#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 3.90 -0.44 1.61 0.01 -1.26 -5.00 113.70 112.52 2yu4 s SER 2 Ca 0.00 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.11 2yu4 s SER 2 Cb 0.00 -1.21 0.43 0.00 0.21 0.00 0.00 66.02 65.45 2yu4 s SER 2 CO 0.00 -0.23 1.29 -0.24 0.41 0.00 0.00 173.24 174.47 2yu4 n SER 3 N 4.65 5.28 -3.70 2.44 2.88 -1.26 -4.89 113.62 119.02 2yu4 n SER 3 Ca -0.12 -3.75 -0.41 0.00 -1.33 0.00 0.00 58.87 53.26 2yu4 n SER 3 Cb 0.44 -0.51 0.01 0.00 -0.75 0.00 0.00 64.21 63.40 2yu4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu4 n GLY 4 N -0.61 5.63 3.73 0.46 0.00 -1.26 -4.98 105.19 108.16 2yu4 n GLY 4 Ca 0.44 -2.45 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 2yu4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu4 s SER 5 N -0.90 5.44 -0.87 1.61 0.01 -1.26 -5.05 113.70 112.67 2yu4 s SER 5 Ca 0.40 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2yu4 s SER 5 Cb 0.15 -1.55 0.26 0.00 0.21 0.00 0.00 66.02 65.10 2yu4 s SER 5 CO -0.06 0.34 1.03 -0.24 0.41 0.00 0.00 173.24 174.72 2yu4 n SER 6 N 1.77 4.87 -0.25 2.44 2.88 -1.26 -4.99 113.62 119.07 2yu4 n SER 6 Ca -0.17 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.02 2yu4 n SER 6 Cb 0.53 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 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 1.40 1.34 2.81 0.46 0.00 -1.26 -5.13 105.19 104.82 2yu4 n GLY 7 Ca 0.26 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.85 1.19 -0.06 1.61 0.40 -1.26 -5.12 117.98 111.89 2yu4 s PHE 8 Ca 0.00 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.67 2yu4 s PHE 8 Cb 0.00 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 2yu4 s PHE 8 CO 0.00 -0.52 -0.22 0.95 0.70 0.00 0.00 175.22 176.13 2yu4 s THR 9 N 1.80 1.81 -0.01 0.64 -4.23 -1.26 -2.04 115.64 112.35 2yu4 s THR 9 Ca 0.02 -0.92 -0.28 0.00 -1.18 0.00 0.00 61.69 59.33 2yu4 s THR 9 Cb -0.15 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 2yu4 s THR 9 CO -0.07 0.51 0.89 0.00 -0.54 0.00 0.00 174.62 175.41 2yu4 n PRO 11 N 3.79 0.03 -0.04 0.00 -0.04 -1.26 -0.11 135.00 137.37 2yu4 n PRO 11 Ca 0.04 0.28 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 2yu4 n PRO 11 Cb 0.51 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.63 0.73 0.25 0.52 5.41 -1.26 -4.54 119.36 118.84 2yu4 n ILE 12 Ca 0.03 0.34 0.14 0.00 1.00 0.00 0.00 62.75 64.26 2yu4 n ILE 12 Cb 0.18 -1.93 0.52 0.00 -0.71 0.00 0.00 39.64 37.70 2yu4 n ILE 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2yu4 h THR 13 N -0.50 0.19 -5.00 1.39 1.35 -1.96 -3.47 112.91 104.92 2yu4 h THR 13 Ca 0.00 -0.82 -0.31 0.00 -0.55 0.00 0.00 66.41 64.73 2yu4 h THR 13 Cb 0.40 1.69 0.12 0.00 -1.73 0.00 0.00 68.15 68.63 2yu4 h THR 13 CO 0.00 0.08 -0.58 0.29 -0.25 0.00 0.00 175.52 175.06 2yu4 n LYS 14 N -3.19 -6.29 -3.97 4.72 4.76 0.85 -5.01 118.16 110.04 2yu4 n LYS 14 Ca 0.01 0.69 -0.09 0.00 -2.87 0.00 0.00 58.31 56.05 2yu4 n LYS 14 Cb 0.39 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.25 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 -5.83 1.65 0.51 1.97 -1.05 -1.23 -4.90 118.70 109.82 2yu4 s GLU 15 Ca 0.35 -1.24 -0.21 0.00 -0.15 0.00 0.00 54.97 53.73 2yu4 s GLU 15 Cb -0.16 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 2yu4 s GLU 15 CO 0.60 -0.71 0.83 -1.91 0.95 0.00 0.00 175.26 175.03 2yu4 n GLU 16 N -0.41 0.94 -3.89 -4.83 2.13 -1.26 -1.28 120.64 112.04 2yu4 n GLU 16 Ca -0.02 0.35 -0.36 0.00 0.66 0.00 0.00 57.16 57.79 2yu4 n GLU 16 Cb 0.61 -1.94 -0.12 0.00 0.27 0.00 0.00 31.44 30.26 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 -2.20 3.66 -0.10 5.31 -1.94 -0.87 -4.76 119.30 118.41 2yu4 s MET 17 Ca 0.68 -0.48 0.08 0.00 -1.71 0.00 0.00 55.69 54.26 2yu4 s MET 17 Cb -0.49 -3.22 -0.24 0.00 2.01 0.00 0.00 34.83 32.89 2yu4 s MET 17 CO 0.53 -0.08 0.44 1.63 -0.01 0.00 0.00 175.02 177.53 2yu4 n LYS 18 N 4.56 0.67 -3.81 2.03 4.76 -1.26 -4.66 118.16 120.46 2yu4 n LYS 18 Ca -0.17 0.23 -0.28 0.00 -2.87 0.00 0.00 58.31 55.22 2yu4 n LYS 18 Cb 0.52 -1.71 -0.12 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.57 1.99 0.12 1.97 3.01 -1.26 -4.99 119.74 118.01 2yu4 s LYS 19 Ca -0.12 -2.85 -0.31 0.00 -1.01 0.00 0.00 55.97 51.68 2yu4 s LYS 19 Cb 0.07 -2.96 -0.08 0.00 -1.01 0.00 0.00 37.83 33.85 2yu4 s LYS 19 CO 0.80 -1.25 1.36 -1.25 0.51 0.00 0.00 175.35 175.51 2yu4 s PRO 20 N -0.77 4.34 -0.05 -1.68 0.04 -1.26 -1.27 135.00 134.35 2yu4 s PRO 20 Ca 0.23 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.34 2yu4 s PRO 20 Cb -0.10 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2yu4 s PRO 20 CO -0.12 -0.39 -0.11 0.14 0.04 0.00 0.00 177.00 176.56 2yu4 s VAL 21 N 0.96 1.00 0.15 -0.36 -7.23 0.88 -2.97 120.40 112.83 2yu4 s VAL 21 Ca 0.63 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 60.32 2yu4 s VAL 21 Cb -0.36 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 2yu4 s VAL 21 CO 0.31 0.32 0.37 -0.75 -0.31 0.00 0.00 175.10 175.04 2yu4 s LYS 22 N 0.44 3.59 -0.27 4.82 2.36 -0.73 -0.55 119.74 129.41 2yu4 s LYS 22 Ca -0.09 -0.15 -0.14 0.00 -2.55 0.00 0.00 55.97 53.05 2yu4 s LYS 22 Cb -0.13 -2.85 -0.04 0.00 -1.05 0.00 0.00 37.83 33.76 2yu4 s LYS 22 CO 0.02 0.46 0.32 1.21 1.55 0.00 0.00 175.35 178.90 2yu4 s ASN 23 N -2.58 6.20 0.58 1.43 2.47 -0.71 -2.40 114.94 119.94 2yu4 s ASN 23 Ca 0.40 0.22 0.35 0.00 0.42 0.00 0.00 52.86 54.25 2yu4 s ASN 23 Cb -0.12 -2.18 1.79 0.00 -1.45 0.00 0.00 41.25 39.29 2yu4 s ASN 23 CO 0.26 -0.13 2.17 0.11 -3.72 0.00 0.00 177.10 175.78 2yu4 h LYS 24 N 8.14 0.00 0.03 0.43 1.57 -1.51 0.22 116.57 125.45 2yu4 h LYS 24 Ca -0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 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 0.62 0.04 -0.02 0.28 -0.57 0.00 0.00 179.45 179.81 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.92 -3.43 116.25 113.47 2yu4 h VAL 25 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2yu4 h VAL 25 Cb 0.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2yu4 h VAL 25 CO 0.01 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 2yu4 n GLY 27 N 1.74 1.62 3.16 0.00 0.00 0.77 -4.99 105.19 107.48 2yu4 n GLY 27 Ca -0.02 0.00 -0.27 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 -3.45 -4.63 1.61 8.25 -1.26 -4.23 115.22 111.51 2yu4 n HIS 28 Ca 0.00 -0.61 -0.23 0.00 -0.26 0.00 0.00 57.72 56.62 2yu4 n HIS 28 Cb 0.00 -1.35 -0.14 0.00 1.12 0.00 0.00 29.99 29.61 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 -2.10 1.32 0.28 1.59 -4.23 -1.26 -1.74 115.64 109.51 2yu4 s THR 29 Ca 0.59 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 2yu4 s THR 29 Cb -0.11 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 2yu4 s THR 29 CO 0.49 0.23 0.29 -0.31 -0.54 0.00 0.00 174.62 174.78 2yu4 s TYR 30 N -0.60 1.32 0.11 3.99 2.02 0.29 -4.93 117.35 119.55 2yu4 s TYR 30 Ca 0.05 -1.43 -0.13 0.00 -0.37 0.00 0.00 57.07 55.20 2yu4 s TYR 30 Cb -0.07 -0.47 -0.06 0.00 -0.40 0.00 0.00 41.96 40.96 2yu4 s TYR 30 CO 0.00 -0.86 0.49 -2.00 -1.57 0.00 0.00 175.55 171.61 2yu4 s GLU 31 N -3.64 3.90 0.02 -0.62 2.12 -1.26 -0.08 118.70 119.13 2yu4 s GLU 31 Ca 0.37 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.01 2yu4 s GLU 31 Cb 0.03 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 2yu4 s GLU 31 CO 0.20 0.52 1.10 1.49 -0.54 0.00 0.00 175.26 178.03 2yu4 h GLU 32 N 3.67 -0.16 -0.98 4.30 4.81 -1.55 0.24 114.58 124.91 2yu4 h GLU 32 Ca -0.49 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.03 2yu4 h GLU 32 Cb 1.19 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2yu4 h GLU 32 CO 0.66 -0.11 0.69 -0.44 -0.73 0.00 0.00 179.01 179.08 2yu4 h ASP 33 N -0.17 0.10 0.46 1.04 3.32 -1.96 0.29 116.42 119.50 2yu4 h ASP 33 Ca -0.01 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2yu4 h ASP 33 Cb 0.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2yu4 h ASP 33 CO -0.02 0.03 -0.22 0.00 -1.72 0.00 0.00 179.24 177.30 2yu4 h ALA 34 N 1.53 -0.74 0.00 3.45 0.00 -1.76 0.25 119.26 121.99 2yu4 h ALA 34 Ca 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2yu4 h ALA 34 Cb 1.77 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2yu4 h ALA 34 CO -0.06 -0.70 -0.00 0.97 0.00 0.00 0.00 179.25 179.46 2yu4 h ILE 35 N -0.95 0.02 0.16 0.00 6.09 0.15 0.27 117.51 123.24 2yu4 h ILE 35 Ca -0.06 -0.15 -0.34 0.00 -1.37 0.00 0.00 64.86 62.95 2yu4 h ILE 35 Cb 0.47 1.14 0.00 0.00 0.47 0.00 0.00 36.82 38.91 2yu4 h ILE 35 CO 0.10 0.00 -1.68 0.58 -3.07 0.00 0.00 178.15 174.08 2yu4 h VAL 36 N 0.00 1.00 0.00 2.19 2.07 -0.42 -3.06 116.25 118.02 2yu4 h VAL 36 Ca -0.00 -2.61 -0.09 0.00 0.82 0.00 0.00 66.70 64.82 2yu4 h VAL 36 Cb 0.14 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2yu4 h VAL 36 CO 0.00 0.84 -0.55 0.08 0.02 0.00 0.00 177.57 177.95 2yu4 h ARG 37 N 0.09 0.00 0.15 1.57 0.11 0.14 -3.12 114.38 113.33 2yu4 h ARG 37 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2yu4 h ARG 37 Cb 2.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.15 2yu4 h ARG 37 CO 0.17 0.36 -0.07 1.98 0.10 0.00 0.00 179.97 182.50 2yu4 h MET 38 N 0.00 -0.20 -0.96 0.08 4.05 -0.62 -1.86 114.93 115.42 2yu4 h MET 38 Ca -0.02 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.51 2yu4 h MET 38 Cb 1.32 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 32.09 2yu4 h MET 38 CO 0.05 0.13 0.60 0.82 0.23 0.00 0.00 176.91 178.74 2yu4 h ILE 39 N -0.98 0.95 -0.39 1.77 2.04 -1.68 0.27 117.51 119.50 2yu4 h ILE 39 Ca -0.02 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 2yu4 h ILE 39 Cb 0.42 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2yu4 h ILE 39 CO 0.03 0.18 -0.34 -0.33 0.00 0.00 0.00 178.15 177.70 2yu4 h GLU 40 N 0.98 0.89 0.00 2.37 5.08 -1.64 0.22 114.58 122.48 2yu4 h GLU 40 Ca 0.46 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2yu4 h GLU 40 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2yu4 h GLU 40 CO -0.24 1.09 -0.27 1.03 -1.00 0.00 0.00 179.01 179.61 2yu4 h SER 41 N 0.74 0.00 0.00 1.42 0.87 -0.38 -2.70 113.55 113.50 2yu4 h SER 41 Ca 0.07 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 2yu4 h SER 41 Cb 0.91 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2yu4 h SER 41 CO 0.08 0.27 -0.78 0.03 -0.53 0.00 0.00 176.83 175.91 2yu4 h ARG 42 N 0.00 0.00 -0.83 2.24 2.47 -0.30 -3.36 114.38 114.61 2yu4 h ARG 42 Ca -0.00 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 2yu4 h ARG 42 Cb 0.85 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.08 2yu4 h ARG 42 CO 0.04 0.79 0.43 1.96 0.56 0.00 0.00 179.97 183.75 2yu4 h GLN 43 N -1.00 0.62 -0.23 0.04 4.20 -0.65 0.34 115.11 118.43 2yu4 h GLN 43 Ca -0.20 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.54 2yu4 h GLN 43 Cb 1.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2yu4 h GLN 43 CO -0.12 0.41 0.26 1.57 -0.67 0.00 0.00 178.83 180.28 2yu4 h LYS 44 N 0.64 0.00 -0.27 1.46 5.09 -1.65 0.16 116.57 122.00 2yu4 h LYS 44 Ca 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 61.11 2yu4 h LYS 44 Cb 0.59 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.88 2yu4 h LYS 44 CO -0.34 0.00 -0.03 0.54 -2.09 0.00 0.00 179.45 177.53 2yu4 n ARG 45 N -3.77 2.30 -2.87 0.07 5.12 0.84 -4.94 116.66 113.40 2yu4 n ARG 45 Ca 0.03 -2.95 -0.18 0.00 -1.93 0.00 0.00 57.85 52.82 2yu4 n ARG 45 Cb 0.39 -1.80 -0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 -0.86 -3.01 -2.20 5.56 5.02 0.56 -4.95 118.16 118.28 2yu4 n LYS 46 Ca 0.25 0.59 -0.20 0.00 -2.02 0.00 0.00 58.31 56.93 2yu4 n LYS 46 Cb 0.92 -5.26 0.11 0.00 -0.02 0.00 0.00 35.03 30.78 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 -3.32 -0.14 -4.86 1.97 4.01 0.83 -4.96 118.16 111.69 2yu4 n LYS 47 Ca -0.09 -2.26 -0.26 0.00 -0.51 0.00 0.00 58.31 55.20 2yu4 n LYS 47 Cb 0.59 -0.64 -0.15 0.00 -0.51 0.00 0.00 35.03 34.31 2yu4 n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2yu4 s LYS 48 N -4.80 1.51 -0.38 1.97 -2.85 -1.26 -4.37 119.74 109.55 2yu4 s LYS 48 Ca 0.58 -0.73 -0.23 0.00 -1.00 0.00 0.00 55.97 54.58 2yu4 s LYS 48 Cb -0.03 -1.48 0.01 0.00 -2.06 0.00 0.00 37.83 34.27 2yu4 s LYS 48 CO 0.38 0.40 0.79 0.00 0.10 0.00 0.00 175.35 177.02 2yu4 s ALA 49 N -0.52 3.40 0.21 0.59 0.00 -1.26 -5.04 121.76 119.15 2yu4 s ALA 49 Ca 0.07 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.41 2yu4 s ALA 49 Cb -0.08 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2yu4 s ALA 49 CO -0.00 -1.56 0.01 1.52 0.00 0.00 0.00 175.76 175.73 2yu4 s TYR 50 N 3.14 2.81 -0.58 0.00 1.13 -1.26 -1.81 117.35 120.79 2yu4 s TYR 50 Ca 0.31 -0.17 -0.31 0.00 -1.41 0.00 0.00 57.07 55.50 2yu4 s TYR 50 Cb -0.13 -1.31 -0.13 0.00 -1.10 0.00 0.00 41.96 39.29 2yu4 s TYR 50 CO 0.18 0.55 2.42 0.00 -2.51 0.00 0.00 175.55 176.19 2yu4 n PRO 52 N 8.57 0.07 -2.05 0.00 -0.04 -1.26 -4.67 135.00 135.62 2yu4 n PRO 52 Ca 0.47 0.22 -0.40 0.00 -0.04 0.00 0.00 63.50 63.74 2yu4 n PRO 52 Cb 0.29 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2yu4 n PRO 52 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2yu4 s GLN 53 N -2.86 2.95 -0.34 0.54 2.00 -1.26 -4.75 119.66 115.94 2yu4 s GLN 53 Ca 0.09 0.92 -0.35 0.00 -2.00 0.00 0.00 55.36 54.02 2yu4 s GLN 53 Cb 0.10 -4.29 -0.11 0.00 0.80 0.00 0.00 33.01 29.50 2yu4 s GLN 53 CO 0.25 -2.34 2.19 -0.89 -0.50 0.00 0.00 175.29 174.01 2yu4 n ILE 54 N 7.27 0.20 0.00 -2.34 -0.00 -1.26 -1.28 119.36 121.94 2yu4 n ILE 54 Ca 0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 2yu4 n ILE 54 Cb 0.50 -1.70 0.00 0.00 -0.00 0.00 0.00 39.64 38.44 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 6.50 1.59 3.91 7.39 0.00 -1.26 -5.13 105.19 118.20 2yu4 n GLY 55 Ca 0.41 0.00 -0.27 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 -2.24 2.44 -4.51 0.00 2.88 -1.26 -5.00 113.62 105.92 2yu4 n SER 57 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2yu4 n SER 57 Cb 0.55 1.07 0.07 0.00 -0.75 0.00 0.00 64.21 65.15 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 -2.18 -0.32 -2.57 0.66 -0.00 -1.26 -4.94 115.22 104.62 2yu4 n HIS 58 Ca -0.11 0.37 -0.01 0.00 -0.00 0.00 0.00 57.72 57.97 2yu4 n HIS 58 Cb 0.61 -1.97 0.05 0.00 -0.00 0.00 0.00 29.99 28.68 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 -2.34 0.37 -3.58 3.57 -2.24 -1.26 -2.82 114.28 105.98 2yu4 n THR 59 Ca 0.11 -1.37 -0.29 0.00 -2.27 0.00 0.00 64.05 60.23 2yu4 n THR 59 Cb 0.49 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.57 2yu4 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yu4 s ASP 60 N -2.01 3.62 -0.06 3.42 2.15 -1.24 -4.41 116.67 118.14 2yu4 s ASP 60 Ca 0.16 -1.39 0.03 0.00 0.43 0.00 0.00 52.55 51.78 2yu4 s ASP 60 Cb 0.32 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 2yu4 s ASP 60 CO -0.09 -0.43 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.70 2yu4 s ILE 61 N 1.96 1.36 0.01 4.11 1.01 -0.75 -4.81 121.20 124.10 2yu4 s ILE 61 Ca 0.09 -0.64 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 41.08 2yu4 s ILE 61 CO -0.33 0.40 -0.21 -0.13 0.00 0.00 0.00 174.94 174.66 2yu4 s ARG 62 N 0.37 1.59 0.59 2.79 0.52 -1.26 -4.62 118.95 118.93 2yu4 s ARG 62 Ca -0.11 -0.86 0.29 0.00 -0.52 0.00 0.00 55.73 54.53 2yu4 s ARG 62 Cb -0.14 -1.62 1.64 0.00 0.52 0.00 0.00 34.95 35.34 2yu4 s ARG 62 CO 0.04 0.43 2.07 -0.22 0.02 0.00 0.00 175.30 177.63 2yu4 h LYS 63 N 5.24 0.00 0.00 3.54 3.64 -1.98 0.24 116.57 127.25 2yu4 h LYS 63 Ca -0.41 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 2yu4 h LYS 63 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2yu4 h LYS 63 CO 0.46 0.00 -0.26 0.77 -2.27 0.00 0.00 179.45 178.15 2yu4 h SER 64 N 0.00 0.00 -0.62 4.20 0.02 -2.03 -2.72 113.55 112.40 2yu4 h SER 64 Ca 0.10 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 2yu4 h SER 64 Cb 0.60 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.01 2yu4 h SER 64 CO -0.00 0.26 0.27 0.47 -1.14 0.00 0.00 176.83 176.69 2yu4 n ASP 65 N -3.46 4.14 -4.42 3.07 8.00 0.84 -4.87 116.55 119.85 2yu4 n ASP 65 Ca -0.00 -3.01 -0.36 0.00 0.71 0.00 0.00 54.79 52.13 2yu4 n ASP 65 Cb 0.43 -0.71 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.38 3.44 0.19 0.64 1.43 -1.03 -1.19 118.68 119.78 2yu4 s LEU 66 Ca 0.44 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2yu4 s LEU 66 Cb 0.35 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2yu4 s LEU 66 CO 0.10 -0.05 -0.16 0.27 0.23 0.00 0.00 176.35 176.74 2yu4 s ILE 67 N 1.59 1.82 -0.49 -0.59 -4.36 -1.01 -5.00 121.20 113.17 2yu4 s ILE 67 Ca 0.06 -2.11 -0.18 0.00 -0.26 0.00 0.00 60.65 58.16 2yu4 s ILE 67 Cb -0.15 -1.98 0.06 0.00 1.25 0.00 0.00 42.46 41.63 2yu4 s ILE 67 CO 0.03 -0.48 0.54 -1.10 0.24 0.00 0.00 174.94 174.17 2yu4 s GLN 68 N -3.31 3.08 -0.38 0.37 -0.21 -1.26 -1.78 119.66 116.18 2yu4 s GLN 68 Ca 0.20 -0.99 -0.28 0.00 0.02 0.00 0.00 55.36 54.31 2yu4 s GLN 68 Cb -0.03 -4.09 -0.01 0.00 1.00 0.00 0.00 33.01 29.88 2yu4 s GLN 68 CO 0.07 -1.12 1.76 0.34 -2.12 0.00 0.00 175.29 174.22 2yu4 s ASP 69 N 2.55 5.86 0.01 5.90 -1.08 -1.16 -4.87 116.67 123.88 2yu4 s ASP 69 Ca 0.12 1.10 -0.23 0.00 -0.52 0.00 0.00 52.55 53.02 2yu4 s ASP 69 Cb -0.20 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.56 2yu4 s ASP 69 CO 0.11 -1.77 1.32 -0.08 0.52 0.00 0.00 175.17 175.27 2yu4 h GLU 70 N 12.89 0.19 -0.29 4.34 4.81 -1.95 -0.49 114.58 134.07 2yu4 h GLU 70 Ca -0.32 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 58.90 2yu4 h GLU 70 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2yu4 h GLU 70 CO 1.07 0.61 0.31 0.00 -0.73 0.00 0.00 179.01 180.26 2yu4 h ALA 71 N 0.58 1.99 0.03 2.92 0.00 -2.00 -1.35 119.26 121.43 2yu4 h ALA 71 Ca 0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2yu4 h ALA 71 Cb 0.57 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2yu4 h ALA 71 CO 0.02 -0.46 -1.21 1.25 0.00 0.00 0.00 179.25 178.85 2yu4 h LEU 72 N 0.00 0.12 -0.18 0.00 5.85 -1.92 -3.26 115.31 115.91 2yu4 h LEU 72 Ca 0.14 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 58.23 2yu4 h LEU 72 Cb 0.75 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2yu4 h LEU 72 CO -0.00 1.49 -0.25 0.03 -0.34 0.00 0.00 178.44 179.37 2yu4 h ARG 73 N -0.76 -0.28 -0.03 1.25 3.08 -0.43 0.49 114.38 117.71 2yu4 h ARG 73 Ca -0.30 0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.77 2yu4 h ARG 73 Cb 1.43 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2yu4 h ARG 73 CO -0.10 -0.19 0.02 0.00 -1.07 0.00 0.00 179.97 178.63 2yu4 h ARG 74 N -0.29 0.00 0.40 0.04 3.08 -1.46 -2.71 114.38 113.44 2yu4 h ARG 74 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2yu4 h ARG 74 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2yu4 h ARG 74 CO -0.35 0.00 -0.19 0.00 -1.07 0.00 0.00 179.97 178.36 2yu4 h ALA 75 N 1.98 -0.54 -0.97 0.04 0.00 -0.98 -1.62 119.26 117.17 2yu4 h ALA 75 Ca 0.01 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.92 2yu4 h ALA 75 Cb 0.06 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2yu4 h ALA 75 CO -0.00 -0.66 0.61 0.82 0.00 0.00 0.00 179.25 180.02 2yu4 h ILE 76 N -0.84 0.73 -0.14 0.00 2.04 -0.99 0.14 117.51 118.46 2yu4 h ILE 76 Ca -0.06 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 2yu4 h ILE 76 Cb 0.55 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2yu4 h ILE 76 CO 0.09 0.12 -0.49 -0.33 0.00 0.00 0.00 178.15 177.55 2yu4 h GLU 77 N 0.68 0.36 0.00 2.37 5.08 -1.42 -1.01 114.58 120.63 2yu4 h GLU 77 Ca 0.53 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 2yu4 h GLU 77 Cb 0.93 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2yu4 h GLU 77 CO -0.29 0.77 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.41 2yu4 h ASN 78 N 0.28 0.00 0.09 1.42 -0.00 0.30 0.61 115.58 118.29 2yu4 h ASN 78 Ca 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 55.95 2yu4 h ASN 78 Cb 0.96 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.26 2yu4 h ASN 78 CO 0.08 0.11 -2.04 1.57 -0.00 0.00 0.00 177.43 177.15 2yu4 n HIS 79 N -3.94 1.02 -0.07 0.67 -0.00 -1.00 -3.96 115.22 107.93 2yu4 n HIS 79 Ca -0.02 0.23 -0.03 0.00 0.46 0.00 0.00 57.72 58.36 2yu4 n HIS 79 Cb 0.20 -1.13 0.20 0.00 -0.12 0.00 0.00 29.99 29.14 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 -0.03 0.65 0.36 0.26 2.35 -0.99 0.53 115.58 118.71 2yu4 h ASN 80 Ca -0.45 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.11 2yu4 h ASN 80 Cb 1.96 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 40.15 2yu4 h ASN 80 CO 0.03 0.74 -0.16 0.07 -1.65 0.00 0.00 177.43 176.46 2yu4 h LYS 81 N 0.64 0.00 0.05 0.81 5.09 -1.05 -3.10 116.57 119.01 2yu4 h LYS 81 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.60 2yu4 h LYS 81 Cb 0.44 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.74 2yu4 h LYS 81 CO 0.02 0.16 -1.45 -0.22 -2.09 0.00 0.00 179.45 175.87 2yu4 h LYS 82 N 0.00 0.11 0.00 0.07 3.64 -1.52 -3.48 116.57 115.38 2yu4 h LYS 82 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2yu4 h LYS 82 Cb 0.39 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2yu4 h LYS 82 CO 0.02 1.09 0.00 0.54 -2.27 0.00 0.00 179.45 178.83 2yu4 n ARG 83 N -4.11 0.00 -2.70 1.90 1.74 0.12 -2.84 116.66 110.77 2yu4 n ARG 83 Ca -0.31 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.71 2yu4 n ARG 83 Cb 0.81 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.34 2yu4 n ARG 83 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2yu4 n HIS 84 N 0.00 -2.09 -3.91 -1.55 -0.00 -1.26 -5.01 115.22 101.41 2yu4 n HIS 84 Ca 0.00 -1.69 -0.29 0.00 -0.00 0.00 0.00 57.72 55.73 2yu4 n HIS 84 Cb 0.00 1.52 -0.16 0.00 -0.00 0.00 0.00 29.99 31.35 2yu4 n HIS 84 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2yu4 s ARG 85 N 0.18 1.50 -0.51 1.57 0.52 -1.13 -5.09 118.95 115.98 2yu4 s ARG 85 Ca 0.19 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.37 2yu4 s ARG 85 Cb 0.32 -2.31 0.03 0.00 0.52 0.00 0.00 34.95 33.50 2yu4 s ARG 85 CO -0.08 -0.52 1.21 -1.01 0.02 0.00 0.00 175.30 174.92 2yu4 s HIS 86 N 1.53 2.66 -0.17 -0.53 3.76 -1.26 -4.99 115.29 116.29 2yu4 s HIS 86 Ca -0.02 0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 55.22 2yu4 s HIS 86 Cb -0.17 -4.45 -0.01 0.00 1.11 0.00 0.00 32.58 29.06 2yu4 s HIS 86 CO -0.07 -1.51 0.87 0.45 -0.85 0.00 0.00 174.74 173.63 2yu4 s SER 87 N 2.94 7.01 0.69 1.40 0.15 -1.26 -5.05 113.70 119.58 2yu4 s SER 87 Ca 0.48 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 58.35 2yu4 s SER 87 Cb -0.08 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2yu4 s SER 87 CO 0.30 -0.43 0.62 -1.84 1.20 0.00 0.00 173.24 173.08 2yu4 n GLU 88 N 5.32 -0.03 0.03 5.44 0.28 -1.26 -5.06 120.64 125.35 2yu4 n GLU 88 Ca 0.06 -1.46 -0.01 0.00 -0.16 0.00 0.00 57.16 55.58 2yu4 n GLU 88 Cb 0.48 -0.48 -0.01 0.00 1.43 0.00 0.00 31.44 32.87 2yu4 n GLU 88 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2yu4 h SER 89 N -0.50 -0.07 -4.40 -1.84 4.64 -2.07 -3.50 113.55 105.80 2yu4 h SER 89 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2yu4 h SER 89 Cb 0.69 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2yu4 h SER 89 CO 0.20 -0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2yu4 n GLY 90 N 0.73 -0.71 3.77 -0.77 0.00 -1.26 -4.97 105.19 101.98 2yu4 n GLY 90 Ca -0.01 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.08 3.98 0.33 1.61 0.04 -1.26 -5.06 135.00 131.56 2yu4 s PRO 91 Ca 0.00 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.94 2yu4 s PRO 91 Cb 0.00 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 2yu4 s PRO 91 CO 0.00 -0.39 0.05 -1.12 0.04 0.00 0.00 177.00 175.58 2yu4 s SER 92 N -1.14 2.53 0.31 6.66 0.01 -1.26 -5.17 113.70 115.64 2yu4 s SER 92 Ca 0.58 -1.38 0.05 0.00 1.31 0.00 0.00 55.95 56.52 2yu4 s SER 92 Cb -0.31 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 2yu4 s SER 92 CO 0.39 -0.60 0.28 -0.55 0.41 0.00 0.00 173.24 173.17 2yu4 s SER 93 N -3.51 1.42 0.00 2.44 0.15 -1.26 -5.34 113.70 107.59 2yu4 s SER 93 Ca 0.36 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2yu4 s SER 93 Cb 0.09 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2yu4 s SER 93 CO 0.16 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.15