#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 6.50 0.22 1.61 1.04 -1.26 -5.03 113.70 116.78 2yu0 s SER 2 Ca 0.00 1.41 -0.30 0.00 0.48 0.00 0.00 55.95 57.54 2yu0 s SER 2 Cb 0.00 -2.45 -0.08 0.00 0.10 0.00 0.00 66.02 63.59 2yu0 s SER 2 CO 0.00 -0.61 1.15 -0.55 0.98 0.00 0.00 173.24 174.21 2yu0 s SER 3 N -3.39 7.16 0.00 7.02 0.15 -1.26 -5.01 113.70 118.38 2yu0 s SER 3 Ca 0.56 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.44 2yu0 s SER 3 Cb -0.10 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2yu0 s SER 3 CO 0.37 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2yu0 n GLY 4 N 1.82 0.69 3.43 9.45 0.00 -1.26 -5.16 105.19 114.16 2yu0 n GLY 4 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2yu0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu0 s SER 5 N 0.00 -0.54 -0.18 1.61 1.04 -1.26 -5.04 113.70 109.33 2yu0 s SER 5 Ca 0.00 0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2yu0 s SER 5 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2yu0 s SER 5 CO 0.00 -0.83 2.36 -1.20 0.98 0.00 0.00 173.24 174.55 2yu0 n SER 6 N 0.07 5.92 -4.36 7.02 7.64 -1.26 -4.80 113.62 123.85 2yu0 n SER 6 Ca -0.18 -2.78 -0.46 0.00 1.01 0.00 0.00 58.87 56.46 2yu0 n SER 6 Cb 0.62 -1.16 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 2yu0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu0 s GLY 7 N 1.07 2.39 -0.09 0.23 0.00 -1.26 -5.01 107.32 104.65 2yu0 s GLY 7 Ca 0.30 -3.07 0.02 0.00 0.00 0.00 0.00 44.72 41.97 2yu0 s GLY 7 CO -0.03 1.47 -0.15 -0.42 0.00 0.00 0.00 173.10 173.97 2yu0 s ILE 8 N 1.05 1.43 0.08 0.90 1.01 -1.26 -5.10 121.20 119.32 2yu0 s ILE 8 Ca 0.21 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2yu0 s ILE 8 Cb -0.11 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 2yu0 s ILE 8 CO -0.08 0.42 -0.20 -0.69 0.00 0.00 0.00 174.94 174.40 2yu0 s VAL 9 N 0.78 1.61 0.62 2.92 1.01 -1.26 -5.01 120.40 121.07 2yu0 s VAL 9 Ca -0.11 -1.40 0.31 0.00 0.00 0.00 0.00 61.98 60.77 2yu0 s VAL 9 Cb -0.16 -1.46 0.36 0.00 0.00 0.00 0.00 36.38 35.12 2yu0 s VAL 9 CO 0.02 -0.00 2.04 0.25 0.00 0.00 0.00 175.10 177.40 2yu0 h LEU 10 N 4.34 0.00 0.17 3.92 5.85 -2.00 0.35 115.31 127.94 2yu0 h LEU 10 Ca -0.44 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 57.96 2yu0 h LEU 10 Cb 1.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 2yu0 h LEU 10 CO 0.41 0.00 -1.46 0.25 -0.34 0.00 0.00 178.44 177.30 2yu0 h LEU 11 N 0.00 0.56 -0.93 2.25 7.12 -1.94 -3.29 115.31 119.08 2yu0 h LEU 11 Ca 0.08 -0.67 0.15 0.00 0.13 0.00 0.00 57.88 57.56 2yu0 h LEU 11 Cb 0.62 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2yu0 h LEU 11 CO -0.00 1.54 0.95 0.03 -0.13 0.00 0.00 178.44 180.83 2yu0 h ARG 12 N 0.10 0.00 -1.52 1.25 3.08 -1.32 -0.22 114.38 115.75 2yu0 h ARG 12 Ca -0.23 0.00 0.44 0.00 0.07 0.00 0.00 59.98 60.26 2yu0 h ARG 12 Cb 2.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.05 2yu0 h ARG 12 CO 0.21 0.00 1.14 0.78 -1.07 0.00 0.00 179.97 181.03 2yu0 h GLY 13 N 0.00 0.00 0.42 0.04 0.00 -1.66 0.39 103.07 102.26 2yu0 h GLY 13 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.21 2yu0 h GLY 13 CO -0.00 0.00 -2.14 1.04 0.00 0.00 0.00 176.54 175.44 2yu0 n LEU 14 N -3.97 2.00 0.31 3.11 4.77 -0.09 -4.11 117.00 119.01 2yu0 n LEU 14 Ca 0.34 0.12 0.19 0.00 -0.03 0.00 0.00 56.01 56.63 2yu0 n LEU 14 Cb 1.61 -0.57 1.01 0.00 -2.33 0.00 0.00 43.42 43.15 2yu0 n LEU 14 CO 0.41 0.74 1.16 -0.33 -1.33 0.00 0.00 177.39 178.03 2yu0 h GLU 15 N 0.03 0.00 0.00 3.23 5.08 -0.39 -0.05 114.58 122.47 2yu0 h GLU 15 Ca -0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2yu0 h GLU 15 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 2yu0 h GLU 15 CO 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.04 2yu0 s ILE 17 N -4.27 2.48 0.36 0.00 -4.36 -0.03 -5.10 121.20 110.27 2yu0 s ILE 17 Ca -0.05 -2.33 0.07 0.00 -0.26 0.00 0.00 60.65 58.08 2yu0 s ILE 17 Cb 0.13 -2.28 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 2yu0 s ILE 17 CO 0.45 -0.35 0.37 0.21 0.24 0.00 0.00 174.94 175.86 2yu0 s ASN 18 N -3.37 5.40 0.29 4.36 3.84 -1.26 -4.85 114.94 119.35 2yu0 s ASN 18 Ca 0.28 -0.48 0.13 0.00 0.21 0.00 0.00 52.86 53.00 2yu0 s ASN 18 Cb -0.06 -0.91 0.97 0.00 -0.55 0.00 0.00 41.25 40.70 2yu0 s ASN 18 CO 0.14 -0.46 1.26 1.17 -2.79 0.00 0.00 177.10 176.42 2yu0 n LYS 19 N -1.50 -0.05 0.00 0.43 0.00 -1.26 -0.64 118.16 115.13 2yu0 n LYS 19 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 58.31 59.44 2yu0 n LYS 19 Cb 0.60 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.66 2yu0 n LYS 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2yu0 n HIS 20 N -4.89 0.00 -0.14 5.64 -0.00 -1.26 -0.23 115.22 114.34 2yu0 n HIS 20 Ca 0.28 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.43 2yu0 n HIS 20 Cb 0.93 -0.27 0.20 0.00 -0.12 0.00 0.00 29.99 30.74 2yu0 n HIS 20 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2yu0 h TYR 21 N 0.00 0.86 -0.84 1.57 0.05 -1.59 -2.71 116.97 114.31 2yu0 h TYR 21 Ca 0.00 -0.06 0.17 0.00 0.05 0.00 0.00 58.73 58.89 2yu0 h TYR 21 Cb 0.00 -0.26 -0.11 0.00 1.01 0.00 0.00 36.73 37.37 2yu0 h TYR 21 CO -0.34 0.69 0.38 0.35 -1.05 0.00 0.00 178.16 178.19 2yu0 h PHE 22 N 0.83 0.65 -0.85 4.88 3.57 -0.43 0.21 116.94 125.80 2yu0 h PHE 22 Ca 0.19 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.91 2yu0 h PHE 22 Cb 0.23 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2yu0 h PHE 22 CO 0.01 0.06 0.57 1.03 -2.23 0.00 0.00 178.31 177.75 2yu0 h SER 23 N 0.49 0.42 -0.11 0.41 0.87 -0.26 0.14 113.55 115.51 2yu0 h SER 23 Ca 0.49 0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.88 2yu0 h SER 23 Cb 0.80 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2yu0 h SER 23 CO -0.44 0.19 -0.72 -0.07 -0.53 0.00 0.00 176.83 175.26 2yu0 h LEU 24 N 0.43 0.82 -0.45 2.23 4.07 -0.72 -2.97 115.31 118.73 2yu0 h LEU 24 Ca 0.44 -0.65 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 2yu0 h LEU 24 Cb 1.03 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 2yu0 h LEU 24 CO -0.16 1.35 0.21 0.15 -1.08 0.00 0.00 178.44 178.91 2yu0 h PHE 25 N 0.36 0.66 0.00 1.13 3.57 -0.62 -2.26 116.94 119.78 2yu0 h PHE 25 Ca -0.06 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2yu0 h PHE 25 Cb 1.36 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 2yu0 h PHE 25 CO 0.10 0.54 -0.08 0.87 -2.23 0.00 0.00 178.31 177.51 2yu0 h LYS 26 N 0.59 0.00 -0.32 1.11 1.57 -1.11 -1.96 116.57 116.46 2yu0 h LYS 26 Ca 0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2yu0 h LYS 26 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2yu0 h LYS 26 CO -0.02 0.08 -0.01 1.03 -0.57 0.00 0.00 179.45 179.95 2yu0 h SER 27 N 0.00 0.56 0.42 0.86 0.87 -1.24 1.31 113.55 116.33 2yu0 h SER 27 Ca -0.00 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 2yu0 h SER 27 Cb 0.14 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2yu0 h SER 27 CO 0.01 0.74 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.52 2yu0 h LEU 28 N 0.36 0.06 0.00 2.23 3.38 -1.21 -2.92 115.31 117.21 2yu0 h LEU 28 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2yu0 h LEU 28 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2yu0 h LEU 28 CO 0.02 0.52 -1.09 0.18 0.09 0.00 0.00 178.44 178.16 2yu0 n LEU 29 N -3.98 0.86 -0.30 1.67 7.99 -0.78 -4.29 117.00 118.16 2yu0 n LEU 29 Ca -0.02 0.34 0.04 0.00 -0.01 0.00 0.00 56.01 56.37 2yu0 n LEU 29 Cb 0.49 -0.03 0.11 0.00 -0.11 0.00 0.00 43.42 43.88 2yu0 n LEU 29 CO 0.41 -0.12 0.54 0.00 -1.51 0.00 0.00 177.39 176.71 2yu0 n ALA 30 N -2.23 0.17 0.29 -1.18 0.00 0.45 0.69 120.51 118.70 2yu0 n ALA 30 Ca -0.02 0.91 -0.17 0.00 0.00 0.00 0.00 53.44 54.16 2yu0 n ALA 30 Cb 0.61 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.77 0.67 0.00 -0.00 -1.75 1.95 114.38 114.48 2yu0 h ARG 31 Ca 0.39 0.05 -0.03 0.00 -0.00 0.00 0.00 59.98 60.39 2yu0 h ARG 31 Cb 0.60 0.18 0.01 0.00 -0.00 0.00 0.00 29.97 30.75 2yu0 h ARG 31 CO -0.85 -0.51 -0.32 -0.44 -0.00 0.00 0.00 179.97 177.84 2yu0 h ASP 32 N -0.80 -0.76 0.15 0.08 5.19 -0.64 -2.51 116.42 117.12 2yu0 h ASP 32 Ca -0.06 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2yu0 h ASP 32 Cb 0.66 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2yu0 h ASP 32 CO 0.05 -0.53 0.00 0.18 -3.12 0.00 0.00 179.24 175.82 2yu0 n LEU 33 N -4.52 0.00 -3.99 1.55 4.77 0.22 -4.84 117.00 110.18 2yu0 n LEU 33 Ca -0.11 0.17 -0.31 0.00 -0.03 0.00 0.00 56.01 55.73 2yu0 n LEU 33 Cb 0.36 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2yu0 n LEU 33 CO 0.27 -0.09 0.05 -3.20 -1.33 0.00 0.00 177.39 173.08 2yu0 n ASN 34 N -1.17 -3.98 -4.65 -1.43 2.85 0.62 -4.92 115.26 102.58 2yu0 n ASN 34 Ca 0.08 -0.85 -0.30 0.00 -0.11 0.00 0.00 54.58 53.40 2yu0 n ASN 34 Cb 0.08 -3.56 0.17 0.00 1.24 0.00 0.00 39.78 37.72 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yu0 s LEU 35 N -7.23 2.22 -0.67 1.20 1.43 0.10 -4.95 118.68 110.78 2yu0 s LEU 35 Ca 0.61 1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 55.33 2yu0 s LEU 35 Cb -0.32 -4.12 0.10 0.00 0.03 0.00 0.00 46.19 41.89 2yu0 s LEU 35 CO 0.86 -3.15 0.85 -1.61 0.23 0.00 0.00 176.35 173.53 2yu0 s GLU 36 N -4.70 3.17 0.35 1.70 8.01 -1.26 -4.86 118.70 121.10 2yu0 s GLU 36 Ca 0.66 -1.28 0.27 0.00 0.01 0.00 0.00 54.97 54.63 2yu0 s GLU 36 Cb -0.21 -4.35 1.16 0.00 -4.31 0.00 0.00 34.13 26.41 2yu0 s GLU 36 CO 0.59 -1.65 1.18 2.89 0.01 0.00 0.00 175.26 178.28 2yu0 n ARG 37 N 6.70 -0.02 -0.01 1.61 0.00 -1.26 0.17 116.66 123.84 2yu0 n ARG 37 Ca -0.02 0.93 -0.22 0.00 -0.00 0.00 0.00 57.85 58.54 2yu0 n ARG 37 Cb 0.44 -1.88 -0.13 0.00 -0.00 0.00 0.00 32.46 30.89 2yu0 n ARG 37 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2yu0 h ASP 38 N 0.00 0.34 -0.91 2.89 1.82 -2.03 -3.37 116.42 115.15 2yu0 h ASP 38 Ca 0.68 -0.84 -0.60 0.00 -0.39 0.00 0.00 57.03 55.87 2yu0 h ASP 38 Cb 2.28 -0.11 -0.25 0.00 0.68 0.00 0.00 39.33 41.93 2yu0 h ASP 38 CO -0.29 1.74 0.77 0.59 -1.61 0.00 0.00 179.24 180.44 2yu0 n ASN 39 N -3.76 7.41 0.04 2.28 4.13 0.45 -4.38 115.26 121.43 2yu0 n ASN 39 Ca -0.30 -3.62 -0.02 0.00 1.68 0.00 0.00 54.58 52.32 2yu0 n ASN 39 Cb 0.95 -1.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.11 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2yu0 h GLN 40 N 1.92 0.00 -0.03 3.52 4.20 -0.04 -3.36 115.11 121.31 2yu0 h GLN 40 Ca 0.53 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 59.06 2yu0 h GLN 40 Cb 0.81 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.60 2yu0 h GLN 40 CO 1.39 0.44 -0.68 0.93 -0.67 0.00 0.00 178.83 180.24 2yu0 h GLU 41 N 0.00 0.52 -0.07 1.46 5.08 -1.85 -3.13 114.58 116.59 2yu0 h GLU 41 Ca -0.14 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2yu0 h GLU 41 Cb 1.65 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 2yu0 h GLU 41 CO 0.06 1.15 0.49 -0.56 -1.00 0.00 0.00 179.01 179.15 2yu0 h GLN 42 N 0.08 0.00 -7.51 2.33 3.07 -1.88 -3.41 115.11 107.80 2yu0 h GLN 42 Ca -0.08 0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.19 2yu0 h GLN 42 Cb 1.36 0.00 0.10 0.00 0.08 0.00 0.00 27.48 29.02 2yu0 h GLN 42 CO 0.13 0.00 0.37 0.71 0.09 0.00 0.00 178.83 180.14 2yu0 s TYR 43 N -4.14 2.93 0.12 0.06 2.02 -1.19 -5.10 117.35 112.06 2yu0 s TYR 43 Ca -0.03 0.94 -0.07 0.00 -0.37 0.00 0.00 57.07 57.54 2yu0 s TYR 43 Cb 0.08 -3.28 -0.02 0.00 -0.40 0.00 0.00 41.96 38.34 2yu0 s TYR 43 CO 0.25 -1.75 0.18 0.95 -1.57 0.00 0.00 175.55 173.62 2yu0 s THR 44 N -3.37 0.11 0.58 -0.71 -4.23 -1.26 -5.01 115.64 101.76 2yu0 s THR 44 Ca 0.61 -1.46 0.33 0.00 -1.18 0.00 0.00 61.69 59.99 2yu0 s THR 44 Cb -0.13 -1.68 0.48 0.00 1.34 0.00 0.00 72.50 72.51 2yu0 s THR 44 CO 0.52 -0.51 1.61 0.71 -0.54 0.00 0.00 174.62 176.40 2yu0 h THR 45 N 2.73 0.18 0.02 3.99 1.35 -1.98 -0.78 112.91 118.42 2yu0 h THR 45 Ca -0.33 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2yu0 h THR 45 Cb 1.20 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2yu0 h THR 45 CO 0.55 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 176.21 2yu0 h ILE 46 N 0.00 0.00 -0.88 6.82 1.08 -1.98 -1.72 117.51 120.83 2yu0 h ILE 46 Ca 0.50 -0.06 0.24 0.00 -0.39 0.00 0.00 64.86 65.16 2yu0 h ILE 46 Cb 2.46 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 36.07 2yu0 h ILE 46 CO -0.01 0.00 0.22 1.56 -0.69 0.00 0.00 178.15 179.24 2yu0 h GLN 47 N -0.08 0.19 -0.57 2.37 4.20 -1.75 0.34 115.11 119.80 2yu0 h GLN 47 Ca -0.00 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2yu0 h GLN 47 Cb 0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2yu0 h GLN 47 CO 0.00 0.12 0.05 0.82 -0.67 0.00 0.00 178.83 179.16 2yu0 h ILE 48 N 0.19 1.26 0.25 2.54 1.08 -1.30 -2.90 117.51 118.63 2yu0 h ILE 48 Ca 0.56 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2yu0 h ILE 48 Cb 1.13 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.67 2yu0 h ILE 48 CO -0.67 0.38 -0.45 0.00 -0.69 0.00 0.00 178.15 176.72 2yu0 h ALA 49 N 0.98 -1.01 -0.38 1.87 0.00 0.63 -2.27 119.26 119.08 2yu0 h ALA 49 Ca 0.17 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2yu0 h ALA 49 Cb 0.48 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2yu0 h ALA 49 CO 0.02 -1.09 -0.32 -0.91 0.00 0.00 0.00 179.25 176.96 2yu0 h ASN 50 N -0.75 -1.06 -0.96 0.00 2.35 -1.43 0.12 115.58 113.86 2yu0 h ASN 50 Ca -0.03 0.19 0.30 0.00 -0.55 0.00 0.00 56.30 56.21 2yu0 h ASN 50 Cb 0.70 0.49 -0.15 0.00 0.05 0.00 0.00 38.32 39.41 2yu0 h ASN 50 CO -0.16 -0.32 0.40 0.24 -1.65 0.00 0.00 177.43 175.94 2yu0 h MET 51 N -0.26 0.21 0.03 0.81 2.86 -1.29 -0.10 114.93 117.19 2yu0 h MET 51 Ca 0.17 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2yu0 h MET 51 Cb 0.53 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2yu0 h MET 51 CO -0.52 0.14 -0.01 0.52 1.06 0.00 0.00 176.91 178.10 2yu0 h MET 52 N 0.22 -0.04 -0.93 1.72 2.86 -0.35 -1.47 114.93 116.94 2yu0 h MET 52 Ca 0.67 0.00 0.31 0.00 -2.06 0.00 0.00 59.70 58.62 2yu0 h MET 52 Cb 1.50 0.01 -0.17 0.00 0.06 0.00 0.00 31.60 33.00 2yu0 h MET 52 CO -0.67 0.62 0.21 0.39 1.06 0.00 0.00 176.91 178.52 2yu0 n GLU 53 N -4.78 -0.07 -0.07 1.72 1.02 0.21 0.12 120.64 118.79 2yu0 n GLU 53 Ca -0.09 1.35 -0.11 0.00 -0.02 0.00 0.00 57.16 58.30 2yu0 n GLU 53 Cb 0.33 -2.25 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 2yu0 n GLU 53 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2yu0 h GLU 54 N 0.00 0.00 0.28 3.49 4.11 -1.48 -3.26 114.58 117.73 2yu0 h GLU 54 Ca 0.65 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 60.08 2yu0 h GLU 54 Cb 1.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2yu0 h GLU 54 CO -0.81 0.62 -0.37 -0.22 0.07 0.00 0.00 179.01 178.29 2yu0 h LYS 55 N -1.00 -0.65 -3.46 1.06 1.63 -0.00 -3.31 116.57 110.84 2yu0 h LYS 55 Ca -0.06 0.04 -0.73 0.00 -0.85 0.00 0.00 60.65 59.05 2yu0 h LYS 55 Cb 0.73 0.15 -0.33 0.00 -0.60 0.00 0.00 32.23 32.18 2yu0 h LYS 55 CO -0.04 -0.43 0.02 -0.06 -3.45 0.00 0.00 179.45 175.48 2yu0 s PHE 56 N -5.03 3.91 -1.22 1.91 0.08 0.33 -4.87 117.98 113.09 2yu0 s PHE 56 Ca -0.13 -2.81 0.14 0.00 0.12 0.00 0.00 56.93 54.26 2yu0 s PHE 56 Cb 0.03 -3.43 0.68 0.00 -0.57 0.00 0.00 43.02 39.73 2yu0 s PHE 56 CO 0.43 -0.82 1.43 -0.35 -0.10 0.00 0.00 175.22 175.81 2yu0 n PRO 57 N 2.72 0.11 0.38 0.24 -0.04 -1.23 0.14 135.00 137.32 2yu0 n PRO 57 Ca 0.19 0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.69 2yu0 n PRO 57 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.60 -0.98 0.00 0.55 0.00 -1.89 -3.38 119.26 116.15 2yu0 h ALA 58 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2yu0 h ALA 58 Cb 0.19 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2yu0 h ALA 58 CO 0.00 -0.95 0.00 -0.25 0.00 0.00 0.00 179.25 178.05 2yu0 n ASP 59 N -5.45 0.86 -2.12 0.00 8.00 -1.22 -4.99 116.55 111.63 2yu0 n ASP 59 Ca -0.13 -1.09 -0.18 0.00 0.71 0.00 0.00 54.79 54.10 2yu0 n ASP 59 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.04 -5.18 0.00 -2.24 7.64 0.12 -1.14 113.62 112.78 2yu0 n SER 60 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2yu0 n SER 60 Cb 0.09 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 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 -0.75 2.44 0.33 0.23 0.00 -1.25 -4.09 105.19 102.10 2yu0 n GLY 61 Ca -0.21 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.74 2yu0 n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yu0 h LEU 62 N 0.00 -0.25 0.11 0.99 5.85 -1.36 0.36 115.31 121.00 2yu0 h LEU 62 Ca 0.00 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2yu0 h LEU 62 Cb 0.00 0.41 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2yu0 h LEU 62 CO 0.00 -0.35 -0.05 1.23 -0.34 0.00 0.00 178.44 178.93 2yu0 h GLY 63 N 0.03 -0.15 -1.60 3.75 0.00 -1.92 -2.35 103.07 100.83 2yu0 h GLY 63 Ca 0.64 0.06 0.50 0.00 0.00 0.00 0.00 47.33 48.53 2yu0 h GLY 63 CO -0.86 -0.05 1.11 1.17 0.00 0.00 0.00 176.54 177.90 2yu0 n LYS 64 N -2.75 -0.02 0.11 4.80 3.00 -0.91 0.06 118.16 122.45 2yu0 n LYS 64 Ca -0.02 1.11 -0.08 0.00 -0.00 0.00 0.00 58.31 59.32 2yu0 n LYS 64 Cb 0.06 -2.36 -0.05 0.00 0.00 0.00 0.00 35.03 32.68 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 -0.30 -0.70 3.14 7.12 -0.97 -3.26 115.31 120.34 2yu0 h LEU 65 Ca 0.87 -0.13 0.12 0.00 0.13 0.00 0.00 57.88 58.87 2yu0 h LEU 65 Cb 3.16 0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 43.24 2yu0 h LEU 65 CO -0.22 0.19 -0.23 -0.38 -0.13 0.00 0.00 178.44 177.67 2yu0 n ILE 66 N -5.01 -0.33 -0.01 4.05 5.41 0.11 0.12 119.36 123.69 2yu0 n ILE 66 Ca -0.06 1.61 -0.09 0.00 1.00 0.00 0.00 62.75 65.21 2yu0 n ILE 66 Cb 0.21 -2.18 -0.03 0.00 -0.71 0.00 0.00 39.64 36.93 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 -0.22 -0.98 0.38 4.39 -1.62 -1.32 114.58 115.20 2yu0 h GLU 67 Ca 0.29 0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.30 2yu0 h GLU 67 Cb 0.46 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.02 2yu0 h GLU 67 CO -0.70 -0.15 0.52 0.35 -1.16 0.00 0.00 179.01 177.87 2yu0 h PHE 68 N -0.23 0.86 -0.57 4.33 3.57 0.84 0.46 116.94 126.19 2yu0 h PHE 68 Ca 0.10 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2yu0 h PHE 68 Cb 0.38 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2yu0 h PHE 68 CO -0.31 -0.15 0.10 0.00 -2.23 0.00 0.00 178.31 175.73 2yu0 h GLU 70 N 0.83 -0.02 -0.54 0.00 5.08 0.30 0.16 114.58 120.39 2yu0 h GLU 70 Ca 0.17 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2yu0 h GLU 70 Cb 0.40 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2yu0 h GLU 70 CO 0.01 -0.01 0.15 0.93 -1.00 0.00 0.00 179.01 179.09 2yu0 h GLU 71 N -0.02 0.30 -5.94 2.33 4.39 -1.45 -3.39 114.58 110.79 2yu0 h GLU 71 Ca 0.35 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 59.45 2yu0 h GLU 71 Cb 0.55 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 2yu0 h GLU 71 CO -0.77 0.20 0.51 0.08 -1.16 0.00 0.00 179.01 177.87 2yu0 s VAL 72 N -6.12 4.82 0.20 3.13 1.01 0.54 -4.93 120.40 119.05 2yu0 s VAL 72 Ca -0.13 1.72 0.26 0.00 0.00 0.00 0.00 61.98 63.82 2yu0 s VAL 72 Cb 0.16 -4.18 0.26 0.00 0.00 0.00 0.00 36.38 32.62 2yu0 s VAL 72 CO 0.73 -0.05 1.89 1.55 0.00 0.00 0.00 175.10 179.23 2yu0 h PRO 73 N 7.45 0.00 0.00 2.72 0.13 -1.76 -0.70 132.00 139.83 2yu0 h PRO 73 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 2yu0 h PRO 73 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2yu0 h PRO 73 CO 0.88 0.19 -0.33 0.00 -0.23 0.00 0.00 178.00 178.50 2yu0 h ALA 74 N 1.81 0.83 0.00 -0.56 0.00 -1.91 -3.31 119.26 116.12 2yu0 h ALA 74 Ca -0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 2yu0 h ALA 74 Cb 0.64 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2yu0 h ALA 74 CO 0.02 0.21 -2.07 1.28 0.00 0.00 0.00 179.25 178.69 2yu0 n LEU 75 N -3.07 0.39 -0.45 0.00 4.77 -1.03 -4.29 117.00 113.32 2yu0 n LEU 75 Ca 0.02 0.19 0.38 0.00 -0.03 0.00 0.00 56.01 56.57 2yu0 n LEU 75 Cb 0.60 0.34 0.64 0.00 -2.33 0.00 0.00 43.42 42.67 2yu0 n LEU 75 CO 0.37 0.44 1.15 0.54 -1.33 0.00 0.00 177.39 178.55 2yu0 n ARG 76 N -2.87 -0.03 -0.16 3.23 1.74 -0.30 0.95 116.66 119.22 2yu0 n ARG 76 Ca -0.25 1.15 -0.02 0.00 -0.77 0.00 0.00 57.85 57.95 2yu0 n ARG 76 Cb 1.10 -2.29 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 2yu0 n ARG 76 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2yu0 h LYS 77 N 0.00 0.08 -0.21 5.56 3.64 -1.77 -1.86 116.57 122.00 2yu0 h LYS 77 Ca 0.82 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 60.02 2yu0 h LYS 77 Cb 2.68 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 34.49 2yu0 h LYS 77 CO -0.40 0.05 -0.56 0.00 -2.27 0.00 0.00 179.45 176.27 2yu0 h ARG 78 N 0.08 0.75 -0.22 1.90 2.47 0.29 -3.23 114.38 116.42 2yu0 h ARG 78 Ca 0.25 -0.52 0.02 0.00 -1.26 0.00 0.00 59.98 58.47 2yu0 h ARG 78 Cb 0.38 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 2yu0 h ARG 78 CO -0.44 1.15 -0.19 0.00 0.56 0.00 0.00 179.97 181.04 2yu0 h ALA 79 N 0.60 -0.35 -0.95 0.04 0.00 -0.93 0.29 119.26 117.95 2yu0 h ALA 79 Ca -0.01 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.14 2yu0 h ALA 79 Cb 1.17 0.96 -0.12 0.00 0.00 0.00 0.00 17.79 19.80 2yu0 h ALA 79 CO 0.12 -0.46 0.51 1.05 0.00 0.00 0.00 179.25 180.47 2yu0 h GLU 80 N -0.08 0.52 -0.71 0.00 4.11 -1.56 0.15 114.58 117.01 2yu0 h GLU 80 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2yu0 h GLU 80 Cb 0.18 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2yu0 h GLU 80 CO -0.25 0.35 0.41 0.82 0.07 0.00 0.00 179.01 180.41 2yu0 h ILE 81 N 0.54 1.21 -0.51 -1.06 2.04 -0.87 -2.34 117.51 116.52 2yu0 h ILE 81 Ca 0.59 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 2yu0 h ILE 81 Cb 1.09 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2yu0 h ILE 81 CO -0.48 0.22 0.31 -0.07 0.00 0.00 0.00 178.15 178.13 2yu0 h LEU 82 N 0.97 0.60 -0.45 1.44 3.38 0.23 -2.78 115.31 118.70 2yu0 h LEU 82 Ca 0.25 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2yu0 h LEU 82 Cb -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2yu0 h LEU 82 CO -0.04 0.47 0.23 0.11 0.09 0.00 0.00 178.44 179.30 2yu0 h LYS 83 N 0.68 0.44 -0.69 1.13 1.57 -1.07 0.15 116.57 118.78 2yu0 h LYS 83 Ca 0.18 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 2yu0 h LYS 83 Cb -0.02 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.06 2yu0 h LYS 83 CO -0.04 0.29 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.62 2yu0 h LYS 84 N 0.46 -0.09 0.04 3.15 3.64 -1.14 -0.61 116.57 122.02 2yu0 h LYS 84 Ca 0.19 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2yu0 h LYS 84 Cb 0.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2yu0 h LYS 84 CO -0.13 -0.06 -0.02 0.93 -2.27 0.00 0.00 179.45 177.90 2yu0 h GLU 85 N -0.09 -0.05 -0.92 1.90 4.39 -1.45 -3.29 114.58 115.06 2yu0 h GLU 85 Ca 0.29 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.20 2yu0 h GLU 85 Cb 0.56 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 29.05 2yu0 h GLU 85 CO -0.75 0.56 -0.12 -2.13 -1.16 0.00 0.00 179.01 175.41 2yu0 n ARG 86 N -4.80 -0.08 -2.17 2.33 0.63 0.50 -3.60 116.66 109.47 2yu0 n ARG 86 Ca -0.09 1.41 -0.36 0.00 -0.92 0.00 0.00 57.85 57.90 2yu0 n ARG 86 Cb 0.32 -2.16 -0.04 0.00 0.45 0.00 0.00 32.46 31.03 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 -5.14 5.49 -0.13 6.15 0.15 -0.29 -4.69 113.70 115.24 2yu0 s SER 87 Ca -0.13 -0.24 0.03 0.00 0.70 0.00 0.00 55.95 56.31 2yu0 s SER 87 Cb 0.26 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.92 2yu0 s SER 87 CO 0.72 -2.31 -0.09 -0.62 1.20 0.00 0.00 173.24 172.13 2yu0 n GLU 88 N 9.10 0.73 -0.12 5.44 1.02 -1.24 -4.81 120.64 130.76 2yu0 n GLU 88 Ca 0.24 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 57.20 2yu0 n GLU 88 Cb 0.50 -1.28 -0.09 0.00 -0.02 0.00 0.00 31.44 30.55 2yu0 n GLU 88 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2yu0 n SER 89 N -2.81 1.93 0.00 1.62 7.64 -1.26 -5.13 113.62 115.61 2yu0 n SER 89 Ca -0.24 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2yu0 n SER 89 Cb 0.79 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 90 N 1.33 -0.25 0.00 0.23 0.00 -1.26 -4.88 105.19 100.35 2yu0 n GLY 90 Ca -0.44 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 43.90 2yu0 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yu0 n PRO 91 N -1.46 0.48 -0.96 1.61 -0.04 -1.26 -4.86 135.00 128.51 2yu0 n PRO 91 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 2yu0 n PRO 91 Cb 0.00 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.01 2yu0 n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu0 n SER 92 N -0.86 0.60 -0.07 3.54 7.64 -1.26 -4.79 113.62 118.41 2yu0 n SER 92 Ca 0.08 0.55 -0.15 0.00 1.01 0.00 0.00 58.87 60.36 2yu0 n SER 92 Cb 0.04 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2yu0 n SER 92 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yu0 h SER 93 N 6.07 0.97 0.00 6.43 0.87 -2.04 -3.53 113.55 122.31 2yu0 h SER 93 Ca -0.11 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2yu0 h SER 93 Cb 1.02 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2yu0 h SER 93 CO 0.78 1.34 0.00 0.61 -0.53 0.00 0.00 176.83 179.03