#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 0.80 -0.30 1.61 0.01 -1.26 -5.07 113.70 109.49 2yu4 s SER 2 Ca 0.00 -0.87 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 2yu4 s SER 2 Cb 0.00 0.86 0.18 0.00 0.21 0.00 0.00 66.02 67.26 2yu4 s SER 2 CO 0.00 -0.32 1.06 -0.55 0.41 0.00 0.00 173.24 173.83 2yu4 s SER 3 N 2.11 -0.44 0.00 2.44 0.15 -1.26 -4.97 113.70 111.74 2yu4 s SER 3 Ca 0.12 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2yu4 s SER 3 Cb -0.13 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 2yu4 s SER 3 CO -0.21 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2yu4 n GLY 4 N 5.39 2.14 3.69 9.45 0.00 -1.26 -5.06 105.19 119.54 2yu4 n GLY 4 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2yu4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu4 n SER 5 N 0.00 3.96 0.00 1.61 7.64 -1.26 -4.79 113.62 120.78 2yu4 n SER 5 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2yu4 n SER 5 Cb 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 2yu4 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu4 n SER 6 N 5.53 0.05 0.00 6.43 2.88 -1.26 -5.08 113.62 122.18 2yu4 n SER 6 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2yu4 n SER 6 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2yu4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu4 n GLY 7 N 1.63 1.54 2.69 0.46 0.00 -1.26 -5.03 105.19 105.22 2yu4 n GLY 7 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.38 -0.06 1.61 0.08 -1.26 -5.12 117.98 113.61 2yu4 s PHE 8 Ca 0.00 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 56.95 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 -0.37 -0.22 0.95 -0.10 0.00 0.00 175.22 175.48 2yu4 s THR 9 N 2.07 1.82 0.01 0.64 -4.23 -1.26 -2.08 115.64 112.61 2yu4 s THR 9 Ca 0.03 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 2yu4 s THR 9 Cb -0.14 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 2yu4 s THR 9 CO -0.06 0.51 1.01 0.00 -0.54 0.00 0.00 174.62 175.54 2yu4 n PRO 11 N 3.89 0.09 -0.09 0.00 -0.04 -1.26 0.03 135.00 137.63 2yu4 n PRO 11 Ca 0.06 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2yu4 n PRO 11 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.40 1.48 1.07 0.52 5.41 -1.26 -4.50 119.36 120.68 2yu4 n ILE 12 Ca 0.05 0.14 0.14 0.00 1.00 0.00 0.00 62.75 64.08 2yu4 n ILE 12 Cb 0.14 -2.35 0.63 0.00 -0.71 0.00 0.00 39.64 37.36 2yu4 n ILE 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2yu4 n THR 13 N -4.49 0.00 -2.04 1.39 -2.24 -1.23 -4.90 114.28 100.77 2yu4 n THR 13 Ca -0.14 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 2yu4 n THR 13 Cb 0.47 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2yu4 n THR 13 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2yu4 n LYS 14 N -1.46 -1.73 -2.48 -0.78 4.01 0.10 -4.92 118.16 110.90 2yu4 n LYS 14 Ca 0.08 0.85 -0.05 0.00 -0.51 0.00 0.00 58.31 58.68 2yu4 n LYS 14 Cb 0.32 -5.34 -0.01 0.00 -0.51 0.00 0.00 35.03 29.49 2yu4 n LYS 14 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2yu4 n GLU 15 N -2.56 0.96 -1.88 1.97 1.02 -1.23 -4.86 120.64 114.06 2yu4 n GLU 15 Ca -0.18 -0.69 -0.33 0.00 -0.02 0.00 0.00 57.16 55.94 2yu4 n GLU 15 Cb 0.60 0.35 0.04 0.00 -0.02 0.00 0.00 31.44 32.41 2yu4 n GLU 15 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2yu4 s GLU 16 N -2.31 2.95 -0.02 3.49 2.12 -1.26 -0.10 118.70 123.57 2yu4 s GLU 16 Ca 0.04 1.42 0.00 0.00 0.36 0.00 0.00 54.97 56.79 2yu4 s GLU 16 Cb 0.00 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 2yu4 s GLU 16 CO 0.03 -1.14 0.02 -1.64 -0.54 0.00 0.00 175.26 171.99 2yu4 s MET 17 N -3.93 2.89 -0.02 4.30 -1.94 -0.88 -4.67 119.30 115.05 2yu4 s MET 17 Ca 0.68 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 54.13 2yu4 s MET 17 Cb -0.21 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2yu4 s MET 17 CO 0.38 0.64 -0.00 1.63 -0.01 0.00 0.00 175.02 177.66 2yu4 n LYS 18 N 1.48 2.43 -3.81 2.03 4.76 -1.26 -4.89 118.16 118.90 2yu4 n LYS 18 Ca -0.15 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.01 2yu4 n LYS 18 Cb 0.53 -1.05 -0.12 0.00 -1.84 0.00 0.00 35.03 32.55 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 -2.05 2.01 0.01 1.97 3.01 -1.26 -5.01 119.74 118.42 2yu4 s LYS 19 Ca -0.02 -2.88 -0.30 0.00 -1.01 0.00 0.00 55.97 51.76 2yu4 s LYS 19 Cb 0.01 -2.98 -0.06 0.00 -1.01 0.00 0.00 37.83 33.78 2yu4 s LYS 19 CO 0.07 -1.25 1.44 -1.25 0.51 0.00 0.00 175.35 174.87 2yu4 s PRO 20 N -0.81 4.27 -0.12 -1.68 0.04 -1.26 -1.22 135.00 134.22 2yu4 s PRO 20 Ca 0.24 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.33 2yu4 s PRO 20 Cb -0.10 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.88 2yu4 s PRO 20 CO -0.12 -0.60 -0.20 0.14 0.04 0.00 0.00 177.00 176.26 2yu4 s VAL 21 N 2.40 1.85 0.03 -0.36 -7.23 0.89 -1.94 120.40 116.05 2yu4 s VAL 21 Ca 0.65 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.90 2yu4 s VAL 21 Cb -0.33 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 2yu4 s VAL 21 CO 0.27 0.51 0.28 -0.75 -0.31 0.00 0.00 175.10 175.10 2yu4 s LYS 22 N 0.75 3.57 -0.03 4.82 2.20 0.79 -1.67 119.74 130.17 2yu4 s LYS 22 Ca -0.10 -0.12 -0.05 0.00 -0.36 0.00 0.00 55.97 55.33 2yu4 s LYS 22 Cb -0.16 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2yu4 s LYS 22 CO 0.01 0.62 0.21 1.21 -0.36 0.00 0.00 175.35 177.03 2yu4 s ASN 23 N -1.91 6.43 0.34 1.43 3.84 -1.01 -2.12 114.94 121.93 2yu4 s ASN 23 Ca 0.30 0.46 0.21 0.00 0.21 0.00 0.00 52.86 54.05 2yu4 s ASN 23 Cb -0.13 -2.05 0.19 0.00 -0.55 0.00 0.00 41.25 38.71 2yu4 s ASN 23 CO 0.19 0.29 1.42 0.07 -2.79 0.00 0.00 177.10 176.28 2yu4 h LYS 24 N 4.14 0.00 0.10 0.43 2.10 -1.92 -2.64 116.57 118.78 2yu4 h LYS 24 Ca -0.51 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2yu4 h LYS 24 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2yu4 h LYS 24 CO 0.65 0.11 -0.05 0.28 -2.00 0.00 0.00 179.45 178.44 2yu4 h VAL 25 N 0.00 0.00 0.00 0.07 2.07 -1.94 -3.43 116.25 113.02 2yu4 h VAL 25 Ca -0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2yu4 h VAL 25 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2yu4 h VAL 25 CO 0.01 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.32 2yu4 n GLY 27 N 1.69 1.52 3.23 0.00 0.00 -0.99 -5.01 105.19 105.63 2yu4 n GLY 27 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.29 -4.34 1.61 8.25 -1.26 -4.27 115.22 112.92 2yu4 n HIS 28 Ca 0.00 -0.22 -0.18 0.00 -0.26 0.00 0.00 57.72 57.06 2yu4 n HIS 28 Cb 0.00 -1.48 -0.14 0.00 1.12 0.00 0.00 29.99 29.49 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 -2.19 0.77 0.32 1.59 -4.23 -1.26 -2.41 115.64 108.23 2yu4 s THR 29 Ca 0.56 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 2yu4 s THR 29 Cb -0.13 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.02 2yu4 s THR 29 CO 0.55 0.11 0.35 -0.31 -0.54 0.00 0.00 174.62 174.78 2yu4 s TYR 30 N -0.43 1.34 0.23 3.99 2.02 -0.67 -4.91 117.35 118.91 2yu4 s TYR 30 Ca 0.02 -1.44 -0.17 0.00 -0.37 0.00 0.00 57.07 55.11 2yu4 s TYR 30 Cb -0.05 -0.40 -0.08 0.00 -0.40 0.00 0.00 41.96 41.03 2yu4 s TYR 30 CO 0.00 -0.96 0.69 -2.00 -1.57 0.00 0.00 175.55 171.71 2yu4 s GLU 31 N -3.39 4.14 0.02 -0.62 2.12 -1.26 -0.08 118.70 119.62 2yu4 s GLU 31 Ca 0.36 0.74 -0.07 0.00 0.36 0.00 0.00 54.97 56.36 2yu4 s GLU 31 Cb 0.02 -2.79 -0.03 0.00 0.26 0.00 0.00 34.13 31.58 2yu4 s GLU 31 CO 0.22 0.36 1.10 1.49 -0.54 0.00 0.00 175.26 177.89 2yu4 h GLU 32 N 3.19 -0.17 -0.95 4.30 4.81 -1.54 0.23 114.58 124.45 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 -0.11 0.68 -0.44 -0.73 0.00 0.00 179.01 179.06 2yu4 h ASP 33 N -0.18 0.04 0.44 1.04 3.32 -1.95 0.30 116.42 119.43 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2yu4 h ASP 33 Cb 0.16 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 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 1.53 -0.71 0.00 3.45 0.00 -1.77 0.25 119.26 122.02 2yu4 h ALA 34 Ca 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2yu4 h ALA 34 Cb 1.76 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2yu4 h ALA 34 CO -0.03 -0.67 -0.01 0.97 0.00 0.00 0.00 179.25 179.51 2yu4 h ILE 35 N -0.93 0.06 0.18 0.00 6.09 0.09 0.26 117.51 123.26 2yu4 h ILE 35 Ca -0.06 -0.18 -0.34 0.00 -1.37 0.00 0.00 64.86 62.91 2yu4 h ILE 35 Cb 0.45 1.16 0.01 0.00 0.47 0.00 0.00 36.82 38.91 2yu4 h ILE 35 CO 0.10 0.01 -1.70 0.58 -3.07 0.00 0.00 178.15 174.07 2yu4 h VAL 36 N 0.00 0.99 0.00 2.19 2.07 -0.41 -3.08 116.25 118.01 2yu4 h VAL 36 Ca -0.00 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 2yu4 h VAL 36 Cb 0.16 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2yu4 h VAL 36 CO 0.00 0.85 -0.55 0.08 0.02 0.00 0.00 177.57 177.96 2yu4 h ARG 37 N 0.10 0.00 0.17 1.57 0.11 0.07 -3.06 114.38 113.34 2yu4 h ARG 37 Ca -0.32 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.75 2yu4 h ARG 37 Cb 2.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.17 2yu4 h ARG 37 CO 0.18 0.48 -0.08 1.98 0.10 0.00 0.00 179.97 182.62 2yu4 h MET 38 N 0.00 -0.22 -0.39 0.08 4.05 -0.63 -1.96 114.93 115.85 2yu4 h MET 38 Ca -0.01 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 2yu4 h MET 38 Cb 1.39 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 32.19 2yu4 h MET 38 CO 0.06 0.17 0.13 0.82 0.23 0.00 0.00 176.91 178.32 2yu4 h ILE 39 N -0.92 0.88 -0.48 1.77 2.04 -1.67 0.26 117.51 119.40 2yu4 h ILE 39 Ca -0.02 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2yu4 h ILE 39 Cb 0.50 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2yu4 h ILE 39 CO 0.04 0.05 0.15 -0.33 0.00 0.00 0.00 178.15 178.06 2yu4 h GLU 40 N 0.29 0.71 0.00 2.37 4.39 -1.64 0.35 114.58 121.05 2yu4 h GLU 40 Ca 0.18 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 2yu4 h GLU 40 Cb 0.16 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2yu4 h GLU 40 CO -0.19 0.62 -0.33 1.03 -1.16 0.00 0.00 179.01 178.98 2yu4 h SER 41 N 0.69 0.00 0.00 1.42 0.87 -0.51 -2.95 113.55 113.08 2yu4 h SER 41 Ca 0.16 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2yu4 h SER 41 Cb 0.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2yu4 h SER 41 CO -0.01 0.33 -0.13 0.03 -0.53 0.00 0.00 176.83 176.53 2yu4 h ARG 42 N 0.00 0.00 -0.42 2.24 2.47 0.28 -3.25 114.38 115.70 2yu4 h ARG 42 Ca -0.00 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 2yu4 h ARG 42 Cb 1.07 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.31 2yu4 h ARG 42 CO 0.04 0.47 -0.08 1.96 0.56 0.00 0.00 179.97 182.92 2yu4 h GLN 43 N -1.00 0.02 -0.17 0.04 1.08 -1.06 0.35 115.11 114.37 2yu4 h GLN 43 Ca -0.02 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 2yu4 h GLN 43 Cb 0.53 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2yu4 h GLN 43 CO -0.01 0.01 0.21 1.57 -0.95 0.00 0.00 178.83 179.66 2yu4 h LYS 44 N 0.02 0.00 -0.59 1.46 5.09 -1.68 0.22 116.57 121.09 2yu4 h LYS 44 Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.75 2yu4 h LYS 44 Cb 0.31 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 32.52 2yu4 h LYS 44 CO -0.42 0.00 0.18 0.54 -2.09 0.00 0.00 179.45 177.66 2yu4 n ARG 45 N -3.68 3.04 -3.90 0.07 1.74 0.84 -4.93 116.66 109.84 2yu4 n ARG 45 Ca 0.01 -3.06 -0.28 0.00 -0.77 0.00 0.00 57.85 53.76 2yu4 n ARG 45 Cb 0.33 -2.06 0.01 0.00 -1.02 0.00 0.00 32.46 29.72 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yu4 n LYS 46 N -0.52 -4.73 -4.18 5.56 4.01 0.78 -4.97 118.16 114.11 2yu4 n LYS 46 Ca 0.37 0.55 -0.26 0.00 -0.51 0.00 0.00 58.31 58.46 2yu4 n LYS 46 Cb 1.25 -5.20 -0.06 0.00 -0.51 0.00 0.00 35.03 30.51 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2yu4 n LYS 47 N -4.49 0.94 -4.17 1.97 5.02 0.87 -4.98 118.16 113.32 2yu4 n LYS 47 Ca -0.11 -3.03 -0.18 0.00 -2.02 0.00 0.00 58.31 52.97 2yu4 n LYS 47 Cb 0.59 0.92 -0.12 0.00 -0.02 0.00 0.00 35.03 36.40 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 -3.48 0.82 -0.13 1.97 -2.85 -1.26 -3.85 119.74 110.95 2yu4 s LYS 48 Ca 0.02 -0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 53.74 2yu4 s LYS 48 Cb 0.00 -0.82 -0.01 0.00 -2.06 0.00 0.00 37.83 34.94 2yu4 s LYS 48 CO 0.02 0.18 1.00 0.00 0.10 0.00 0.00 175.35 176.64 2yu4 s ALA 49 N -1.30 3.45 0.16 0.59 0.00 -1.26 -4.99 121.76 118.41 2yu4 s ALA 49 Ca -0.02 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.33 2yu4 s ALA 49 Cb -0.10 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2yu4 s ALA 49 CO 0.02 -0.67 -0.15 1.52 0.00 0.00 0.00 175.76 176.48 2yu4 s TYR 50 N 2.19 1.57 -0.58 0.00 -0.85 -1.26 -1.18 117.35 117.23 2yu4 s TYR 50 Ca 0.47 -0.56 -0.31 0.00 -0.52 0.00 0.00 57.07 56.15 2yu4 s TYR 50 Cb -0.18 -0.78 -0.13 0.00 0.38 0.00 0.00 41.96 41.26 2yu4 s TYR 50 CO 0.16 0.24 2.42 0.00 -1.52 0.00 0.00 175.55 176.84 2yu4 n PRO 52 N 8.57 0.19 -1.79 0.00 -0.04 -1.26 -4.68 135.00 136.00 2yu4 n PRO 52 Ca 0.47 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.96 2yu4 n PRO 52 Cb 0.29 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 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 -3.31 2.64 -0.58 0.54 2.00 -1.26 -4.86 119.66 114.83 2yu4 s GLN 53 Ca 0.04 1.28 -0.30 0.00 -2.00 0.00 0.00 55.36 54.38 2yu4 s GLN 53 Cb 0.09 -4.42 -0.12 0.00 0.80 0.00 0.00 33.01 29.35 2yu4 s GLN 53 CO 0.38 -2.67 2.42 -0.89 -0.50 0.00 0.00 175.29 174.03 2yu4 n ILE 54 N 7.63 0.03 0.00 -2.34 5.41 -1.26 -1.33 119.36 127.50 2yu4 n ILE 54 Ca 0.28 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.63 2yu4 n ILE 54 Cb 0.51 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 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 6.31 1.10 3.86 7.39 0.00 -1.26 -5.13 105.19 117.45 2yu4 n GLY 55 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.99 0.46 -4.62 0.00 2.88 -1.26 -4.99 113.62 105.09 2yu4 n SER 57 Ca 0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 2yu4 n SER 57 Cb 0.54 1.55 0.08 0.00 -0.75 0.00 0.00 64.21 65.63 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 -2.38 0.73 -2.64 0.66 -0.00 -1.26 -4.96 115.22 105.38 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 0.74 -2.09 0.08 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 -2.45 0.39 -3.57 3.57 -2.24 -1.26 -3.38 114.28 105.33 2yu4 n THR 59 Ca 0.13 -1.49 -0.29 0.00 -2.27 0.00 0.00 64.05 60.13 2yu4 n THR 59 Cb 0.49 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.62 2yu4 n THR 59 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2yu4 s ASP 60 N -2.00 3.61 -0.05 3.42 1.11 -1.25 -4.56 116.67 116.95 2yu4 s ASP 60 Ca 0.15 -1.41 0.04 0.00 0.18 0.00 0.00 52.55 51.51 2yu4 s ASP 60 Cb 0.36 -0.46 0.00 0.00 1.07 0.00 0.00 42.92 43.89 2yu4 s ASP 60 CO -0.09 -0.43 -0.16 -0.63 1.18 0.00 0.00 175.17 175.04 2yu4 s ILE 61 N 1.95 1.36 0.02 0.77 1.01 -0.33 -4.90 121.20 121.08 2yu4 s ILE 61 Ca 0.10 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.17 2yu4 s ILE 61 Cb -0.17 -1.19 -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 0.27 1.55 0.53 2.79 0.52 -1.26 -4.41 118.95 118.94 2yu4 s ARG 62 Ca -0.09 -0.90 0.23 0.00 -0.52 0.00 0.00 55.73 54.46 2yu4 s ARG 62 Cb -0.13 -1.61 1.38 0.00 0.52 0.00 0.00 34.95 35.11 2yu4 s ARG 62 CO 0.03 0.42 2.04 -0.22 0.02 0.00 0.00 175.30 177.60 2yu4 h LYS 63 N 5.12 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.13 2yu4 h LYS 63 Ca -0.42 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2yu4 h LYS 63 Cb 1.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2yu4 h LYS 63 CO 0.45 0.00 -0.12 1.03 -2.27 0.00 0.00 179.45 178.54 2yu4 h SER 64 N 0.00 0.00 -0.64 4.20 0.87 -2.04 -2.84 113.55 113.10 2yu4 h SER 64 Ca 0.17 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.50 2yu4 h SER 64 Cb 0.71 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.53 2yu4 h SER 64 CO -0.00 0.12 0.29 0.47 -0.53 0.00 0.00 176.83 177.18 2yu4 n ASP 65 N -3.22 4.08 -4.34 6.23 8.00 0.85 -4.87 116.55 123.28 2yu4 n ASP 65 Ca 0.01 -3.03 -0.34 0.00 0.71 0.00 0.00 54.79 52.14 2yu4 n ASP 65 Cb 0.41 -0.71 -0.14 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 -2.40 2.85 0.11 0.64 1.43 -1.07 -3.20 118.68 117.04 2yu4 s LEU 66 Ca 0.44 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2yu4 s LEU 66 Cb 0.35 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2yu4 s LEU 66 CO 0.10 0.06 -0.05 0.27 0.23 0.00 0.00 176.35 176.96 2yu4 s ILE 67 N 1.02 0.68 0.09 -0.59 -4.36 -0.90 -5.01 121.20 112.13 2yu4 s ILE 67 Ca -0.00 -1.94 -0.26 0.00 -0.26 0.00 0.00 60.65 58.18 2yu4 s ILE 67 Cb -0.15 -1.76 -0.06 0.00 1.25 0.00 0.00 42.46 41.74 2yu4 s ILE 67 CO -0.01 -0.80 0.81 -1.10 0.24 0.00 0.00 174.94 174.08 2yu4 s GLN 68 N -3.85 4.56 -0.58 0.37 -0.21 -1.26 -0.15 119.66 118.54 2yu4 s GLN 68 Ca 0.14 1.17 -0.15 0.00 0.02 0.00 0.00 55.36 56.54 2yu4 s GLN 68 Cb 0.05 -3.34 0.14 0.00 1.00 0.00 0.00 33.01 30.86 2yu4 s GLN 68 CO -0.03 0.33 0.53 0.34 -2.12 0.00 0.00 175.29 174.33 2yu4 s ASP 69 N -0.28 6.22 0.15 5.90 2.15 -0.82 -4.75 116.67 125.24 2yu4 s ASP 69 Ca 0.40 -1.94 -0.16 0.00 0.43 0.00 0.00 52.55 51.27 2yu4 s ASP 69 Cb -0.22 -2.19 0.02 0.00 -0.30 0.00 0.00 42.92 40.23 2yu4 s ASP 69 CO 0.25 -0.80 1.77 -0.08 -0.17 0.00 0.00 175.17 176.15 2yu4 h GLU 70 N 8.67 0.58 -0.83 4.34 4.81 -1.96 0.26 114.58 130.45 2yu4 h GLU 70 Ca -0.23 -0.06 0.24 0.00 -0.13 0.00 0.00 59.36 59.18 2yu4 h GLU 70 Cb 1.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 2yu4 h GLU 70 CO 0.98 0.44 0.59 0.00 -0.73 0.00 0.00 179.01 180.29 2yu4 h ALA 71 N 1.11 2.76 0.07 2.92 0.00 -1.99 -0.27 119.26 123.86 2yu4 h ALA 71 Ca 0.15 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 2yu4 h ALA 71 Cb 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2yu4 h ALA 71 CO -0.03 -1.00 -2.08 -0.11 0.00 0.00 0.00 179.25 176.03 2yu4 n LEU 72 N -4.30 2.31 -0.29 0.00 0.00 -0.78 -3.64 117.00 110.30 2yu4 n LEU 72 Ca 0.17 0.15 0.01 0.00 0.00 0.00 0.00 56.01 56.34 2yu4 n LEU 72 Cb 0.89 -0.79 0.14 0.00 0.00 0.00 0.00 43.42 43.65 2yu4 n LEU 72 CO 0.38 0.79 1.16 0.03 0.00 0.00 0.00 177.39 179.75 2yu4 h ARG 73 N 0.04 0.85 -0.13 1.96 3.08 0.79 -1.54 114.38 119.42 2yu4 h ARG 73 Ca -0.44 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.41 2yu4 h ARG 73 Cb 2.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 2yu4 h ARG 73 CO 0.05 0.56 -0.53 0.00 -1.07 0.00 0.00 179.97 178.97 2yu4 h ARG 74 N 0.87 0.38 -0.04 0.04 3.08 -1.29 -3.09 114.38 114.34 2yu4 h ARG 74 Ca 0.36 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2yu4 h ARG 74 Cb 0.21 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2yu4 h ARG 74 CO -0.19 0.82 -0.07 0.00 -1.07 0.00 0.00 179.97 179.47 2yu4 h ALA 75 N 1.13 -0.03 -0.85 0.04 0.00 -1.36 -1.11 119.26 117.07 2yu4 h ALA 75 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2yu4 h ALA 75 Cb 1.04 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2yu4 h ALA 75 CO 0.09 -0.55 0.56 0.82 0.00 0.00 0.00 179.25 180.17 2yu4 h ILE 76 N -0.10 1.14 -0.07 0.00 2.04 -1.44 -1.28 117.51 117.80 2yu4 h ILE 76 Ca 0.04 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 2yu4 h ILE 76 Cb 0.16 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2yu4 h ILE 76 CO -0.10 0.19 -0.29 -0.33 0.00 0.00 0.00 178.15 177.62 2yu4 h GLU 77 N 1.06 0.14 0.00 2.37 5.08 -1.34 -1.68 114.58 120.21 2yu4 h GLU 77 Ca 0.34 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2yu4 h GLU 77 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2yu4 h GLU 77 CO -0.10 0.42 -0.17 -0.97 -1.00 0.00 0.00 179.01 177.19 2yu4 h ASN 78 N 0.12 0.00 0.40 1.42 -0.73 0.00 0.20 115.58 117.00 2yu4 h ASN 78 Ca 0.02 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.88 2yu4 h ASN 78 Cb 0.59 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.13 2yu4 h ASN 78 CO 0.04 0.17 -1.79 1.57 -0.37 0.00 0.00 177.43 177.06 2yu4 n HIS 79 N -3.82 1.02 0.05 0.67 -0.00 -0.89 -3.83 115.22 108.42 2yu4 n HIS 79 Ca -0.02 0.33 -0.21 0.00 0.46 0.00 0.00 57.72 58.29 2yu4 n HIS 79 Cb 0.27 -1.18 -0.11 0.00 -0.12 0.00 0.00 29.99 28.86 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 0.01 0.89 -0.32 0.26 -0.26 -1.01 -3.23 115.58 111.93 2yu4 h ASN 80 Ca -0.32 -0.76 0.01 0.00 -0.56 0.00 0.00 56.30 54.67 2yu4 h ASN 80 Cb 2.02 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 38.99 2yu4 h ASN 80 CO 0.08 1.54 0.21 0.07 -1.06 0.00 0.00 177.43 178.27 2yu4 h LYS 81 N 0.34 0.41 -0.43 0.81 5.09 -0.79 -1.27 116.57 120.74 2yu4 h LYS 81 Ca -0.14 -0.02 0.12 0.00 0.09 0.00 0.00 60.65 60.70 2yu4 h LYS 81 Cb 1.72 -0.09 -0.02 0.00 0.10 0.00 0.00 32.23 33.94 2yu4 h LYS 81 CO 0.21 0.27 0.37 0.87 -2.09 0.00 0.00 179.45 179.08 2yu4 h LYS 82 N 0.42 0.00 0.00 0.07 1.57 -1.66 -3.45 116.57 113.52 2yu4 h LYS 82 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2yu4 h LYS 82 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2yu4 h LYS 82 CO -0.03 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.39 2yu4 n ARG 83 N -4.03 0.00 -2.77 3.15 1.74 -0.48 -3.92 116.66 110.35 2yu4 n ARG 83 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2yu4 n ARG 83 Cb 0.56 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.01 2yu4 n ARG 83 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2yu4 s HIS 84 N 0.00 -0.48 -0.03 -1.55 3.76 -1.26 -5.04 115.29 110.69 2yu4 s HIS 84 Ca 0.00 -0.00 -0.08 0.00 -0.15 0.00 0.00 55.06 54.83 2yu4 s HIS 84 Cb 0.00 0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.75 2yu4 s HIS 84 CO 0.00 -0.34 -0.15 0.54 -0.85 0.00 0.00 174.74 173.94 2yu4 n ARG 85 N 3.40 0.23 -3.52 1.40 5.12 -1.25 -4.94 116.66 117.10 2yu4 n ARG 85 Ca 0.08 0.09 -0.27 0.00 -1.93 0.00 0.00 57.85 55.82 2yu4 n ARG 85 Cb 0.63 -0.88 -0.10 0.00 -1.16 0.00 0.00 32.46 30.95 2yu4 n ARG 85 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2yu4 n HIS 86 N -3.83 0.51 -4.24 -1.55 -0.00 -1.26 -5.10 115.22 99.75 2yu4 n HIS 86 Ca -0.06 -3.65 -0.15 0.00 0.46 0.00 0.00 57.72 54.31 2yu4 n HIS 86 Cb 0.23 -0.08 -0.09 0.00 -0.12 0.00 0.00 29.99 29.93 2yu4 n HIS 86 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2yu4 s SER 87 N -0.59 0.87 0.47 0.26 0.01 -1.26 -5.03 113.70 108.42 2yu4 s SER 87 Ca 0.31 -1.56 0.14 0.00 1.31 0.00 0.00 55.95 56.14 2yu4 s SER 87 Cb 0.03 0.46 1.10 0.00 0.21 0.00 0.00 66.02 67.83 2yu4 s SER 87 CO -0.18 -0.95 2.07 -0.08 0.41 0.00 0.00 173.24 174.52 2yu4 h GLU 88 N 2.39 0.26 -4.80 12.44 4.81 -2.03 -3.48 114.58 124.17 2yu4 h GLU 88 Ca -0.31 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2yu4 h GLU 88 Cb 1.24 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 2yu4 h GLU 88 CO 0.45 0.17 -1.27 0.43 -0.73 0.00 0.00 179.01 178.06 2yu4 n SER 89 N -4.49 -2.52 0.00 1.04 7.64 -1.26 -5.04 113.62 109.00 2yu4 n SER 89 Ca 0.03 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2yu4 n SER 89 Cb 0.20 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.57 2yu4 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu4 n GLY 90 N 1.25 -0.03 3.63 0.23 0.00 -1.26 -5.11 105.19 103.91 2yu4 n GLY 90 Ca -0.27 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 3.87 0.00 1.61 0.04 -1.26 -4.79 135.00 134.47 2yu4 s PRO 91 Ca 0.00 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2yu4 s PRO 91 Cb 0.00 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.60 2yu4 s PRO 91 CO 0.00 -1.20 0.97 0.45 0.04 0.00 0.00 177.00 177.26 2yu4 n SER 92 N 8.17 -0.50 -3.15 6.66 2.88 -1.26 -5.07 113.62 121.35 2yu4 n SER 92 Ca 0.18 -1.88 0.04 0.00 -1.33 0.00 0.00 58.87 55.88 2yu4 n SER 92 Cb 0.45 0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2yu4 n SER 92 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu4 s SER 93 N -1.06 -1.51 0.00 -3.46 0.15 -1.26 -5.33 113.70 101.22 2yu4 s SER 93 Ca 0.06 0.39 0.29 0.00 0.70 0.00 0.00 55.95 57.38 2yu4 s SER 93 Cb 0.07 2.04 1.21 0.00 -1.71 0.00 0.00 66.02 67.64 2yu4 s SER 93 CO -0.03 -0.28 1.84 0.61 1.20 0.00 0.00 173.24 176.58