#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu4 s SER 2 N 0.00 -0.61 0.03 1.61 1.04 -1.26 -5.06 113.70 109.46 2yu4 s SER 2 Ca 0.00 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2yu4 s SER 2 Cb 0.00 0.94 0.00 0.00 0.10 0.00 0.00 66.02 67.06 2yu4 s SER 2 CO 0.00 -0.21 0.00 -1.20 0.98 0.00 0.00 173.24 172.81 2yu4 n SER 3 N 4.33 0.21 -3.89 7.02 7.64 -1.26 -5.08 113.62 122.59 2yu4 n SER 3 Ca -0.22 0.05 -0.17 0.00 1.01 0.00 0.00 58.87 59.54 2yu4 n SER 3 Cb 0.56 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.55 2yu4 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu4 s GLY 4 N -4.80 0.26 0.31 0.23 0.00 -1.26 -5.03 107.32 97.03 2yu4 s GLY 4 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.73 2yu4 s GLY 4 CO 0.00 0.20 1.79 1.48 0.00 0.00 0.00 173.10 176.58 2yu4 h SER 5 N 6.65 0.42 -2.45 1.64 4.64 -2.04 -3.39 113.55 119.02 2yu4 h SER 5 Ca -0.35 -0.12 -0.45 0.00 -0.47 0.00 0.00 61.79 60.40 2yu4 h SER 5 Cb 1.17 -0.11 -0.37 0.00 -0.31 0.00 0.00 62.40 62.78 2yu4 h SER 5 CO 0.49 0.62 -0.73 -0.55 -0.87 0.00 0.00 176.83 175.79 2yu4 s SER 6 N -6.81 2.56 0.00 4.97 0.15 -1.26 -5.11 113.70 108.20 2yu4 s SER 6 Ca -0.07 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2yu4 s SER 6 Cb 0.14 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2yu4 s SER 6 CO 0.77 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2yu4 n GLY 7 N 4.98 4.33 2.70 9.45 0.00 -1.26 -5.12 105.19 120.28 2yu4 n GLY 7 Ca -0.00 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 0.41 -0.06 1.61 0.08 -1.26 -4.66 117.98 112.10 2yu4 s PHE 8 Ca 0.00 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 56.98 2yu4 s PHE 8 Cb 0.00 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 2yu4 s PHE 8 CO 0.00 -0.34 -0.22 0.95 -0.10 0.00 0.00 175.22 175.51 2yu4 s THR 9 N 2.06 1.81 0.02 0.64 -4.23 -1.26 -2.06 115.64 112.61 2yu4 s THR 9 Ca 0.04 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2yu4 s THR 9 Cb -0.13 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 2yu4 s THR 9 CO -0.05 0.51 1.04 0.00 -0.54 0.00 0.00 174.62 175.58 2yu4 n PRO 11 N 3.86 0.06 -0.03 0.00 -0.04 -1.26 -0.40 135.00 137.20 2yu4 n PRO 11 Ca 0.07 0.22 -0.03 0.00 -0.04 0.00 0.00 63.50 63.72 2yu4 n PRO 11 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.43 0.45 0.26 0.52 5.41 -1.26 -4.60 119.36 118.71 2yu4 n ILE 12 Ca 0.05 0.38 0.15 0.00 1.00 0.00 0.00 62.75 64.33 2yu4 n ILE 12 Cb 0.15 -1.74 0.65 0.00 -0.71 0.00 0.00 39.64 37.99 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 -0.29 0.21 -5.02 1.39 1.35 -1.97 -3.47 112.91 105.12 2yu4 h THR 13 Ca 0.00 -0.67 -0.31 0.00 -0.55 0.00 0.00 66.41 64.88 2yu4 h THR 13 Cb 0.29 1.55 0.12 0.00 -1.73 0.00 0.00 68.15 68.38 2yu4 h THR 13 CO 0.00 0.08 -0.58 0.29 -0.25 0.00 0.00 175.52 175.05 2yu4 n LYS 14 N -3.23 -6.31 -3.98 4.72 4.76 0.46 -5.00 118.16 109.57 2yu4 n LYS 14 Ca 0.00 0.69 -0.09 0.00 -2.87 0.00 0.00 58.31 56.04 2yu4 n LYS 14 Cb 0.32 -5.30 -0.05 0.00 -1.84 0.00 0.00 35.03 28.16 2yu4 n LYS 14 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2yu4 s GLU 15 N -5.82 1.49 0.51 1.97 -1.05 -1.24 -4.89 118.70 109.67 2yu4 s GLU 15 Ca 0.35 -1.23 -0.21 0.00 -0.15 0.00 0.00 54.97 53.73 2yu4 s GLU 15 Cb -0.15 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 33.91 2yu4 s GLU 15 CO 0.60 -0.61 0.85 -1.91 0.95 0.00 0.00 175.26 175.14 2yu4 n GLU 16 N -0.36 0.96 -4.31 -4.83 2.13 -1.26 -1.26 120.64 111.71 2yu4 n GLU 16 Ca -0.03 0.36 -0.34 0.00 0.66 0.00 0.00 57.16 57.81 2yu4 n GLU 16 Cb 0.62 -1.96 -0.09 0.00 0.27 0.00 0.00 31.44 30.28 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 -2.21 2.94 -0.02 5.31 -1.94 -0.88 -4.76 119.30 117.73 2yu4 s MET 17 Ca 0.68 -0.47 0.02 0.00 -1.71 0.00 0.00 55.69 54.21 2yu4 s MET 17 Cb -0.49 -2.77 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 2yu4 s MET 17 CO 0.53 0.68 0.01 1.63 -0.01 0.00 0.00 175.02 177.86 2yu4 n LYS 18 N 1.82 3.59 -3.82 2.03 4.76 -1.26 -4.88 118.16 120.40 2yu4 n LYS 18 Ca -0.17 -0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.99 2yu4 n LYS 18 Cb 0.53 -1.06 -0.12 0.00 -1.84 0.00 0.00 35.03 32.54 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 -2.06 2.02 0.01 1.97 1.02 -1.26 -4.95 119.74 116.49 2yu4 s LYS 19 Ca -0.01 -2.89 -0.30 0.00 0.02 0.00 0.00 55.97 52.79 2yu4 s LYS 19 Cb 0.01 -3.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 2yu4 s LYS 19 CO 0.09 -1.25 1.44 -1.25 -0.92 0.00 0.00 175.35 173.46 2yu4 s PRO 20 N -0.82 4.27 -0.18 -1.68 0.04 -1.26 -1.41 135.00 133.95 2yu4 s PRO 20 Ca 0.24 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.30 2yu4 s PRO 20 Cb -0.10 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.87 2yu4 s PRO 20 CO -0.12 -0.60 -0.16 0.14 0.04 0.00 0.00 177.00 176.30 2yu4 s VAL 21 N 2.43 2.49 0.00 -0.36 -7.23 0.89 -2.20 120.40 116.43 2yu4 s VAL 21 Ca 0.65 -0.80 -0.10 0.00 -1.81 0.00 0.00 61.98 59.92 2yu4 s VAL 21 Cb -0.33 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 2yu4 s VAL 21 CO 0.27 0.51 0.32 -0.75 -0.31 0.00 0.00 175.10 175.15 2yu4 s LYS 22 N 1.18 3.71 0.21 4.82 2.20 -0.37 -1.86 119.74 129.62 2yu4 s LYS 22 Ca 0.02 0.14 -0.08 0.00 -0.36 0.00 0.00 55.97 55.68 2yu4 s LYS 22 Cb -0.14 -3.12 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 2yu4 s LYS 22 CO -0.07 0.66 0.50 1.21 -0.36 0.00 0.00 175.35 177.30 2yu4 s ASN 23 N -1.40 6.58 0.17 1.43 2.47 -1.01 -1.87 114.94 121.32 2yu4 s ASN 23 Ca 0.25 0.82 0.17 0.00 0.42 0.00 0.00 52.86 54.53 2yu4 s ASN 23 Cb -0.14 -2.19 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 2yu4 s ASN 23 CO 0.14 -0.05 1.11 0.11 -3.72 0.00 0.00 177.10 174.69 2yu4 h LYS 24 N 2.58 0.00 0.05 0.43 1.57 -1.75 -3.03 116.57 116.42 2yu4 h LYS 24 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2yu4 h LYS 24 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2yu4 h LYS 24 CO 0.70 0.32 -0.03 0.28 -0.57 0.00 0.00 179.45 180.15 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.93 -3.43 116.25 113.46 2yu4 h VAL 25 Ca -0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2yu4 h VAL 25 Cb 1.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2yu4 h VAL 25 CO 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.58 2yu4 n GLY 27 N 1.85 1.36 3.24 0.00 0.00 -1.14 -4.99 105.19 105.51 2yu4 n GLY 27 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.89 -4.48 1.61 8.25 -1.26 -4.23 115.22 113.23 2yu4 n HIS 28 Ca 0.00 -0.06 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 2yu4 n HIS 28 Cb 0.00 -1.51 -0.15 0.00 1.12 0.00 0.00 29.99 29.45 2yu4 n HIS 28 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yu4 s THR 29 N -2.21 0.87 0.31 1.59 -4.23 -1.26 -2.39 115.64 108.32 2yu4 s THR 29 Ca 0.55 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 2yu4 s THR 29 Cb -0.13 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 2yu4 s THR 29 CO 0.58 0.25 0.29 -0.31 -0.54 0.00 0.00 174.62 174.89 2yu4 s TYR 30 N -0.20 1.52 0.29 3.99 2.02 -0.78 -4.90 117.35 119.29 2yu4 s TYR 30 Ca 0.03 -1.54 -0.21 0.00 -0.37 0.00 0.00 57.07 54.98 2yu4 s TYR 30 Cb -0.05 -0.57 -0.09 0.00 -0.40 0.00 0.00 41.96 40.85 2yu4 s TYR 30 CO -0.00 -0.88 0.81 -2.00 -1.57 0.00 0.00 175.55 171.91 2yu4 s GLU 31 N -3.50 4.31 0.02 -0.62 2.12 -1.26 -0.08 118.70 119.68 2yu4 s GLU 31 Ca 0.38 1.00 -0.07 0.00 0.36 0.00 0.00 54.97 56.64 2yu4 s GLU 31 Cb 0.03 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 2yu4 s GLU 31 CO 0.24 0.28 1.11 1.49 -0.54 0.00 0.00 175.26 177.84 2yu4 h GLU 32 N 3.01 -0.18 -0.94 4.30 4.81 -1.61 0.21 114.58 124.18 2yu4 h GLU 32 Ca -0.48 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 59.03 2yu4 h GLU 32 Cb 1.19 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 2yu4 h GLU 32 CO 0.65 -0.12 0.67 -0.44 -0.73 0.00 0.00 179.01 179.04 2yu4 h ASP 33 N -0.19 0.03 0.45 1.04 3.32 -1.95 0.30 116.42 119.41 2yu4 h ASP 33 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2yu4 h ASP 33 Cb 0.17 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2yu4 h ASP 33 CO -0.02 0.01 -0.21 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.54 -0.72 0.00 3.45 0.00 -1.77 0.25 119.26 122.01 2yu4 h ALA 34 Ca 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2yu4 h ALA 34 Cb 1.75 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yu4 h ALA 34 CO -0.02 -0.67 -0.01 0.97 0.00 0.00 0.00 179.25 179.51 2yu4 h ILE 35 N -0.95 0.07 0.17 0.00 6.09 0.08 0.26 117.51 123.23 2yu4 h ILE 35 Ca -0.06 -0.19 -0.34 0.00 -1.37 0.00 0.00 64.86 62.90 2yu4 h ILE 35 Cb 0.46 1.17 0.01 0.00 0.47 0.00 0.00 36.82 38.93 2yu4 h ILE 35 CO 0.10 0.01 -1.68 0.58 -3.07 0.00 0.00 178.15 174.09 2yu4 h VAL 36 N 0.00 1.01 0.00 2.19 2.07 -0.42 -3.08 116.25 118.02 2yu4 h VAL 36 Ca -0.00 -2.60 -0.10 0.00 0.82 0.00 0.00 66.70 64.82 2yu4 h VAL 36 Cb 0.17 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2yu4 h VAL 36 CO 0.00 0.84 -0.56 0.08 0.02 0.00 0.00 177.57 177.95 2yu4 h ARG 37 N 0.10 0.00 0.19 1.57 0.11 0.06 -3.15 114.38 113.26 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 2.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.16 2yu4 h ARG 37 CO 0.18 0.44 -0.09 1.98 0.10 0.00 0.00 179.97 182.58 2yu4 h MET 38 N 0.00 -0.25 -0.76 0.08 4.05 -0.63 -1.38 114.93 116.04 2yu4 h MET 38 Ca -0.02 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 2yu4 h MET 38 Cb 1.37 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 32.18 2yu4 h MET 38 CO 0.06 0.10 0.50 0.82 0.23 0.00 0.00 176.91 178.62 2yu4 h ILE 39 N -0.95 0.86 0.00 1.77 2.04 -1.67 0.30 117.51 119.86 2yu4 h ILE 39 Ca -0.03 -0.19 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 2yu4 h ILE 39 Cb 0.46 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2yu4 h ILE 39 CO 0.04 0.10 -0.69 -0.33 0.00 0.00 0.00 178.15 177.27 2yu4 h GLU 40 N 0.55 0.00 0.00 2.37 4.39 -1.61 -2.21 114.58 118.07 2yu4 h GLU 40 Ca 0.37 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.96 2yu4 h GLU 40 Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2yu4 h GLU 40 CO -0.13 0.69 -0.63 1.03 -1.16 0.00 0.00 179.01 178.81 2yu4 h SER 41 N 0.00 0.00 0.00 1.42 0.87 0.28 -3.16 113.55 112.97 2yu4 h SER 41 Ca -0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2yu4 h SER 41 Cb 1.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2yu4 h SER 41 CO 0.09 0.46 -0.33 0.03 -0.53 0.00 0.00 176.83 176.55 2yu4 h ARG 42 N 0.00 0.00 -0.45 2.24 2.47 -0.51 -3.29 114.38 114.84 2yu4 h ARG 42 Ca -0.03 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.78 2yu4 h ARG 42 Cb 1.37 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.61 2yu4 h ARG 42 CO 0.05 0.67 -0.05 1.96 0.56 0.00 0.00 179.97 183.17 2yu4 h GLN 43 N -1.00 0.06 -0.20 0.04 4.20 -1.50 0.34 115.11 117.05 2yu4 h GLN 43 Ca -0.08 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.69 2yu4 h GLN 43 Cb 0.79 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2yu4 h GLN 43 CO -0.05 0.04 0.24 1.57 -0.67 0.00 0.00 178.83 179.96 2yu4 h LYS 44 N 0.06 0.00 -0.58 1.46 5.09 -1.71 0.23 116.57 121.12 2yu4 h LYS 44 Ca 0.22 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.77 2yu4 h LYS 44 Cb 0.34 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 32.55 2yu4 h LYS 44 CO -0.41 0.00 0.18 0.54 -2.09 0.00 0.00 179.45 177.67 2yu4 n ARG 45 N -3.73 2.96 -3.90 0.07 5.12 0.82 -4.93 116.66 113.07 2yu4 n ARG 45 Ca 0.02 -3.06 -0.28 0.00 -1.93 0.00 0.00 57.85 52.61 2yu4 n ARG 45 Cb 0.36 -2.05 0.01 0.00 -1.16 0.00 0.00 32.46 29.63 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 -0.57 -4.73 -4.22 5.56 5.02 0.82 -4.97 118.16 115.08 2yu4 n LYS 46 Ca 0.37 0.55 -0.27 0.00 -2.02 0.00 0.00 58.31 56.94 2yu4 n LYS 46 Cb 1.24 -5.20 -0.06 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 -4.49 0.95 -4.28 1.97 5.02 0.84 -4.97 118.16 113.20 2yu4 n LYS 47 Ca -0.11 -3.08 -0.21 0.00 -2.02 0.00 0.00 58.31 52.89 2yu4 n LYS 47 Cb 0.59 0.89 -0.13 0.00 -0.02 0.00 0.00 35.03 36.36 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 -3.51 0.96 -0.36 1.97 -2.85 -1.26 -3.86 119.74 110.83 2yu4 s LYS 48 Ca 0.01 -0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 53.73 2yu4 s LYS 48 Cb 0.00 -1.05 0.01 0.00 -2.06 0.00 0.00 37.83 34.74 2yu4 s LYS 48 CO 0.01 0.24 1.20 0.00 0.10 0.00 0.00 175.35 176.91 2yu4 s ALA 49 N -1.12 3.31 0.20 0.59 0.00 -1.26 -4.99 121.76 118.51 2yu4 s ALA 49 Ca 0.02 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.95 2yu4 s ALA 49 Cb -0.09 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2yu4 s ALA 49 CO 0.03 -1.88 -0.10 1.52 0.00 0.00 0.00 175.76 175.32 2yu4 s TYR 50 N 4.30 2.59 -0.58 0.00 -0.85 -1.26 -0.12 117.35 121.42 2yu4 s TYR 50 Ca 0.51 -0.24 -0.31 0.00 -0.52 0.00 0.00 57.07 56.52 2yu4 s TYR 50 Cb -0.12 -1.23 -0.13 0.00 0.38 0.00 0.00 41.96 40.85 2yu4 s TYR 50 CO 0.24 0.55 2.42 0.00 -1.52 0.00 0.00 175.55 177.24 2yu4 n PRO 52 N 8.58 0.17 -1.78 0.00 -0.04 -1.26 -4.68 135.00 135.99 2yu4 n PRO 52 Ca 0.47 0.41 -0.40 0.00 -0.04 0.00 0.00 63.50 63.94 2yu4 n PRO 52 Cb 0.29 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 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 -3.28 2.72 -0.45 0.54 2.00 -1.26 -4.86 119.66 115.07 2yu4 s GLN 53 Ca 0.04 1.35 -0.33 0.00 -2.00 0.00 0.00 55.36 54.43 2yu4 s GLN 53 Cb 0.09 -4.41 -0.12 0.00 0.80 0.00 0.00 33.01 29.38 2yu4 s GLN 53 CO 0.37 -2.58 2.29 -0.89 -0.50 0.00 0.00 175.29 173.98 2yu4 n ILE 54 N 7.63 0.12 0.00 -2.34 -0.00 -1.26 -1.35 119.36 122.17 2yu4 n ILE 54 Ca 0.28 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 2yu4 n ILE 54 Cb 0.50 -1.74 0.00 0.00 -0.00 0.00 0.00 39.64 38.40 2yu4 n ILE 54 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2yu4 n GLY 55 N 6.42 1.39 3.86 7.39 0.00 -1.26 -5.13 105.19 117.86 2yu4 n GLY 55 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.50 1.06 -4.49 0.00 7.64 -1.26 -5.00 113.62 110.06 2yu4 n SER 57 Ca 0.05 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 2yu4 n SER 57 Cb 0.54 1.33 0.10 0.00 -1.01 0.00 0.00 64.21 65.16 2yu4 n SER 57 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2yu4 n HIS 58 N -2.35 -0.66 -2.48 1.43 -0.00 -1.26 -4.96 115.22 104.94 2yu4 n HIS 58 Ca -0.15 0.32 -0.02 0.00 -0.00 0.00 0.00 57.72 57.87 2yu4 n HIS 58 Cb 0.74 -1.91 0.04 0.00 -0.00 0.00 0.00 29.99 28.87 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 -2.94 0.21 -3.58 3.57 -2.24 -1.26 -3.53 114.28 104.51 2yu4 n THR 59 Ca 0.10 -1.01 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 2yu4 n THR 59 Cb 0.51 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 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 -1.63 3.61 -0.06 3.42 2.15 -1.25 -4.54 116.67 118.37 2yu4 s ASP 60 Ca 0.12 -1.41 0.03 0.00 0.43 0.00 0.00 52.55 51.73 2yu4 s ASP 60 Cb 0.29 -0.46 0.01 0.00 -0.30 0.00 0.00 42.92 42.45 2yu4 s ASP 60 CO -0.08 -0.43 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.71 2yu4 s ILE 61 N 1.95 1.36 -0.01 4.11 1.01 0.83 -4.88 121.20 125.58 2yu4 s ILE 61 Ca 0.10 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.18 2yu4 s ILE 61 Cb -0.17 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2yu4 s ILE 61 CO -0.33 0.40 -0.21 -0.13 0.00 0.00 0.00 174.94 174.67 2yu4 s ARG 62 N 0.40 1.66 0.59 2.79 0.52 -1.26 -4.31 118.95 119.33 2yu4 s ARG 62 Ca -0.11 -0.79 0.28 0.00 -0.52 0.00 0.00 55.73 54.59 2yu4 s ARG 62 Cb -0.15 -1.64 1.63 0.00 0.52 0.00 0.00 34.95 35.32 2yu4 s ARG 62 CO 0.04 0.44 2.07 -0.22 0.02 0.00 0.00 175.30 177.66 2yu4 h LYS 63 N 5.48 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.50 2yu4 h LYS 63 Ca -0.40 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.92 2yu4 h LYS 63 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2yu4 h LYS 63 CO 0.47 0.00 -0.27 1.03 -2.27 0.00 0.00 179.45 178.42 2yu4 h SER 64 N 0.00 0.00 -0.60 4.20 0.87 -2.04 -2.85 113.55 113.13 2yu4 h SER 64 Ca 0.10 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 2yu4 h SER 64 Cb 0.58 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.42 2yu4 h SER 64 CO -0.00 0.27 0.24 0.47 -0.53 0.00 0.00 176.83 177.27 2yu4 n ASP 65 N -3.37 4.20 -4.43 6.23 9.92 0.84 -4.88 116.55 125.06 2yu4 n ASP 65 Ca 0.00 -2.97 -0.35 0.00 -0.53 0.00 0.00 54.79 50.94 2yu4 n ASP 65 Cb 0.48 -0.70 -0.13 0.00 -0.64 0.00 0.00 41.12 40.13 2yu4 n ASP 65 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yu4 s LEU 66 N -2.35 3.19 0.17 0.64 1.43 -1.08 -1.86 118.68 118.81 2yu4 s LEU 66 Ca 0.44 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2yu4 s LEU 66 Cb 0.35 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 2yu4 s LEU 66 CO 0.11 0.06 -0.11 0.27 0.23 0.00 0.00 176.35 176.90 2yu4 s ILE 67 N 1.02 1.36 -0.46 -0.59 -4.36 -0.78 -5.00 121.20 112.38 2yu4 s ILE 67 Ca 0.01 -2.11 -0.22 0.00 -0.26 0.00 0.00 60.65 58.07 2yu4 s ILE 67 Cb -0.14 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.67 2yu4 s ILE 67 CO 0.01 -0.69 0.73 -1.10 0.24 0.00 0.00 174.94 174.13 2yu4 s GLN 68 N -3.72 3.33 -0.14 0.37 -0.21 -1.26 -1.24 119.66 116.79 2yu4 s GLN 68 Ca 0.19 -0.28 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 2yu4 s GLN 68 Cb 0.02 -3.96 -0.03 0.00 1.00 0.00 0.00 33.01 30.04 2yu4 s GLN 68 CO 0.03 -1.11 1.39 0.34 -2.12 0.00 0.00 175.29 173.82 2yu4 s ASP 69 N 2.17 6.83 -0.06 5.90 2.15 -0.93 -4.91 116.67 127.82 2yu4 s ASP 69 Ca 0.26 1.82 -0.21 0.00 0.43 0.00 0.00 52.55 54.85 2yu4 s ASP 69 Cb -0.13 -2.54 -0.31 0.00 -0.30 0.00 0.00 42.92 39.64 2yu4 s ASP 69 CO 0.20 -0.84 0.84 -0.08 -0.17 0.00 0.00 175.17 175.12 2yu4 h GLU 70 N 8.73 0.28 -0.91 4.34 4.81 -1.95 -2.42 114.58 127.47 2yu4 h GLU 70 Ca -0.30 -0.49 0.21 0.00 -0.13 0.00 0.00 59.36 58.65 2yu4 h GLU 70 Cb 1.13 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 2yu4 h GLU 70 CO 0.97 1.23 0.61 0.00 -0.73 0.00 0.00 179.01 181.09 2yu4 h ALA 71 N 0.06 2.27 0.08 2.92 0.00 -1.99 -0.13 119.26 122.46 2yu4 h ALA 71 Ca -0.16 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 2yu4 h ALA 71 Cb 1.64 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2yu4 h ALA 71 CO 0.13 -0.56 -1.61 1.25 0.00 0.00 0.00 179.25 178.46 2yu4 h LEU 72 N 0.37 0.28 0.50 0.00 5.85 -1.95 -3.22 115.31 117.12 2yu4 h LEU 72 Ca 0.47 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2yu4 h LEU 72 Cb 1.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2yu4 h LEU 72 CO -0.17 1.38 -0.34 0.03 -0.34 0.00 0.00 178.44 179.00 2yu4 h ARG 73 N 0.05 -0.78 0.00 1.25 2.47 -0.54 -1.31 114.38 115.52 2yu4 h ARG 73 Ca -0.27 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 2yu4 h ARG 73 Cb 2.00 0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 30.50 2yu4 h ARG 73 CO 0.13 -0.52 -0.08 0.00 0.56 0.00 0.00 179.97 180.06 2yu4 h ARG 74 N -0.81 0.00 0.39 0.04 3.08 -1.40 -2.73 114.38 112.96 2yu4 h ARG 74 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2yu4 h ARG 74 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2yu4 h ARG 74 CO 0.03 0.08 -0.19 0.00 -1.07 0.00 0.00 179.97 178.82 2yu4 h ALA 75 N 1.92 -0.53 -0.91 0.04 0.00 -1.41 -2.47 119.26 115.91 2yu4 h ALA 75 Ca -0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2yu4 h ALA 75 Cb 0.17 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 2yu4 h ALA 75 CO 0.01 -0.66 0.55 0.82 0.00 0.00 0.00 179.25 179.97 2yu4 h ILE 76 N -0.81 0.93 0.00 0.00 2.04 -1.05 0.42 117.51 119.04 2yu4 h ILE 76 Ca -0.05 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2yu4 h ILE 76 Cb 0.54 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2yu4 h ILE 76 CO 0.09 0.17 -0.11 -0.33 0.00 0.00 0.00 178.15 177.97 2yu4 h GLU 77 N 0.91 0.00 0.00 2.37 4.39 -1.45 -1.28 114.58 119.52 2yu4 h GLU 77 Ca 0.44 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.11 2yu4 h GLU 77 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2yu4 h GLU 77 CO -0.24 0.11 -0.12 -0.97 -1.16 0.00 0.00 179.01 176.62 2yu4 h ASN 78 N 0.00 0.00 0.10 1.42 -0.00 -0.42 -1.55 115.58 115.14 2yu4 h ASN 78 Ca -0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 55.93 2yu4 h ASN 78 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 2yu4 h ASN 78 CO 0.01 0.12 -2.05 1.57 -0.00 0.00 0.00 177.43 177.09 2yu4 n HIS 79 N -3.93 1.04 0.01 0.67 -0.00 -0.56 -4.19 115.22 108.27 2yu4 n HIS 79 Ca -0.02 0.23 0.04 0.00 0.46 0.00 0.00 57.72 58.43 2yu4 n HIS 79 Cb 0.21 -1.13 0.43 0.00 -0.12 0.00 0.00 29.99 29.38 2yu4 n HIS 79 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2yu4 h ASN 80 N 0.00 0.45 -0.15 0.26 -0.26 -1.16 -1.25 115.58 113.48 2yu4 h ASN 80 Ca -0.45 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 55.32 2yu4 h ASN 80 Cb 1.98 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 39.12 2yu4 h ASN 80 CO 0.04 0.34 0.11 0.07 -1.06 0.00 0.00 177.43 176.93 2yu4 h LYS 81 N 0.53 0.00 -0.86 0.81 5.09 -1.45 -1.46 116.57 119.23 2yu4 h LYS 81 Ca 0.14 0.00 0.17 0.00 0.09 0.00 0.00 60.65 61.05 2yu4 h LYS 81 Cb -0.04 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.23 2yu4 h LYS 81 CO -0.03 0.00 0.56 -0.22 -2.09 0.00 0.00 179.45 177.68 2yu4 h LYS 82 N 0.00 0.51 -5.31 0.07 3.11 -1.41 -3.47 116.57 110.06 2yu4 h LYS 82 Ca 0.07 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2yu4 h LYS 82 Cb 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2yu4 h LYS 82 CO -0.00 0.34 -1.05 0.54 -2.81 0.00 0.00 179.45 176.47 2yu4 n ARG 83 N -4.53 -3.17 -2.61 1.90 5.12 -0.55 -5.00 116.66 107.82 2yu4 n ARG 83 Ca 0.17 2.58 -0.00 0.00 -1.93 0.00 0.00 57.85 58.67 2yu4 n ARG 83 Cb 0.57 -4.69 0.06 0.00 -1.16 0.00 0.00 32.46 27.23 2yu4 n ARG 83 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2yu4 n HIS 84 N 0.93 0.34 0.06 -1.55 -0.00 -1.26 -4.90 115.22 108.85 2yu4 n HIS 84 Ca -0.05 -1.83 0.00 0.00 0.46 0.00 0.00 57.72 56.30 2yu4 n HIS 84 Cb 0.14 0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 2yu4 n HIS 84 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2yu4 n ARG 85 N -0.69 0.00 -0.00 1.57 3.00 -1.26 -5.04 116.66 114.24 2yu4 n ARG 85 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2yu4 n ARG 85 Cb 0.85 -0.05 -0.00 0.00 0.00 0.00 0.00 32.46 33.25 2yu4 n ARG 85 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2yu4 n HIS 86 N -2.98 0.01 -3.63 -0.14 8.25 -1.26 -5.01 115.22 110.46 2yu4 n HIS 86 Ca 0.00 0.01 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2yu4 n HIS 86 Cb 0.00 -0.13 0.05 0.00 1.12 0.00 0.00 29.99 31.03 2yu4 n HIS 86 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2yu4 n SER 87 N -2.45 -1.52 -2.70 0.41 2.88 -1.26 -4.93 113.62 104.05 2yu4 n SER 87 Ca -0.00 -0.76 -0.06 0.00 -1.33 0.00 0.00 58.87 56.71 2yu4 n SER 87 Cb 0.01 -4.35 0.07 0.00 -0.75 0.00 0.00 64.21 59.19 2yu4 n SER 87 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2yu4 n GLU 88 N -4.25 0.46 -3.53 -1.46 4.07 -1.26 -5.12 120.64 109.56 2yu4 n GLU 88 Ca -0.29 -1.21 -0.24 0.00 -0.06 0.00 0.00 57.16 55.36 2yu4 n GLU 88 Cb 0.67 -0.76 -0.14 0.00 -0.06 0.00 0.00 31.44 31.15 2yu4 n GLU 88 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2yu4 s SER 89 N -0.89 2.44 -0.83 4.31 0.01 -1.26 -5.06 113.70 112.42 2yu4 s SER 89 Ca 0.27 -0.78 0.02 0.00 1.31 0.00 0.00 55.95 56.76 2yu4 s SER 89 Cb 0.23 -0.03 0.26 0.00 0.21 0.00 0.00 66.02 66.70 2yu4 s SER 89 CO -0.15 -0.38 0.97 0.61 0.41 0.00 0.00 173.24 174.70 2yu4 n GLY 90 N 5.28 4.78 3.77 3.44 0.00 -1.26 -5.07 105.19 116.13 2yu4 n GLY 90 Ca -0.06 -2.71 -0.38 0.00 0.00 0.00 0.00 46.02 42.88 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 -2.35 4.03 0.33 1.61 0.04 -1.26 -4.94 135.00 132.46 2yu4 s PRO 91 Ca 0.34 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.35 2yu4 s PRO 91 Cb 0.07 -2.68 0.57 0.00 0.04 0.00 0.00 34.50 32.50 2yu4 s PRO 91 CO -0.00 -0.35 1.77 0.77 0.04 0.00 0.00 177.00 179.23 2yu4 h SER 92 N 2.63 0.21 -3.30 6.66 0.02 -2.08 -3.40 113.55 114.29 2yu4 h SER 92 Ca -0.49 -0.07 -0.52 0.00 -0.84 0.00 0.00 61.79 59.87 2yu4 h SER 92 Cb 1.24 -0.06 -0.38 0.00 0.14 0.00 0.00 62.40 63.34 2yu4 h SER 92 CO 0.62 0.54 -0.78 -0.55 -1.14 0.00 0.00 176.83 175.52 2yu4 s SER 93 N -6.88 2.63 0.00 3.07 0.15 -1.26 -5.36 113.70 106.05 2yu4 s SER 93 Ca -0.04 -0.61 0.09 0.00 0.70 0.00 0.00 55.95 56.09 2yu4 s SER 93 Cb 0.14 -0.73 0.07 0.00 -1.71 0.00 0.00 66.02 63.79 2yu4 s SER 93 CO 0.75 -0.22 0.79 0.61 1.20 0.00 0.00 173.24 176.37