#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu4 n SER 2 N 0.00 0.00 -2.99 1.61 7.64 -1.26 -4.77 113.62 113.85 2yu4 n SER 2 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2yu4 n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2yu4 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu4 n SER 3 N 2.43 -7.67 -4.14 6.43 2.88 -1.26 -5.04 113.62 107.26 2yu4 n SER 3 Ca 0.00 0.26 -0.20 0.00 -1.33 0.00 0.00 58.87 57.60 2yu4 n SER 3 Cb 0.00 -5.03 -0.13 0.00 -0.75 0.00 0.00 64.21 58.30 2yu4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yu4 s GLY 4 N -2.67 0.78 -0.05 0.46 0.00 -1.26 -5.05 107.32 99.52 2yu4 s GLY 4 Ca 0.17 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.85 2yu4 s GLY 4 CO 0.77 -0.79 0.89 0.23 0.00 0.00 0.00 173.10 174.21 2yu4 h SER 5 N 4.96 0.45 -3.29 1.64 0.87 -2.04 -3.42 113.55 112.71 2yu4 h SER 5 Ca -0.38 -0.96 -0.67 0.00 -1.23 0.00 0.00 61.79 58.56 2yu4 h SER 5 Cb 1.18 -0.15 -0.17 0.00 -0.44 0.00 0.00 62.40 62.82 2yu4 h SER 5 CO 0.44 1.38 0.14 -0.94 -0.53 0.00 0.00 176.83 177.32 2yu4 s SER 6 N -6.95 6.26 0.00 6.23 1.04 -1.26 -4.89 113.70 114.13 2yu4 s SER 6 Ca -0.14 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2yu4 s SER 6 Cb 0.01 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2yu4 s SER 6 CO 0.83 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2yu4 n GLY 7 N 5.14 4.07 2.73 7.32 0.00 -1.26 -5.14 105.19 118.06 2yu4 n GLY 7 Ca -0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 2yu4 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yu4 s PHE 8 N 0.00 0.59 -0.03 1.61 0.08 -1.26 -4.95 117.98 114.02 2yu4 s PHE 8 Ca 0.00 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 56.87 2yu4 s PHE 8 Cb 0.00 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2yu4 s PHE 8 CO 0.00 -0.38 -0.23 0.95 -0.10 0.00 0.00 175.22 175.46 2yu4 s THR 9 N 2.00 1.81 -0.04 0.64 -4.23 -1.26 -1.93 115.64 112.62 2yu4 s THR 9 Ca 0.04 -0.96 -0.25 0.00 -1.18 0.00 0.00 61.69 59.34 2yu4 s THR 9 Cb -0.14 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 2yu4 s THR 9 CO -0.06 0.51 0.77 0.00 -0.54 0.00 0.00 174.62 175.30 2yu4 n PRO 11 N 3.74 0.06 -0.04 0.00 -0.04 -1.26 -0.11 135.00 137.35 2yu4 n PRO 11 Ca 0.00 0.23 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 2yu4 n PRO 11 Cb 0.51 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2yu4 n PRO 11 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2yu4 n ILE 12 N -1.44 0.67 0.27 0.52 5.41 -1.26 -4.56 119.36 118.97 2yu4 n ILE 12 Ca 0.04 0.35 0.15 0.00 1.00 0.00 0.00 62.75 64.29 2yu4 n ILE 12 Cb 0.15 -1.89 0.51 0.00 -0.71 0.00 0.00 39.64 37.70 2yu4 n ILE 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2yu4 h THR 13 N -0.45 0.00 -3.88 1.39 1.35 -1.96 -3.47 112.91 105.89 2yu4 h THR 13 Ca 0.00 -0.66 -0.34 0.00 -0.55 0.00 0.00 66.41 64.86 2yu4 h THR 13 Cb 0.39 1.66 0.06 0.00 -1.73 0.00 0.00 68.15 68.52 2yu4 h THR 13 CO 0.00 0.00 -0.51 0.29 -0.25 0.00 0.00 175.52 175.05 2yu4 n LYS 14 N -3.06 -4.30 -4.18 4.72 4.76 0.85 -4.99 118.16 111.95 2yu4 n LYS 14 Ca 0.02 0.75 -0.14 0.00 -2.87 0.00 0.00 58.31 56.06 2yu4 n LYS 14 Cb 0.38 -5.29 -0.08 0.00 -1.84 0.00 0.00 35.03 28.20 2yu4 n LYS 14 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2yu4 s GLU 15 N -5.55 1.52 0.55 1.97 2.02 -1.24 -4.88 118.70 113.10 2yu4 s GLU 15 Ca 0.27 -1.73 -0.21 0.00 0.02 0.00 0.00 54.97 53.33 2yu4 s GLU 15 Cb -0.12 0.34 -0.06 0.00 0.10 0.00 0.00 34.13 34.39 2yu4 s GLU 15 CO 0.34 -0.56 1.12 -1.91 0.02 0.00 0.00 175.26 174.27 2yu4 n GLU 16 N -0.44 1.26 -4.03 1.61 2.13 -1.26 -1.07 120.64 118.85 2yu4 n GLU 16 Ca 0.03 0.47 -0.35 0.00 0.66 0.00 0.00 57.16 57.97 2yu4 n GLU 16 Cb 0.64 -2.30 -0.12 0.00 0.27 0.00 0.00 31.44 29.93 2yu4 n GLU 16 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2yu4 s MET 17 N -2.69 3.72 -0.17 5.31 -1.94 -0.81 -4.76 119.30 117.95 2yu4 s MET 17 Ca 0.72 -0.47 0.11 0.00 -1.71 0.00 0.00 55.69 54.34 2yu4 s MET 17 Cb -0.44 -3.15 -0.23 0.00 2.01 0.00 0.00 34.83 33.02 2yu4 s MET 17 CO 0.49 0.06 0.16 1.63 -0.01 0.00 0.00 175.02 177.35 2yu4 n LYS 18 N 4.15 0.68 -3.81 2.03 4.76 -1.26 -4.72 118.16 119.98 2yu4 n LYS 18 Ca -0.17 0.12 -0.28 0.00 -2.87 0.00 0.00 58.31 55.11 2yu4 n LYS 18 Cb 0.52 -1.60 -0.12 0.00 -1.84 0.00 0.00 35.03 31.99 2yu4 n LYS 18 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2yu4 s LYS 19 N -2.53 2.00 0.11 1.97 3.01 -1.26 -5.01 119.74 118.03 2yu4 s LYS 19 Ca -0.16 -2.86 -0.31 0.00 -1.01 0.00 0.00 55.97 51.63 2yu4 s LYS 19 Cb 0.07 -2.98 -0.08 0.00 -1.01 0.00 0.00 37.83 33.83 2yu4 s LYS 19 CO 0.77 -1.25 1.36 -1.25 0.51 0.00 0.00 175.35 175.49 2yu4 s PRO 20 N -0.79 4.34 -0.04 -1.68 0.04 -1.26 -1.32 135.00 134.29 2yu4 s PRO 20 Ca 0.23 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.33 2yu4 s PRO 20 Cb -0.10 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2yu4 s PRO 20 CO -0.12 -0.40 -0.11 0.14 0.04 0.00 0.00 177.00 176.55 2yu4 s VAL 21 N 1.04 1.00 0.14 -0.36 -7.23 0.86 -2.89 120.40 112.97 2yu4 s VAL 21 Ca 0.63 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 60.31 2yu4 s VAL 21 Cb -0.36 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 2yu4 s VAL 21 CO 0.31 0.31 0.37 -0.75 -0.31 0.00 0.00 175.10 175.03 2yu4 s LYS 22 N 0.37 3.61 -0.26 4.82 2.36 -1.05 -0.41 119.74 129.19 2yu4 s LYS 22 Ca -0.08 -0.11 -0.15 0.00 -2.55 0.00 0.00 55.97 53.09 2yu4 s LYS 22 Cb -0.12 -2.85 -0.04 0.00 -1.05 0.00 0.00 37.83 33.77 2yu4 s LYS 22 CO 0.02 0.47 0.37 1.21 1.55 0.00 0.00 175.35 178.97 2yu4 s ASN 23 N -2.45 6.28 0.60 1.43 2.47 -0.52 -2.72 114.94 120.02 2yu4 s ASN 23 Ca 0.41 0.32 0.38 0.00 0.42 0.00 0.00 52.86 54.39 2yu4 s ASN 23 Cb -0.12 -2.21 1.83 0.00 -1.45 0.00 0.00 41.25 39.30 2yu4 s ASN 23 CO 0.25 -0.16 2.16 0.11 -3.72 0.00 0.00 177.10 175.74 2yu4 h LYS 24 N 8.01 0.00 0.01 0.43 1.57 -1.65 0.24 116.57 125.18 2yu4 h LYS 24 Ca -0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2yu4 h LYS 24 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2yu4 h LYS 24 CO 0.66 0.01 -0.00 0.28 -0.57 0.00 0.00 179.45 179.82 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.92 -3.43 116.25 113.47 2yu4 h VAL 25 Ca -0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2yu4 h VAL 25 Cb 0.29 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2yu4 h VAL 25 CO 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.32 2yu4 n GLY 27 N 1.68 1.76 3.16 0.00 0.00 0.85 -5.00 105.19 107.64 2yu4 n GLY 27 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2yu4 n GLY 27 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yu4 n HIS 28 N 0.00 -3.49 -4.57 1.61 8.25 -1.26 -4.21 115.22 111.55 2yu4 n HIS 28 Ca 0.00 -0.63 -0.23 0.00 -0.26 0.00 0.00 57.72 56.61 2yu4 n HIS 28 Cb 0.00 -1.35 -0.14 0.00 1.12 0.00 0.00 29.99 29.62 2yu4 n HIS 28 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yu4 s THR 29 N -2.10 1.27 0.28 1.59 2.01 -1.26 -1.44 115.64 115.99 2yu4 s THR 29 Ca 0.59 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2yu4 s THR 29 Cb -0.11 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2yu4 s THR 29 CO 0.50 0.19 0.28 -0.31 -0.69 0.00 0.00 174.62 174.58 2yu4 s TYR 30 N -0.63 1.30 0.13 4.92 2.02 0.46 -4.93 117.35 120.62 2yu4 s TYR 30 Ca 0.05 -1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 55.20 2yu4 s TYR 30 Cb -0.07 -0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 40.95 2yu4 s TYR 30 CO 0.01 -0.85 0.51 -2.00 -1.57 0.00 0.00 175.55 171.65 2yu4 s GLU 31 N -3.68 3.92 0.02 -0.62 2.12 -1.26 -0.10 118.70 119.09 2yu4 s GLU 31 Ca 0.37 0.40 -0.06 0.00 0.36 0.00 0.00 54.97 56.04 2yu4 s GLU 31 Cb 0.03 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 2yu4 s GLU 31 CO 0.19 0.50 1.10 1.49 -0.54 0.00 0.00 175.26 178.00 2yu4 h GLU 32 N 3.60 -0.16 -0.99 4.30 4.81 -1.57 0.24 114.58 124.82 2yu4 h GLU 32 Ca -0.49 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.03 2yu4 h GLU 32 Cb 1.19 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2yu4 h GLU 32 CO 0.66 -0.11 0.70 -0.44 -0.73 0.00 0.00 179.01 179.09 2yu4 h ASP 33 N -0.16 0.09 0.46 1.04 3.32 -1.96 0.29 116.42 119.50 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2yu4 h ASP 33 Cb 0.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2yu4 h ASP 33 CO -0.02 0.03 -0.22 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.53 -0.74 0.00 3.45 0.00 -1.77 0.25 119.26 121.98 2yu4 h ALA 34 Ca 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2yu4 h ALA 34 Cb 1.77 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 2yu4 h ALA 34 CO -0.06 -0.70 -0.00 0.97 0.00 0.00 0.00 179.25 179.46 2yu4 h ILE 35 N -0.95 0.04 0.16 0.00 6.09 0.14 0.26 117.51 123.25 2yu4 h ILE 35 Ca -0.06 -0.15 -0.34 0.00 -1.37 0.00 0.00 64.86 62.94 2yu4 h ILE 35 Cb 0.47 1.14 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2yu4 h ILE 35 CO 0.10 0.00 -1.68 0.58 -3.07 0.00 0.00 178.15 174.09 2yu4 h VAL 36 N 0.00 1.00 0.00 2.19 2.07 -0.42 -3.06 116.25 118.03 2yu4 h VAL 36 Ca -0.00 -2.61 -0.09 0.00 0.82 0.00 0.00 66.70 64.82 2yu4 h VAL 36 Cb 0.14 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2yu4 h VAL 36 CO 0.00 0.84 -0.54 0.08 0.02 0.00 0.00 177.57 177.97 2yu4 h ARG 37 N 0.09 0.00 0.20 1.57 0.11 0.13 -3.19 114.38 113.29 2yu4 h ARG 37 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2yu4 h ARG 37 Cb 2.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.15 2yu4 h ARG 37 CO 0.17 0.37 -0.09 1.98 0.10 0.00 0.00 179.97 182.49 2yu4 h MET 38 N 0.00 -0.25 -0.83 0.08 4.05 -0.63 -1.43 114.93 115.91 2yu4 h MET 38 Ca -0.02 0.02 0.19 0.00 -0.28 0.00 0.00 59.70 59.61 2yu4 h MET 38 Cb 1.32 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 32.12 2yu4 h MET 38 CO 0.05 -0.05 0.56 0.82 0.23 0.00 0.00 176.91 178.52 2yu4 h ILE 39 N -1.04 0.70 0.00 1.77 2.04 -1.68 0.35 117.51 119.65 2yu4 h ILE 39 Ca -0.03 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.57 2yu4 h ILE 39 Cb 0.32 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2yu4 h ILE 39 CO 0.04 0.06 -0.74 -0.33 0.00 0.00 0.00 178.15 177.19 2yu4 h GLU 40 N 0.34 0.00 0.00 2.37 5.08 -1.62 -2.07 114.58 118.68 2yu4 h GLU 40 Ca 0.42 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 2yu4 h GLU 40 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2yu4 h GLU 40 CO -0.13 0.68 -0.57 1.03 -1.00 0.00 0.00 179.01 179.02 2yu4 h SER 41 N 0.00 0.00 0.00 1.42 0.87 0.63 -3.14 113.55 113.33 2yu4 h SER 41 Ca -0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 2yu4 h SER 41 Cb 1.55 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 2yu4 h SER 41 CO 0.09 0.42 -0.91 0.03 -0.53 0.00 0.00 176.83 175.93 2yu4 h ARG 42 N 0.00 0.00 -0.96 2.24 2.47 -0.54 -3.32 114.38 114.28 2yu4 h ARG 42 Ca -0.02 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.83 2yu4 h ARG 42 Cb 1.34 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.57 2yu4 h ARG 42 CO 0.05 0.94 0.58 1.96 0.56 0.00 0.00 179.97 184.06 2yu4 h GLN 43 N -1.00 0.84 0.00 0.04 1.08 -1.52 0.35 115.11 114.90 2yu4 h GLN 43 Ca -0.25 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.88 2yu4 h GLN 43 Cb 1.17 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2yu4 h GLN 43 CO -0.15 0.55 -0.10 1.57 -0.95 0.00 0.00 178.83 179.76 2yu4 h LYS 44 N 0.86 0.00 -0.43 1.46 5.09 -1.71 -1.69 116.57 120.16 2yu4 h LYS 44 Ca 0.50 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 61.14 2yu4 h LYS 44 Cb 0.59 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.86 2yu4 h LYS 44 CO -0.30 0.10 0.06 0.54 -2.09 0.00 0.00 179.45 177.76 2yu4 n ARG 45 N -3.71 2.99 -3.85 0.07 5.12 0.86 -4.95 116.66 113.19 2yu4 n ARG 45 Ca -0.02 -3.00 -0.25 0.00 -1.93 0.00 0.00 57.85 52.65 2yu4 n ARG 45 Cb 0.21 -1.96 0.01 0.00 -1.16 0.00 0.00 32.46 29.56 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2yu4 n LYS 46 N -0.50 -4.48 -4.05 5.56 5.02 -0.54 -4.98 118.16 114.18 2yu4 n LYS 46 Ca 0.30 0.54 -0.26 0.00 -2.02 0.00 0.00 58.31 56.87 2yu4 n LYS 46 Cb 1.08 -5.06 -0.04 0.00 -0.02 0.00 0.00 35.03 30.99 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yu4 n LYS 47 N -4.40 0.92 -4.30 1.97 5.02 0.84 -4.98 118.16 113.24 2yu4 n LYS 47 Ca -0.21 -3.07 -0.24 0.00 -2.02 0.00 0.00 58.31 52.78 2yu4 n LYS 47 Cb 0.64 0.70 -0.13 0.00 -0.02 0.00 0.00 35.03 36.22 2yu4 n LYS 47 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2yu4 s LYS 48 N -3.64 1.11 -0.43 1.97 -2.85 -1.26 -4.16 119.74 110.48 2yu4 s LYS 48 Ca 0.07 -1.14 -0.25 0.00 -1.00 0.00 0.00 55.97 53.65 2yu4 s LYS 48 Cb -0.01 -1.36 0.02 0.00 -2.06 0.00 0.00 37.83 34.43 2yu4 s LYS 48 CO 0.04 0.32 0.88 0.00 0.10 0.00 0.00 175.35 176.69 2yu4 s ALA 49 N -1.15 3.30 0.18 0.59 0.00 -1.26 -5.00 121.76 118.41 2yu4 s ALA 49 Ca 0.06 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.34 2yu4 s ALA 49 Cb -0.10 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2yu4 s ALA 49 CO 0.04 -1.87 0.01 1.52 0.00 0.00 0.00 175.76 175.46 2yu4 s TYR 50 N 3.52 2.87 -0.58 0.00 1.13 -1.26 -1.24 117.35 121.80 2yu4 s TYR 50 Ca 0.35 -0.13 -0.31 0.00 -1.41 0.00 0.00 57.07 55.58 2yu4 s TYR 50 Cb -0.11 -1.39 -0.13 0.00 -1.10 0.00 0.00 41.96 39.23 2yu4 s TYR 50 CO 0.23 0.52 2.41 0.00 -2.51 0.00 0.00 175.55 176.20 2yu4 n PRO 52 N 8.57 0.07 -2.06 0.00 -0.04 -1.26 -4.68 135.00 135.60 2yu4 n PRO 52 Ca 0.47 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.73 2yu4 n PRO 52 Cb 0.29 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2yu4 n PRO 52 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2yu4 s GLN 53 N -2.86 3.10 -0.16 0.54 2.00 -1.26 -4.78 119.66 116.24 2yu4 s GLN 53 Ca 0.09 1.06 -0.37 0.00 -2.00 0.00 0.00 55.36 54.14 2yu4 s GLN 53 Cb 0.10 -4.25 -0.14 0.00 0.80 0.00 0.00 33.01 29.52 2yu4 s GLN 53 CO 0.25 -2.15 1.79 -0.89 -0.50 0.00 0.00 175.29 173.79 2yu4 n ILE 54 N 7.30 0.41 0.00 -2.34 2.08 -1.26 -1.32 119.36 124.22 2yu4 n ILE 54 Ca 0.21 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.45 2yu4 n ILE 54 Cb 0.49 -1.52 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 2yu4 n ILE 54 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2yu4 n GLY 55 N 4.20 2.21 3.86 7.39 0.00 -1.26 -5.10 105.19 116.49 2yu4 n GLY 55 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 2yu4 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu4 n SER 57 N -1.97 1.72 -4.56 0.00 2.88 -1.26 -5.00 113.62 105.43 2yu4 n SER 57 Ca 0.05 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.22 2yu4 n SER 57 Cb 0.54 1.17 0.07 0.00 -0.75 0.00 0.00 64.21 65.23 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2yu4 n HIS 58 N -2.29 0.17 -2.56 0.66 -0.00 -1.26 -4.94 115.22 104.99 2yu4 n HIS 58 Ca -0.14 0.40 -0.02 0.00 -0.00 0.00 0.00 57.72 57.97 2yu4 n HIS 58 Cb 0.70 -2.04 0.05 0.00 -0.00 0.00 0.00 29.99 28.71 2yu4 n HIS 58 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2yu4 n THR 59 N -2.15 0.36 -3.58 3.57 -2.24 -1.26 -2.75 114.28 106.24 2yu4 n THR 59 Ca 0.12 -1.36 -0.29 0.00 -2.27 0.00 0.00 64.05 60.26 2yu4 n THR 59 Cb 0.49 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 2yu4 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yu4 s ASP 60 N -2.00 3.62 -0.05 3.42 2.15 -1.23 -4.32 116.67 118.25 2yu4 s ASP 60 Ca 0.16 -1.39 0.04 0.00 0.43 0.00 0.00 52.55 51.78 2yu4 s ASP 60 Cb 0.32 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.48 2yu4 s ASP 60 CO -0.09 -0.43 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.70 2yu4 s ILE 61 N 1.96 1.37 0.02 4.11 1.01 -0.37 -4.83 121.20 124.48 2yu4 s ILE 61 Ca 0.09 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2yu4 s ILE 61 Cb -0.17 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2yu4 s ILE 61 CO -0.33 0.40 -0.21 -0.13 0.00 0.00 0.00 174.94 174.66 2yu4 s ARG 62 N 0.26 1.54 0.59 2.79 0.52 -1.26 -4.57 118.95 118.83 2yu4 s ARG 62 Ca -0.09 -0.89 0.29 0.00 -0.52 0.00 0.00 55.73 54.52 2yu4 s ARG 62 Cb -0.13 -1.61 1.65 0.00 0.52 0.00 0.00 34.95 35.38 2yu4 s ARG 62 CO 0.03 0.42 2.07 -0.22 0.02 0.00 0.00 175.30 177.62 2yu4 h LYS 63 N 5.12 0.00 0.00 3.54 3.64 -1.98 0.22 116.57 127.11 2yu4 h LYS 63 Ca -0.42 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 2yu4 h LYS 63 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2yu4 h LYS 63 CO 0.45 0.00 -0.24 0.77 -2.27 0.00 0.00 179.45 178.16 2yu4 h SER 64 N 0.00 0.00 -0.65 4.20 0.02 -2.03 -2.61 113.55 112.47 2yu4 h SER 64 Ca 0.10 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.81 2yu4 h SER 64 Cb 0.59 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.98 2yu4 h SER 64 CO -0.00 0.24 0.30 0.47 -1.14 0.00 0.00 176.83 176.70 2yu4 n ASP 65 N -3.50 4.08 -4.41 3.07 8.00 0.77 -4.87 116.55 119.69 2yu4 n ASP 65 Ca -0.00 -3.05 -0.36 0.00 0.71 0.00 0.00 54.79 52.09 2yu4 n ASP 65 Cb 0.40 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.66 2yu4 n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2yu4 s LEU 66 N -2.42 3.35 0.27 0.64 1.43 -0.99 -1.59 118.68 119.38 2yu4 s LEU 66 Ca 0.44 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 2yu4 s LEU 66 Cb 0.36 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 2yu4 s LEU 66 CO 0.10 -0.04 -0.09 0.27 0.23 0.00 0.00 176.35 176.82 2yu4 s ILE 67 N 1.58 1.82 -0.50 -0.59 -4.36 -1.10 -5.00 121.20 113.04 2yu4 s ILE 67 Ca 0.06 -2.18 -0.15 0.00 -0.26 0.00 0.00 60.65 58.13 2yu4 s ILE 67 Cb -0.15 -2.39 0.11 0.00 1.25 0.00 0.00 42.46 41.28 2yu4 s ILE 67 CO 0.02 -0.35 0.43 -1.10 0.24 0.00 0.00 174.94 174.18 2yu4 s GLN 68 N -3.67 2.90 -0.44 0.37 -0.21 -1.26 -2.52 119.66 114.82 2yu4 s GLN 68 Ca 0.29 -1.59 -0.28 0.00 0.02 0.00 0.00 55.36 53.79 2yu4 s GLN 68 Cb 0.02 -4.17 -0.02 0.00 1.00 0.00 0.00 33.01 29.84 2yu4 s GLN 68 CO 0.12 -1.20 1.77 0.34 -2.12 0.00 0.00 175.29 174.20 2yu4 s ASP 69 N 3.09 5.74 0.03 5.90 -1.08 -1.14 -4.86 116.67 124.36 2yu4 s ASP 69 Ca 0.04 0.91 -0.20 0.00 -0.52 0.00 0.00 52.55 52.78 2yu4 s ASP 69 Cb -0.27 -2.53 -0.15 0.00 -1.46 0.00 0.00 42.92 38.50 2yu4 s ASP 69 CO 0.04 -1.90 1.30 -0.08 0.52 0.00 0.00 175.17 175.05 2yu4 h GLU 70 N 13.28 0.38 -0.97 4.34 4.81 -1.96 0.14 114.58 134.61 2yu4 h GLU 70 Ca -0.30 -0.23 0.14 0.00 -0.13 0.00 0.00 59.36 58.84 2yu4 h GLU 70 Cb 1.16 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 2yu4 h GLU 70 CO 1.10 0.82 0.61 0.00 -0.73 0.00 0.00 179.01 180.82 2yu4 h ALA 71 N 0.56 1.66 0.19 2.92 0.00 -2.00 -1.13 119.26 121.45 2yu4 h ALA 71 Ca 0.01 0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2yu4 h ALA 71 Cb 0.79 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.44 2yu4 h ALA 71 CO 0.05 0.07 -1.46 1.25 0.00 0.00 0.00 179.25 179.16 2yu4 h LEU 72 N 0.85 0.61 0.35 0.00 6.46 -1.95 -3.28 115.31 118.35 2yu4 h LEU 72 Ca 0.50 -0.71 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2yu4 h LEU 72 Cb 0.65 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2yu4 h LEU 72 CO -0.27 1.57 -0.43 0.03 -0.62 0.00 0.00 178.44 178.72 2yu4 h ARG 73 N 0.11 -0.80 -0.74 1.25 3.08 -0.05 -1.34 114.38 115.90 2yu4 h ARG 73 Ca -0.23 0.05 0.20 0.00 0.07 0.00 0.00 59.98 60.08 2yu4 h ARG 73 Cb 2.08 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 32.27 2yu4 h ARG 73 CO 0.22 -0.53 0.52 0.00 -1.07 0.00 0.00 179.97 179.11 2yu4 h ARG 74 N -0.83 0.08 0.38 0.04 3.08 -1.40 -1.88 114.38 113.86 2yu4 h ARG 74 Ca -0.03 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2yu4 h ARG 74 Cb 0.76 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 2yu4 h ARG 74 CO -0.11 0.05 -0.35 0.00 -1.07 0.00 0.00 179.97 178.49 2yu4 h ALA 75 N 1.64 -0.76 -0.75 0.04 0.00 -1.30 -2.07 119.26 116.05 2yu4 h ALA 75 Ca 0.36 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2yu4 h ALA 75 Cb 1.29 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 2yu4 h ALA 75 CO -0.03 -0.96 0.45 0.82 0.00 0.00 0.00 179.25 179.53 2yu4 h ILE 76 N -0.74 1.03 -0.19 0.00 2.04 -1.17 -0.51 117.51 117.97 2yu4 h ILE 76 Ca -0.03 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2yu4 h ILE 76 Cb 0.66 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2yu4 h ILE 76 CO -0.04 0.15 0.18 -0.33 0.00 0.00 0.00 178.15 178.11 2yu4 h GLU 77 N 0.84 0.00 0.00 2.37 5.08 -1.21 0.95 114.58 122.60 2yu4 h GLU 77 Ca 0.33 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 2yu4 h GLU 77 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2yu4 h GLU 77 CO -0.16 0.00 -0.47 -0.97 -1.00 0.00 0.00 179.01 176.41 2yu4 h ASN 78 N 0.00 0.00 0.98 1.42 -0.73 -0.38 0.19 115.58 117.06 2yu4 h ASN 78 Ca 0.09 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.06 2yu4 h ASN 78 Cb 0.46 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.02 2yu4 h ASN 78 CO -0.00 0.47 -1.07 -0.74 -0.37 0.00 0.00 177.43 175.72 2yu4 h HIS 79 N 0.00 0.00 0.20 0.67 2.76 -0.82 -3.16 115.15 114.81 2yu4 h HIS 79 Ca -0.00 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.82 2yu4 h HIS 79 Cb 0.86 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.83 2yu4 h HIS 79 CO 0.00 0.87 -1.67 -0.91 -1.30 0.00 0.00 177.93 174.92 2yu4 h ASN 80 N 0.00 0.68 0.15 3.26 -0.26 -1.24 -2.97 115.58 115.19 2yu4 h ASN 80 Ca -0.07 -0.93 -0.03 0.00 -0.56 0.00 0.00 56.30 54.70 2yu4 h ASN 80 Cb 1.73 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 38.76 2yu4 h ASN 80 CO 0.10 1.77 -0.15 0.07 -1.06 0.00 0.00 177.43 178.16 2yu4 h LYS 81 N 0.10 0.00 0.12 0.81 5.09 -0.74 -2.82 116.57 119.13 2yu4 h LYS 81 Ca -0.32 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.22 2yu4 h LYS 81 Cb 2.11 0.00 0.02 0.00 0.10 0.00 0.00 32.23 34.46 2yu4 h LYS 81 CO 0.20 0.15 -0.86 -0.22 -2.09 0.00 0.00 179.45 176.64 2yu4 h LYS 82 N 0.00 0.37 -3.62 0.07 3.64 -1.65 -3.47 116.57 111.91 2yu4 h LYS 82 Ca -0.00 -0.56 -0.14 0.00 -1.27 0.00 0.00 60.65 58.68 2yu4 h LYS 82 Cb 0.27 0.20 -0.20 0.00 -0.41 0.00 0.00 32.23 32.08 2yu4 h LYS 82 CO 0.02 1.24 -0.52 0.50 -2.27 0.00 0.00 179.45 178.43 2yu4 s ARG 83 N -2.65 0.50 0.12 1.90 6.06 -1.06 -5.12 118.95 118.69 2yu4 s ARG 83 Ca -0.13 -0.50 -0.26 0.00 -2.50 0.00 0.00 55.73 52.34 2yu4 s ARG 83 Cb 0.02 0.20 0.07 0.00 0.06 0.00 0.00 34.95 35.30 2yu4 s ARG 83 CO 0.85 -0.12 0.97 -1.58 -2.50 0.00 0.00 175.30 172.92 2yu4 s HIS 84 N -1.68 -0.16 0.32 5.12 2.46 -1.26 -4.05 115.29 116.04 2yu4 s HIS 84 Ca -0.13 -0.10 0.06 0.00 0.47 0.00 0.00 55.06 55.36 2yu4 s HIS 84 Cb -0.06 0.62 0.53 0.00 -0.13 0.00 0.00 32.58 33.54 2yu4 s HIS 84 CO -0.00 -0.75 1.77 0.00 -2.47 0.00 0.00 174.74 173.29 2yu4 h ARG 85 N 2.00 0.33 -5.15 2.88 -0.00 -2.01 -3.41 114.38 109.02 2yu4 h ARG 85 Ca -0.24 -0.12 -0.64 0.00 -0.50 0.00 0.00 59.98 58.49 2yu4 h ARG 85 Cb 1.23 -0.02 -0.21 0.00 0.00 0.00 0.00 29.97 30.97 2yu4 h ARG 85 CO 0.26 0.58 -0.63 -1.01 0.00 0.00 0.00 179.97 179.17 2yu4 s HIS 86 N -4.45 3.10 -0.45 3.04 3.76 -1.26 -5.07 115.29 113.97 2yu4 s HIS 86 Ca -0.06 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2yu4 s HIS 86 Cb 0.14 -2.10 0.12 0.00 1.11 0.00 0.00 32.58 31.85 2yu4 s HIS 86 CO 0.77 -0.13 0.21 -1.12 -0.85 0.00 0.00 174.74 173.62 2yu4 s SER 87 N 0.87 4.91 -0.10 1.40 0.01 -1.26 -5.07 113.70 114.47 2yu4 s SER 87 Ca 0.02 -2.42 0.01 0.00 1.31 0.00 0.00 55.95 54.87 2yu4 s SER 87 Cb -0.14 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.37 2yu4 s SER 87 CO 0.02 -0.40 -0.12 -1.83 0.41 0.00 0.00 173.24 171.32 2yu4 s GLU 88 N 0.55 1.83 -0.65 12.44 4.04 -1.26 -5.06 118.70 130.59 2yu4 s GLU 88 Ca 0.12 -0.42 0.06 0.00 0.04 0.00 0.00 54.97 54.77 2yu4 s GLU 88 Cb -0.22 -1.63 0.25 0.00 0.02 0.00 0.00 34.13 32.55 2yu4 s GLU 88 CO -0.04 -0.09 0.75 -1.13 -1.84 0.00 0.00 175.26 172.90 2yu4 n SER 89 N 4.28 3.78 -3.24 0.83 3.41 -1.26 -5.09 113.62 116.34 2yu4 n SER 89 Ca -0.19 -3.43 -0.20 0.00 -0.26 0.00 0.00 58.87 54.79 2yu4 n SER 89 Cb 0.51 -0.69 0.17 0.00 -0.26 0.00 0.00 64.21 63.94 2yu4 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu4 n GLY 90 N 0.93 -2.43 3.56 5.00 0.00 -1.26 -4.88 105.19 106.11 2yu4 n GLY 90 Ca 0.29 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2yu4 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu4 s PRO 91 N -4.75 2.57 0.02 1.61 0.04 -1.26 -4.94 135.00 128.30 2yu4 s PRO 91 Ca 0.49 0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.58 2yu4 s PRO 91 Cb -0.04 -4.85 -0.02 0.00 0.04 0.00 0.00 34.50 29.63 2yu4 s PRO 91 CO 0.37 -3.18 -0.13 -1.12 0.04 0.00 0.00 177.00 172.98 2yu4 s SER 92 N 8.07 1.53 -0.23 6.66 0.01 -1.26 -5.09 113.70 123.40 2yu4 s SER 92 Ca 0.69 -0.39 -0.36 0.00 1.31 0.00 0.00 55.95 57.21 2yu4 s SER 92 Cb -0.09 -0.11 -0.12 0.00 0.21 0.00 0.00 66.02 65.91 2yu4 s SER 92 CO 0.06 0.05 1.96 -0.24 0.41 0.00 0.00 173.24 175.48 2yu4 n SER 93 N 2.14 2.76 0.00 2.44 2.88 -1.26 -5.24 113.62 117.34 2yu4 n SER 93 Ca -0.17 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2yu4 n SER 93 Cb 0.55 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2yu4 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42