#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 6.20 -0.29 1.61 0.01 -1.26 -4.96 113.70 115.01 2yu0 s SER 2 Ca 0.00 -1.35 -0.13 0.00 1.31 0.00 0.00 55.95 55.78 2yu0 s SER 2 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2yu0 s SER 2 CO 0.00 -1.79 0.26 -0.94 0.41 0.00 0.00 173.24 171.19 2yu0 s SER 3 N 5.62 6.10 0.00 2.44 1.04 -1.26 -4.78 113.70 122.86 2yu0 s SER 3 Ca 0.52 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2yu0 s SER 3 Cb -0.01 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2yu0 s SER 3 CO -0.06 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2yu0 n GLY 4 N 4.96 -0.24 3.78 7.32 0.00 -1.26 -5.15 105.19 114.60 2yu0 n GLY 4 Ca -0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2yu0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu0 s SER 5 N 0.00 7.32 -0.74 1.61 0.01 -1.26 -5.02 113.70 115.62 2yu0 s SER 5 Ca 0.00 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.07 2yu0 s SER 5 Cb 0.00 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.85 2yu0 s SER 5 CO 0.00 -0.05 0.56 -0.44 0.41 0.00 0.00 173.24 173.72 2yu0 s SER 6 N -1.60 5.26 -0.41 2.44 0.01 -1.26 -4.84 113.70 113.31 2yu0 s SER 6 Ca 0.49 -3.52 0.08 0.00 1.31 0.00 0.00 55.95 54.31 2yu0 s SER 6 Cb -0.19 -1.78 0.36 0.00 0.21 0.00 0.00 66.02 64.63 2yu0 s SER 6 CO 0.24 -0.19 1.30 0.61 0.41 0.00 0.00 173.24 175.61 2yu0 n GLY 7 N 2.52 1.07 3.57 3.44 0.00 -1.26 -5.14 105.19 109.40 2yu0 n GLY 7 Ca 0.16 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 0.20 3.57 0.00 -0.61 1.09 -1.26 -5.06 121.20 119.14 2yu0 s ILE 8 Ca 0.21 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 2yu0 s ILE 8 Cb 0.36 -2.50 -0.00 0.00 -1.06 0.00 0.00 42.46 39.26 2yu0 s ILE 8 CO -0.08 0.49 -0.01 0.54 -0.10 0.00 0.00 174.94 175.78 2yu0 s VAL 9 N -0.89 0.09 0.47 2.92 0.11 -1.26 -5.01 120.40 116.83 2yu0 s VAL 9 Ca 0.15 -0.22 0.42 0.00 -2.93 0.00 0.00 61.98 59.40 2yu0 s VAL 9 Cb -0.11 -0.12 0.62 0.00 -1.53 0.00 0.00 36.38 35.24 2yu0 s VAL 9 CO 0.04 -0.08 1.34 0.18 -3.33 0.00 0.00 175.10 173.25 2yu0 n LEU 10 N 2.76 0.01 -0.03 2.54 4.77 -1.26 0.19 117.00 125.98 2yu0 n LEU 10 Ca -0.15 0.88 -0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2yu0 n LEU 10 Cb 0.59 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2yu0 n LEU 10 CO 0.25 -0.89 0.61 0.25 -1.33 0.00 0.00 177.39 176.28 2yu0 h LEU 11 N 0.00 0.17 -1.13 2.23 7.12 -1.96 -2.95 115.31 118.80 2yu0 h LEU 11 Ca 0.80 -0.51 0.01 0.00 0.13 0.00 0.00 57.88 58.31 2yu0 h LEU 11 Cb 3.19 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 43.27 2yu0 h LEU 11 CO -0.04 0.65 0.63 0.03 -0.13 0.00 0.00 178.44 179.58 2yu0 h ARG 12 N -0.29 0.00 0.00 1.25 2.47 0.18 -1.07 114.38 116.91 2yu0 h ARG 12 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2yu0 h ARG 12 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2yu0 h ARG 12 CO 0.02 0.00 0.61 0.78 0.56 0.00 0.00 179.97 181.94 2yu0 h GLY 13 N 0.00 0.00 0.00 0.04 0.00 -1.47 0.20 103.07 101.84 2yu0 h GLY 13 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2yu0 h GLY 13 CO -0.00 0.00 -0.35 1.41 0.00 0.00 0.00 176.54 177.60 2yu0 h LEU 14 N 0.00 0.00 -1.57 3.11 3.38 -1.45 -3.35 115.31 115.42 2yu0 h LEU 14 Ca 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2yu0 h LEU 14 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2yu0 h LEU 14 CO 0.00 0.81 -0.04 -0.33 0.09 0.00 0.00 178.44 178.97 2yu0 h GLU 15 N -1.00 0.22 -0.43 1.13 4.39 -1.33 -2.86 114.58 114.71 2yu0 h GLU 15 Ca -0.05 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.70 2yu0 h GLU 15 Cb 0.52 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.05 2yu0 h GLU 15 CO -0.03 0.28 -0.13 0.00 -1.16 0.00 0.00 179.01 177.97 2yu0 s ILE 17 N -6.20 3.65 0.27 0.00 -4.36 -1.08 -4.96 121.20 108.52 2yu0 s ILE 17 Ca -0.14 1.21 -0.30 0.00 -0.26 0.00 0.00 60.65 61.16 2yu0 s ILE 17 Cb 0.15 -3.78 -0.13 0.00 1.25 0.00 0.00 42.46 39.95 2yu0 s ILE 17 CO 0.71 0.11 1.30 0.59 0.24 0.00 0.00 174.94 177.89 2yu0 n ASN 18 N 3.71 2.46 -0.31 4.36 4.13 -1.26 -4.53 115.26 123.81 2yu0 n ASN 18 Ca 0.09 1.17 0.28 0.00 1.68 0.00 0.00 54.58 57.80 2yu0 n ASN 18 Cb 0.44 -1.41 0.48 0.00 -1.54 0.00 0.00 39.78 37.76 2yu0 n ASN 18 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2yu0 n LYS 19 N 1.43 -0.03 -0.16 3.52 0.00 -1.26 0.14 118.16 121.79 2yu0 n LYS 19 Ca 0.10 0.98 -0.13 0.00 0.00 0.00 0.00 58.31 59.26 2yu0 n LYS 19 Cb 0.32 -1.86 -0.09 0.00 0.00 0.00 0.00 35.03 33.40 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 -1.63 -0.08 5.64 2.76 -2.01 0.36 115.15 120.19 2yu0 h HIS 20 Ca 0.65 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.89 2yu0 h HIS 20 Cb 1.96 0.77 -0.00 0.00 1.55 0.00 0.00 27.41 31.69 2yu0 h HIS 20 CO -0.01 -0.47 -0.03 1.88 -1.30 0.00 0.00 177.93 178.00 2yu0 h TYR 21 N -0.35 0.17 -0.96 5.26 0.05 -0.62 -3.12 116.97 117.40 2yu0 h TYR 21 Ca 0.10 -0.04 0.31 0.00 0.05 0.00 0.00 58.73 59.14 2yu0 h TYR 21 Cb 0.58 -0.04 -0.16 0.00 1.01 0.00 0.00 36.73 38.12 2yu0 h TYR 21 CO -0.73 0.51 0.35 0.35 -1.05 0.00 0.00 178.16 177.58 2yu0 h PHE 22 N -0.21 0.53 -0.97 4.88 3.57 -1.05 0.83 116.94 124.53 2yu0 h PHE 22 Ca 0.02 0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.73 2yu0 h PHE 22 Cb 0.45 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 2yu0 h PHE 22 CO 0.06 -0.31 0.61 1.03 -2.23 0.00 0.00 178.31 177.48 2yu0 h SER 23 N 0.15 0.76 -0.25 0.41 0.87 -0.88 -1.11 113.55 113.50 2yu0 h SER 23 Ca 0.67 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 61.25 2yu0 h SER 23 Cb 1.53 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 2yu0 h SER 23 CO -0.72 0.34 -0.02 -0.07 -0.53 0.00 0.00 176.83 175.83 2yu0 h LEU 24 N 0.78 0.45 -0.71 2.23 4.07 0.58 -2.90 115.31 119.81 2yu0 h LEU 24 Ca 0.51 -0.33 0.11 0.00 0.08 0.00 0.00 57.88 58.25 2yu0 h LEU 24 Cb 0.76 -0.12 -0.08 0.00 1.08 0.00 0.00 40.66 42.30 2yu0 h LEU 24 CO -0.28 0.68 0.32 0.15 -1.08 0.00 0.00 178.44 178.23 2yu0 h PHE 25 N 0.22 0.57 -0.56 1.13 3.57 -0.96 -0.04 116.94 120.86 2yu0 h PHE 25 Ca 0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2yu0 h PHE 25 Cb 0.46 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2yu0 h PHE 25 CO 0.04 0.16 0.33 0.87 -2.23 0.00 0.00 178.31 177.49 2yu0 h LYS 26 N 0.53 0.75 -0.45 1.11 1.57 -1.32 -1.04 116.57 117.73 2yu0 h LYS 26 Ca 0.36 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 2yu0 h LYS 26 Cb 0.44 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2yu0 h LYS 26 CO -0.31 0.53 -0.09 1.03 -0.57 0.00 0.00 179.45 180.04 2yu0 h SER 27 N 0.77 0.78 0.70 0.86 0.87 -0.82 1.17 113.55 117.87 2yu0 h SER 27 Ca 0.20 -0.22 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 2yu0 h SER 27 Cb -0.02 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2yu0 h SER 27 CO -0.04 0.90 -0.72 -0.07 -0.53 0.00 0.00 176.83 176.36 2yu0 h LEU 28 N 0.72 0.02 0.00 2.23 3.38 -0.67 -3.18 115.31 117.82 2yu0 h LEU 28 Ca 0.13 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2yu0 h LEU 28 Cb 0.57 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2yu0 h LEU 28 CO 0.03 0.74 -1.28 0.18 0.09 0.00 0.00 178.44 178.20 2yu0 n LEU 29 N -3.69 0.75 -0.25 1.67 7.99 -0.46 -4.33 117.00 118.67 2yu0 n LEU 29 Ca -0.01 0.30 0.04 0.00 -0.01 0.00 0.00 56.01 56.34 2yu0 n LEU 29 Cb 0.70 0.01 0.10 0.00 -0.11 0.00 0.00 43.42 44.12 2yu0 n LEU 29 CO 0.44 -0.04 0.47 0.00 -1.51 0.00 0.00 177.39 176.74 2yu0 n ALA 30 N -2.28 0.18 0.31 -1.18 0.00 0.40 0.41 120.51 118.35 2yu0 n ALA 30 Ca -0.05 0.77 -0.14 0.00 0.00 0.00 0.00 53.44 54.03 2yu0 n ALA 30 Cb 0.67 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.82 0.48 0.00 -0.00 -1.77 1.78 114.38 114.05 2yu0 h ARG 31 Ca 0.34 0.06 -0.02 0.00 -0.00 0.00 0.00 59.98 60.36 2yu0 h ARG 31 Cb 0.53 0.19 -0.02 0.00 -0.00 0.00 0.00 29.97 30.67 2yu0 h ARG 31 CO -0.72 -0.55 -0.43 -0.44 -0.00 0.00 0.00 179.97 177.83 2yu0 h ASP 32 N -0.85 -1.17 0.31 0.08 3.32 -0.90 -1.24 116.42 115.97 2yu0 h ASP 32 Ca -0.08 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2yu0 h ASP 32 Cb 0.68 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2yu0 h ASP 32 CO 0.08 -0.59 0.00 0.18 -1.72 0.00 0.00 179.24 177.20 2yu0 n LEU 33 N -5.05 0.08 -3.46 1.55 4.77 0.17 -4.84 117.00 110.21 2yu0 n LEU 33 Ca -0.11 0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 2yu0 n LEU 33 Cb 0.40 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2yu0 n LEU 33 CO 0.24 -0.40 0.07 0.59 -1.33 0.00 0.00 177.39 176.56 2yu0 n ASN 34 N -1.60 -5.30 -4.72 -1.43 4.13 0.57 -4.94 115.26 101.98 2yu0 n ASN 34 Ca 0.02 -0.50 -0.31 0.00 1.68 0.00 0.00 54.58 55.47 2yu0 n ASN 34 Cb 0.11 -4.26 0.13 0.00 -1.54 0.00 0.00 39.78 34.22 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2yu0 s LEU 35 N -6.94 2.94 -0.72 3.41 1.43 0.62 -4.92 118.68 114.49 2yu0 s LEU 35 Ca 0.48 2.01 -0.27 0.00 -1.03 0.00 0.00 54.13 55.33 2yu0 s LEU 35 Cb -0.23 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.48 2yu0 s LEU 35 CO 0.60 -2.59 1.25 -1.61 0.23 0.00 0.00 176.35 174.23 2yu0 s GLU 36 N -4.77 3.21 0.62 1.70 2.02 -1.26 -4.85 118.70 115.36 2yu0 s GLU 36 Ca 0.64 -0.25 0.20 0.00 0.02 0.00 0.00 54.97 55.59 2yu0 s GLU 36 Cb -0.20 -4.17 0.78 0.00 0.10 0.00 0.00 34.13 30.64 2yu0 s GLU 36 CO 0.57 -2.10 1.32 0.07 0.02 0.00 0.00 175.26 175.14 2yu0 h ARG 37 N 9.97 0.00 0.03 1.61 -0.00 -1.95 1.06 114.38 125.10 2yu0 h ARG 37 Ca -0.28 0.00 -0.38 0.00 -0.00 0.00 0.00 59.98 59.33 2yu0 h ARG 37 Cb 1.05 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.97 2yu0 h ARG 37 CO 1.27 0.00 -2.30 -3.47 -0.00 0.00 0.00 179.97 175.47 2yu0 n ASP 38 N -3.09 1.70 -2.71 0.08 2.03 -1.26 -4.46 116.55 108.84 2yu0 n ASP 38 Ca 0.15 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.11 2yu0 n ASP 38 Cb 1.25 -0.33 0.03 0.00 -0.72 0.00 0.00 41.12 41.35 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2yu0 n ASN 39 N -3.24 6.63 0.07 1.67 5.15 0.34 -4.60 115.26 121.29 2yu0 n ASN 39 Ca -0.39 -3.80 0.02 0.00 -0.60 0.00 0.00 54.58 49.81 2yu0 n ASN 39 Cb 1.03 -0.86 -0.04 0.00 -0.53 0.00 0.00 39.78 39.38 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2yu0 h GLN 40 N 2.77 0.00 -0.05 1.20 4.20 -1.08 -3.36 115.11 118.79 2yu0 h GLN 40 Ca 0.49 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.15 2yu0 h GLN 40 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2yu0 h GLN 40 CO 1.25 0.34 -0.15 0.93 -0.67 0.00 0.00 178.83 180.53 2yu0 h GLU 41 N 0.00 0.19 -0.71 1.46 5.08 -1.86 -3.11 114.58 115.63 2yu0 h GLU 41 Ca -0.10 -0.14 0.20 0.00 -1.00 0.00 0.00 59.36 58.33 2yu0 h GLU 41 Cb 1.48 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 2yu0 h GLU 41 CO 0.05 0.77 0.90 -0.56 -1.00 0.00 0.00 179.01 179.17 2yu0 h GLN 42 N -0.36 0.00 -7.14 2.33 3.07 -1.92 -3.39 115.11 107.70 2yu0 h GLN 42 Ca -0.01 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.27 2yu0 h GLN 42 Cb 0.79 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.36 2yu0 h GLN 42 CO 0.03 0.00 0.37 0.71 0.09 0.00 0.00 178.83 180.03 2yu0 s TYR 43 N -4.45 3.26 0.15 0.06 2.02 -1.18 -5.08 117.35 112.14 2yu0 s TYR 43 Ca -0.03 1.53 0.06 0.00 -0.37 0.00 0.00 57.07 58.26 2yu0 s TYR 43 Cb 0.13 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 2yu0 s TYR 43 CO 0.45 -0.51 -0.13 0.95 -1.57 0.00 0.00 175.55 174.74 2yu0 s THR 44 N -2.38 1.44 0.57 -0.71 -4.23 -1.26 -5.00 115.64 104.06 2yu0 s THR 44 Ca 0.62 -1.96 0.43 0.00 -1.18 0.00 0.00 61.69 59.60 2yu0 s THR 44 Cb -0.12 -1.77 0.64 0.00 1.34 0.00 0.00 72.50 72.58 2yu0 s THR 44 CO 0.26 -0.54 1.56 0.71 -0.54 0.00 0.00 174.62 176.06 2yu0 h THR 45 N 3.05 0.07 0.02 3.99 1.35 -1.97 -0.80 112.91 118.62 2yu0 h THR 45 Ca -0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2yu0 h THR 45 Cb 1.20 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2yu0 h THR 45 CO 0.57 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 176.23 2yu0 h ILE 46 N 0.00 0.00 -0.84 6.82 1.08 -1.99 -1.68 117.51 120.90 2yu0 h ILE 46 Ca 0.78 -0.03 0.21 0.00 -0.39 0.00 0.00 64.86 65.43 2yu0 h ILE 46 Cb 3.33 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 36.94 2yu0 h ILE 46 CO -0.01 0.00 0.18 1.56 -0.69 0.00 0.00 178.15 179.19 2yu0 h GLN 47 N -0.06 0.19 -0.70 2.37 4.20 -1.62 0.42 115.11 119.92 2yu0 h GLN 47 Ca -0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2yu0 h GLN 47 Cb 0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2yu0 h GLN 47 CO 0.01 0.13 0.29 0.82 -0.67 0.00 0.00 178.83 179.40 2yu0 h ILE 48 N 0.20 1.24 0.91 2.54 1.08 -1.31 -2.60 117.51 119.56 2yu0 h ILE 48 Ca 0.51 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 2yu0 h ILE 48 Cb 0.98 0.39 0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2yu0 h ILE 48 CO -0.64 0.30 -0.44 0.00 -0.69 0.00 0.00 178.15 176.68 2yu0 h ALA 49 N 1.31 -1.26 -0.98 1.87 0.00 0.78 -2.26 119.26 118.73 2yu0 h ALA 49 Ca 0.24 -0.27 0.25 0.00 0.00 0.00 0.00 54.91 55.13 2yu0 h ALA 49 Cb 0.18 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 2yu0 h ALA 49 CO -0.02 -1.17 0.54 -0.91 0.00 0.00 0.00 179.25 177.69 2yu0 h ASN 50 N -1.29 0.57 -0.61 0.00 2.35 -1.27 0.52 115.58 115.85 2yu0 h ASN 50 Ca -0.12 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2yu0 h ASN 50 Cb 0.94 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 2yu0 h ASN 50 CO 0.20 0.05 0.30 0.24 -1.65 0.00 0.00 177.43 176.57 2yu0 h MET 51 N 0.50 0.90 0.00 0.81 2.86 -1.29 -2.31 114.93 116.40 2yu0 h MET 51 Ca 0.63 -0.12 -0.19 0.00 -2.06 0.00 0.00 59.70 57.97 2yu0 h MET 51 Cb 1.24 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2yu0 h MET 51 CO -0.51 0.69 -0.86 0.52 1.06 0.00 0.00 176.91 177.82 2yu0 h MET 52 N 0.89 0.08 -0.63 1.72 2.86 0.52 -1.47 114.93 118.91 2yu0 h MET 52 Ca 0.22 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2yu0 h MET 52 Cb 0.10 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2yu0 h MET 52 CO -0.03 0.89 0.42 0.93 1.06 0.00 0.00 176.91 180.18 2yu0 h GLU 53 N 0.04 0.71 0.11 1.72 5.08 -0.29 0.25 114.58 122.20 2yu0 h GLU 53 Ca -0.03 -0.04 -0.36 0.00 -1.00 0.00 0.00 59.36 57.93 2yu0 h GLU 53 Cb 1.50 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2yu0 h GLU 53 CO 0.12 0.47 -2.03 -0.85 -1.00 0.00 0.00 179.01 175.72 2yu0 n GLU 54 N -4.46 0.75 0.17 2.33 0.28 -1.12 -3.79 120.64 114.79 2yu0 n GLU 54 Ca 0.08 0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 57.19 2yu0 n GLU 54 Cb 0.15 -1.70 -0.08 0.00 1.43 0.00 0.00 31.44 31.24 2yu0 n GLU 54 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2yu0 h LYS 55 N 0.06 -0.38 -3.23 3.44 1.63 -1.06 -3.36 116.57 113.68 2yu0 h LYS 55 Ca -0.43 0.03 -0.64 0.00 -0.85 0.00 0.00 60.65 58.76 2yu0 h LYS 55 Cb 2.02 0.09 -0.41 0.00 -0.60 0.00 0.00 32.23 33.33 2yu0 h LYS 55 CO 0.07 -0.18 -0.55 -0.06 -3.45 0.00 0.00 179.45 175.29 2yu0 s PHE 56 N -5.66 3.46 -1.17 1.91 0.08 0.86 -4.91 117.98 112.54 2yu0 s PHE 56 Ca -0.15 -3.24 0.14 0.00 0.12 0.00 0.00 56.93 53.81 2yu0 s PHE 56 Cb 0.04 -2.81 0.66 0.00 -0.57 0.00 0.00 43.02 40.34 2yu0 s PHE 56 CO 0.62 -0.64 1.43 -0.35 -0.10 0.00 0.00 175.22 176.18 2yu0 n PRO 57 N 2.45 0.09 0.13 0.24 -0.04 -1.25 0.96 135.00 137.58 2yu0 n PRO 57 Ca 0.14 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2yu0 n PRO 57 Cb 0.34 -1.50 -0.08 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 2.57 -0.37 0.00 0.55 0.00 -1.91 -3.39 119.26 116.72 2yu0 h ALA 58 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2yu0 h ALA 58 Cb 0.20 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2yu0 h ALA 58 CO 0.00 -0.48 -0.53 -0.40 0.00 0.00 0.00 179.25 177.84 2yu0 n ASP 59 N -5.07 2.35 -1.68 0.00 5.68 -1.21 -5.01 116.55 111.61 2yu0 n ASP 59 Ca -0.09 -0.27 -0.14 0.00 -0.50 0.00 0.00 54.79 53.80 2yu0 n ASP 59 Cb 0.26 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.27 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2yu0 n SER 60 N -1.27 -4.24 0.00 -1.12 7.64 0.27 -2.65 113.62 112.25 2yu0 n SER 60 Ca 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2yu0 n SER 60 Cb 0.02 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 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 -1.09 3.03 0.34 0.23 0.00 -1.25 -4.31 105.19 102.14 2yu0 n GLY 61 Ca -0.13 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.14 0.03 0.99 7.94 -1.08 -0.74 117.00 124.00 2yu0 n LEU 62 Ca 0.00 1.66 -0.01 0.00 -1.11 0.00 0.00 56.01 56.55 2yu0 n LEU 62 Cb 0.00 -0.60 -0.01 0.00 0.53 0.00 0.00 43.42 43.35 2yu0 n LEU 62 CO 0.00 -1.68 0.35 1.23 -1.11 0.00 0.00 177.39 176.18 2yu0 h GLY 63 N 0.00 -0.09 -1.55 -3.96 0.00 -1.91 -0.88 103.07 94.69 2yu0 h GLY 63 Ca 0.58 0.03 0.50 0.00 0.00 0.00 0.00 47.33 48.44 2yu0 h GLY 63 CO -0.93 -0.03 1.04 1.17 0.00 0.00 0.00 176.54 177.79 2yu0 n LYS 64 N -2.30 -0.02 0.12 4.80 3.00 -0.84 -0.41 118.16 122.51 2yu0 n LYS 64 Ca -0.01 1.17 -0.06 0.00 -0.00 0.00 0.00 58.31 59.41 2yu0 n LYS 64 Cb 0.03 -2.43 -0.03 0.00 0.00 0.00 0.00 35.03 32.61 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 -0.33 -0.75 3.14 7.12 -0.89 -3.20 115.31 120.39 2yu0 h LEU 65 Ca 0.88 0.01 0.10 0.00 0.13 0.00 0.00 57.88 59.01 2yu0 h LEU 65 Cb 3.09 0.09 -0.11 0.00 -0.53 0.00 0.00 40.66 43.19 2yu0 h LEU 65 CO -0.31 0.10 -0.33 -0.38 -0.13 0.00 0.00 178.44 177.40 2yu0 n ILE 66 N -4.96 -0.42 -0.05 4.05 5.41 0.45 0.71 119.36 124.56 2yu0 n ILE 66 Ca -0.05 1.77 -0.08 0.00 1.00 0.00 0.00 62.75 65.39 2yu0 n ILE 66 Cb 0.16 -2.30 -0.02 0.00 -0.71 0.00 0.00 39.64 36.77 2yu0 n ILE 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2yu0 h GLU 67 N 0.00 -0.23 -1.20 0.38 5.08 -1.60 0.63 114.58 117.64 2yu0 h GLU 67 Ca 0.23 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.95 2yu0 h GLU 67 Cb 0.41 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 2yu0 h GLU 67 CO -0.73 -0.15 0.84 0.35 -1.00 0.00 0.00 179.01 178.31 2yu0 h PHE 68 N -0.24 0.23 -0.01 4.33 3.57 0.29 0.93 116.94 126.03 2yu0 h PHE 68 Ca 0.14 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.47 2yu0 h PHE 68 Cb 0.45 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2yu0 h PHE 68 CO -0.39 -0.00 -0.78 0.00 -2.23 0.00 0.00 178.31 174.91 2yu0 h GLU 70 N 0.09 -0.59 -1.00 0.00 5.08 0.13 -1.89 114.58 116.41 2yu0 h GLU 70 Ca -0.02 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.59 2yu0 h GLU 70 Cb 1.36 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 30.64 2yu0 h GLU 70 CO 0.11 -0.39 0.62 1.05 -1.00 0.00 0.00 179.01 179.40 2yu0 h GLU 71 N -0.61 0.62 -5.73 2.33 4.11 -1.59 -3.38 114.58 110.33 2yu0 h GLU 71 Ca -0.04 -0.04 -0.59 0.00 0.07 0.00 0.00 59.36 58.76 2yu0 h GLU 71 Cb 0.51 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 2yu0 h GLU 71 CO 0.02 0.41 0.26 0.08 0.07 0.00 0.00 179.01 179.86 2yu0 s VAL 72 N -5.75 4.94 -1.44 -1.06 1.01 -0.92 -4.93 120.40 112.25 2yu0 s VAL 72 Ca -0.11 1.36 0.15 0.00 0.00 0.00 0.00 61.98 63.39 2yu0 s VAL 72 Cb 0.25 -4.02 0.26 0.00 0.00 0.00 0.00 36.38 32.87 2yu0 s VAL 72 CO 0.80 0.04 1.40 -0.81 0.00 0.00 0.00 175.10 176.53 2yu0 n PRO 73 N 5.40 0.21 -0.00 2.72 -0.04 -1.26 -1.53 135.00 140.50 2yu0 n PRO 73 Ca 0.02 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.71 2yu0 n PRO 73 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.28 3.51 0.01 0.55 0.00 -1.26 -4.39 120.51 117.66 2yu0 n ALA 74 Ca 0.07 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.11 2yu0 n ALA 74 Cb 0.12 -0.66 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.81 0.02 -0.34 0.00 4.77 -0.85 -4.49 117.00 114.30 2yu0 n LEU 75 Ca -0.00 -0.01 0.21 0.00 -0.03 0.00 0.00 56.01 56.18 2yu0 n LEU 75 Cb 0.39 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.93 2yu0 n LEU 75 CO 0.38 0.00 1.15 0.03 -1.33 0.00 0.00 177.39 177.63 2yu0 h ARG 76 N 0.00 0.42 -0.46 3.23 3.08 -0.49 0.17 114.38 120.33 2yu0 h ARG 76 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.11 2yu0 h ARG 76 Cb 0.73 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.61 2yu0 h ARG 76 CO 0.00 0.28 -0.03 -0.22 -1.07 0.00 0.00 179.97 178.93 2yu0 h LYS 77 N 0.43 0.08 -0.15 0.04 1.63 -1.85 -1.79 116.57 114.97 2yu0 h LYS 77 Ca 0.69 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 60.27 2yu0 h LYS 77 Cb 1.50 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 33.12 2yu0 h LYS 77 CO -0.52 0.05 -0.74 0.00 -3.45 0.00 0.00 179.45 174.79 2yu0 h ARG 78 N 0.09 0.71 -0.10 1.90 2.47 -1.04 -3.20 114.38 115.21 2yu0 h ARG 78 Ca 0.23 -0.56 0.02 0.00 -1.26 0.00 0.00 59.98 58.40 2yu0 h ARG 78 Cb 0.34 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 2yu0 h ARG 78 CO -0.41 1.18 -0.28 0.00 0.56 0.00 0.00 179.97 181.02 2yu0 h ALA 79 N 0.66 -0.65 -0.75 0.04 0.00 -0.29 0.28 119.26 118.55 2yu0 h ALA 79 Ca -0.04 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.01 2yu0 h ALA 79 Cb 1.35 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 2yu0 h ALA 79 CO 0.15 -0.76 0.22 1.05 0.00 0.00 0.00 179.25 179.91 2yu0 h GLU 80 N -0.28 0.31 -0.90 0.00 4.11 -1.49 0.91 114.58 117.23 2yu0 h GLU 80 Ca 0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.46 2yu0 h GLU 80 Cb 0.34 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2yu0 h GLU 80 CO -0.24 0.20 0.59 0.82 0.07 0.00 0.00 179.01 180.45 2yu0 h ILE 81 N 0.32 1.18 -0.59 -1.06 2.04 -1.29 -1.89 117.51 116.22 2yu0 h ILE 81 Ca 0.43 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 2yu0 h ILE 81 Cb 0.72 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2yu0 h ILE 81 CO -0.49 0.21 0.20 -0.07 0.00 0.00 0.00 178.15 178.01 2yu0 h LEU 82 N 1.17 0.84 -0.11 1.44 3.38 0.19 -3.03 115.31 119.19 2yu0 h LEU 82 Ca 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2yu0 h LEU 82 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2yu0 h LEU 82 CO -0.10 0.81 0.07 0.11 0.09 0.00 0.00 178.44 179.41 2yu0 h LYS 83 N 0.82 0.13 -0.98 1.13 1.57 -0.72 -2.32 116.57 116.20 2yu0 h LYS 83 Ca 0.19 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.16 2yu0 h LYS 83 Cb 0.25 -0.03 -0.18 0.00 0.08 0.00 0.00 32.23 32.35 2yu0 h LYS 83 CO -0.01 0.09 -0.26 1.17 -0.57 0.00 0.00 179.45 179.87 2yu0 n LYS 84 N -5.02 -0.11 0.15 3.15 4.81 -0.76 -0.87 118.16 119.51 2yu0 n LYS 84 Ca -0.05 1.53 -0.13 0.00 -0.87 0.00 0.00 58.31 58.79 2yu0 n LYS 84 Cb 0.03 -2.28 -0.08 0.00 0.02 0.00 0.00 35.03 32.72 2yu0 n LYS 84 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2yu0 h GLU 85 N 0.00 -0.40 -0.91 1.64 5.08 -1.54 -3.22 114.58 115.22 2yu0 h GLU 85 Ca 0.46 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.03 2yu0 h GLU 85 Cb 0.70 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.87 2yu0 h GLU 85 CO -1.01 -0.08 -0.22 -2.13 -1.00 0.00 0.00 179.01 174.58 2yu0 n ARG 86 N -5.12 -0.08 -4.04 2.33 0.63 -0.05 -3.90 116.66 106.43 2yu0 n ARG 86 Ca -0.09 1.42 -0.34 0.00 -0.92 0.00 0.00 57.85 57.92 2yu0 n ARG 86 Cb 0.27 -2.13 -0.15 0.00 0.45 0.00 0.00 32.46 30.89 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 -5.23 3.62 -0.52 6.15 0.15 -0.48 -5.05 113.70 112.34 2yu0 s SER 87 Ca -0.14 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 55.95 2yu0 s SER 87 Cb 0.25 -1.58 0.17 0.00 -1.71 0.00 0.00 66.02 63.15 2yu0 s SER 87 CO 0.71 -0.02 0.39 -1.61 1.20 0.00 0.00 173.24 173.92 2yu0 s GLU 88 N 1.35 1.48 -1.46 5.44 2.02 -1.25 -4.65 118.70 121.62 2yu0 s GLU 88 Ca 0.04 -2.56 -0.08 0.00 0.02 0.00 0.00 54.97 52.40 2yu0 s GLU 88 Cb -0.14 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 31.95 2yu0 s GLU 88 CO -0.09 -1.35 0.14 0.45 0.02 0.00 0.00 175.26 174.44 2yu0 n SER 89 N 2.54 -0.13 -4.78 -0.19 2.88 -1.26 -4.86 113.62 107.82 2yu0 n SER 89 Ca 0.26 -1.28 -0.37 0.00 -1.33 0.00 0.00 58.87 56.16 2yu0 n SER 89 Cb 0.43 -1.57 -0.02 0.00 -0.75 0.00 0.00 64.21 62.30 2yu0 n SER 89 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yu0 s GLY 90 N -4.20 2.75 -0.02 0.46 0.00 -1.26 -4.98 107.32 100.07 2yu0 s GLY 90 Ca 0.11 0.83 -0.26 0.00 0.00 0.00 0.00 44.72 45.40 2yu0 s GLY 90 CO 0.99 1.27 1.26 -0.56 0.00 0.00 0.00 173.10 176.05 2yu0 h PRO 91 N 2.23 -0.01 -7.19 2.90 0.13 -2.06 -3.45 132.00 124.55 2yu0 h PRO 91 Ca -0.49 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.14 2yu0 h PRO 91 Cb 1.23 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.45 2yu0 h PRO 91 CO 0.61 0.48 0.38 0.45 -0.23 0.00 0.00 178.00 179.69 2yu0 s SER 92 N -5.69 5.43 0.64 1.44 0.15 -1.26 -5.03 113.70 109.38 2yu0 s SER 92 Ca -0.16 1.92 -0.12 0.00 0.70 0.00 0.00 55.95 58.30 2yu0 s SER 92 Cb 0.02 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2yu0 s SER 92 CO 0.67 -1.41 1.04 -0.94 1.20 0.00 0.00 173.24 173.80 2yu0 s SER 93 N -2.65 5.93 0.00 5.45 1.04 -1.26 -5.15 113.70 117.06 2yu0 s SER 93 Ca 0.66 1.52 0.26 0.00 0.48 0.00 0.00 55.95 58.87 2yu0 s SER 93 Cb -0.19 -2.49 1.54 0.00 0.10 0.00 0.00 66.02 64.99 2yu0 s SER 93 CO 0.39 -1.07 1.90 0.61 0.98 0.00 0.00 173.24 176.04