#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 7.16 0.20 1.61 0.01 -1.26 -5.01 113.70 116.42 2yu0 s SER 2 Ca 0.00 1.93 -0.30 0.00 1.31 0.00 0.00 55.95 58.89 2yu0 s SER 2 Cb 0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 2yu0 s SER 2 CO 0.00 -0.41 1.00 -0.55 0.41 0.00 0.00 173.24 173.69 2yu0 s SER 3 N 1.00 7.48 0.15 2.44 0.15 -1.26 -4.82 113.70 118.85 2yu0 s SER 3 Ca 0.57 1.99 0.00 0.00 0.70 0.00 0.00 55.95 59.21 2yu0 s SER 3 Cb -0.27 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 2yu0 s SER 3 CO 0.29 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2yu0 n GLY 4 N 1.73 -3.43 3.07 9.45 0.00 -1.26 -4.99 105.19 109.76 2yu0 n GLY 4 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2yu0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu0 s SER 5 N -2.57 2.87 -0.16 1.61 0.15 -1.26 -5.01 113.70 109.33 2yu0 s SER 5 Ca 0.00 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 55.96 2yu0 s SER 5 Cb 0.00 -1.31 -0.06 0.00 -1.71 0.00 0.00 66.02 62.94 2yu0 s SER 5 CO 0.00 -0.02 -0.28 -0.24 1.20 0.00 0.00 173.24 173.90 2yu0 n SER 6 N 4.60 1.71 0.00 5.45 2.88 -1.26 -5.02 113.62 121.99 2yu0 n SER 6 Ca -0.19 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2yu0 n SER 6 Cb 0.50 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2yu0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu0 n GLY 7 N 1.77 1.96 2.52 0.46 0.00 -1.26 -4.99 105.19 105.65 2yu0 n GLY 7 Ca -0.22 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 2yu0 n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yu0 n ILE 8 N 0.00 1.24 -3.58 -0.61 -0.00 -1.26 -4.97 119.36 110.19 2yu0 n ILE 8 Ca 0.00 -0.37 -0.10 0.00 -0.00 0.00 0.00 62.75 62.28 2yu0 n ILE 8 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 2yu0 n ILE 8 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2yu0 s VAL 9 N -0.87 0.00 0.48 1.39 0.11 -1.26 -5.01 120.40 115.23 2yu0 s VAL 9 Ca 0.47 0.00 0.33 0.00 -2.93 0.00 0.00 61.98 59.85 2yu0 s VAL 9 Cb -0.64 -1.00 0.53 0.00 -1.53 0.00 0.00 36.38 33.75 2yu0 s VAL 9 CO 0.43 0.00 1.67 -0.07 -3.33 0.00 0.00 175.10 173.81 2yu0 h LEU 10 N 2.48 0.18 -1.02 2.54 3.38 -1.99 0.76 115.31 121.64 2yu0 h LEU 10 Ca -0.18 0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2yu0 h LEU 10 Cb 1.17 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 2yu0 h LEU 10 CO 0.30 -0.07 0.64 0.25 0.09 0.00 0.00 178.44 179.66 2yu0 h LEU 11 N 0.10 1.00 -1.60 1.67 6.46 -1.95 -1.70 115.31 119.29 2yu0 h LEU 11 Ca 0.75 0.02 0.46 0.00 -0.12 0.00 0.00 57.88 59.00 2yu0 h LEU 11 Cb 2.57 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 42.25 2yu0 h LEU 11 CO -0.24 0.60 1.30 -2.11 -0.62 0.00 0.00 178.44 177.38 2yu0 n ARG 12 N -4.54 0.00 -0.47 1.25 1.85 0.26 -0.38 116.66 114.65 2yu0 n ARG 12 Ca 0.17 1.01 0.39 0.00 -1.00 0.00 0.00 57.85 58.41 2yu0 n ARG 12 Cb 0.24 -2.39 0.67 0.00 -1.05 0.00 0.00 32.46 29.93 2yu0 n ARG 12 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2yu0 h GLY 13 N 0.00 1.22 0.18 2.89 0.00 -1.47 0.99 103.07 106.87 2yu0 h GLY 13 Ca 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 2yu0 h GLY 13 CO -0.01 -0.39 -0.09 1.41 0.00 0.00 0.00 176.54 177.47 2yu0 h LEU 14 N 0.06 -0.20 -1.47 3.11 3.38 -0.97 -3.21 115.31 116.00 2yu0 h LEU 14 Ca 0.84 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.82 2yu0 h LEU 14 Cb 2.70 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 43.50 2yu0 h LEU 14 CO -0.40 0.02 0.51 -0.08 0.09 0.00 0.00 178.44 178.58 2yu0 h GLU 15 N -0.56 0.00 0.28 1.13 4.81 -1.44 -0.36 114.58 118.43 2yu0 h GLU 15 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2yu0 h GLU 15 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2yu0 h GLU 15 CO 0.04 0.00 -0.13 0.00 -0.73 0.00 0.00 179.01 178.19 2yu0 s ILE 17 N -5.39 3.32 0.82 0.00 -4.36 -0.15 -5.02 121.20 110.43 2yu0 s ILE 17 Ca -0.15 1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 61.46 2yu0 s ILE 17 Cb 0.03 -3.84 0.08 0.00 1.25 0.00 0.00 42.46 39.99 2yu0 s ILE 17 CO 0.61 0.31 1.10 0.20 0.24 0.00 0.00 174.94 177.40 2yu0 s ASN 18 N -0.81 4.06 0.63 4.36 -0.87 -1.26 -4.60 114.94 116.44 2yu0 s ASN 18 Ca 0.46 1.86 0.24 0.00 -1.57 0.00 0.00 52.86 53.85 2yu0 s ASN 18 Cb -0.33 -2.50 1.18 0.00 -0.02 0.00 0.00 41.25 39.58 2yu0 s ASN 18 CO 0.43 -2.32 1.65 0.11 -2.57 0.00 0.00 177.10 174.40 2yu0 h LYS 19 N -1.33 0.00 0.73 -0.60 1.79 -1.95 -0.73 116.57 114.49 2yu0 h LYS 19 Ca -0.44 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 2yu0 h LYS 19 Cb 1.24 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.90 2yu0 h LYS 19 CO 0.50 0.00 -0.35 1.25 -1.08 0.00 0.00 179.45 179.77 2yu0 h HIS 20 N 0.00 -0.91 -0.28 -1.35 2.76 -2.01 -2.02 115.15 111.34 2yu0 h HIS 20 Ca 0.16 -0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.12 2yu0 h HIS 20 Cb 1.45 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.72 2yu0 h HIS 20 CO 0.00 -0.57 -0.55 1.88 -1.30 0.00 0.00 177.93 177.39 2yu0 h TYR 21 N -0.99 1.08 -0.75 5.26 0.05 -1.62 -3.20 116.97 116.81 2yu0 h TYR 21 Ca -0.10 -0.39 0.16 0.00 0.05 0.00 0.00 58.73 58.46 2yu0 h TYR 21 Cb 0.75 -0.20 -0.11 0.00 1.01 0.00 0.00 36.73 38.18 2yu0 h TYR 21 CO 0.06 1.21 0.18 0.35 -1.05 0.00 0.00 178.16 178.91 2yu0 h PHE 22 N 0.66 0.27 -0.83 4.88 3.57 -1.22 0.31 116.94 124.58 2yu0 h PHE 22 Ca 0.01 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.75 2yu0 h PHE 22 Cb 1.16 -0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.78 2yu0 h PHE 22 CO 0.07 -0.10 0.28 1.03 -2.23 0.00 0.00 178.31 177.36 2yu0 h SER 23 N 0.26 0.14 0.89 0.41 0.87 -1.35 -1.77 113.55 113.00 2yu0 h SER 23 Ca 0.42 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 61.10 2yu0 h SER 23 Cb 0.73 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2yu0 h SER 23 CO -0.52 -0.04 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.24 2yu0 h LEU 24 N 0.32 -1.01 -0.95 2.23 4.07 -1.07 -2.90 115.31 116.00 2yu0 h LEU 24 Ca 0.50 0.03 0.21 0.00 0.08 0.00 0.00 57.88 58.70 2yu0 h LEU 24 Cb 0.91 0.26 -0.18 0.00 1.08 0.00 0.00 40.66 42.74 2yu0 h LEU 24 CO -0.54 -0.71 -0.17 0.15 -1.08 0.00 0.00 178.44 176.09 2yu0 h PHE 25 N -1.22 -0.39 -1.01 1.13 3.57 -1.14 1.02 116.94 118.91 2yu0 h PHE 25 Ca -0.12 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.59 2yu0 h PHE 25 Cb 0.92 0.32 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 2yu0 h PHE 25 CO -0.01 -0.41 0.63 0.87 -2.23 0.00 0.00 178.31 177.17 2yu0 h LYS 26 N 0.01 0.95 -0.36 1.11 1.57 -1.27 0.80 116.57 119.38 2yu0 h LYS 26 Ca 0.49 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 59.08 2yu0 h LYS 26 Cb 0.81 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2yu0 h LYS 26 CO -0.96 0.63 -0.29 0.77 -0.57 0.00 0.00 179.45 179.03 2yu0 h SER 27 N 0.98 0.80 0.78 0.86 0.02 0.12 0.51 113.55 117.61 2yu0 h SER 27 Ca 0.50 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 2yu0 h SER 27 Cb 0.52 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2yu0 h SER 27 CO -0.27 1.03 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.01 2yu0 h LEU 28 N 0.66 0.00 0.00 5.07 3.38 0.23 -2.95 115.31 121.70 2yu0 h LEU 28 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2yu0 h LEU 28 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2yu0 h LEU 28 CO 0.07 0.37 -1.25 0.18 0.09 0.00 0.00 178.44 177.89 2yu0 n LEU 29 N -3.58 0.56 -0.38 1.67 7.99 0.13 -4.35 117.00 119.04 2yu0 n LEU 29 Ca -0.00 -0.13 0.32 0.00 -0.01 0.00 0.00 56.01 56.19 2yu0 n LEU 29 Cb 0.49 -0.05 0.59 0.00 -0.11 0.00 0.00 43.42 44.34 2yu0 n LEU 29 CO 0.37 0.08 1.15 0.00 -1.51 0.00 0.00 177.39 177.48 2yu0 h ALA 30 N 2.52 2.37 0.06 -1.18 0.00 0.20 0.90 119.26 124.13 2yu0 h ALA 30 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2yu0 h ALA 30 Cb 0.74 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2yu0 h ALA 30 CO 0.00 -1.04 -0.03 0.07 0.00 0.00 0.00 179.25 178.25 2yu0 h ARG 31 N 0.12 -0.08 0.49 0.00 -0.00 -1.76 0.24 114.38 113.38 2yu0 h ARG 31 Ca 0.81 0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 60.77 2yu0 h ARG 31 Cb 2.25 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 32.24 2yu0 h ARG 31 CO -0.57 0.41 -0.23 -0.44 -0.00 0.00 0.00 179.97 179.14 2yu0 h ASP 32 N -0.63 -0.56 0.34 0.08 3.32 -0.80 -3.15 116.42 115.03 2yu0 h ASP 32 Ca -0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2yu0 h ASP 32 Cb 0.54 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 2yu0 h ASP 32 CO 0.01 -0.24 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.22 2yu0 h LEU 33 N -0.98 0.00 -0.42 1.55 3.38 0.46 -3.46 115.31 115.84 2yu0 h LEU 33 Ca -0.07 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 2yu0 h LEU 33 Cb 0.50 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.31 2yu0 h LEU 33 CO 0.11 0.01 -0.33 -3.20 0.09 0.00 0.00 178.44 175.12 2yu0 n ASN 34 N -3.15 -4.11 -4.53 -0.43 5.15 0.66 -5.00 115.26 103.86 2yu0 n ASN 34 Ca -0.02 -0.22 -0.29 0.00 -0.60 0.00 0.00 54.58 53.45 2yu0 n ASN 34 Cb 0.16 -2.81 0.20 0.00 -0.53 0.00 0.00 39.78 36.80 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yu0 s LEU 35 N -4.00 1.22 -0.70 1.20 1.43 -0.18 -4.95 118.68 112.71 2yu0 s LEU 35 Ca 0.24 1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.28 2yu0 s LEU 35 Cb -0.11 -3.20 0.08 0.00 0.03 0.00 0.00 46.19 43.00 2yu0 s LEU 35 CO 0.30 -3.55 0.97 -1.61 0.23 0.00 0.00 176.35 172.69 2yu0 s GLU 36 N -4.92 3.18 0.31 1.70 2.02 -1.26 -4.87 118.70 114.87 2yu0 s GLU 36 Ca 0.67 -1.03 0.25 0.00 0.02 0.00 0.00 54.97 54.87 2yu0 s GLU 36 Cb -0.19 -4.35 1.03 0.00 0.10 0.00 0.00 34.13 30.72 2yu0 s GLU 36 CO 0.59 -1.79 1.03 0.54 0.02 0.00 0.00 175.26 175.65 2yu0 n ARG 37 N 7.40 -0.02 -0.10 1.61 1.74 -1.26 -0.16 116.66 125.88 2yu0 n ARG 37 Ca 0.00 0.80 -0.16 0.00 -0.77 0.00 0.00 57.85 57.72 2yu0 n ARG 37 Cb 0.46 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 2yu0 n ARG 37 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2yu0 n ASP 38 N -3.80 1.88 -1.94 0.55 -0.08 -1.26 -4.41 116.55 107.48 2yu0 n ASP 38 Ca 0.27 0.45 -0.12 0.00 -1.51 0.00 0.00 54.79 53.88 2yu0 n ASP 38 Cb 1.12 -0.86 -0.08 0.00 2.34 0.00 0.00 41.12 43.64 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2yu0 n ASN 39 N -4.46 5.67 0.00 1.67 4.05 0.78 -4.22 115.26 118.75 2yu0 n ASN 39 Ca -0.25 -2.68 0.13 0.00 0.45 0.00 0.00 54.58 52.22 2yu0 n ASN 39 Cb 0.56 -1.26 0.35 0.00 1.23 0.00 0.00 39.78 40.66 2yu0 n ASN 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2yu0 n GLN 40 N 1.63 0.01 -0.01 1.20 6.02 0.32 -4.00 117.38 122.55 2yu0 n GLN 40 Ca 0.31 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.13 2yu0 n GLN 40 Cb 0.69 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.31 2yu0 n GLN 40 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2yu0 h GLU 41 N 0.00 0.15 -1.51 -1.09 -0.00 -1.86 -3.29 114.58 106.99 2yu0 h GLU 41 Ca 0.00 -0.26 0.44 0.00 -0.00 0.00 0.00 59.36 59.53 2yu0 h GLU 41 Cb 0.51 0.10 -0.06 0.00 -0.00 0.00 0.00 28.75 29.29 2yu0 h GLU 41 CO 0.00 1.13 1.08 -0.56 -0.00 0.00 0.00 179.01 180.66 2yu0 h GLN 42 N -0.67 0.00 -7.09 1.06 3.07 -1.92 -3.39 115.11 106.17 2yu0 h GLN 42 Ca -0.08 -0.00 -0.48 0.00 0.09 0.00 0.00 58.65 58.18 2yu0 h GLN 42 Cb 1.34 -0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.93 2yu0 h GLN 42 CO 0.08 0.00 0.39 0.71 0.09 0.00 0.00 178.83 180.10 2yu0 s TYR 43 N -4.92 2.97 0.28 0.06 2.02 -1.24 -5.07 117.35 111.45 2yu0 s TYR 43 Ca -0.05 1.57 0.03 0.00 -0.37 0.00 0.00 57.07 58.25 2yu0 s TYR 43 Cb 0.25 -3.08 -0.06 0.00 -0.40 0.00 0.00 41.96 38.67 2yu0 s TYR 43 CO 0.84 -0.92 0.04 0.95 -1.57 0.00 0.00 175.55 174.89 2yu0 s THR 44 N -2.02 1.06 0.58 -0.71 -4.23 -1.26 -4.99 115.64 104.07 2yu0 s THR 44 Ca 0.67 -2.02 0.29 0.00 -1.18 0.00 0.00 61.69 59.46 2yu0 s THR 44 Cb -0.17 -2.62 0.41 0.00 1.34 0.00 0.00 72.50 71.46 2yu0 s THR 44 CO 0.22 -0.11 1.84 0.71 -0.54 0.00 0.00 174.62 176.74 2yu0 h THR 45 N 2.28 0.36 0.02 3.99 1.35 -1.97 -0.60 112.91 118.34 2yu0 h THR 45 Ca -0.40 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2yu0 h THR 45 Cb 1.24 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2yu0 h THR 45 CO 0.66 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 176.32 2yu0 h ILE 46 N 0.00 0.00 -0.82 6.82 1.08 -1.99 -2.40 117.51 120.21 2yu0 h ILE 46 Ca 0.29 -0.10 0.20 0.00 -0.39 0.00 0.00 64.86 64.86 2yu0 h ILE 46 Cb 1.46 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.08 2yu0 h ILE 46 CO -0.00 0.00 0.11 1.56 -0.69 0.00 0.00 178.15 179.13 2yu0 h GLN 47 N -0.13 0.15 -0.66 2.37 4.20 -1.88 0.42 115.11 119.58 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 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2yu0 h GLN 47 CO 0.01 0.10 0.26 0.82 -0.67 0.00 0.00 178.83 179.34 2yu0 h ILE 48 N 0.15 1.23 0.67 2.54 1.08 -1.26 -2.76 117.51 119.16 2yu0 h ILE 48 Ca 0.48 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 2yu0 h ILE 48 Cb 0.90 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 2yu0 h ILE 48 CO -0.66 0.29 -0.38 0.00 -0.69 0.00 0.00 178.15 176.70 2yu0 h ALA 49 N 1.33 -1.22 -0.43 1.87 0.00 0.35 -2.44 119.26 118.72 2yu0 h ALA 49 Ca 0.22 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2yu0 h ALA 49 Cb 0.19 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2yu0 h ALA 49 CO -0.02 -1.17 -0.47 -0.91 0.00 0.00 0.00 179.25 176.68 2yu0 h ASN 50 N -0.98 -1.56 -0.90 0.00 2.35 -1.36 0.12 115.58 113.26 2yu0 h ASN 50 Ca -0.09 0.23 0.24 0.00 -0.55 0.00 0.00 56.30 56.13 2yu0 h ASN 50 Cb 0.77 0.67 -0.16 0.00 0.05 0.00 0.00 38.32 39.66 2yu0 h ASN 50 CO 0.11 -0.38 0.13 0.24 -1.65 0.00 0.00 177.43 175.88 2yu0 h MET 51 N -0.34 0.11 0.14 0.81 2.86 -1.47 0.09 114.93 117.13 2yu0 h MET 51 Ca 0.13 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2yu0 h MET 51 Cb 0.59 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2yu0 h MET 51 CO -0.60 0.07 -0.07 0.52 1.06 0.00 0.00 176.91 177.90 2yu0 h MET 52 N 0.11 -0.18 -1.29 1.72 2.86 -0.43 0.15 114.93 117.86 2yu0 h MET 52 Ca 0.55 0.01 0.38 0.00 -2.06 0.00 0.00 59.70 58.58 2yu0 h MET 52 Cb 1.12 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 2yu0 h MET 52 CO -0.75 0.17 1.13 0.93 1.06 0.00 0.00 176.91 179.44 2yu0 h GLU 53 N -0.56 0.00 0.05 1.72 5.08 0.11 0.42 114.58 121.40 2yu0 h GLU 53 Ca -0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.96 2yu0 h GLU 53 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2yu0 h GLU 53 CO 0.03 0.00 -2.27 -1.91 -1.00 0.00 0.00 179.01 173.86 2yu0 n GLU 54 N -3.69 0.68 0.35 2.33 2.13 -0.88 -4.21 120.64 117.35 2yu0 n GLU 54 Ca 0.29 0.21 -0.18 0.00 0.66 0.00 0.00 57.16 58.14 2yu0 n GLU 54 Cb 1.53 -1.59 -0.09 0.00 0.27 0.00 0.00 31.44 31.55 2yu0 n GLU 54 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2yu0 h LYS 55 N -0.07 -0.99 -3.46 5.31 1.63 0.18 -3.33 116.57 115.84 2yu0 h LYS 55 Ca -0.52 0.07 -0.72 0.00 -0.85 0.00 0.00 60.65 58.63 2yu0 h LYS 55 Cb 1.91 0.22 -0.34 0.00 -0.60 0.00 0.00 32.23 33.43 2yu0 h LYS 55 CO -0.05 -0.66 -0.14 -0.06 -3.45 0.00 0.00 179.45 175.09 2yu0 s PHE 56 N -5.95 3.74 -1.90 1.91 0.40 -0.00 -4.89 117.98 111.29 2yu0 s PHE 56 Ca -0.18 -2.81 0.15 0.00 -0.60 0.00 0.00 56.93 53.49 2yu0 s PHE 56 Cb 0.04 -3.31 0.90 0.00 0.51 0.00 0.00 43.02 41.15 2yu0 s PHE 56 CO 0.61 -0.81 1.36 -0.35 0.70 0.00 0.00 175.22 176.73 2yu0 n PRO 57 N 2.89 0.44 -0.06 0.24 -0.04 -1.25 0.12 135.00 137.32 2yu0 n PRO 57 Ca 0.16 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2yu0 n PRO 57 Cb 0.38 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 2.93 0.02 -0.00 0.55 0.00 -1.91 -3.41 119.26 117.44 2yu0 h ALA 58 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2yu0 h ALA 58 Cb 0.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2yu0 h ALA 58 CO 0.00 0.12 -0.12 -0.40 0.00 0.00 0.00 179.25 178.85 2yu0 n ASP 59 N -4.67 0.15 -2.09 0.00 5.68 -1.20 -5.00 116.55 109.41 2yu0 n ASP 59 Ca -0.07 -0.57 -0.18 0.00 -0.50 0.00 0.00 54.79 53.47 2yu0 n ASP 59 Cb 0.25 0.98 -0.01 0.00 -1.14 0.00 0.00 41.12 41.21 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 -1.04 -5.25 0.00 -1.12 7.64 0.32 -1.51 113.62 112.65 2yu0 n SER 60 Ca 0.01 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2yu0 n SER 60 Cb 0.04 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 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 -1.05 3.00 0.33 0.23 0.00 -1.26 -4.30 105.19 102.15 2yu0 n GLY 61 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.48 0.45 0.99 5.85 -1.61 0.44 115.31 120.94 2yu0 h LEU 62 Ca 0.00 0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2yu0 h LEU 62 Cb 0.00 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2yu0 h LEU 62 CO 0.00 -0.33 -0.21 1.23 -0.34 0.00 0.00 178.44 178.79 2yu0 h GLY 63 N 0.03 -0.62 -1.02 3.75 0.00 -1.91 -2.55 103.07 100.75 2yu0 h GLY 63 Ca 0.57 0.23 0.42 0.00 0.00 0.00 0.00 47.33 48.55 2yu0 h GLY 63 CO -0.89 -0.23 0.79 1.70 0.00 0.00 0.00 176.54 177.92 2yu0 h LYS 64 N -1.14 0.10 0.29 4.80 1.63 -1.72 0.11 116.57 120.64 2yu0 h LYS 64 Ca -0.06 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2yu0 h LYS 64 Cb 0.48 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2yu0 h LYS 64 CO 0.10 0.07 -0.14 1.25 -3.45 0.00 0.00 179.45 177.28 2yu0 h LEU 65 N 0.11 -0.33 -0.94 5.20 7.12 -0.96 -3.09 115.31 122.42 2yu0 h LEU 65 Ca 0.81 -0.20 0.13 0.00 0.13 0.00 0.00 57.88 58.75 2yu0 h LEU 65 Cb 2.44 0.08 -0.14 0.00 -0.53 0.00 0.00 40.66 42.51 2yu0 h LEU 65 CO -0.46 0.14 -0.44 0.40 -0.13 0.00 0.00 178.44 177.95 2yu0 h ILE 66 N -0.93 0.02 -0.39 4.05 2.04 -0.34 0.20 117.51 122.16 2yu0 h ILE 66 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2yu0 h ILE 66 Cb 0.50 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 2yu0 h ILE 66 CO 0.07 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 177.74 2yu0 h GLU 67 N -0.03 -0.06 -0.86 2.37 4.39 -1.52 0.17 114.58 119.03 2yu0 h GLU 67 Ca 0.28 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.21 2yu0 h GLU 67 Cb 0.55 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 2yu0 h GLU 67 CO -0.93 -0.04 0.59 0.35 -1.16 0.00 0.00 179.01 177.82 2yu0 h PHE 68 N -0.07 0.26 0.00 4.33 3.57 -0.54 0.29 116.94 124.79 2yu0 h PHE 68 Ca 0.19 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.48 2yu0 h PHE 68 Cb 0.36 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2yu0 h PHE 68 CO -0.39 0.07 -1.12 0.00 -2.23 0.00 0.00 178.31 174.64 2yu0 h GLU 70 N 0.00 0.30 -0.59 0.00 5.08 0.16 0.13 114.58 119.66 2yu0 h GLU 70 Ca -0.06 -0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.39 2yu0 h GLU 70 Cb 1.80 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2yu0 h GLU 70 CO 0.12 0.47 0.42 1.05 -1.00 0.00 0.00 179.01 180.07 2yu0 h GLU 71 N 0.09 0.00 -5.40 2.33 4.11 -1.43 -3.40 114.58 110.88 2yu0 h GLU 71 Ca 0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.89 2yu0 h GLU 71 Cb 0.31 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.45 2yu0 h GLU 71 CO 0.00 0.00 -0.39 0.08 0.07 0.00 0.00 179.01 178.77 2yu0 s VAL 72 N -5.01 5.35 -0.53 -1.06 1.01 -1.02 -4.97 120.40 114.17 2yu0 s VAL 72 Ca -0.05 0.41 0.23 0.00 0.00 0.00 0.00 61.98 62.56 2yu0 s VAL 72 Cb 0.20 -3.57 0.23 0.00 0.00 0.00 0.00 36.38 33.25 2yu0 s VAL 72 CO 0.74 0.41 1.68 -0.81 0.00 0.00 0.00 175.10 177.12 2yu0 n PRO 73 N 3.56 0.17 0.03 2.72 -0.04 -1.26 -0.63 135.00 139.55 2yu0 n PRO 73 Ca -0.13 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 2yu0 n PRO 73 Cb 0.52 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.75 3.19 -0.05 0.55 0.00 -1.26 -4.25 120.51 116.94 2yu0 n ALA 74 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2yu0 n ALA 74 Cb 0.22 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.13 0.00 -0.53 0.00 4.77 -0.93 -4.46 117.00 113.71 2yu0 n LEU 75 Ca 0.00 0.00 0.43 0.00 -0.03 0.00 0.00 56.01 56.41 2yu0 n LEU 75 Cb 0.48 0.22 0.72 0.00 -2.33 0.00 0.00 43.42 42.52 2yu0 n LEU 75 CO 0.42 0.22 1.32 0.03 -1.33 0.00 0.00 177.39 178.05 2yu0 h ARG 76 N 0.00 0.03 -0.63 3.23 3.08 0.16 1.14 114.38 121.40 2yu0 h ARG 76 Ca -0.25 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2yu0 h ARG 76 Cb 1.46 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.48 2yu0 h ARG 76 CO 0.01 0.02 0.34 -0.22 -1.07 0.00 0.00 179.97 179.06 2yu0 h LYS 77 N 0.03 0.89 -0.11 0.04 3.64 -1.82 -2.95 116.57 116.28 2yu0 h LYS 77 Ca 0.86 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.98 2yu0 h LYS 77 Cb 3.01 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 34.66 2yu0 h LYS 77 CO -0.28 0.68 -0.54 0.00 -2.27 0.00 0.00 179.45 177.04 2yu0 h ARG 78 N 0.86 0.56 -0.15 1.90 2.47 0.10 -3.21 114.38 116.91 2yu0 h ARG 78 Ca 0.22 -0.45 0.02 0.00 -1.26 0.00 0.00 59.98 58.50 2yu0 h ARG 78 Cb 0.05 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 2yu0 h ARG 78 CO -0.03 1.08 -0.13 0.00 0.56 0.00 0.00 179.97 181.44 2yu0 h ALA 79 N 0.48 -0.31 -0.69 0.04 0.00 -1.13 0.82 119.26 118.48 2yu0 h ALA 79 Ca -0.04 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2yu0 h ALA 79 Cb 1.18 0.91 -0.12 0.00 0.00 0.00 0.00 17.79 19.76 2yu0 h ALA 79 CO 0.11 -0.38 -0.03 1.05 0.00 0.00 0.00 179.25 180.00 2yu0 h GLU 80 N -0.06 0.09 -0.90 0.00 4.11 -1.66 0.33 114.58 116.50 2yu0 h GLU 80 Ca 0.02 -0.01 0.16 0.00 0.07 0.00 0.00 59.36 59.61 2yu0 h GLU 80 Cb 0.12 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2yu0 h GLU 80 CO -0.17 0.06 0.58 0.82 0.07 0.00 0.00 179.01 180.37 2yu0 h ILE 81 N 0.09 0.80 0.00 -1.06 2.04 -1.18 0.35 117.51 118.55 2yu0 h ILE 81 Ca 0.36 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 2yu0 h ILE 81 Cb 0.61 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2yu0 h ILE 81 CO -0.62 0.12 -0.13 -0.07 0.00 0.00 0.00 178.15 177.45 2yu0 h LEU 82 N 0.64 0.00 0.09 1.44 3.38 0.19 -3.18 115.31 117.88 2yu0 h LEU 82 Ca 0.46 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.20 2yu0 h LEU 82 Cb 0.81 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.58 2yu0 h LEU 82 CO -0.21 0.13 -0.94 0.11 0.09 0.00 0.00 178.44 177.62 2yu0 h LYS 83 N 0.00 0.47 -0.90 1.13 1.57 0.51 -2.94 116.57 116.42 2yu0 h LYS 83 Ca -0.00 -0.63 0.24 0.00 -1.87 0.00 0.00 60.65 58.39 2yu0 h LYS 83 Cb 0.80 0.21 -0.14 0.00 0.08 0.00 0.00 32.23 33.18 2yu0 h LYS 83 CO 0.02 1.26 0.34 -0.22 -0.57 0.00 0.00 179.45 180.27 2yu0 h LYS 84 N -0.01 0.28 -0.02 3.15 1.63 -1.27 0.91 116.57 121.24 2yu0 h LYS 84 Ca -0.14 -0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.39 2yu0 h LYS 84 Cb 1.66 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 33.25 2yu0 h LYS 84 CO 0.18 0.19 -0.95 0.93 -3.45 0.00 0.00 179.45 176.35 2yu0 h GLU 85 N 0.29 0.69 -0.84 1.90 5.08 -1.67 -3.31 114.58 116.73 2yu0 h GLU 85 Ca 0.58 -0.71 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2yu0 h GLU 85 Cb 1.16 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 30.45 2yu0 h GLU 85 CO -0.60 1.29 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.32 2yu0 h ARG 86 N 0.36 -0.04 -6.55 2.33 2.43 -0.63 -3.39 114.38 108.89 2yu0 h ARG 86 Ca -0.11 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.54 2yu0 h ARG 86 Cb 1.61 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.14 2yu0 h ARG 86 CO 0.19 -0.03 -0.01 0.45 -1.51 0.00 0.00 179.97 179.06 2yu0 s SER 87 N -5.26 6.73 -1.00 -3.80 0.15 -1.00 -5.03 113.70 104.49 2yu0 s SER 87 Ca -0.14 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 57.51 2yu0 s SER 87 Cb 0.21 -2.30 0.25 0.00 -1.71 0.00 0.00 66.02 62.47 2yu0 s SER 87 CO 0.73 -0.10 0.97 -1.83 1.20 0.00 0.00 173.24 174.21 2yu0 s GLU 88 N -2.73 3.94 -1.78 5.44 -1.05 -1.26 -4.70 118.70 116.56 2yu0 s GLU 88 Ca 0.49 -2.95 -0.20 0.00 -0.15 0.00 0.00 54.97 52.15 2yu0 s GLU 88 Cb -0.12 -4.48 0.20 0.00 -0.44 0.00 0.00 34.13 29.30 2yu0 s GLU 88 CO 0.19 -1.26 0.49 0.45 0.95 0.00 0.00 175.26 176.09 2yu0 n SER 89 N 3.13 -1.37 -4.42 0.83 2.88 -1.26 -4.90 113.62 108.51 2yu0 n SER 89 Ca 0.20 -1.21 -0.28 0.00 -1.33 0.00 0.00 58.87 56.25 2yu0 n SER 89 Cb 0.42 -1.55 -0.12 0.00 -0.75 0.00 0.00 64.21 62.21 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 -3.35 1.68 0.67 0.46 0.00 -1.26 -5.13 107.32 100.39 2yu0 s GLY 90 Ca 0.69 -1.59 -0.14 0.00 0.00 0.00 0.00 44.72 43.68 2yu0 s GLY 90 CO 0.99 -1.60 1.11 2.56 0.00 0.00 0.00 173.10 176.16 2yu0 s PRO 91 N -2.50 2.74 0.18 2.90 0.04 -1.26 -5.01 135.00 132.08 2yu0 s PRO 91 Ca 0.19 1.37 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 2yu0 s PRO 91 Cb -0.09 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2yu0 s PRO 91 CO 0.09 -1.29 0.55 -1.12 0.04 0.00 0.00 177.00 175.26 2yu0 s SER 92 N -2.67 -0.37 0.01 6.66 0.01 -1.26 -5.03 113.70 111.05 2yu0 s SER 92 Ca 0.66 -0.29 0.26 0.00 1.31 0.00 0.00 55.95 57.89 2yu0 s SER 92 Cb -0.20 0.58 0.64 0.00 0.21 0.00 0.00 66.02 67.25 2yu0 s SER 92 CO 0.43 -1.02 1.51 -1.54 0.41 0.00 0.00 173.24 173.03 2yu0 n SER 93 N -0.35 0.42 0.00 2.44 3.41 -1.26 -5.31 113.62 112.97 2yu0 n SER 93 Ca -0.13 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2yu0 n SER 93 Cb 0.63 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2yu0 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49