#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 -1.26 -3.66 1.61 7.64 -1.26 -5.14 113.62 111.56 2yu4 n SER 2 Ca 0.00 -2.29 -0.05 0.00 1.01 0.00 0.00 58.87 57.55 2yu4 n SER 2 Cb 0.00 0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.83 2yu4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu4 s SER 3 N -1.42 -0.23 0.00 6.43 0.15 -1.26 -5.18 113.70 112.20 2yu4 s SER 3 Ca 0.15 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2yu4 s SER 3 Cb 0.43 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 2yu4 s SER 3 CO -0.11 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.20 2yu4 n GLY 4 N -0.39 -1.52 3.91 9.45 0.00 -1.26 -4.52 105.19 110.86 2yu4 n GLY 4 Ca -0.07 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.77 -0.00 1.61 7.64 -1.26 -4.90 113.62 111.94 2yu4 n SER 5 Ca 0.00 -0.78 -0.10 0.00 1.01 0.00 0.00 58.87 59.00 2yu4 n SER 5 Cb 0.00 -3.91 -0.08 0.00 -1.01 0.00 0.00 64.21 59.21 2yu4 n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yu4 h SER 6 N -2.10 -0.09 0.00 6.43 0.02 -2.06 -3.50 113.55 112.25 2yu4 h SER 6 Ca -0.58 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 59.88 2yu4 h SER 6 Cb 1.38 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2yu4 h SER 6 CO 0.67 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 2yu4 n GLY 7 N 1.05 0.88 2.77 -3.77 0.00 -1.26 -4.84 105.19 100.02 2yu4 n GLY 7 Ca -0.07 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 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 0.87 -0.04 1.61 0.40 -1.26 -5.11 117.98 114.44 2yu4 s PHE 8 Ca 0.00 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 2yu4 s PHE 8 Cb 0.00 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 2yu4 s PHE 8 CO 0.00 -0.44 -0.22 0.95 0.70 0.00 0.00 175.22 176.21 2yu4 s THR 9 N 1.91 1.82 -0.02 0.64 -4.23 -1.26 -1.78 115.64 112.72 2yu4 s THR 9 Ca 0.03 -0.95 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 2yu4 s THR 9 Cb -0.14 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 2yu4 s THR 9 CO -0.06 0.51 0.88 0.00 -0.54 0.00 0.00 174.62 175.40 2yu4 n PRO 11 N 3.81 0.07 -0.02 0.00 -0.04 -1.26 -0.36 135.00 137.20 2yu4 n PRO 11 Ca 0.03 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 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 -1.43 0.34 0.27 0.52 5.41 -1.26 -4.58 119.36 118.64 2yu4 n ILE 12 Ca 0.05 0.42 0.17 0.00 1.00 0.00 0.00 62.75 64.38 2yu4 n ILE 12 Cb 0.15 -1.70 0.66 0.00 -0.71 0.00 0.00 39.64 38.04 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 -0.23 0.05 -4.66 1.39 1.35 -1.97 -3.46 112.91 105.37 2yu4 h THR 13 Ca 0.00 -0.57 -0.33 0.00 -0.55 0.00 0.00 66.41 64.96 2yu4 h THR 13 Cb 0.22 1.54 0.10 0.00 -1.73 0.00 0.00 68.15 68.28 2yu4 h THR 13 CO 0.00 0.02 -0.54 0.29 -0.25 0.00 0.00 175.52 175.03 2yu4 n LYS 14 N -3.12 -5.93 -4.19 4.72 4.76 0.51 -5.00 118.16 109.91 2yu4 n LYS 14 Ca 0.01 0.70 -0.17 0.00 -2.87 0.00 0.00 58.31 55.97 2yu4 n LYS 14 Cb 0.32 -5.28 -0.06 0.00 -1.84 0.00 0.00 35.03 28.17 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 -5.93 1.80 0.57 1.97 2.02 -1.24 -4.88 118.70 113.00 2yu4 s GLU 15 Ca 0.42 -1.88 -0.21 0.00 0.02 0.00 0.00 54.97 53.32 2yu4 s GLU 15 Cb -0.19 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 2yu4 s GLU 15 CO 0.53 -0.70 1.32 -2.00 0.02 0.00 0.00 175.26 174.43 2yu4 s GLU 16 N -3.31 3.04 -0.09 1.61 2.12 -1.26 -0.70 118.70 120.11 2yu4 s GLU 16 Ca 0.36 2.14 -0.02 0.00 0.36 0.00 0.00 54.97 57.81 2yu4 s GLU 16 Cb 0.01 -2.15 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 2yu4 s GLU 16 CO 0.24 -1.24 0.00 -1.64 -0.54 0.00 0.00 175.26 172.08 2yu4 s MET 17 N -3.03 3.05 -0.03 4.30 -1.94 -0.73 -4.76 119.30 116.16 2yu4 s MET 17 Ca 0.74 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 54.34 2yu4 s MET 17 Cb -0.38 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 2yu4 s MET 17 CO 0.44 0.67 0.01 1.63 -0.01 0.00 0.00 175.02 177.76 2yu4 n LYS 18 N 2.25 3.39 -3.81 2.03 4.76 -1.26 -4.88 118.16 120.64 2yu4 n LYS 18 Ca -0.19 -0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 54.97 2yu4 n LYS 18 Cb 0.54 -1.09 -0.12 0.00 -1.84 0.00 0.00 35.03 32.51 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 -2.09 1.98 0.01 1.97 1.02 -1.26 -4.93 119.74 116.45 2yu4 s LYS 19 Ca -0.02 -2.85 -0.30 0.00 0.02 0.00 0.00 55.97 52.82 2yu4 s LYS 19 Cb 0.01 -2.96 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 2yu4 s LYS 19 CO 0.14 -1.25 1.44 -1.25 -0.92 0.00 0.00 175.35 173.51 2yu4 s PRO 20 N -0.77 4.27 -0.16 -1.68 0.04 -1.26 -1.44 135.00 134.01 2yu4 s PRO 20 Ca 0.23 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.31 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 -0.17 0.14 0.04 0.00 0.00 177.00 176.29 2yu4 s VAL 21 N 2.40 2.40 0.01 -0.36 -7.23 0.88 -2.26 120.40 116.23 2yu4 s VAL 21 Ca 0.65 -0.85 -0.10 0.00 -1.81 0.00 0.00 61.98 59.88 2yu4 s VAL 21 Cb -0.33 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2yu4 s VAL 21 CO 0.27 0.52 0.33 -0.75 -0.31 0.00 0.00 175.10 175.17 2yu4 s LYS 22 N 0.99 3.71 0.26 4.82 2.20 -0.34 -1.75 119.74 129.62 2yu4 s LYS 22 Ca -0.02 0.13 -0.09 0.00 -0.36 0.00 0.00 55.97 55.62 2yu4 s LYS 22 Cb -0.15 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2yu4 s LYS 22 CO -0.04 0.65 0.58 1.21 -0.36 0.00 0.00 175.35 177.39 2yu4 s ASN 23 N -1.47 6.59 0.16 1.43 3.84 -0.97 -1.62 114.94 122.89 2yu4 s ASN 23 Ca 0.27 0.92 0.18 0.00 0.21 0.00 0.00 52.86 54.44 2yu4 s ASN 23 Cb -0.14 -2.23 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 2yu4 s ASN 23 CO 0.14 -0.13 1.05 0.11 -2.79 0.00 0.00 177.10 175.48 2yu4 h LYS 24 N 2.25 0.00 0.00 0.43 1.57 -1.53 -3.10 116.57 116.19 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 0.68 0.25 -0.00 0.28 -0.57 0.00 0.00 179.45 180.09 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.93 -3.44 116.25 113.46 2yu4 h VAL 25 Ca -0.08 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2yu4 h VAL 25 Cb 1.38 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2yu4 h VAL 25 CO 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 2yu4 n GLY 27 N 1.88 1.37 3.24 0.00 0.00 -1.17 -4.99 105.19 105.51 2yu4 n GLY 27 Ca -0.01 0.00 -0.28 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 -1.94 -4.54 1.61 8.25 -1.26 -4.21 115.22 113.12 2yu4 n HIS 28 Ca 0.00 -0.08 -0.21 0.00 -0.26 0.00 0.00 57.72 57.17 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 0.99 0.64 0.00 0.00 176.34 177.97 2yu4 s THR 29 N -2.21 0.97 0.31 1.59 2.01 -1.26 -2.30 115.64 114.74 2yu4 s THR 29 Ca 0.55 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2yu4 s THR 29 Cb -0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2yu4 s THR 29 CO 0.58 0.28 0.28 -0.31 -0.69 0.00 0.00 174.62 174.76 2yu4 s TYR 30 N -0.20 1.54 0.27 4.92 2.02 -0.72 -4.90 117.35 120.28 2yu4 s TYR 30 Ca 0.03 -1.55 -0.20 0.00 -0.37 0.00 0.00 57.07 54.99 2yu4 s TYR 30 Cb -0.06 -0.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.83 2yu4 s TYR 30 CO -0.00 -0.87 0.77 -2.00 -1.57 0.00 0.00 175.55 171.88 2yu4 s GLU 31 N -3.52 4.24 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.58 2yu4 s GLU 31 Ca 0.39 0.90 -0.07 0.00 0.36 0.00 0.00 54.97 56.55 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 0.29 1.11 1.49 -0.54 0.00 0.00 175.26 177.85 2yu4 h GLU 32 N 3.01 -0.18 -0.94 4.30 4.81 -1.62 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 0.04 0.45 1.04 5.19 -1.95 0.29 116.42 121.30 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2yu4 h ASP 33 Cb 0.16 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2yu4 h ASP 33 CO -0.02 0.01 -0.22 0.00 -3.12 0.00 0.00 179.24 175.90 2yu4 h ALA 34 N 1.54 -0.73 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 19.77 2yu4 h ALA 34 CO -0.02 -0.68 -0.01 0.97 0.00 0.00 0.00 179.25 179.50 2yu4 h ILE 35 N -0.95 0.08 0.16 0.00 6.09 0.08 0.26 117.51 123.23 2yu4 h ILE 35 Ca -0.06 -0.19 -0.33 0.00 -1.37 0.00 0.00 64.86 62.90 2yu4 h ILE 35 Cb 0.46 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.93 2yu4 h ILE 35 CO 0.10 0.01 -1.67 0.58 -3.07 0.00 0.00 178.15 174.11 2yu4 h VAL 36 N 0.00 1.02 0.00 2.19 2.07 -0.42 -3.08 116.25 118.03 2yu4 h VAL 36 Ca -0.00 -2.62 -0.09 0.00 0.82 0.00 0.00 66.70 64.81 2yu4 h VAL 36 Cb 0.17 2.77 -0.01 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 0.00 177.57 177.94 2yu4 h ARG 37 N 0.09 0.00 0.13 1.57 0.11 0.08 -3.11 114.38 113.25 2yu4 h ARG 37 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 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 0.18 0.38 -0.06 1.98 0.10 0.00 0.00 179.97 182.54 2yu4 h MET 38 N 0.00 -0.17 -0.97 0.08 4.05 -0.62 -1.38 114.93 115.92 2yu4 h MET 38 Ca -0.02 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2yu4 h MET 38 Cb 1.34 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 32.11 2yu4 h MET 38 CO 0.05 0.28 0.63 0.82 0.23 0.00 0.00 176.91 178.92 2yu4 h ILE 39 N -0.89 1.07 -0.14 1.77 2.04 -1.67 0.26 117.51 119.95 2yu4 h ILE 39 Ca -0.02 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.29 2yu4 h ILE 39 Cb 0.53 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2yu4 h ILE 39 CO 0.03 0.20 -0.61 -0.33 0.00 0.00 0.00 178.15 177.45 2yu4 h GLU 40 N 1.12 0.49 0.00 2.37 4.39 -1.62 -1.27 114.58 120.06 2yu4 h GLU 40 Ca 0.42 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 2yu4 h GLU 40 Cb 0.20 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2yu4 h GLU 40 CO -0.17 0.95 -0.30 1.03 -1.16 0.00 0.00 179.01 179.36 2yu4 h SER 41 N 0.37 0.00 0.00 1.42 0.87 -0.28 -2.99 113.55 112.94 2yu4 h SER 41 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2yu4 h SER 41 Cb 1.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2yu4 h SER 41 CO 0.11 0.30 -0.27 0.03 -0.53 0.00 0.00 176.83 176.47 2yu4 h ARG 42 N 0.00 0.00 -0.41 2.24 2.47 -0.38 -3.27 114.38 115.03 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 1.01 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.26 2yu4 h ARG 42 CO 0.04 0.74 -0.10 1.96 0.56 0.00 0.00 179.97 183.18 2yu4 h GLN 43 N -1.00 0.01 -0.14 0.04 4.20 -1.32 0.35 115.11 117.24 2yu4 h GLN 43 Ca -0.07 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.68 2yu4 h GLN 43 Cb 0.83 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2yu4 h GLN 43 CO -0.04 0.00 0.19 1.57 -0.67 0.00 0.00 178.83 179.88 2yu4 h LYS 44 N 0.01 0.00 -0.58 1.46 5.09 -1.69 0.23 116.57 121.09 2yu4 h LYS 44 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.80 2yu4 h LYS 44 Cb 0.30 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.55 2yu4 h LYS 44 CO -0.42 0.00 0.14 0.54 -2.09 0.00 0.00 179.45 177.63 2yu4 n ARG 45 N -3.63 3.52 -3.29 0.07 5.12 0.84 -4.92 116.66 114.37 2yu4 n ARG 45 Ca 0.01 -3.06 -0.23 0.00 -1.93 0.00 0.00 57.85 52.63 2yu4 n ARG 45 Cb 0.29 -2.11 0.01 0.00 -1.16 0.00 0.00 32.46 29.49 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 -0.24 -3.76 -2.59 5.56 5.02 0.80 -4.95 118.16 117.99 2yu4 n LYS 46 Ca 0.34 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 57.09 2yu4 n LYS 46 Cb 1.23 -5.32 -0.00 0.00 -0.02 0.00 0.00 35.03 30.92 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 -3.81 1.13 -4.16 1.97 5.02 0.85 -4.98 118.16 114.18 2yu4 n LYS 47 Ca -0.04 -1.59 -0.16 0.00 -2.02 0.00 0.00 58.31 54.50 2yu4 n LYS 47 Cb 0.56 0.18 -0.11 0.00 -0.02 0.00 0.00 35.03 35.64 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 -3.03 0.79 -0.25 1.97 -2.85 -1.26 -4.05 119.74 111.06 2yu4 s LYS 48 Ca 0.14 -1.00 -0.28 0.00 -1.00 0.00 0.00 55.97 53.83 2yu4 s LYS 48 Cb -0.01 -0.66 0.01 0.00 -2.06 0.00 0.00 37.83 35.11 2yu4 s LYS 48 CO 0.09 0.13 0.99 0.00 0.10 0.00 0.00 175.35 176.66 2yu4 s ALA 49 N -1.68 3.63 0.20 0.59 0.00 -1.26 -4.99 121.76 118.25 2yu4 s ALA 49 Ca -0.00 0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.10 2yu4 s ALA 49 Cb -0.08 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2yu4 s ALA 49 CO 0.01 -1.12 -0.21 1.52 0.00 0.00 0.00 175.76 175.96 2yu4 s TYR 50 N 3.21 2.15 -0.58 0.00 1.13 -1.26 -0.51 117.35 121.48 2yu4 s TYR 50 Ca 0.42 -0.39 -0.31 0.00 -1.41 0.00 0.00 57.07 55.38 2yu4 s TYR 50 Cb -0.14 -1.04 -0.13 0.00 -1.10 0.00 0.00 41.96 39.55 2yu4 s TYR 50 CO 0.08 0.49 2.42 0.00 -2.51 0.00 0.00 175.55 176.03 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 -3.29 2.70 -0.58 0.54 2.00 -1.26 -4.86 119.66 114.92 2yu4 s GLN 53 Ca 0.04 1.35 -0.30 0.00 -2.00 0.00 0.00 55.36 54.45 2yu4 s GLN 53 Cb 0.09 -4.41 -0.12 0.00 0.80 0.00 0.00 33.01 29.37 2yu4 s GLN 53 CO 0.37 -2.60 2.42 -0.89 -0.50 0.00 0.00 175.29 174.10 2yu4 n ILE 54 N 7.63 0.03 0.00 -2.34 -0.00 -1.26 -1.29 119.36 122.13 2yu4 n ILE 54 Ca 0.28 -0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 2yu4 n ILE 54 Cb 0.50 -1.84 0.00 0.00 -0.00 0.00 0.00 39.64 38.30 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 6.29 1.14 3.86 7.39 0.00 -1.26 -5.13 105.19 117.48 2yu4 n GLY 55 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.91 0.31 -4.46 0.00 2.88 -1.26 -4.99 113.62 105.19 2yu4 n SER 57 Ca 0.03 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.22 2yu4 n SER 57 Cb 0.54 1.40 0.08 0.00 -0.75 0.00 0.00 64.21 65.48 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 -2.48 -0.85 -2.46 0.66 -0.00 -1.26 -4.96 115.22 103.87 2yu4 n HIS 58 Ca -0.19 0.32 -0.03 0.00 -0.00 0.00 0.00 57.72 57.83 2yu4 n HIS 58 Cb 0.86 -1.89 0.04 0.00 -0.00 0.00 0.00 29.99 28.99 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 -2.72 0.20 -3.58 3.57 -2.24 -1.26 -3.50 114.28 104.75 2yu4 n THR 59 Ca 0.09 -0.98 -0.29 0.00 -2.27 0.00 0.00 64.05 60.61 2yu4 n THR 59 Cb 0.51 0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.62 3.62 -0.06 3.42 1.01 -1.24 -4.54 116.67 117.25 2yu4 s ASP 60 Ca 0.12 -1.40 0.03 0.00 0.71 0.00 0.00 52.55 52.01 2yu4 s ASP 60 Cb 0.27 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.75 2yu4 s ASP 60 CO -0.08 -0.43 -0.15 -0.63 0.21 0.00 0.00 175.17 174.09 2yu4 s ILE 61 N 1.95 1.35 -0.01 0.77 1.01 0.33 -4.87 121.20 121.73 2yu4 s ILE 61 Ca 0.10 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.18 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 0.37 1.69 0.58 2.79 0.52 -1.26 -4.35 118.95 119.29 2yu4 s ARG 62 Ca -0.11 -0.75 0.28 0.00 -0.52 0.00 0.00 55.73 54.63 2yu4 s ARG 62 Cb -0.14 -1.64 1.62 0.00 0.52 0.00 0.00 34.95 35.31 2yu4 s ARG 62 CO 0.04 0.45 2.08 -0.22 0.02 0.00 0.00 175.30 177.67 2yu4 h LYS 63 N 5.60 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.61 2yu4 h LYS 63 Ca -0.39 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 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 0.48 0.00 -0.25 0.66 -2.27 0.00 0.00 179.45 178.06 2yu4 h SER 64 N 0.00 0.00 -0.60 4.20 4.64 -2.04 -2.96 113.55 116.79 2yu4 h SER 64 Ca 0.10 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 2yu4 h SER 64 Cb 0.55 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.52 2yu4 h SER 64 CO -0.00 0.25 0.25 0.47 -0.87 0.00 0.00 176.83 176.93 2yu4 n ASP 65 N -3.30 4.16 -4.50 4.97 8.00 0.84 -4.89 116.55 121.83 2yu4 n ASP 65 Ca 0.01 -2.98 -0.34 0.00 0.71 0.00 0.00 54.79 52.20 2yu4 n ASP 65 Cb 0.51 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.34 3.13 0.15 0.64 1.43 -1.12 -1.18 118.68 119.39 2yu4 s LEU 66 Ca 0.43 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2yu4 s LEU 66 Cb 0.35 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2yu4 s LEU 66 CO 0.10 0.22 -0.02 0.27 0.23 0.00 0.00 176.35 177.15 2yu4 s ILE 67 N 0.06 0.71 -0.27 -0.59 -4.36 -0.64 -5.00 121.20 111.10 2yu4 s ILE 67 Ca -0.01 -1.98 -0.18 0.00 -0.26 0.00 0.00 60.65 58.23 2yu4 s ILE 67 Cb -0.14 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 2yu4 s ILE 67 CO 0.03 -0.58 0.50 -1.10 0.24 0.00 0.00 174.94 174.03 2yu4 s GLN 68 N -3.89 4.01 -0.46 0.37 -0.21 -1.26 -1.20 119.66 117.02 2yu4 s GLN 68 Ca 0.21 0.23 -0.25 0.00 0.02 0.00 0.00 55.36 55.57 2yu4 s GLN 68 Cb 0.06 -3.67 0.03 0.00 1.00 0.00 0.00 33.01 30.42 2yu4 s GLN 68 CO 0.02 -0.38 0.93 0.34 -2.12 0.00 0.00 175.29 174.08 2yu4 s ASP 69 N 1.58 6.50 0.03 5.90 -1.08 -0.96 -4.90 116.67 123.74 2yu4 s ASP 69 Ca 0.20 0.11 -0.19 0.00 -0.52 0.00 0.00 52.55 52.15 2yu4 s ASP 69 Cb -0.16 -2.45 -0.19 0.00 -1.46 0.00 0.00 42.92 38.66 2yu4 s ASP 69 CO 0.10 -1.06 1.19 -0.08 0.52 0.00 0.00 175.17 175.84 2yu4 h GLU 70 N 9.09 0.46 -0.71 4.34 4.81 -1.96 -1.17 114.58 129.43 2yu4 h GLU 70 Ca -0.24 -0.39 0.21 0.00 -0.13 0.00 0.00 59.36 58.81 2yu4 h GLU 70 Cb 1.08 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2yu4 h GLU 70 CO 1.03 1.03 0.54 0.00 -0.73 0.00 0.00 179.01 180.88 2yu4 h ALA 71 N 0.43 2.63 0.10 2.92 0.00 -1.99 -1.04 119.26 122.31 2yu4 h ALA 71 Ca -0.04 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.48 2yu4 h ALA 71 Cb 1.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2yu4 h ALA 71 CO 0.10 -0.91 -2.07 -0.11 0.00 0.00 0.00 179.25 176.26 2yu4 n LEU 72 N -4.20 2.63 -0.09 0.00 7.94 -1.19 -3.61 117.00 118.48 2yu4 n LEU 72 Ca 0.14 0.16 -0.06 0.00 -1.11 0.00 0.00 56.01 55.14 2yu4 n LEU 72 Cb 0.81 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.72 2yu4 n LEU 72 CO 0.36 0.86 0.82 0.03 -1.11 0.00 0.00 177.39 178.35 2yu4 h ARG 73 N 0.06 0.02 -0.08 1.96 3.08 -0.01 -0.77 114.38 118.64 2yu4 h ARG 73 Ca -0.45 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.53 2yu4 h ARG 73 Cb 2.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 2yu4 h ARG 73 CO 0.06 0.02 -0.29 0.00 -1.07 0.00 0.00 179.97 178.69 2yu4 h ARG 74 N 0.02 0.15 0.72 0.04 3.08 -1.44 -2.69 114.38 114.26 2yu4 h ARG 74 Ca 0.16 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2yu4 h ARG 74 Cb 0.23 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.28 2yu4 h ARG 74 CO -0.32 0.43 -0.34 0.00 -1.07 0.00 0.00 179.97 178.67 2yu4 h ALA 75 N 1.58 -0.96 -0.76 0.04 0.00 -1.24 -2.29 119.26 115.63 2yu4 h ALA 75 Ca 0.02 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2yu4 h ALA 75 Cb 0.58 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2yu4 h ALA 75 CO 0.04 -1.01 0.45 0.82 0.00 0.00 0.00 179.25 179.55 2yu4 h ILE 76 N -1.02 0.99 -0.10 0.00 2.04 -1.28 -0.15 117.51 117.99 2yu4 h ILE 76 Ca -0.10 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2yu4 h ILE 76 Cb 0.75 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2yu4 h ILE 76 CO 0.16 0.15 0.10 -0.33 0.00 0.00 0.00 178.15 178.23 2yu4 h GLU 77 N 0.81 0.00 0.00 2.37 5.08 -1.37 0.83 114.58 122.30 2yu4 h GLU 77 Ca 0.34 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 2yu4 h GLU 77 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2yu4 h GLU 77 CO -0.19 0.00 -0.46 -0.97 -1.00 0.00 0.00 179.01 176.39 2yu4 h ASN 78 N 0.00 0.00 0.72 1.42 -0.73 -0.42 -0.59 115.58 115.98 2yu4 h ASN 78 Ca 0.05 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.96 2yu4 h ASN 78 Cb 0.26 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 2yu4 h ASN 78 CO -0.00 0.46 -1.34 -0.74 -0.37 0.00 0.00 177.43 175.44 2yu4 h HIS 79 N 0.00 0.10 0.08 0.67 2.76 -0.73 -3.24 115.15 114.79 2yu4 h HIS 79 Ca -0.00 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 57.96 2yu4 h HIS 79 Cb 1.09 -0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.06 2yu4 h HIS 79 CO 0.00 1.08 -0.61 -0.91 -1.30 0.00 0.00 177.93 176.20 2yu4 h ASN 80 N 0.01 0.26 -0.26 3.26 -0.26 -1.31 -3.22 115.58 114.06 2yu4 h ASN 80 Ca -0.15 -0.93 0.07 0.00 -0.56 0.00 0.00 56.30 54.73 2yu4 h ASN 80 Cb 1.90 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 39.07 2yu4 h ASN 80 CO 0.12 1.28 0.22 0.07 -1.06 0.00 0.00 177.43 178.06 2yu4 h LYS 81 N -0.64 0.00 0.00 0.81 5.09 -1.26 0.10 116.57 120.68 2yu4 h LYS 81 Ca -0.12 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.47 2yu4 h LYS 81 Cb 1.40 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.70 2yu4 h LYS 81 CO 0.06 0.00 -0.73 0.87 -2.09 0.00 0.00 179.45 177.56 2yu4 h LYS 82 N 0.00 0.00 -6.19 0.07 1.57 -1.63 -3.48 116.57 106.91 2yu4 h LYS 82 Ca 0.12 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.46 2yu4 h LYS 82 Cb 0.56 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.89 2yu4 h LYS 82 CO -0.00 0.73 -0.81 -2.13 -0.57 0.00 0.00 179.45 176.67 2yu4 n ARG 83 N -3.50 -5.04 -2.77 3.15 0.63 0.36 -4.92 116.66 104.58 2yu4 n ARG 83 Ca -0.00 0.60 -0.42 0.00 -0.92 0.00 0.00 57.85 57.11 2yu4 n ARG 83 Cb 0.75 -5.25 -0.03 0.00 0.45 0.00 0.00 32.46 28.39 2yu4 n ARG 83 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2yu4 s HIS 84 N -3.56 3.47 -0.49 -0.14 2.46 -1.26 -4.30 115.29 111.47 2yu4 s HIS 84 Ca 0.24 1.46 -0.15 0.00 0.47 0.00 0.00 55.06 57.07 2yu4 s HIS 84 Cb -0.12 -3.12 0.02 0.00 -0.13 0.00 0.00 32.58 29.23 2yu4 s HIS 84 CO 0.82 -0.24 0.62 -2.13 -2.47 0.00 0.00 174.74 171.35 2yu4 n ARG 85 N 5.13 -2.15 0.06 2.88 0.63 -1.26 -4.98 116.66 116.96 2yu4 n ARG 85 Ca 0.07 1.93 0.00 0.00 -0.92 0.00 0.00 57.85 58.93 2yu4 n ARG 85 Cb 0.49 -5.29 0.00 0.00 0.45 0.00 0.00 32.46 28.10 2yu4 n ARG 85 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2yu4 n HIS 86 N -0.59 -1.80 -2.66 -0.14 -0.00 -1.26 -5.05 115.22 103.72 2yu4 n HIS 86 Ca 0.07 0.30 -0.05 0.00 0.46 0.00 0.00 57.72 58.50 2yu4 n HIS 86 Cb 0.49 0.99 0.06 0.00 -0.12 0.00 0.00 29.99 31.40 2yu4 n HIS 86 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2yu4 n SER 87 N -2.80 -1.40 -4.41 0.26 2.88 -1.26 -5.16 113.62 101.72 2yu4 n SER 87 Ca 0.00 -1.99 -0.32 0.00 -1.33 0.00 0.00 58.87 55.23 2yu4 n SER 87 Cb 0.00 0.91 0.17 0.00 -0.75 0.00 0.00 64.21 64.54 2yu4 n SER 87 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yu4 n GLU 88 N -0.61 -1.19 -3.98 -1.46 1.02 -1.26 -5.03 120.64 108.12 2yu4 n GLU 88 Ca -0.15 -0.31 -0.16 0.00 -0.02 0.00 0.00 57.16 56.52 2yu4 n GLU 88 Cb 0.74 -1.93 -0.15 0.00 -0.02 0.00 0.00 31.44 30.08 2yu4 n GLU 88 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yu4 s SER 89 N -2.11 0.41 0.45 1.62 0.01 -1.26 -5.11 113.70 107.72 2yu4 s SER 89 Ca 0.60 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2yu4 s SER 89 Cb -0.19 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2yu4 s SER 89 CO 0.65 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2yu4 n GLY 90 N 3.68 -2.52 3.73 3.44 0.00 -1.26 -4.76 105.19 107.49 2yu4 n GLY 90 Ca -0.21 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.07 4.38 0.34 1.61 0.04 -1.26 -5.04 135.00 132.00 2yu4 s PRO 91 Ca 0.00 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.16 2yu4 s PRO 91 Cb 0.00 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 2yu4 s PRO 91 CO 0.00 -0.29 -0.05 0.45 0.04 0.00 0.00 177.00 177.15 2yu4 s SER 92 N 0.54 3.42 -0.26 6.66 0.15 -1.26 -5.13 113.70 117.83 2yu4 s SER 92 Ca 0.58 -1.25 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 2yu4 s SER 92 Cb -0.36 -0.30 0.08 0.00 -1.71 0.00 0.00 66.02 63.73 2yu4 s SER 92 CO 0.36 -0.33 0.05 -0.44 1.20 0.00 0.00 173.24 174.09 2yu4 s SER 93 N -3.58 3.59 0.00 5.45 0.01 -1.26 -5.24 113.70 112.67 2yu4 s SER 93 Ca 0.33 -1.27 0.18 0.00 1.31 0.00 0.00 55.95 56.50 2yu4 s SER 93 Cb 0.05 -0.80 0.14 0.00 0.21 0.00 0.00 66.02 65.62 2yu4 s SER 93 CO 0.16 -0.35 1.08 0.61 0.41 0.00 0.00 173.24 175.14