#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 -0.43 -0.02 1.61 1.04 -1.26 -5.17 113.70 109.47 2yu4 s SER 2 Ca 0.00 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 2yu4 s SER 2 Cb 0.00 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2yu4 s SER 2 CO 0.00 -0.73 0.05 -0.44 0.98 0.00 0.00 173.24 173.10 2yu4 s SER 3 N -2.04 -0.00 -0.30 7.02 0.01 -1.26 -5.04 113.70 112.09 2yu4 s SER 3 Ca -0.05 0.09 0.10 0.00 1.31 0.00 0.00 55.95 57.40 2yu4 s SER 3 Cb -0.01 0.03 0.54 0.00 0.21 0.00 0.00 66.02 66.80 2yu4 s SER 3 CO -0.03 -0.08 1.53 0.61 0.41 0.00 0.00 173.24 175.68 2yu4 n GLY 4 N 3.71 4.67 2.77 3.44 0.00 -1.26 -4.82 105.19 113.69 2yu4 n GLY 4 Ca -0.21 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2yu4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu4 n SER 5 N -0.99 6.04 -3.53 1.61 3.41 -1.26 -4.83 113.62 114.07 2yu4 n SER 5 Ca 0.35 -3.17 -0.29 0.00 -0.26 0.00 0.00 58.87 55.50 2yu4 n SER 5 Cb 1.11 -1.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 2yu4 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yu4 s SER 6 N 0.36 3.33 0.00 4.04 0.01 -1.26 -5.10 113.70 115.08 2yu4 s SER 6 Ca 0.42 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2yu4 s SER 6 Cb 0.12 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2yu4 s SER 6 CO -0.01 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2yu4 n GLY 7 N 4.63 5.11 2.69 3.44 0.00 -1.26 -5.00 105.19 114.80 2yu4 n GLY 7 Ca 0.03 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 1.51 0.21 0.01 1.61 0.40 -1.26 -5.09 117.98 115.37 2yu4 s PHE 8 Ca 0.00 0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.54 2yu4 s PHE 8 Cb 0.00 -0.57 -0.02 0.00 0.51 0.00 0.00 43.02 42.94 2yu4 s PHE 8 CO 0.00 -0.24 -0.23 0.95 0.70 0.00 0.00 175.22 176.40 2yu4 s THR 9 N 2.12 1.85 -0.06 0.64 -4.23 -1.26 -2.61 115.64 112.10 2yu4 s THR 9 Ca 0.05 -1.11 -0.24 0.00 -1.18 0.00 0.00 61.69 59.21 2yu4 s THR 9 Cb -0.12 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 2yu4 s THR 9 CO -0.04 0.42 0.72 0.00 -0.54 0.00 0.00 174.62 175.19 2yu4 n PRO 11 N 3.74 0.16 -0.04 0.00 -0.04 -1.26 -0.16 135.00 137.39 2yu4 n PRO 11 Ca -0.01 0.39 -0.04 0.00 -0.04 0.00 0.00 63.50 63.81 2yu4 n PRO 11 Cb 0.51 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.10 0.80 0.27 0.52 5.41 -1.26 -4.50 119.36 118.51 2yu4 n ILE 12 Ca 0.02 0.32 0.17 0.00 1.00 0.00 0.00 62.75 64.26 2yu4 n ILE 12 Cb 0.21 -1.98 0.64 0.00 -0.71 0.00 0.00 39.64 37.81 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 -0.55 0.04 -4.06 1.39 1.35 -1.96 -3.46 112.91 105.65 2yu4 h THR 13 Ca 0.00 -0.58 -0.33 0.00 -0.55 0.00 0.00 66.41 64.95 2yu4 h THR 13 Cb 0.42 1.55 0.07 0.00 -1.73 0.00 0.00 68.15 68.46 2yu4 h THR 13 CO 0.00 0.02 -0.52 0.29 -0.25 0.00 0.00 175.52 175.06 2yu4 n LYS 14 N -3.11 -4.68 -4.12 4.72 4.76 0.78 -4.99 118.16 111.52 2yu4 n LYS 14 Ca 0.01 0.74 -0.16 0.00 -2.87 0.00 0.00 58.31 56.03 2yu4 n LYS 14 Cb 0.33 -5.29 -0.05 0.00 -1.84 0.00 0.00 35.03 28.18 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 -5.64 1.92 0.62 1.97 -1.05 -1.23 -4.88 118.70 110.41 2yu4 s GLU 15 Ca 0.31 -1.82 -0.19 0.00 -0.15 0.00 0.00 54.97 53.12 2yu4 s GLU 15 Cb -0.14 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 2yu4 s GLU 15 CO 0.38 -0.78 1.32 -2.00 0.95 0.00 0.00 175.26 175.12 2yu4 s GLU 16 N -3.06 2.69 -0.29 -4.83 2.12 -1.26 -0.26 118.70 113.82 2yu4 s GLU 16 Ca 0.32 2.13 -0.08 0.00 0.36 0.00 0.00 54.97 57.70 2yu4 s GLU 16 Cb -0.00 -1.95 -0.00 0.00 0.26 0.00 0.00 34.13 32.43 2yu4 s GLU 16 CO 0.22 -1.51 0.10 -1.64 -0.54 0.00 0.00 175.26 171.89 2yu4 s MET 17 N -3.25 3.29 -0.04 4.30 -1.94 -1.07 -4.74 119.30 115.84 2yu4 s MET 17 Ca 0.80 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 2yu4 s MET 17 Cb -0.39 -3.41 -0.25 0.00 2.01 0.00 0.00 34.83 32.80 2yu4 s MET 17 CO 0.42 -0.38 0.66 0.87 -0.01 0.00 0.00 175.02 176.59 2yu4 h LYS 18 N 8.27 0.13 -3.04 2.03 1.57 -1.94 -3.42 116.57 120.17 2yu4 h LYS 18 Ca -0.33 -0.22 -0.62 0.00 -1.87 0.00 0.00 60.65 57.61 2yu4 h LYS 18 Cb 1.14 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 33.12 2yu4 h LYS 18 CO 0.60 0.85 -0.65 0.15 -0.57 0.00 0.00 179.45 179.84 2yu4 s LYS 19 N -2.60 2.07 0.13 3.15 3.01 -1.26 -5.02 119.74 119.22 2yu4 s LYS 19 Ca -0.10 -2.94 -0.31 0.00 -1.01 0.00 0.00 55.97 51.62 2yu4 s LYS 19 Cb 0.07 -3.05 -0.08 0.00 -1.01 0.00 0.00 37.83 33.77 2yu4 s LYS 19 CO 0.82 -1.26 1.35 -1.25 0.51 0.00 0.00 175.35 175.52 2yu4 s PRO 20 N -0.89 4.35 -0.09 -1.68 0.04 -1.26 -1.10 135.00 134.38 2yu4 s PRO 20 Ca 0.24 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.34 2yu4 s PRO 20 Cb -0.09 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.22 2yu4 s PRO 20 CO -0.12 -0.36 -0.14 0.14 0.04 0.00 0.00 177.00 176.55 2yu4 s VAL 21 N 0.81 1.31 0.07 -0.36 -7.23 0.86 -2.97 120.40 112.90 2yu4 s VAL 21 Ca 0.62 -0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 60.18 2yu4 s VAL 21 Cb -0.36 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2yu4 s VAL 21 CO 0.32 0.40 0.31 -0.75 -0.31 0.00 0.00 175.10 175.07 2yu4 s LYS 22 N 0.85 3.58 0.31 4.82 2.20 0.20 -1.30 119.74 130.39 2yu4 s LYS 22 Ca -0.10 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2yu4 s LYS 22 Cb -0.15 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2yu4 s LYS 22 CO 0.01 0.57 0.53 1.21 -0.36 0.00 0.00 175.35 177.31 2yu4 s ASN 23 N -2.14 6.35 0.01 1.43 2.47 -0.72 -1.10 114.94 121.24 2yu4 s ASN 23 Ca 0.34 0.53 0.20 0.00 0.42 0.00 0.00 52.86 54.35 2yu4 s ASN 23 Cb -0.13 -2.06 -0.20 0.00 -1.45 0.00 0.00 41.25 37.41 2yu4 s ASN 23 CO 0.22 -0.24 0.62 0.29 -3.72 0.00 0.00 177.10 174.27 2yu4 n LYS 24 N -1.40 0.64 -0.01 0.43 5.02 -0.51 -3.17 118.16 119.17 2yu4 n LYS 24 Ca -0.04 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2yu4 n LYS 24 Cb 0.55 -1.67 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2yu4 n LYS 24 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2yu4 h VAL 25 N 0.00 0.00 0.00 -0.18 2.07 -1.93 -3.42 116.25 112.79 2yu4 h VAL 25 Ca -0.14 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2yu4 h VAL 25 Cb 1.39 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2yu4 h VAL 25 CO 0.02 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.17 2yu4 n GLY 27 N 1.59 1.49 3.21 0.00 0.00 -1.19 -5.01 105.19 105.28 2yu4 n GLY 27 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.43 -2.97 -4.28 1.61 8.25 -1.26 -4.21 115.22 111.93 2yu4 n HIS 28 Ca 0.00 -0.48 -0.17 0.00 -0.26 0.00 0.00 57.72 56.80 2yu4 n HIS 28 Cb 0.00 -1.42 -0.14 0.00 1.12 0.00 0.00 29.99 29.55 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 -2.15 0.66 0.32 1.59 2.01 -1.26 -1.76 115.64 115.04 2yu4 s THR 29 Ca 0.60 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2yu4 s THR 29 Cb -0.13 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2yu4 s THR 29 CO 0.53 0.10 0.36 -0.31 -0.69 0.00 0.00 174.62 174.61 2yu4 s TYR 30 N -0.38 1.32 0.26 4.92 2.02 -0.42 -4.92 117.35 120.16 2yu4 s TYR 30 Ca 0.02 -1.43 -0.17 0.00 -0.37 0.00 0.00 57.07 55.11 2yu4 s TYR 30 Cb -0.04 -0.38 -0.08 0.00 -0.40 0.00 0.00 41.96 41.05 2yu4 s TYR 30 CO -0.00 -0.97 0.72 -2.00 -1.57 0.00 0.00 175.55 171.73 2yu4 s GLU 31 N -3.37 4.12 0.02 -0.62 2.12 -1.26 -0.09 118.70 119.61 2yu4 s GLU 31 Ca 0.35 0.75 -0.06 0.00 0.36 0.00 0.00 54.97 56.37 2yu4 s GLU 31 Cb 0.02 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 2yu4 s GLU 31 CO 0.22 0.29 1.10 1.49 -0.54 0.00 0.00 175.26 177.82 2yu4 h GLU 32 N 2.88 -0.17 -0.92 4.30 4.81 -1.48 0.21 114.58 124.22 2yu4 h GLU 32 Ca -0.48 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.03 2yu4 h GLU 32 Cb 1.18 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 2yu4 h GLU 32 CO 0.65 -0.11 0.66 -0.44 -0.73 0.00 0.00 179.01 179.04 2yu4 h ASP 33 N -0.18 0.02 0.45 1.04 3.32 -1.95 0.28 116.42 119.40 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 0.15 -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 -0.22 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 -1.78 0.25 119.26 122.01 2yu4 h ALA 34 Ca 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yu4 h ALA 34 Cb 1.74 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2yu4 h ALA 34 CO -0.01 -0.68 -0.01 0.97 0.00 0.00 0.00 179.25 179.52 2yu4 h ILE 35 N -0.95 0.08 0.17 0.00 6.09 0.07 0.26 117.51 123.22 2yu4 h ILE 35 Ca -0.06 -0.20 -0.34 0.00 -1.37 0.00 0.00 64.86 62.89 2yu4 h ILE 35 Cb 0.46 1.18 0.01 0.00 0.47 0.00 0.00 36.82 38.94 2yu4 h ILE 35 CO 0.10 0.01 -1.67 0.58 -3.07 0.00 0.00 178.15 174.10 2yu4 h VAL 36 N 0.00 1.02 0.00 2.19 2.07 -0.44 -3.05 116.25 118.04 2yu4 h VAL 36 Ca -0.00 -2.62 -0.10 0.00 0.82 0.00 0.00 66.70 64.80 2yu4 h VAL 36 Cb 0.18 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2yu4 h VAL 36 CO 0.00 0.84 -0.59 0.08 0.02 0.00 0.00 177.57 177.92 2yu4 h ARG 37 N 0.10 0.00 0.19 1.57 0.11 0.07 -3.17 114.38 113.24 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 0.43 -0.09 1.98 0.10 0.00 0.00 179.97 182.57 2yu4 h MET 38 N 0.00 -0.25 -0.56 0.08 4.05 -0.63 0.05 114.93 117.68 2yu4 h MET 38 Ca -0.02 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.56 2yu4 h MET 38 Cb 1.37 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.20 2yu4 h MET 38 CO 0.06 0.06 0.39 0.82 0.23 0.00 0.00 176.91 178.47 2yu4 h ILE 39 N -0.99 0.76 0.17 1.77 2.04 -1.67 0.28 117.51 119.87 2yu4 h ILE 39 Ca -0.03 -0.03 -0.32 0.00 1.00 0.00 0.00 64.86 65.49 2yu4 h ILE 39 Cb 0.42 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2yu4 h ILE 39 CO 0.04 0.02 -1.52 -0.33 0.00 0.00 0.00 178.15 176.36 2yu4 h GLU 40 N 0.09 0.35 0.00 2.37 4.39 -1.60 -2.44 114.58 117.75 2yu4 h GLU 40 Ca 0.27 -0.61 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 2yu4 h GLU 40 Cb 0.94 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2yu4 h GLU 40 CO -0.02 1.26 -0.29 0.77 -1.16 0.00 0.00 179.01 179.56 2yu4 h SER 41 N 0.10 0.00 0.00 1.42 0.02 0.46 -2.74 113.55 112.81 2yu4 h SER 41 Ca -0.25 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 2yu4 h SER 41 Cb 2.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 2yu4 h SER 41 CO 0.20 0.29 -0.55 0.03 -1.14 0.00 0.00 176.83 175.66 2yu4 h ARG 42 N 0.00 0.00 -0.53 3.45 2.47 -0.59 -3.32 114.38 115.85 2yu4 h ARG 42 Ca -0.00 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.82 2yu4 h ARG 42 Cb 0.82 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.06 2yu4 h ARG 42 CO 0.04 0.84 0.06 1.96 0.56 0.00 0.00 179.97 183.43 2yu4 h GLN 43 N -1.00 0.18 -0.23 0.04 4.20 -1.49 0.35 115.11 117.16 2yu4 h GLN 43 Ca -0.14 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.62 2yu4 h GLN 43 Cb 1.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 2yu4 h GLN 43 CO -0.09 0.12 0.25 1.57 -0.67 0.00 0.00 178.83 180.02 2yu4 h LYS 44 N 0.19 0.00 -0.58 1.46 5.09 -1.65 0.24 116.57 121.32 2yu4 h LYS 44 Ca 0.27 0.00 -0.20 0.00 0.09 0.00 0.00 60.65 60.81 2yu4 h LYS 44 Cb 0.40 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 32.61 2yu4 h LYS 44 CO -0.40 0.00 0.18 0.54 -2.09 0.00 0.00 179.45 177.68 2yu4 n ARG 45 N -3.76 2.88 -3.47 0.07 5.12 0.85 -4.92 116.66 113.43 2yu4 n ARG 45 Ca 0.03 -3.06 -0.25 0.00 -1.93 0.00 0.00 57.85 52.64 2yu4 n ARG 45 Cb 0.39 -2.03 0.01 0.00 -1.16 0.00 0.00 32.46 29.66 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 -0.61 -4.13 -3.38 5.56 4.76 0.84 -4.96 118.16 116.24 2yu4 n LYS 46 Ca 0.37 0.57 -0.21 0.00 -2.87 0.00 0.00 58.31 56.18 2yu4 n LYS 46 Cb 1.24 -5.35 -0.00 0.00 -1.84 0.00 0.00 35.03 29.07 2yu4 n LYS 46 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2yu4 n LYS 47 N -4.03 0.85 -4.26 1.97 5.02 0.85 -4.97 118.16 113.58 2yu4 n LYS 47 Ca -0.01 -2.75 -0.20 0.00 -2.02 0.00 0.00 58.31 53.33 2yu4 n LYS 47 Cb 0.55 0.31 -0.11 0.00 -0.02 0.00 0.00 35.03 35.75 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 -3.79 1.08 -0.42 1.97 -2.85 -1.26 -3.94 119.74 110.53 2yu4 s LYS 48 Ca 0.24 -1.24 -0.25 0.00 -1.00 0.00 0.00 55.97 53.72 2yu4 s LYS 48 Cb -0.02 -1.08 0.02 0.00 -2.06 0.00 0.00 37.83 34.69 2yu4 s LYS 48 CO 0.15 0.22 0.90 0.00 0.10 0.00 0.00 175.35 176.72 2yu4 s ALA 49 N -1.86 3.31 0.21 0.59 0.00 -1.26 -4.97 121.76 117.78 2yu4 s ALA 49 Ca 0.09 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.43 2yu4 s ALA 49 Cb -0.06 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2yu4 s ALA 49 CO 0.04 -1.86 0.00 1.52 0.00 0.00 0.00 175.76 175.47 2yu4 s TYR 50 N 3.57 2.79 -0.59 0.00 1.13 -1.26 -1.06 117.35 121.93 2yu4 s TYR 50 Ca 0.36 -0.17 -0.31 0.00 -1.41 0.00 0.00 57.07 55.54 2yu4 s TYR 50 Cb -0.11 -1.30 -0.13 0.00 -1.10 0.00 0.00 41.96 39.32 2yu4 s TYR 50 CO 0.23 0.56 2.42 0.00 -2.51 0.00 0.00 175.55 176.24 2yu4 n PRO 52 N 8.57 0.06 -2.14 0.00 -0.04 -1.26 -4.66 135.00 135.53 2yu4 n PRO 52 Ca 0.47 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.74 2yu4 n PRO 52 Cb 0.28 -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 -2.87 3.08 -0.34 0.54 2.00 -1.26 -4.80 119.66 116.00 2yu4 s GLN 53 Ca 0.09 0.85 -0.35 0.00 -2.00 0.00 0.00 55.36 53.95 2yu4 s GLN 53 Cb 0.09 -4.24 -0.11 0.00 0.80 0.00 0.00 33.01 29.56 2yu4 s GLN 53 CO 0.25 -2.18 2.20 -0.89 -0.50 0.00 0.00 175.29 174.17 2yu4 n ILE 54 N 7.18 0.19 0.00 -2.34 -0.00 -1.26 -1.29 119.36 121.84 2yu4 n ILE 54 Ca 0.19 -0.28 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2yu4 n ILE 54 Cb 0.49 -1.72 0.00 0.00 -0.00 0.00 0.00 39.64 38.42 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 6.49 1.60 3.85 7.39 0.00 -1.26 -5.12 105.19 118.13 2yu4 n GLY 55 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.18 0.15 -4.55 0.00 2.88 -1.26 -4.97 113.62 105.69 2yu4 n SER 57 Ca 0.02 0.06 -0.36 0.00 -1.33 0.00 0.00 58.87 57.26 2yu4 n SER 57 Cb 0.53 1.24 0.07 0.00 -0.75 0.00 0.00 64.21 65.30 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 -2.58 0.03 -2.45 0.66 -0.00 -1.26 -4.95 115.22 104.66 2yu4 n HIS 58 Ca -0.18 0.39 -0.02 0.00 -0.00 0.00 0.00 57.72 57.91 2yu4 n HIS 58 Cb 0.87 -2.02 0.03 0.00 -0.00 0.00 0.00 29.99 28.88 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 -2.26 0.23 -3.58 3.57 -2.24 -1.26 -3.22 114.28 105.52 2yu4 n THR 59 Ca 0.12 -1.02 -0.29 0.00 -2.27 0.00 0.00 64.05 60.59 2yu4 n THR 59 Cb 0.49 0.89 -0.15 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.72 3.62 -0.05 3.42 -1.08 -1.25 -4.47 116.67 115.14 2yu4 s ASP 60 Ca 0.14 -1.41 0.04 0.00 -0.52 0.00 0.00 52.55 50.80 2yu4 s ASP 60 Cb 0.27 -0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.27 2yu4 s ASP 60 CO -0.08 -0.43 -0.16 -0.63 0.52 0.00 0.00 175.17 174.39 2yu4 s ILE 61 N 1.95 1.35 -0.02 4.11 1.01 -0.22 -4.87 121.20 124.51 2yu4 s ILE 61 Ca 0.10 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2yu4 s ILE 61 Cb -0.17 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 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 0.19 1.75 0.59 2.79 0.52 -1.26 -4.48 118.95 119.04 2yu4 s ARG 62 Ca -0.07 -0.75 0.29 0.00 -0.52 0.00 0.00 55.73 54.68 2yu4 s ARG 62 Cb -0.12 -1.66 1.63 0.00 0.52 0.00 0.00 34.95 35.31 2yu4 s ARG 62 CO 0.03 0.44 2.06 -0.22 0.02 0.00 0.00 175.30 177.63 2yu4 h LYS 63 N 5.68 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.69 2yu4 h LYS 63 Ca -0.39 0.00 -0.07 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 -0.32 0.66 -2.27 0.00 0.00 179.45 178.00 2yu4 h SER 64 N 0.00 0.00 -0.63 4.20 4.64 -2.04 -2.78 113.55 116.93 2yu4 h SER 64 Ca 0.11 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.21 2yu4 h SER 64 Cb 0.61 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.57 2yu4 h SER 64 CO -0.00 0.32 0.28 0.47 -0.87 0.00 0.00 176.83 177.02 2yu4 n ASP 65 N -3.50 4.12 -4.49 4.97 8.00 0.84 -4.88 116.55 121.61 2yu4 n ASP 65 Ca -0.00 -3.02 -0.35 0.00 0.71 0.00 0.00 54.79 52.13 2yu4 n ASP 65 Cb 0.47 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.39 3.44 0.23 0.64 1.43 -1.05 -1.42 118.68 119.55 2yu4 s LEU 66 Ca 0.44 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2yu4 s LEU 66 Cb 0.35 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2yu4 s LEU 66 CO 0.10 0.06 -0.05 0.27 0.23 0.00 0.00 176.35 176.97 2yu4 s ILE 67 N 1.05 1.30 -0.18 -0.59 -4.36 -0.26 -5.00 121.20 113.17 2yu4 s ILE 67 Ca 0.03 -2.08 -0.17 0.00 -0.26 0.00 0.00 60.65 58.17 2yu4 s ILE 67 Cb -0.14 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 2yu4 s ILE 67 CO 0.02 -0.40 0.44 -1.10 0.24 0.00 0.00 174.94 174.15 2yu4 s GLN 68 N -3.79 4.22 -0.32 0.37 -0.21 -1.26 -0.63 119.66 118.04 2yu4 s GLN 68 Ca 0.27 0.31 -0.14 0.00 0.02 0.00 0.00 55.36 55.82 2yu4 s GLN 68 Cb 0.04 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.51 2yu4 s GLN 68 CO 0.08 -0.01 0.31 0.34 -2.12 0.00 0.00 175.29 173.90 2yu4 s ASP 69 N 0.94 6.14 -0.05 5.90 -1.08 -1.16 -4.85 116.67 122.52 2yu4 s ASP 69 Ca 0.22 -0.14 -0.17 0.00 -0.52 0.00 0.00 52.55 51.93 2yu4 s ASP 69 Cb -0.15 -2.17 -0.31 0.00 -1.46 0.00 0.00 42.92 38.83 2yu4 s ASP 69 CO 0.09 -0.24 0.78 -0.08 0.52 0.00 0.00 175.17 176.24 2yu4 h GLU 70 N 8.40 0.35 -0.83 4.34 4.81 -1.97 -2.92 114.58 126.76 2yu4 h GLU 70 Ca -0.31 -0.59 0.24 0.00 -0.13 0.00 0.00 59.36 58.56 2yu4 h GLU 70 Cb 1.16 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 2yu4 h GLU 70 CO 0.65 1.28 0.60 0.00 -0.73 0.00 0.00 179.01 180.81 2yu4 h ALA 71 N 0.06 2.79 0.13 2.92 0.00 -2.00 0.10 119.26 123.26 2yu4 h ALA 71 Ca -0.24 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 2yu4 h ALA 71 Cb 1.85 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2yu4 h ALA 71 CO 0.15 -1.02 -1.56 1.25 0.00 0.00 0.00 179.25 178.07 2yu4 h LEU 72 N 0.00 0.44 0.28 0.00 6.46 -1.97 -3.28 115.31 117.24 2yu4 h LEU 72 Ca 0.39 -0.88 -0.00 0.00 -0.12 0.00 0.00 57.88 57.27 2yu4 h LEU 72 Cb 1.58 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 2yu4 h LEU 72 CO -0.00 1.69 -0.24 0.03 -0.62 0.00 0.00 178.44 179.29 2yu4 h ARG 73 N -0.16 -0.52 -0.89 1.25 3.08 -0.97 -2.45 114.38 113.72 2yu4 h ARG 73 Ca -0.33 0.04 0.14 0.00 0.07 0.00 0.00 59.98 59.90 2yu4 h ARG 73 Cb 1.87 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.95 2yu4 h ARG 73 CO 0.09 -0.35 0.49 0.00 -1.07 0.00 0.00 179.97 179.14 2yu4 h ARG 74 N -0.54 0.69 -0.22 0.04 3.08 -1.22 -1.73 114.38 114.48 2yu4 h ARG 74 Ca -0.01 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.05 2yu4 h ARG 74 Cb 0.49 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2yu4 h ARG 74 CO -0.03 0.46 -0.16 0.00 -1.07 0.00 0.00 179.97 179.17 2yu4 h ALA 75 N 1.56 0.00 -0.64 0.04 0.00 -1.50 -0.30 119.26 118.41 2yu4 h ALA 75 Ca 0.48 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.57 2yu4 h ALA 75 Cb 0.63 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2yu4 h ALA 75 CO -0.34 -0.58 0.43 0.82 0.00 0.00 0.00 179.25 179.58 2yu4 h ILE 76 N -0.15 0.91 -0.16 0.00 2.04 -0.99 -0.58 117.51 118.59 2yu4 h ILE 76 Ca 0.13 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.66 2yu4 h ILE 76 Cb 0.34 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2yu4 h ILE 76 CO -0.31 0.09 -0.56 -0.33 0.00 0.00 0.00 178.15 177.04 2yu4 h GLU 77 N 0.49 0.48 0.00 2.37 5.08 -0.81 -2.50 114.58 119.69 2yu4 h GLU 77 Ca 0.30 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2yu4 h GLU 77 Cb 0.51 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2yu4 h GLU 77 CO -0.09 0.91 -0.29 -0.97 -1.00 0.00 0.00 179.01 177.57 2yu4 h ASN 78 N 0.37 0.00 0.86 1.42 -1.24 0.45 -1.47 115.58 115.96 2yu4 h ASN 78 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 2yu4 h ASN 78 Cb 1.09 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.12 2yu4 h ASN 78 CO 0.10 0.29 -1.14 -0.74 -1.29 0.00 0.00 177.43 174.65 2yu4 h HIS 79 N 0.00 0.10 0.05 0.67 2.76 -1.19 -3.20 115.15 114.34 2yu4 h HIS 79 Ca -0.00 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2yu4 h HIS 79 Cb 0.69 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2yu4 h HIS 79 CO 0.00 1.07 -0.02 -0.91 -1.30 0.00 0.00 177.93 176.76 2yu4 h ASN 80 N 0.02 -0.06 -0.63 3.26 2.35 -1.20 -2.96 115.58 116.37 2yu4 h ASN 80 Ca -0.07 -0.59 0.18 0.00 -0.55 0.00 0.00 56.30 55.27 2yu4 h ASN 80 Cb 1.84 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 40.20 2yu4 h ASN 80 CO 0.14 0.67 0.48 0.07 -1.65 0.00 0.00 177.43 177.14 2yu4 h LYS 81 N -0.89 0.00 -0.09 0.81 5.09 -1.42 -0.08 116.57 119.99 2yu4 h LYS 81 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.57 2yu4 h LYS 81 Cb 0.65 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.99 2yu4 h LYS 81 CO 0.01 0.00 -0.57 -0.22 -2.09 0.00 0.00 179.45 176.58 2yu4 h LYS 82 N 0.00 0.54 0.02 0.07 3.64 -1.59 -3.31 116.57 115.94 2yu4 h LYS 82 Ca 0.30 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2yu4 h LYS 82 Cb 1.25 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 2yu4 h LYS 82 CO -0.00 1.10 -0.27 0.00 -2.27 0.00 0.00 179.45 178.00 2yu4 h ARG 83 N 0.14 -0.41 -6.34 1.90 2.47 -0.83 -3.40 114.38 107.91 2yu4 h ARG 83 Ca -0.05 0.03 -0.54 0.00 -1.26 0.00 0.00 59.98 58.16 2yu4 h ARG 83 Cb 1.23 0.09 0.01 0.00 -1.65 0.00 0.00 29.97 29.65 2yu4 h ARG 83 CO 0.12 -0.27 1.06 -1.01 0.56 0.00 0.00 179.97 180.43 2yu4 s HIS 84 N -6.05 2.08 -0.10 3.04 3.76 -1.03 -4.83 115.29 112.16 2yu4 s HIS 84 Ca -0.15 0.18 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 2yu4 s HIS 84 Cb 0.09 -3.96 0.20 0.00 1.11 0.00 0.00 32.58 30.01 2yu4 s HIS 84 CO 0.66 -4.01 1.17 2.89 -0.85 0.00 0.00 174.74 174.59 2yu4 n ARG 85 N 6.59 0.44 0.01 1.40 1.85 -1.26 -4.93 116.66 120.76 2yu4 n ARG 85 Ca 0.17 -1.37 -0.22 0.00 -1.00 0.00 0.00 57.85 55.43 2yu4 n ARG 85 Cb 0.42 0.27 -0.14 0.00 -1.05 0.00 0.00 32.46 31.96 2yu4 n ARG 85 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2yu4 h HIS 86 N 0.56 0.47 -3.25 2.89 2.76 -1.98 -3.45 115.15 113.16 2yu4 h HIS 86 Ca -0.46 -0.35 -0.66 0.00 -2.20 0.00 0.00 60.37 56.70 2yu4 h HIS 86 Cb 1.45 -0.02 -0.31 0.00 1.55 0.00 0.00 27.41 30.08 2yu4 h HIS 86 CO -0.06 1.70 -0.79 0.45 -1.30 0.00 0.00 177.93 177.92 2yu4 s SER 87 N -7.08 3.70 -0.40 3.26 0.15 -1.26 -4.99 113.70 107.09 2yu4 s SER 87 Ca -0.21 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.00 2yu4 s SER 87 Cb 0.06 -1.59 0.68 0.00 -1.71 0.00 0.00 66.02 63.46 2yu4 s SER 87 CO 0.77 0.03 1.87 -1.84 1.20 0.00 0.00 173.24 175.27 2yu4 n GLU 88 N 4.43 2.72 -1.78 5.44 0.00 -1.26 -4.95 120.64 125.23 2yu4 n GLU 88 Ca -0.19 -2.97 -0.09 0.00 0.00 0.00 0.00 57.16 53.91 2yu4 n GLU 88 Cb 0.51 -2.17 0.03 0.00 0.00 0.00 0.00 31.44 29.81 2yu4 n GLU 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2yu4 n SER 89 N -0.79 0.85 0.00 -1.84 3.41 -1.26 -5.07 113.62 108.92 2yu4 n SER 89 Ca 0.53 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2yu4 n SER 89 Cb 1.57 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 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 1.87 2.06 3.69 5.00 0.00 -1.26 -4.98 105.19 111.57 2yu4 n GLY 90 Ca 0.07 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.63 4.28 0.44 1.61 0.04 -1.26 -4.99 135.00 132.49 2yu4 s PRO 91 Ca 0.00 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.83 2yu4 s PRO 91 Cb 0.00 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.96 2yu4 s PRO 91 CO 0.00 -0.56 1.16 -1.12 0.04 0.00 0.00 177.00 176.52 2yu4 s SER 92 N 1.77 6.31 -0.35 6.66 0.01 -1.26 -5.03 113.70 121.82 2yu4 s SER 92 Ca 0.65 2.31 0.06 0.00 1.31 0.00 0.00 55.95 60.28 2yu4 s SER 92 Cb -0.33 -2.61 0.18 0.00 0.21 0.00 0.00 66.02 63.48 2yu4 s SER 92 CO 0.28 -0.82 0.57 -0.44 0.41 0.00 0.00 173.24 173.25 2yu4 s SER 93 N -1.30 -1.21 0.00 2.44 0.01 -1.26 -5.32 113.70 107.06 2yu4 s SER 93 Ca 0.61 -0.40 0.20 0.00 1.31 0.00 0.00 55.95 57.67 2yu4 s SER 93 Cb -0.29 1.82 1.20 0.00 0.21 0.00 0.00 66.02 68.96 2yu4 s SER 93 CO 0.36 -0.25 1.59 0.61 0.41 0.00 0.00 173.24 175.96