#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 0.07 0.70 1.61 0.15 -1.26 -5.16 113.70 109.81 2yu0 s SER 2 Ca 0.00 -0.01 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 2yu0 s SER 2 Cb 0.00 -0.01 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 2yu0 s SER 2 CO 0.00 -0.00 1.01 -0.44 1.20 0.00 0.00 173.24 175.01 2yu0 s SER 3 N 0.06 4.83 0.00 5.45 0.01 -1.26 -4.94 113.70 117.85 2yu0 s SER 3 Ca -0.00 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2yu0 s SER 3 Cb -0.01 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 65.11 2yu0 s SER 3 CO -0.00 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 172.67 2yu0 n GLY 4 N -2.91 0.39 0.11 3.44 0.00 -1.26 -5.03 105.19 99.94 2yu0 n GLY 4 Ca 0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2yu0 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yu0 h SER 5 N 0.00 -0.19 0.08 1.61 0.02 -2.02 -3.28 113.55 109.77 2yu0 h SER 5 Ca 0.00 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.73 2yu0 h SER 5 Cb 0.00 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2yu0 h SER 5 CO 0.00 -0.11 -1.27 0.28 -1.14 0.00 0.00 176.83 174.59 2yu0 h SER 6 N -0.16 0.25 0.00 3.07 0.02 -2.04 -3.48 113.55 111.21 2yu0 h SER 6 Ca 0.00 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2yu0 h SER 6 Cb 0.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2yu0 h SER 6 CO -0.02 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.82 2yu0 n GLY 7 N 1.67 1.38 3.49 -3.77 0.00 -1.24 -4.96 105.19 101.75 2yu0 n GLY 7 Ca -0.26 -0.07 -0.57 0.00 0.00 0.00 0.00 46.02 45.12 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 0.29 -4.89 -0.61 5.41 -1.26 -4.95 119.36 113.35 2yu0 n ILE 8 Ca 0.00 -0.07 -0.31 0.00 1.00 0.00 0.00 62.75 63.37 2yu0 n ILE 8 Cb 0.00 -0.01 -0.14 0.00 -0.71 0.00 0.00 39.64 38.78 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 -0.14 2.53 0.48 1.39 0.11 -1.26 -5.00 120.40 118.51 2yu0 s VAL 9 Ca 0.87 -1.14 0.38 0.00 -2.93 0.00 0.00 61.98 59.16 2yu0 s VAL 9 Cb -1.22 -2.00 0.58 0.00 -1.53 0.00 0.00 36.38 32.21 2yu0 s VAL 9 CO 0.57 0.44 1.57 -0.07 -3.33 0.00 0.00 175.10 174.28 2yu0 h LEU 10 N 4.94 0.14 -0.49 2.54 4.07 -1.92 1.67 115.31 126.26 2yu0 h LEU 10 Ca -0.46 0.11 -0.11 0.00 0.08 0.00 0.00 57.88 57.50 2yu0 h LEU 10 Cb 1.14 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2yu0 h LEU 10 CO 0.47 -0.19 -0.14 0.25 -1.08 0.00 0.00 178.44 177.75 2yu0 h LEU 11 N 0.00 0.97 -1.13 1.67 6.46 -1.85 -3.07 115.31 118.35 2yu0 h LEU 11 Ca 0.91 -0.37 0.38 0.00 -0.12 0.00 0.00 57.88 58.67 2yu0 h LEU 11 Cb 3.14 -0.26 -0.10 0.00 -0.73 0.00 0.00 40.66 42.71 2yu0 h LEU 11 CO -0.34 1.12 0.75 -1.14 -0.62 0.00 0.00 178.44 178.21 2yu0 n ARG 12 N -4.19 -0.02 -0.35 1.25 0.63 0.57 -0.01 116.66 114.54 2yu0 n ARG 12 Ca 0.00 0.92 0.13 0.00 -0.92 0.00 0.00 57.85 57.98 2yu0 n ARG 12 Cb 0.41 -1.88 0.26 0.00 0.45 0.00 0.00 32.46 31.71 2yu0 n ARG 12 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2yu0 h GLY 13 N 0.00 1.13 0.61 5.14 0.00 -1.64 0.11 103.07 108.42 2yu0 h GLY 13 Ca 0.68 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 48.18 2yu0 h GLY 13 CO -0.28 -0.49 -0.32 1.41 0.00 0.00 0.00 176.54 176.85 2yu0 h LEU 14 N 0.00 -0.79 -1.05 3.11 3.38 -0.70 -2.83 115.31 116.43 2yu0 h LEU 14 Ca 0.58 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.85 2yu0 h LEU 14 Cb 1.13 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.97 2yu0 h LEU 14 CO -0.96 -0.53 0.60 -0.33 0.09 0.00 0.00 178.44 177.32 2yu0 h GLU 15 N -0.86 0.49 -1.00 1.13 5.08 -1.34 -1.63 114.58 116.45 2yu0 h GLU 15 Ca -0.08 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2yu0 h GLU 15 Cb 0.67 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 2yu0 h GLU 15 CO 0.12 0.32 -0.50 0.00 -1.00 0.00 0.00 179.01 177.95 2yu0 s ILE 17 N -5.71 4.00 0.81 0.00 -4.36 -0.61 -5.01 121.20 110.32 2yu0 s ILE 17 Ca -0.13 1.60 -0.14 0.00 -0.26 0.00 0.00 60.65 61.72 2yu0 s ILE 17 Cb 0.15 -4.02 0.07 0.00 1.25 0.00 0.00 42.46 39.92 2yu0 s ILE 17 CO 0.66 0.22 1.14 -0.46 0.24 0.00 0.00 174.94 176.74 2yu0 n ASN 18 N 2.98 0.82 -0.30 4.36 0.23 -1.26 -4.58 115.26 117.52 2yu0 n ASN 18 Ca 0.05 0.58 0.12 0.00 -0.53 0.00 0.00 54.58 54.81 2yu0 n ASN 18 Cb 0.47 -1.48 0.28 0.00 -2.08 0.00 0.00 39.78 36.96 2yu0 n ASN 18 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2yu0 h LYS 19 N -0.87 0.19 -0.61 -3.83 1.63 -1.94 -1.05 116.57 110.08 2yu0 h LYS 19 Ca -0.46 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.38 2yu0 h LYS 19 Cb 1.30 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.81 2yu0 h LYS 19 CO 0.45 0.12 -0.40 1.25 -3.45 0.00 0.00 179.45 177.43 2yu0 h HIS 20 N 0.19 -1.27 -0.39 1.91 2.76 -2.02 -0.15 115.15 116.18 2yu0 h HIS 20 Ca 0.54 0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.76 2yu0 h HIS 20 Cb 1.09 0.63 -0.02 0.00 1.55 0.00 0.00 27.41 30.67 2yu0 h HIS 20 CO -0.28 -0.26 0.08 1.88 -1.30 0.00 0.00 177.93 178.05 2yu0 h TYR 21 N -0.04 0.67 -0.94 5.26 0.05 -1.64 -2.99 116.97 117.34 2yu0 h TYR 21 Ca 0.10 -0.09 0.27 0.00 0.05 0.00 0.00 58.73 59.07 2yu0 h TYR 21 Cb 0.30 -0.19 -0.16 0.00 1.01 0.00 0.00 36.73 37.69 2yu0 h TYR 21 CO -0.95 0.66 0.18 0.35 -1.05 0.00 0.00 178.16 177.34 2yu0 h PHE 22 N 0.49 0.23 -0.93 4.88 3.57 0.08 0.62 116.94 125.89 2yu0 h PHE 22 Ca 0.12 0.06 0.22 0.00 3.53 0.00 0.00 57.97 61.90 2yu0 h PHE 22 Cb 0.33 0.05 -0.12 0.00 2.79 0.00 0.00 35.95 39.00 2yu0 h PHE 22 CO 0.02 -0.34 0.46 1.03 -2.23 0.00 0.00 178.31 177.24 2yu0 h SER 23 N 0.09 0.45 -0.11 0.41 0.87 -0.93 0.34 113.55 114.67 2yu0 h SER 23 Ca 0.61 0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 61.20 2yu0 h SER 23 Cb 1.30 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2yu0 h SER 23 CO -0.79 0.05 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.18 2yu0 h LEU 24 N 0.47 0.61 -0.31 2.23 4.07 0.11 -3.04 115.31 119.45 2yu0 h LEU 24 Ca 0.58 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 58.30 2yu0 h LEU 24 Cb 1.08 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 2yu0 h LEU 24 CO -0.50 0.88 0.19 0.15 -1.08 0.00 0.00 178.44 178.08 2yu0 h PHE 25 N 0.51 0.41 -0.76 1.13 3.57 -0.06 -2.36 116.94 119.37 2yu0 h PHE 25 Ca 0.06 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2yu0 h PHE 25 Cb 0.78 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 2yu0 h PHE 25 CO 0.03 0.30 0.50 0.87 -2.23 0.00 0.00 178.31 177.78 2yu0 h LYS 26 N 0.40 0.80 -0.45 1.11 1.57 -1.25 -1.71 116.57 117.05 2yu0 h LYS 26 Ca 0.11 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2yu0 h LYS 26 Cb 0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2yu0 h LYS 26 CO -0.02 0.53 0.20 1.03 -0.57 0.00 0.00 179.45 180.62 2yu0 h SER 27 N 0.83 0.61 0.30 0.86 0.87 -1.33 1.03 113.55 116.72 2yu0 h SER 27 Ca 0.32 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2yu0 h SER 27 Cb 0.22 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2yu0 h SER 27 CO -0.11 0.59 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.41 2yu0 h LEU 28 N 0.58 0.00 0.00 2.23 3.38 -0.98 -2.67 115.31 117.85 2yu0 h LEU 28 Ca 0.15 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2yu0 h LEU 28 Cb 0.16 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2yu0 h LEU 28 CO -0.02 0.31 -1.26 -0.07 0.09 0.00 0.00 178.44 177.49 2yu0 h LEU 29 N 0.00 0.00 -0.67 1.67 -0.00 -0.86 -3.38 115.31 112.07 2yu0 h LEU 29 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.00 2yu0 h LEU 29 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.08 2yu0 h LEU 29 CO 0.04 0.51 -0.21 0.00 -0.00 0.00 0.00 178.44 178.78 2yu0 n ALA 30 N -2.35 0.04 0.25 1.53 0.00 0.35 0.74 120.51 121.07 2yu0 n ALA 30 Ca -0.07 0.70 -0.16 0.00 0.00 0.00 0.00 53.44 53.91 2yu0 n ALA 30 Cb 0.80 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.56 0.70 0.00 -0.00 -1.75 1.50 114.38 114.27 2yu0 h ARG 31 Ca 0.28 0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 60.26 2yu0 h ARG 31 Cb 0.44 0.13 0.01 0.00 -0.00 0.00 0.00 29.97 30.55 2yu0 h ARG 31 CO -0.68 -0.36 -0.33 -0.44 -0.00 0.00 0.00 179.97 178.15 2yu0 h ASP 32 N -0.60 -0.79 0.00 0.08 5.19 0.09 -2.44 116.42 117.95 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 0.45 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2yu0 h ASP 32 CO 0.10 -0.56 0.00 0.18 -3.12 0.00 0.00 179.24 175.83 2yu0 n LEU 33 N -4.53 0.00 -4.19 1.55 4.77 0.22 -4.85 117.00 109.97 2yu0 n LEU 33 Ca -0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.51 2yu0 n LEU 33 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2yu0 n LEU 33 CO 0.28 0.00 -0.06 0.59 -1.33 0.00 0.00 177.39 176.87 2yu0 n ASN 34 N -0.87 -2.85 -3.63 -1.43 3.02 0.47 -4.91 115.26 105.06 2yu0 n ASN 34 Ca 0.11 -1.02 -0.28 0.00 -0.03 0.00 0.00 54.58 53.37 2yu0 n ASN 34 Cb 0.05 -2.77 0.26 0.00 -0.61 0.00 0.00 39.78 36.71 2yu0 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2yu0 n LEU 35 N -4.39 -0.95 -4.73 3.41 4.77 0.14 -4.97 117.00 110.28 2yu0 n LEU 35 Ca 0.02 -0.61 -0.30 0.00 -0.03 0.00 0.00 56.01 55.09 2yu0 n LEU 35 Cb 0.52 -1.02 0.13 0.00 -2.33 0.00 0.00 43.42 40.72 2yu0 n LEU 35 CO 0.85 -4.06 0.68 -1.61 -1.33 0.00 0.00 177.39 171.91 2yu0 s GLU 36 N -4.58 1.46 0.11 3.23 0.41 -1.26 -4.91 118.70 113.16 2yu0 s GLU 36 Ca 0.62 0.85 0.03 0.00 -0.41 0.00 0.00 54.97 56.06 2yu0 s GLU 36 Cb -0.14 -1.83 -0.22 0.00 -1.78 0.00 0.00 34.13 30.15 2yu0 s GLU 36 CO 0.56 -2.11 1.24 0.07 -0.49 0.00 0.00 175.26 174.52 2yu0 h ARG 37 N -1.46 0.11 0.00 1.61 0.11 -1.99 -3.40 114.38 109.36 2yu0 h ARG 37 Ca -0.48 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 59.42 2yu0 h ARG 37 Cb 1.28 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2yu0 h ARG 37 CO 0.55 1.07 -0.58 -0.25 0.10 0.00 0.00 179.97 180.86 2yu0 n ASP 38 N -3.43 2.91 -1.77 0.08 9.92 -1.26 -4.79 116.55 118.20 2yu0 n ASP 38 Ca -0.03 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.16 2yu0 n ASP 38 Cb 0.96 0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 41.66 2yu0 n ASP 38 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2yu0 n ASN 39 N -1.36 5.39 0.05 -2.24 4.13 -1.26 -4.14 115.26 115.82 2yu0 n ASN 39 Ca 0.00 -2.50 -0.21 0.00 1.68 0.00 0.00 54.58 53.55 2yu0 n ASN 39 Cb 0.29 -1.26 -0.15 0.00 -1.54 0.00 0.00 39.78 37.12 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 1.96 0.33 -0.34 3.52 4.20 -1.87 -3.38 115.11 119.54 2yu0 h GLN 40 Ca 0.11 -0.56 -0.07 0.00 0.06 0.00 0.00 58.65 58.18 2yu0 h GLN 40 Cb 1.21 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.19 2yu0 h GLN 40 CO 0.16 1.24 -0.07 1.05 -0.67 0.00 0.00 178.83 180.55 2yu0 h GLU 41 N 0.09 0.64 -0.95 1.46 4.11 -1.96 -2.81 114.58 115.17 2yu0 h GLU 41 Ca -0.36 -0.24 0.28 0.00 0.07 0.00 0.00 59.36 59.11 2yu0 h GLU 41 Cb 2.07 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 31.24 2yu0 h GLU 41 CO 0.15 0.81 0.93 -0.56 0.07 0.00 0.00 179.01 180.41 2yu0 h GLN 42 N 0.43 0.00 -7.37 1.06 3.07 -1.87 -3.40 115.11 107.03 2yu0 h GLN 42 Ca 0.09 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.34 2yu0 h GLN 42 Cb 0.56 0.00 0.12 0.00 0.08 0.00 0.00 27.48 28.24 2yu0 h GLN 42 CO 0.03 0.00 0.31 0.71 0.09 0.00 0.00 178.83 179.98 2yu0 s TYR 43 N -4.62 2.70 0.08 0.06 2.02 -1.06 -5.08 117.35 111.45 2yu0 s TYR 43 Ca -0.04 1.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.92 2yu0 s TYR 43 Cb 0.17 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 2yu0 s TYR 43 CO 0.59 -1.89 -0.06 0.95 -1.57 0.00 0.00 175.55 173.57 2yu0 s THR 44 N -3.06 0.57 0.43 -0.71 -4.23 -1.26 -5.02 115.64 102.37 2yu0 s THR 44 Ca 0.61 -1.78 0.28 0.00 -1.18 0.00 0.00 61.69 59.63 2yu0 s THR 44 Cb -0.16 -1.48 0.47 0.00 1.34 0.00 0.00 72.50 72.68 2yu0 s THR 44 CO 0.55 -0.83 1.65 0.71 -0.54 0.00 0.00 174.62 176.17 2yu0 h THR 45 N 3.24 0.20 0.00 3.99 1.35 -1.97 0.56 112.91 120.28 2yu0 h THR 45 Ca -0.35 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2yu0 h THR 45 Cb 1.17 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2yu0 h THR 45 CO 0.61 0.03 0.00 -0.38 -0.25 0.00 0.00 175.52 175.53 2yu0 n ILE 46 N -4.66 0.00 -0.27 6.82 2.08 -1.26 -0.05 119.36 122.02 2yu0 n ILE 46 Ca 0.35 1.35 0.07 0.00 0.56 0.00 0.00 62.75 65.08 2yu0 n ILE 46 Cb 1.33 -2.35 0.21 0.00 -0.75 0.00 0.00 39.64 38.09 2yu0 n ILE 46 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2yu0 h GLN 47 N 0.00 0.36 -0.80 0.38 4.20 -1.75 0.87 115.11 118.36 2yu0 h GLN 47 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2yu0 h GLN 47 Cb 0.00 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 2yu0 h GLN 47 CO 0.00 0.24 0.34 0.82 -0.67 0.00 0.00 178.83 179.56 2yu0 h ILE 48 N 0.37 1.26 0.23 2.54 1.08 -0.95 -3.09 117.51 118.95 2yu0 h ILE 48 Ca 0.45 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 2yu0 h ILE 48 Cb 0.76 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2yu0 h ILE 48 CO -0.48 0.33 -0.14 0.00 -0.69 0.00 0.00 178.15 177.17 2yu0 h ALA 49 N 1.21 -1.01 -0.82 1.87 0.00 0.20 -2.23 119.26 118.48 2yu0 h ALA 49 Ca 0.27 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.31 2yu0 h ALA 49 Cb 0.18 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.06 2yu0 h ALA 49 CO -0.03 -1.00 -0.08 0.09 0.00 0.00 0.00 179.25 178.24 2yu0 n ASN 50 N -3.09 -0.18 -0.21 0.00 3.02 -0.84 0.19 115.26 114.16 2yu0 n ASN 50 Ca -0.04 1.40 -0.04 0.00 -0.03 0.00 0.00 54.58 55.87 2yu0 n ASN 50 Cb 0.14 -0.47 0.06 0.00 -0.61 0.00 0.00 39.78 38.91 2yu0 n ASN 50 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2yu0 h MET 51 N 0.00 0.70 -0.51 3.52 2.86 -1.44 -2.37 114.93 117.69 2yu0 h MET 51 Ca 0.45 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.93 2yu0 h MET 51 Cb 0.85 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2yu0 h MET 51 CO -0.80 0.46 -0.17 0.52 1.06 0.00 0.00 176.91 177.98 2yu0 h MET 52 N 0.72 1.01 -0.93 1.72 2.86 0.28 0.12 114.93 120.71 2yu0 h MET 52 Ca 0.25 -0.40 0.19 0.00 -2.06 0.00 0.00 59.70 57.68 2yu0 h MET 52 Cb 0.05 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 31.56 2yu0 h MET 52 CO -0.12 1.09 0.50 0.93 1.06 0.00 0.00 176.91 180.37 2yu0 h GLU 53 N 0.88 0.58 0.09 1.72 5.08 -0.13 0.54 114.58 123.35 2yu0 h GLU 53 Ca 0.12 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.17 2yu0 h GLU 53 Cb 0.74 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2yu0 h GLU 53 CO 0.06 0.39 -1.46 1.05 -1.00 0.00 0.00 179.01 178.04 2yu0 h GLU 54 N 0.60 0.20 0.72 2.33 4.11 -1.37 -3.32 114.58 117.86 2yu0 h GLU 54 Ca 0.55 -0.34 -0.03 0.00 0.07 0.00 0.00 59.36 59.61 2yu0 h GLU 54 Cb 0.91 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2yu0 h GLU 54 CO -0.43 1.16 -0.43 -0.22 0.07 0.00 0.00 179.01 179.16 2yu0 h LYS 55 N -0.38 -1.04 -3.43 1.06 1.63 -0.29 -3.34 116.57 110.79 2yu0 h LYS 55 Ca -0.33 0.07 -0.72 0.00 -0.85 0.00 0.00 60.65 58.82 2yu0 h LYS 55 Cb 1.71 0.24 -0.34 0.00 -0.60 0.00 0.00 32.23 33.24 2yu0 h LYS 55 CO 0.01 -0.69 -0.07 -0.06 -3.45 0.00 0.00 179.45 175.19 2yu0 s PHE 56 N -5.55 3.83 -0.68 1.91 0.08 0.19 -4.88 117.98 112.88 2yu0 s PHE 56 Ca -0.17 -2.86 0.20 0.00 0.12 0.00 0.00 56.93 54.23 2yu0 s PHE 56 Cb 0.02 -3.34 0.84 0.00 -0.57 0.00 0.00 43.02 39.97 2yu0 s PHE 56 CO 0.52 -0.80 1.61 -0.35 -0.10 0.00 0.00 175.22 176.10 2yu0 n PRO 57 N 2.72 0.12 0.44 0.24 -0.04 -1.25 0.67 135.00 137.90 2yu0 n PRO 57 Ca 0.18 0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 63.82 2yu0 n PRO 57 Cb 0.38 -1.73 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 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 2.35 -1.12 -0.00 0.55 0.00 -1.89 -3.36 119.26 115.78 2yu0 h ALA 58 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2yu0 h ALA 58 Cb 0.32 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2yu0 h ALA 58 CO 0.00 -1.10 -0.04 -0.25 0.00 0.00 0.00 179.25 177.86 2yu0 n ASP 59 N -5.55 0.38 -1.12 0.00 8.00 -1.22 -5.00 116.55 112.03 2yu0 n ASP 59 Ca -0.15 -0.69 -0.12 0.00 0.71 0.00 0.00 54.79 54.54 2yu0 n ASP 59 Cb 0.45 0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 42.22 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 -0.69 -4.10 0.00 -2.24 7.64 0.21 -2.78 113.62 111.66 2yu0 n SER 60 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2yu0 n SER 60 Cb 0.02 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.25 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 -1.27 2.78 0.37 0.23 0.00 -1.24 -4.11 105.19 101.94 2yu0 n GLY 61 Ca -0.13 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.61 0.08 0.99 7.94 -1.12 -0.89 117.00 123.39 2yu0 n LEU 62 Ca 0.00 1.67 -0.05 0.00 -1.11 0.00 0.00 56.01 56.52 2yu0 n LEU 62 Cb 0.00 -0.39 -0.03 0.00 0.53 0.00 0.00 43.42 43.54 2yu0 n LEU 62 CO 0.00 -1.50 0.51 1.23 -1.11 0.00 0.00 177.39 176.52 2yu0 h GLY 63 N 0.00 -0.88 -1.05 -3.96 0.00 -1.91 0.21 103.07 95.49 2yu0 h GLY 63 Ca 0.34 0.39 0.43 0.00 0.00 0.00 0.00 47.33 48.48 2yu0 h GLY 63 CO -0.95 -0.30 0.87 1.70 0.00 0.00 0.00 176.54 177.86 2yu0 h LYS 64 N -0.28 0.10 0.07 4.80 1.63 -1.74 0.25 116.57 121.41 2yu0 h LYS 64 Ca -0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2yu0 h LYS 64 Cb 0.24 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2yu0 h LYS 64 CO -0.02 0.07 -0.04 1.25 -3.45 0.00 0.00 179.45 177.26 2yu0 h LEU 65 N 0.10 -0.08 -0.90 5.20 7.12 -0.38 -3.02 115.31 123.35 2yu0 h LEU 65 Ca 0.80 -0.50 0.15 0.00 0.13 0.00 0.00 57.88 58.46 2yu0 h LEU 65 Cb 2.54 0.02 -0.15 0.00 -0.53 0.00 0.00 40.66 42.54 2yu0 h LEU 65 CO -0.37 0.50 -0.36 0.40 -0.13 0.00 0.00 178.44 178.48 2yu0 h ILE 66 N -0.72 0.05 -0.22 4.05 2.04 0.28 0.20 117.51 123.19 2yu0 h ILE 66 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2yu0 h ILE 66 Cb 0.58 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2yu0 h ILE 66 CO 0.02 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.90 2yu0 h GLU 67 N -0.04 0.15 -1.06 2.37 5.08 -1.56 -1.38 114.58 118.15 2yu0 h GLU 67 Ca 0.34 -0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.99 2yu0 h GLU 67 Cb 0.60 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2yu0 h GLU 67 CO -0.92 0.10 0.83 0.35 -1.00 0.00 0.00 179.01 178.38 2yu0 h PHE 68 N 0.16 0.00 0.17 4.33 3.57 -0.49 0.50 116.94 125.18 2yu0 h PHE 68 Ca 0.10 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.29 2yu0 h PHE 68 Cb 0.07 0.00 0.03 0.00 2.79 0.00 0.00 35.95 38.84 2yu0 h PHE 68 CO -0.13 0.00 -1.32 0.00 -2.23 0.00 0.00 178.31 174.63 2yu0 h GLU 70 N 0.18 -0.53 -1.02 0.00 4.39 0.28 -0.15 114.58 117.73 2yu0 h GLU 70 Ca -0.20 0.04 0.39 0.00 0.34 0.00 0.00 59.36 59.93 2yu0 h GLU 70 Cb 2.01 0.12 -0.15 0.00 -0.10 0.00 0.00 28.75 30.63 2yu0 h GLU 70 CO 0.24 -0.35 0.60 -0.85 -1.16 0.00 0.00 179.01 177.49 2yu0 n GLU 71 N -5.07 -0.04 -3.20 2.33 0.28 -1.15 -4.06 120.64 109.72 2yu0 n GLU 71 Ca -0.06 1.18 -0.39 0.00 -0.16 0.00 0.00 57.16 57.73 2yu0 n GLU 71 Cb 0.34 -2.20 -0.05 0.00 1.43 0.00 0.00 31.44 30.96 2yu0 n GLU 71 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2yu0 s VAL 72 N -5.23 5.13 0.26 3.84 1.01 -0.08 -4.96 120.40 120.36 2yu0 s VAL 72 Ca -0.07 1.15 0.19 0.00 0.00 0.00 0.00 61.98 63.24 2yu0 s VAL 72 Cb 0.29 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.91 2yu0 s VAL 72 CO 0.71 0.28 1.81 1.55 0.00 0.00 0.00 175.10 179.45 2yu0 h PRO 73 N 6.79 0.00 0.00 2.72 0.13 -1.79 0.84 132.00 140.70 2yu0 h PRO 73 Ca -0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 2yu0 h PRO 73 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2yu0 h PRO 73 CO 0.76 0.34 -0.45 0.00 -0.23 0.00 0.00 178.00 178.41 2yu0 h ALA 74 N 1.66 0.76 0.00 -0.56 0.00 -1.91 -3.31 119.26 115.90 2yu0 h ALA 74 Ca -0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 2yu0 h ALA 74 Cb 0.75 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2yu0 h ALA 74 CO 0.04 0.42 -2.00 1.28 0.00 0.00 0.00 179.25 179.00 2yu0 n LEU 75 N -3.13 0.46 -0.28 0.00 4.77 -1.07 -4.48 117.00 113.27 2yu0 n LEU 75 Ca 0.02 0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 2yu0 n LEU 75 Cb 0.67 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 42.00 2yu0 n LEU 75 CO 0.39 0.40 0.35 0.54 -1.33 0.00 0.00 177.39 177.74 2yu0 n ARG 76 N -2.88 -0.30 -0.30 3.23 1.74 0.27 0.17 116.66 118.59 2yu0 n ARG 76 Ca -0.23 1.07 0.14 0.00 -0.77 0.00 0.00 57.85 58.06 2yu0 n ARG 76 Cb 1.07 -1.58 0.31 0.00 -1.02 0.00 0.00 32.46 31.24 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 0.20 -0.54 5.56 3.64 -1.78 0.36 116.57 124.01 2yu0 h LYS 77 Ca 0.11 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2yu0 h LYS 77 Cb 0.28 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2yu0 h LYS 77 CO -0.64 0.14 0.05 -0.09 -2.27 0.00 0.00 179.45 176.64 2yu0 h ARG 78 N 0.21 0.91 0.22 1.90 9.65 0.15 -3.01 114.38 124.41 2yu0 h ARG 78 Ca 0.57 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 2yu0 h ARG 78 Cb 1.18 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 2yu0 h ARG 78 CO -0.66 0.90 -0.32 0.00 2.80 0.00 0.00 179.97 182.69 2yu0 h ALA 79 N 0.97 -0.94 -1.11 2.80 0.00 0.15 -1.32 119.26 119.81 2yu0 h ALA 79 Ca 0.16 -0.10 0.33 0.00 0.00 0.00 0.00 54.91 55.30 2yu0 h ALA 79 Cb 0.46 0.62 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 2yu0 h ALA 79 CO 0.02 -0.98 0.69 1.05 0.00 0.00 0.00 179.25 180.03 2yu0 h GLU 80 N -0.57 0.28 -0.50 0.00 4.11 -1.44 0.44 114.58 116.91 2yu0 h GLU 80 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 2yu0 h GLU 80 Cb 0.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2yu0 h GLU 80 CO -0.09 0.19 0.15 0.82 0.07 0.00 0.00 179.01 180.14 2yu0 h ILE 81 N 0.29 1.23 0.07 -1.06 2.04 -1.20 -2.63 117.51 116.24 2yu0 h ILE 81 Ca 0.70 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2yu0 h ILE 81 Cb 1.86 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2yu0 h ILE 81 CO -0.42 0.29 -0.03 -0.07 0.00 0.00 0.00 178.15 177.91 2yu0 h LEU 82 N 0.68 -0.08 -0.75 1.44 3.38 0.93 -2.91 115.31 118.00 2yu0 h LEU 82 Ca 0.16 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.19 2yu0 h LEU 82 Cb 0.29 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 2yu0 h LEU 82 CO -0.00 0.04 0.25 0.11 0.09 0.00 0.00 178.44 178.93 2yu0 h LYS 83 N -0.19 0.35 -0.95 1.13 1.57 -1.28 -1.08 116.57 116.12 2yu0 h LYS 83 Ca -0.01 -0.02 0.25 0.00 -1.87 0.00 0.00 60.65 58.99 2yu0 h LYS 83 Cb 0.16 -0.08 -0.18 0.00 0.08 0.00 0.00 32.23 32.22 2yu0 h LYS 83 CO 0.02 0.23 -0.04 1.17 -0.57 0.00 0.00 179.45 180.26 2yu0 n LYS 84 N -5.07 -0.08 -0.04 3.15 0.00 -1.00 -0.53 118.16 114.60 2yu0 n LYS 84 Ca 0.14 1.44 -0.15 0.00 0.00 0.00 0.00 58.31 59.75 2yu0 n LYS 84 Cb 0.44 -2.25 -0.12 0.00 0.00 0.00 0.00 35.03 33.10 2yu0 n LYS 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2yu0 h GLU 85 N 0.00 0.08 -0.77 1.64 5.08 -1.32 -3.32 114.58 115.97 2yu0 h GLU 85 Ca 0.55 -0.09 0.16 0.00 -1.00 0.00 0.00 59.36 58.98 2yu0 h GLU 85 Cb 1.07 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 2yu0 h GLU 85 CO -0.91 0.91 -0.16 -2.13 -1.00 0.00 0.00 179.01 175.72 2yu0 n ARG 86 N -4.58 -0.07 -1.61 2.33 0.63 0.31 -3.98 116.66 109.70 2yu0 n ARG 86 Ca -0.10 1.19 -0.40 0.00 -0.92 0.00 0.00 57.85 57.62 2yu0 n ARG 86 Cb 0.47 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 31.56 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 -5.17 5.03 -0.11 6.15 0.15 -0.79 -4.74 113.70 114.23 2yu0 s SER 87 Ca -0.11 1.50 0.01 0.00 0.70 0.00 0.00 55.95 58.06 2yu0 s SER 87 Cb 0.21 -2.51 -0.07 0.00 -1.71 0.00 0.00 66.02 61.94 2yu0 s SER 87 CO 0.60 -2.36 -0.08 -0.62 1.20 0.00 0.00 173.24 171.98 2yu0 n GLU 88 N 8.87 0.50 -0.09 5.44 -0.58 -1.26 -4.84 120.64 128.68 2yu0 n GLU 88 Ca 0.32 0.06 -0.16 0.00 -0.42 0.00 0.00 57.16 56.96 2yu0 n GLU 88 Cb 0.49 -1.22 -0.07 0.00 -0.57 0.00 0.00 31.44 30.08 2yu0 n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2yu0 n SER 89 N -2.77 1.82 0.00 1.62 3.41 -1.26 -5.12 113.62 111.31 2yu0 n SER 89 Ca -0.19 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2yu0 n SER 89 Cb 0.71 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 90 N 2.21 3.05 0.24 5.00 0.00 -1.26 -5.01 105.19 109.41 2yu0 n GLY 90 Ca -0.33 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 0.70 -6.75 1.61 0.13 -2.00 -3.44 132.00 122.25 2yu0 h PRO 91 Ca 0.00 -0.37 -0.69 0.00 -0.87 0.00 0.00 66.00 64.07 2yu0 h PRO 91 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.89 2yu0 h PRO 91 CO 0.00 0.99 -0.88 -1.12 -0.23 0.00 0.00 178.00 176.76 2yu0 s SER 92 N -6.86 3.17 -0.27 1.44 0.01 -1.26 -5.12 113.70 104.82 2yu0 s SER 92 Ca -0.09 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.58 2yu0 s SER 92 Cb 0.12 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.14 2yu0 s SER 92 CO 0.85 0.24 -0.09 -0.44 0.41 0.00 0.00 173.24 174.21 2yu0 s SER 93 N -1.38 4.41 0.00 2.44 0.01 -1.26 -5.14 113.70 112.77 2yu0 s SER 93 Ca 0.12 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2yu0 s SER 93 Cb -0.10 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2yu0 s SER 93 CO 0.03 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.07