49 Ca 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2yu0 h ALA 49 Cb 0.18 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2yu0 h ALA 49 CO -0.18 -1.10 -0.16 -0.91 0.00 0.00 0.00 179.25 176.90 2yu0 h ASN 50 N -0.73 -0.53 -0.83 0.00 2.35 -1.15 0.22 115.58 114.90 2yu0 h ASN 50 Ca 0.00 0.07 0.24 0.00 -0.55 0.00 0.00 56.30 56.06 2yu0 h ASN 50 Cb 0.75 0.21 -0.15 0.00 0.05 0.00 0.00 38.32 39.18 2yu0 h ASN 50 CO -0.28 -0.13 0.06 0.23 -1.65 0.00 0.00 177.43 175.65 2yu0 n MET 51 N -3.46 -0.06 0.28 0.81 2.81 -1.08 -0.31 117.12 116.10 2yu0 n MET 51 Ca -0.01 1.23 -0.13 0.00 -1.81 0.00 0.00 57.70 56.98 2yu0 n MET 51 Cb 0.10 -1.98 -0.07 0.00 -0.71 0.00 0.00 33.22 30.57 2yu0 n MET 51 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2yu0 h MET 52 N 0.00 -0.73 -1.66 0.03 2.86 -0.56 0.18 114.93 115.05 2yu0 h MET 52 Ca 0.52 0.05 0.48 0.00 -2.06 0.00 0.00 59.70 58.69 2yu0 h MET 52 Cb 1.11 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.87 2yu0 h MET 52 CO -0.77 -0.45 1.30 0.39 1.06 0.00 0.00 176.91 178.44 2yu0 n GLU 53 N -5.30 0.00 -0.09 1.72 -0.58 0.62 0.50 120.64 117.52 2yu0 n GLU 53 Ca -0.10 1.00 -0.23 0.00 -0.42 0.00 0.00 57.16 57.40 2yu0 n GLU 53 Cb 0.32 -2.35 -0.12 0.00 -0.57 0.00 0.00 31.44 28.72 2yu0 n GLU 53 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2yu0 n GLU 54 N -3.64 0.61 -0.24 3.49 -0.58 -0.75 -3.75 120.64 115.78 2yu0 n GLU 54 Ca 0.37 0.44 0.02 0.00 -0.42 0.00 0.00 57.16 57.57 2yu0 n GLU 54 Cb 1.79 -1.68 0.14 0.00 -0.57 0.00 0.00 31.44 31.12 2yu0 n GLU 54 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2yu0 h LYS 55 N -0.77 0.52 -2.97 3.49 1.79 0.22 -3.29 116.57 115.56 2yu0 h LYS 55 Ca -0.45 -0.03 -0.62 0.00 -2.18 0.00 0.00 60.65 57.38 2yu0 h LYS 55 Cb 1.52 -0.12 -0.41 0.00 -1.58 0.00 0.00 32.23 31.65 2yu0 h LYS 55 CO -0.20 0.34 -0.69 -0.06 -1.08 0.00 0.00 179.45 177.76 2yu0 s PHE 56 N -6.06 2.70 -1.18 -1.35 0.08 0.59 -4.93 117.98 107.84 2yu0 s PHE 56 Ca -0.13 -2.93 0.14 0.00 0.12 0.00 0.00 56.93 54.14 2yu0 s PHE 56 Cb 0.18 -2.20 0.66 0.00 -0.57 0.00 0.00 43.02 41.09 2yu0 s PHE 56 CO 0.76 -0.68 1.43 -0.35 -0.10 0.00 0.00 175.22 176.28 2yu0 n PRO 57 N 2.64 0.09 -0.02 0.24 -0.04 -1.24 0.11 135.00 136.77 2yu0 n PRO 57 Ca 0.17 0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2yu0 n PRO 57 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 2.57 -0.08 0.00 0.55 0.00 -1.91 -3.39 119.26 117.00 2yu0 h ALA 58 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2yu0 h ALA 58 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2yu0 h ALA 58 CO 0.00 -0.08 -1.92 -0.25 0.00 0.00 0.00 179.25 177.00 2yu0 n ASP 59 N -4.81 0.17 -2.17 0.00 8.00 -1.21 -4.99 116.55 111.55 2yu0 n ASP 59 Ca -0.03 -0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 2yu0 n ASP 59 Cb 0.11 1.92 -0.00 0.00 -0.02 0.00 0.00 41.12 43.13 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 -2.20 -5.31 0.00 -2.24 7.64 0.30 -1.86 113.62 109.95 2yu0 n SER 60 Ca -0.03 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2yu0 n SER 60 Cb 0.54 -4.33 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 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 -1.10 0.58 0.00 0.23 0.00 -1.25 -4.33 105.19 99.32 2yu0 n GLY 61 Ca -0.19 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.32 -0.06 0.99 7.94 -0.78 -3.61 117.00 121.81 2yu0 n LEU 62 Ca 0.00 0.45 -0.10 0.00 -1.11 0.00 0.00 56.01 55.25 2yu0 n LEU 62 Cb 0.00 -0.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.43 2yu0 n LEU 62 CO 0.00 -0.45 0.50 1.23 -1.11 0.00 0.00 177.39 177.56 2yu0 h GLY 63 N 0.00 -1.28 -1.12 -3.96 0.00 -1.95 0.25 103.07 95.01 2yu0 h GLY 63 Ca 0.00 0.73 0.43 0.00 0.00 0.00 0.00 47.33 48.49 2yu0 h GLY 63 CO 0.00 -0.32 0.66 1.17 0.00 0.00 0.00 176.54 178.05 2yu0 n LYS 64 N -4.52 -0.05 0.05 4.80 3.00 -1.26 0.12 118.16 120.29 2yu0 n LYS 64 Ca -0.03 1.30 -0.20 0.00 -0.00 0.00 0.00 58.31 59.38 2yu0 n LYS 64 Cb 0.24 -2.42 -0.13 0.00 0.00 0.00 0.00 35.03 32.73 2yu0 n LYS 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2yu0 h LEU 65 N 0.00 0.66 -0.04 3.14 7.12 -1.00 -3.14 115.31 122.05 2yu0 h LEU 65 Ca 0.84 -0.83 0.04 0.00 0.13 0.00 0.00 57.88 58.06 2yu0 h LEU 65 Cb 2.42 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 42.29 2yu0 h LEU 65 CO -0.64 1.42 -0.39 0.40 -0.13 0.00 0.00 178.44 179.11 2yu0 h ILE 66 N -0.02 0.20 -0.73 4.05 2.04 0.41 -1.64 117.51 121.83 2yu0 h ILE 66 Ca -0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.82 2yu0 h ILE 66 Cb 1.63 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 2yu0 h ILE 66 CO 0.17 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 178.37 2yu0 h GLU 67 N -0.51 0.62 -0.53 2.37 5.08 -1.40 0.10 114.58 120.31 2yu0 h GLU 67 Ca 0.06 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2yu0 h GLU 67 Cb 0.62 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2yu0 h GLU 67 CO -0.33 0.41 0.37 0.35 -1.00 0.00 0.00 179.01 178.81 2yu0 h PHE 68 N 0.64 0.18 0.00 4.33 3.57 -1.27 0.21 116.94 124.59 2yu0 h PHE 68 Ca 0.35 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 2yu0 h PHE 68 Cb 0.36 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2yu0 h PHE 68 CO -0.10 0.08 -0.35 0.00 -2.23 0.00 0.00 178.31 175.71 2yu0 h GLU 70 N 0.00 -0.64 -1.50 0.00 4.39 -0.11 -0.07 114.58 116.65 2yu0 h GLU 70 Ca -0.00 0.04 0.44 0.00 0.34 0.00 0.00 59.36 60.18 2yu0 h GLU 70 Cb 1.19 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 2yu0 h GLU 70 CO 0.05 -0.42 1.20 1.05 -1.16 0.00 0.00 179.01 179.73 2yu0 h GLU 71 N -1.13 0.00 -5.03 2.33 4.11 -1.60 -3.35 114.58 109.91 2yu0 h GLU 71 Ca -0.07 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.73 2yu0 h GLU 71 Cb 0.51 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.60 2yu0 h GLU 71 CO 0.11 0.00 -0.40 0.08 0.07 0.00 0.00 179.01 178.87 2yu0 s VAL 72 N -4.76 5.26 -2.00 -1.06 1.01 -1.18 -4.95 120.40 112.72 2yu0 s VAL 72 Ca -0.04 0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.38 2yu0 s VAL 72 Cb 0.22 -3.59 0.32 0.00 0.00 0.00 0.00 36.38 33.33 2yu0 s VAL 72 CO 0.76 0.23 1.11 -0.81 0.00 0.00 0.00 175.10 176.38 2yu0 n PRO 73 N 5.05 0.49 0.00 2.72 -0.04 -1.26 -1.74 135.00 140.23 2yu0 n PRO 73 Ca -0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.39 2yu0 n PRO 73 Cb 0.52 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2yu0 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 n ALA 74 N -0.86 2.56 0.00 0.55 0.00 -1.26 -4.55 120.51 116.95 2yu0 n ALA 74 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2yu0 n ALA 74 Cb 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.35 0.00 -0.16 0.00 4.77 -0.71 -4.81 117.00 116.44 2yu0 n LEU 75 Ca 0.05 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2yu0 n LEU 75 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2yu0 n LEU 75 CO 0.07 0.00 0.50 0.03 -1.33 0.00 0.00 177.39 176.66 2yu0 h ARG 76 N 0.00 -0.32 -1.69 3.23 3.08 -0.21 0.52 114.38 118.99 2yu0 h ARG 76 Ca 0.00 0.02 0.49 0.00 0.07 0.00 0.00 59.98 60.56 2yu0 h ARG 76 Cb 0.00 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 2yu0 h ARG 76 CO 0.00 -0.22 1.33 -0.22 -1.07 0.00 0.00 179.97 179.79 2yu0 h LYS 77 N -0.34 0.00 0.00 0.04 1.63 -1.87 0.21 116.57 116.24 2yu0 h LYS 77 Ca 0.08 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2yu0 h LYS 77 Cb 0.55 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2yu0 h LYS 77 CO -0.61 0.00 -0.03 -0.09 -3.45 0.00 0.00 179.45 175.27 2yu0 h ARG 78 N 0.00 0.00 -0.41 1.90 9.65 -0.33 -3.33 114.38 121.86 2yu0 h ARG 78 Ca 0.80 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.72 2yu0 h ARG 78 Cb 3.45 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 31.98 2yu0 h ARG 78 CO -0.01 0.32 -0.24 0.00 2.80 0.00 0.00 179.97 182.85 2yu0 n ALA 79 N -2.76 -0.26 -0.33 2.80 0.00 0.72 0.50 120.51 121.18 2yu0 n ALA 79 Ca -0.04 0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.85 2yu0 n ALA 79 Cb 0.17 0.15 0.22 0.00 0.00 0.00 0.00 19.45 19.99 2yu0 n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2yu0 h GLU 80 N 0.00 0.02 -0.79 0.00 4.11 -1.69 0.75 114.58 116.98 2yu0 h GLU 80 Ca 0.06 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.52 2yu0 h GLU 80 Cb 0.17 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2yu0 h GLU 80 CO -0.38 0.01 0.50 0.82 0.07 0.00 0.00 179.01 180.03 2yu0 h ILE 81 N 0.02 1.12 -0.80 -1.06 2.04 -0.06 -1.73 117.51 117.05 2yu0 h ILE 81 Ca 0.52 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 66.10 2yu0 h ILE 81 Cb 0.97 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2yu0 h ILE 81 CO -0.91 0.18 0.52 -0.07 0.00 0.00 0.00 178.15 177.87 2yu0 h LEU 82 N 0.98 0.79 -0.02 1.44 3.38 0.18 -2.60 115.31 119.46 2yu0 h LEU 82 Ca 0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2yu0 h LEU 82 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2yu0 h LEU 82 CO -0.11 0.52 -0.01 0.11 0.09 0.00 0.00 178.44 179.04 2yu0 h LYS 83 N 0.91 0.05 -1.39 1.13 1.57 -0.60 -2.56 116.57 115.67 2yu0 h LYS 83 Ca 0.33 -0.02 0.40 0.00 -1.87 0.00 0.00 60.65 59.50 2yu0 h LYS 83 Cb 0.17 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 2yu0 h LYS 83 CO -0.11 0.47 1.19 1.17 -0.57 0.00 0.00 179.45 181.60 2yu0 n LYS 84 N -4.84 0.01 -0.07 3.15 4.81 -0.79 0.19 118.16 120.61 2yu0 n LYS 84 Ca -0.08 0.94 -0.18 0.00 -0.87 0.00 0.00 58.31 58.12 2yu0 n LYS 84 Cb 0.24 -2.23 -0.13 0.00 0.02 0.00 0.00 35.03 32.92 2yu0 n LYS 84 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2yu0 n GLU 85 N -3.40 0.69 0.07 1.64 -0.58 -1.14 -4.26 120.64 113.66 2yu0 n GLU 85 Ca 0.31 0.19 0.10 0.00 -0.42 0.00 0.00 57.16 57.34 2yu0 n GLU 85 Cb 1.61 -1.61 0.56 0.00 -0.57 0.00 0.00 31.44 31.43 2yu0 n GLU 85 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2yu0 h ARG 86 N 0.03 0.23 -4.40 3.49 0.11 0.24 -3.43 114.38 110.65 2yu0 h ARG 86 Ca -0.50 -0.01 -0.20 0.00 0.10 0.00 0.00 59.98 59.36 2yu0 h ARG 86 Cb 1.99 -0.05 -0.18 0.00 1.11 0.00 0.00 29.97 32.84 2yu0 h ARG 86 CO -0.00 0.15 -0.70 0.45 0.10 0.00 0.00 179.97 179.96 2yu0 s SER 87 N -6.62 0.74 0.05 0.08 0.15 -0.09 -5.07 113.70 102.95 2yu0 s SER 87 Ca -0.06 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2yu0 s SER 87 Cb 0.18 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2yu0 s SER 87 CO 0.72 -0.39 0.00 -1.84 1.20 0.00 0.00 173.24 172.92 2yu0 n GLU 88 N 0.73 0.00 -0.33 5.44 0.28 -1.26 -4.55 120.64 120.94 2yu0 n GLU 88 Ca -0.18 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 56.90 2yu0 n GLU 88 Cb 0.58 -0.25 0.24 0.00 1.43 0.00 0.00 31.44 33.44 2yu0 n GLU 88 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2yu0 h SER 89 N 0.00 0.77 -3.78 -1.84 0.87 -1.97 -3.48 113.55 104.12 2yu0 h SER 89 Ca 0.00 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 2yu0 h SER 89 Cb 0.37 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2yu0 h SER 89 CO 0.00 0.37 -0.05 0.61 -0.53 0.00 0.00 176.83 177.23 2yu0 n GLY 90 N -1.33 -2.12 0.18 5.77 0.00 -1.26 -4.36 105.19 102.07 2yu0 n GLY 90 Ca 0.18 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 2yu0 n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu0 h PRO 91 N 0.00 0.15 -4.72 1.61 0.13 -2.02 -3.46 132.00 123.68 2yu0 h PRO 91 Ca 0.00 -0.08 -0.39 0.00 -0.87 0.00 0.00 66.00 64.67 2yu0 h PRO 91 Cb 0.13 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.13 2yu0 h PRO 91 CO 0.00 0.60 -0.48 -1.12 -0.23 0.00 0.00 178.00 176.76 2yu0 s SER 92 N -6.89 1.20 -0.03 1.44 0.01 -1.26 -5.17 113.70 103.01 2yu0 s SER 92 Ca -0.03 -1.63 -0.01 0.00 1.31 0.00 0.00 55.95 55.59 2yu0 s SER 92 Cb 0.13 0.53 0.02 0.00 0.21 0.00 0.00 66.02 66.91 2yu0 s SER 92 CO 0.77 -1.04 0.05 -0.94 0.41 0.00 0.00 173.24 172.49 2yu0 s SER 93 N -3.30 -0.01 0.00 2.44 1.04 -1.26 -4.99 113.70 107.62 2yu0 s SER 93 Ca 0.39 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.98 2yu0 s SER 93 Cb 0.03 0.04 0.37 0.00 0.10 0.00 0.00 66.02 66.56 2yu0 s SER 93 CO 0.23 -0.08 0.83 0.61 0.98 0.00 0.00 173.24 175.81