#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 -1.03 -0.29 1.61 0.01 -1.26 -5.00 113.70 107.74 2yu4 s SER 2 Ca 0.00 1.05 -0.14 0.00 1.31 0.00 0.00 55.95 58.18 2yu4 s SER 2 Cb 0.00 2.03 0.11 0.00 0.21 0.00 0.00 66.02 68.37 2yu4 s SER 2 CO 0.00 -0.19 0.72 -0.55 0.41 0.00 0.00 173.24 173.63 2yu4 s SER 3 N 2.80 -0.96 0.00 2.44 0.15 -1.26 -5.16 113.70 111.72 2yu4 s SER 3 Ca 0.04 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.11 2yu4 s SER 3 Cb -0.12 1.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.95 2yu4 s SER 3 CO -0.18 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2yu4 n GLY 4 N 4.76 4.87 3.44 9.45 0.00 -1.26 -5.10 105.19 121.34 2yu4 n GLY 4 Ca -0.16 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.24 2yu4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu4 s SER 5 N 1.17 -0.71 0.09 1.61 1.04 -1.26 -5.08 113.70 110.57 2yu4 s SER 5 Ca 0.00 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2yu4 s SER 5 Cb 0.00 1.79 0.00 0.00 0.10 0.00 0.00 66.02 67.91 2yu4 s SER 5 CO 0.00 -0.13 0.00 -1.54 0.98 0.00 0.00 173.24 172.55 2yu4 n SER 6 N 5.10 -0.20 0.00 7.02 3.41 -1.26 -5.16 113.62 122.53 2yu4 n SER 6 Ca -0.09 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2yu4 n SER 6 Cb 0.52 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2yu4 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu4 n GLY 7 N 1.13 4.17 2.79 5.00 0.00 -1.26 -5.12 105.19 111.91 2yu4 n GLY 7 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 3.00 1.03 0.02 1.61 0.08 -1.26 -5.13 117.98 117.33 2yu4 s PHE 8 Ca 0.00 -0.60 0.08 0.00 0.12 0.00 0.00 56.93 56.52 2yu4 s PHE 8 Cb 0.00 -1.00 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 2yu4 s PHE 8 CO 0.00 -0.49 -0.23 0.95 -0.10 0.00 0.00 175.22 175.35 2yu4 s THR 9 N 1.86 1.87 -0.07 0.64 -4.23 -1.26 -2.13 115.64 112.32 2yu4 s THR 9 Ca 0.02 -1.16 -0.23 0.00 -1.18 0.00 0.00 61.69 59.15 2yu4 s THR 9 Cb -0.14 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 2yu4 s THR 9 CO -0.07 0.39 0.68 0.00 -0.54 0.00 0.00 174.62 175.08 2yu4 n PRO 11 N 3.73 0.02 -0.02 0.00 -0.04 -1.26 -0.34 135.00 137.08 2yu4 n PRO 11 Ca -0.02 0.27 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2yu4 n PRO 11 Cb 0.51 -1.53 -0.01 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 -1.57 0.33 0.29 0.52 5.41 -1.26 -4.54 119.36 118.54 2yu4 n ILE 12 Ca 0.03 0.43 0.17 0.00 1.00 0.00 0.00 62.75 64.38 2yu4 n ILE 12 Cb 0.17 -1.69 0.67 0.00 -0.71 0.00 0.00 39.64 38.08 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 -0.22 0.00 -4.62 1.39 1.35 -1.97 -3.46 112.91 105.38 2yu4 h THR 13 Ca 0.00 -0.49 -0.33 0.00 -0.55 0.00 0.00 66.41 65.04 2yu4 h THR 13 Cb 0.18 1.46 0.10 0.00 -1.73 0.00 0.00 68.15 68.16 2yu4 h THR 13 CO 0.00 0.00 -0.54 0.29 -0.25 0.00 0.00 175.52 175.02 2yu4 n LYS 14 N -3.01 -5.83 -2.66 4.72 4.76 0.54 -4.99 118.16 111.68 2yu4 n LYS 14 Ca 0.01 0.70 -0.06 0.00 -2.87 0.00 0.00 58.31 56.09 2yu4 n LYS 14 Cb 0.30 -5.28 -0.02 0.00 -1.84 0.00 0.00 35.03 28.19 2yu4 n LYS 14 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2yu4 n GLU 15 N -3.99 0.19 -2.19 1.97 1.02 -1.23 -4.88 120.64 111.53 2yu4 n GLU 15 Ca -0.02 -1.13 -0.36 0.00 -0.02 0.00 0.00 57.16 55.62 2yu4 n GLU 15 Cb 0.56 0.99 0.01 0.00 -0.02 0.00 0.00 31.44 32.98 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 -2.41 3.43 -0.21 3.49 2.12 -1.26 -0.15 118.70 123.71 2yu4 s GLU 16 Ca 0.13 1.75 -0.06 0.00 0.36 0.00 0.00 54.97 57.14 2yu4 s GLU 16 Cb 0.00 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 2yu4 s GLU 16 CO 0.09 -0.82 0.03 -1.64 -0.54 0.00 0.00 175.26 172.39 2yu4 s MET 17 N -3.05 3.70 -0.20 4.30 -1.94 -0.90 -4.74 119.30 116.47 2yu4 s MET 17 Ca 0.70 -0.47 0.13 0.00 -1.71 0.00 0.00 55.69 54.34 2yu4 s MET 17 Cb -0.28 -3.18 -0.22 0.00 2.01 0.00 0.00 34.83 33.16 2yu4 s MET 17 CO 0.32 0.01 -0.00 1.63 -0.01 0.00 0.00 175.02 176.96 2yu4 n LYS 18 N 4.30 0.79 -3.82 2.03 4.01 -1.26 -4.76 118.16 119.46 2yu4 n LYS 18 Ca -0.17 0.03 -0.28 0.00 -0.51 0.00 0.00 58.31 57.38 2yu4 n LYS 18 Cb 0.52 -1.49 -0.12 0.00 -0.51 0.00 0.00 35.03 33.42 2yu4 n LYS 18 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2yu4 s LYS 19 N -2.47 2.03 0.12 1.97 1.02 -1.26 -5.01 119.74 116.14 2yu4 s LYS 19 Ca -0.15 -2.89 -0.31 0.00 0.02 0.00 0.00 55.97 52.63 2yu4 s LYS 19 Cb 0.06 -3.01 -0.08 0.00 -0.52 0.00 0.00 37.83 34.29 2yu4 s LYS 19 CO 0.73 -1.25 1.35 -1.25 -0.92 0.00 0.00 175.35 174.02 2yu4 s PRO 20 N -0.83 4.34 -0.12 -1.68 0.04 -1.26 -1.15 135.00 134.35 2yu4 s PRO 20 Ca 0.24 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2yu4 s PRO 20 Cb -0.10 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2yu4 s PRO 20 CO -0.12 -0.39 -0.16 0.14 0.04 0.00 0.00 177.00 176.52 2yu4 s VAL 21 N 0.95 1.55 0.08 -0.36 -7.23 0.87 -2.62 120.40 113.64 2yu4 s VAL 21 Ca 0.63 -0.67 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2yu4 s VAL 21 Cb -0.36 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2yu4 s VAL 21 CO 0.31 0.45 0.30 -0.75 -0.31 0.00 0.00 175.10 175.10 2yu4 s LYS 22 N 1.04 3.57 0.21 4.82 2.20 0.56 -1.65 119.74 130.48 2yu4 s LYS 22 Ca -0.05 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 2yu4 s LYS 22 Cb -0.15 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 2yu4 s LYS 22 CO -0.03 0.57 0.44 1.21 -0.36 0.00 0.00 175.35 177.17 2yu4 s ASN 23 N -2.19 6.44 0.13 1.43 2.47 -1.04 -1.05 114.94 121.14 2yu4 s ASN 23 Ca 0.35 0.56 0.19 0.00 0.42 0.00 0.00 52.86 54.37 2yu4 s ASN 23 Cb -0.13 -2.08 -0.06 0.00 -1.45 0.00 0.00 41.25 37.53 2yu4 s ASN 23 CO 0.22 -0.06 0.96 0.11 -3.72 0.00 0.00 177.10 174.62 2yu4 h LYS 24 N 2.15 0.00 0.02 0.43 1.57 -1.70 -3.10 116.57 115.95 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 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2yu4 h LYS 24 CO 0.69 0.20 -0.01 0.28 -0.57 0.00 0.00 179.45 180.04 2yu4 h VAL 25 N 0.00 0.00 0.00 0.50 2.07 -1.93 -3.43 116.25 113.46 2yu4 h VAL 25 Ca -0.09 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2yu4 h VAL 25 Cb 1.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2yu4 h VAL 25 CO 0.03 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.55 2yu4 n GLY 27 N 1.83 1.35 3.20 0.00 0.00 -1.17 -5.00 105.19 105.39 2yu4 n GLY 27 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.91 -4.34 1.61 8.25 -1.26 -4.33 115.22 112.24 2yu4 n HIS 28 Ca 0.00 -0.44 -0.18 0.00 -0.26 0.00 0.00 57.72 56.83 2yu4 n HIS 28 Cb 0.00 -1.42 -0.15 0.00 1.12 0.00 0.00 29.99 29.55 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 -2.15 0.67 0.31 1.59 -4.23 -1.26 -2.48 115.64 108.09 2yu4 s THR 29 Ca 0.58 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2yu4 s THR 29 Cb -0.12 -0.57 -0.02 0.00 1.34 0.00 0.00 72.50 73.12 2yu4 s THR 29 CO 0.52 0.19 0.31 -0.31 -0.54 0.00 0.00 174.62 174.79 2yu4 s TYR 30 N -0.13 1.47 0.25 3.99 2.02 -0.66 -4.92 117.35 119.37 2yu4 s TYR 30 Ca 0.02 -1.51 -0.16 0.00 -0.37 0.00 0.00 57.07 55.05 2yu4 s TYR 30 Cb -0.04 -0.52 -0.08 0.00 -0.40 0.00 0.00 41.96 40.92 2yu4 s TYR 30 CO -0.00 -0.90 0.68 -2.00 -1.57 0.00 0.00 175.55 171.75 2yu4 s GLU 31 N -3.48 4.06 0.01 -0.62 2.12 -1.26 -0.09 118.70 119.44 2yu4 s GLU 31 Ca 0.38 0.66 -0.06 0.00 0.36 0.00 0.00 54.97 56.30 2yu4 s GLU 31 Cb 0.02 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 2yu4 s GLU 31 CO 0.23 0.31 1.10 1.49 -0.54 0.00 0.00 175.26 177.84 2yu4 h GLU 32 N 2.89 -0.16 -0.91 4.30 4.81 -1.50 0.21 114.58 124.21 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 0.66 -0.11 0.66 -0.44 -0.73 0.00 0.00 179.01 179.04 2yu4 h ASP 33 N -0.17 0.02 0.45 1.04 3.32 -1.95 0.29 116.42 119.41 2yu4 h ASP 33 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2yu4 h ASP 33 Cb 0.15 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2yu4 h ASP 33 CO -0.01 0.01 -0.22 0.00 -1.72 0.00 0.00 179.24 177.29 2yu4 h ALA 34 N 1.55 -0.73 0.00 3.45 0.00 -1.78 0.25 119.26 122.00 2yu4 h ALA 34 Ca 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2yu4 h ALA 34 Cb 1.73 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2yu4 h ALA 34 CO -0.01 -0.68 -0.01 0.97 0.00 0.00 0.00 179.25 179.51 2yu4 h ILE 35 N -0.95 0.07 0.16 0.00 6.09 0.06 0.25 117.51 123.20 2yu4 h ILE 35 Ca -0.06 -0.20 -0.33 0.00 -1.37 0.00 0.00 64.86 62.89 2yu4 h ILE 35 Cb 0.46 1.19 0.00 0.00 0.47 0.00 0.00 36.82 38.94 2yu4 h ILE 35 CO 0.10 0.01 -1.66 0.58 -3.07 0.00 0.00 178.15 174.11 2yu4 h VAL 36 N 0.00 1.03 0.00 2.19 2.07 -0.43 -3.07 116.25 118.04 2yu4 h VAL 36 Ca -0.00 -2.62 -0.11 0.00 0.82 0.00 0.00 66.70 64.78 2yu4 h VAL 36 Cb 0.19 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2yu4 h VAL 36 CO 0.00 0.84 -0.64 0.08 0.02 0.00 0.00 177.57 177.87 2yu4 h ARG 37 N 0.09 0.00 0.22 1.57 0.11 0.05 -3.10 114.38 113.33 2yu4 h ARG 37 Ca -0.30 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 33.16 2yu4 h ARG 37 CO 0.18 0.47 -0.11 1.98 0.10 0.00 0.00 179.97 182.59 2yu4 h MET 38 N 0.00 -0.29 -0.51 0.08 4.05 -0.64 -1.68 114.93 115.94 2yu4 h MET 38 Ca -0.03 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.49 2yu4 h MET 38 Cb 1.41 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 32.22 2yu4 h MET 38 CO 0.06 0.00 0.16 0.82 0.23 0.00 0.00 176.91 178.19 2yu4 h ILE 39 N -0.99 0.79 -0.72 1.77 2.04 -1.68 0.26 117.51 118.97 2yu4 h ILE 39 Ca -0.03 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2yu4 h ILE 39 Cb 0.43 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2yu4 h ILE 39 CO 0.05 0.06 0.23 -0.33 0.00 0.00 0.00 178.15 178.16 2yu4 h GLU 40 N 0.32 1.12 -0.36 2.37 5.08 -1.65 -1.01 114.58 120.45 2yu4 h GLU 40 Ca 0.25 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2yu4 h GLU 40 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2yu4 h GLU 40 CO -0.28 0.96 -0.20 0.77 -1.00 0.00 0.00 179.01 179.26 2yu4 h SER 41 N 1.07 0.70 0.04 1.42 0.02 -0.37 -2.88 113.55 113.55 2yu4 h SER 41 Ca 0.23 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2yu4 h SER 41 Cb 0.30 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2yu4 h SER 41 CO -0.01 0.90 -0.02 0.03 -1.14 0.00 0.00 176.83 176.59 2yu4 h ARG 42 N 0.62 -0.05 -0.84 3.45 2.47 -0.22 -3.04 114.38 116.76 2yu4 h ARG 42 Ca 0.09 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 59.03 2yu4 h ARG 42 Cb 0.68 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.97 2yu4 h ARG 42 CO 0.05 0.37 0.58 1.96 0.56 0.00 0.00 179.97 183.49 2yu4 h GLN 43 N -0.48 0.20 -0.97 0.04 1.08 -1.17 0.31 115.11 114.11 2yu4 h GLN 43 Ca -0.01 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2yu4 h GLN 43 Cb 0.44 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.77 2yu4 h GLN 43 CO 0.01 0.13 0.64 0.87 -0.95 0.00 0.00 178.83 179.53 2yu4 h LYS 44 N 0.20 1.23 -0.76 1.46 1.79 -1.39 -1.64 116.57 117.46 2yu4 h LYS 44 Ca 0.42 -0.07 -0.26 0.00 -2.18 0.00 0.00 60.65 58.56 2yu4 h LYS 44 Cb 1.33 -0.28 -0.15 0.00 -1.58 0.00 0.00 32.23 31.55 2yu4 h LYS 44 CO -0.09 0.81 0.32 -2.13 -1.08 0.00 0.00 179.45 177.28 2yu4 n ARG 45 N -4.44 3.45 -2.04 3.15 0.63 0.32 -4.89 116.66 112.84 2yu4 n ARG 45 Ca 0.12 -3.09 -0.17 0.00 -0.92 0.00 0.00 57.85 53.79 2yu4 n ARG 45 Cb 0.06 -2.20 -0.04 0.00 0.45 0.00 0.00 32.46 30.73 2yu4 n ARG 45 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2yu4 n LYS 46 N -0.34 -1.69 -1.89 -0.14 5.02 -0.62 -4.96 118.16 113.55 2yu4 n LYS 46 Ca 0.43 0.93 -0.21 0.00 -2.02 0.00 0.00 58.31 57.44 2yu4 n LYS 46 Cb 1.42 -5.44 0.13 0.00 -0.02 0.00 0.00 35.03 31.12 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 -2.61 -0.45 -4.26 1.97 5.02 0.83 -4.94 118.16 113.72 2yu4 n LYS 47 Ca -0.19 -1.95 -0.19 0.00 -2.02 0.00 0.00 58.31 53.96 2yu4 n LYS 47 Cb 0.62 -0.78 -0.13 0.00 -0.02 0.00 0.00 35.03 34.72 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 -4.91 0.86 -0.16 1.97 -2.85 -1.26 -4.13 119.74 109.26 2yu4 s LYS 48 Ca 0.56 -0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 54.40 2yu4 s LYS 48 Cb -0.02 -0.87 -0.01 0.00 -2.06 0.00 0.00 37.83 34.87 2yu4 s LYS 48 CO 0.38 0.20 1.13 0.00 0.10 0.00 0.00 175.35 177.17 2yu4 s ALA 49 N -1.04 3.60 0.18 0.59 0.00 -1.26 -5.01 121.76 118.82 2yu4 s ALA 49 Ca -0.00 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.42 2yu4 s ALA 49 Cb -0.09 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2yu4 s ALA 49 CO 0.02 -0.97 -0.17 1.52 0.00 0.00 0.00 175.76 176.15 2yu4 s TYR 50 N 2.94 1.82 -0.58 0.00 -0.85 -1.26 -0.78 117.35 118.64 2yu4 s TYR 50 Ca 0.50 -0.48 -0.31 0.00 -0.52 0.00 0.00 57.07 56.26 2yu4 s TYR 50 Cb -0.19 -0.89 -0.13 0.00 0.38 0.00 0.00 41.96 41.13 2yu4 s TYR 50 CO 0.13 0.36 2.42 0.00 -1.52 0.00 0.00 175.55 176.94 2yu4 n PRO 52 N 8.58 0.10 -1.93 0.00 -0.04 -1.26 -4.67 135.00 135.78 2yu4 n PRO 52 Ca 0.47 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.87 2yu4 n PRO 52 Cb 0.29 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 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 -3.17 2.83 -0.54 0.54 2.00 -1.26 -4.88 119.66 115.19 2yu4 s GLN 53 Ca 0.05 1.10 -0.31 0.00 -2.00 0.00 0.00 55.36 54.21 2yu4 s GLN 53 Cb 0.09 -4.35 -0.12 0.00 0.80 0.00 0.00 33.01 29.43 2yu4 s GLN 53 CO 0.33 -2.46 2.38 -0.89 -0.50 0.00 0.00 175.29 174.14 2yu4 n ILE 54 N 7.43 0.06 0.00 -2.34 5.41 -1.26 -1.33 119.36 127.33 2yu4 n ILE 54 Ca 0.24 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2yu4 n ILE 54 Cb 0.50 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 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 6.34 1.23 3.85 7.39 0.00 -1.26 -5.13 105.19 117.60 2yu4 n GLY 55 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.43 0.13 -4.48 0.00 2.88 -1.26 -4.98 113.62 105.48 2yu4 n SER 57 Ca 0.04 0.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.29 2yu4 n SER 57 Cb 0.53 1.32 0.09 0.00 -0.75 0.00 0.00 64.21 65.40 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 -2.55 -0.71 -2.40 0.66 -0.00 -1.26 -4.96 115.22 104.00 2yu4 n HIS 58 Ca -0.16 0.33 -0.03 0.00 -0.00 0.00 0.00 57.72 57.86 2yu4 n HIS 58 Cb 0.84 -1.91 0.02 0.00 -0.00 0.00 0.00 29.99 28.94 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 0.16 -3.58 3.57 -2.24 -1.26 -3.55 114.28 104.66 2yu4 n THR 59 Ca 0.10 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.74 2yu4 n THR 59 Cb 0.51 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.55 3.61 -0.07 3.42 -1.08 -1.24 -4.54 116.67 115.23 2yu4 s ASP 60 Ca 0.12 -1.41 0.03 0.00 -0.52 0.00 0.00 52.55 50.77 2yu4 s ASP 60 Cb 0.25 -0.46 0.01 0.00 -1.46 0.00 0.00 42.92 41.26 2yu4 s ASP 60 CO -0.07 -0.43 -0.15 -0.63 0.52 0.00 0.00 175.17 174.40 2yu4 s ILE 61 N 1.95 1.36 -0.00 4.11 1.01 0.04 -4.89 121.20 124.78 2yu4 s ILE 61 Ca 0.10 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.19 2yu4 s ILE 61 Cb -0.17 -1.21 -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 0.00 174.94 174.67 2yu4 s ARG 62 N 0.45 1.66 0.59 2.79 0.52 -1.26 -4.38 118.95 119.31 2yu4 s ARG 62 Ca -0.13 -0.80 0.28 0.00 -0.52 0.00 0.00 55.73 54.57 2yu4 s ARG 62 Cb -0.15 -1.64 1.62 0.00 0.52 0.00 0.00 34.95 35.30 2yu4 s ARG 62 CO 0.04 0.44 2.07 -0.22 0.02 0.00 0.00 175.30 177.66 2yu4 h LYS 63 N 5.46 0.00 0.00 3.54 3.64 -1.97 0.24 116.57 127.48 2yu4 h LYS 63 Ca -0.40 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.92 2yu4 h LYS 63 Cb 1.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2yu4 h LYS 63 CO 0.47 0.00 -0.28 1.03 -2.27 0.00 0.00 179.45 178.40 2yu4 h SER 64 N 0.00 0.00 -0.58 4.20 0.87 -2.04 -2.82 113.55 113.18 2yu4 h SER 64 Ca 0.11 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 2yu4 h SER 64 Cb 0.59 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.45 2yu4 h SER 64 CO -0.00 0.28 0.21 0.47 -0.53 0.00 0.00 176.83 177.26 2yu4 n ASP 65 N -3.40 4.22 -4.49 6.23 8.00 0.84 -4.88 116.55 123.06 2yu4 n ASP 65 Ca 0.00 -2.94 -0.35 0.00 0.71 0.00 0.00 54.79 52.21 2yu4 n ASP 65 Cb 0.48 -0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.31 3.44 0.19 0.64 1.43 -1.07 -1.67 118.68 119.33 2yu4 s LEU 66 Ca 0.43 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2yu4 s LEU 66 Cb 0.34 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2yu4 s LEU 66 CO 0.11 0.06 -0.08 0.27 0.23 0.00 0.00 176.35 176.94 2yu4 s ILE 67 N 1.03 1.25 -0.18 -0.59 -4.36 -0.21 -4.99 121.20 113.15 2yu4 s ILE 67 Ca 0.03 -2.08 -0.22 0.00 -0.26 0.00 0.00 60.65 58.12 2yu4 s ILE 67 Cb -0.14 -2.05 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 2yu4 s ILE 67 CO 0.02 -0.58 0.68 -1.10 0.24 0.00 0.00 174.94 174.20 2yu4 s GLN 68 N -3.76 4.26 -0.65 0.37 -0.21 -1.26 -0.32 119.66 118.08 2yu4 s GLN 68 Ca 0.22 0.73 -0.22 0.00 0.02 0.00 0.00 55.36 56.11 2yu4 s GLN 68 Cb 0.03 -3.56 0.08 0.00 1.00 0.00 0.00 33.01 30.56 2yu4 s GLN 68 CO 0.04 -0.22 0.92 0.34 -2.12 0.00 0.00 175.29 174.25 2yu4 s ASP 69 N 1.14 6.18 0.09 5.90 2.15 -1.08 -4.85 116.67 126.19 2yu4 s ASP 69 Ca 0.32 -1.08 -0.17 0.00 0.43 0.00 0.00 52.55 52.05 2yu4 s ASP 69 Cb -0.16 -2.40 -0.09 0.00 -0.30 0.00 0.00 42.92 39.97 2yu4 s ASP 69 CO 0.12 -1.38 1.43 -0.08 -0.17 0.00 0.00 175.17 175.09 2yu4 h GLU 70 N 9.49 0.58 -0.81 4.34 4.81 -1.95 -0.16 114.58 130.88 2yu4 h GLU 70 Ca -0.29 -0.27 0.23 0.00 -0.13 0.00 0.00 59.36 58.90 2yu4 h GLU 70 Cb 1.07 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2yu4 h GLU 70 CO 1.17 0.85 0.58 0.00 -0.73 0.00 0.00 179.01 180.88 2yu4 h ALA 71 N 0.72 2.72 0.10 2.92 0.00 -2.00 -0.66 119.26 123.05 2yu4 h ALA 71 Ca 0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 2yu4 h ALA 71 Cb 0.70 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2yu4 h ALA 71 CO 0.05 -0.95 -1.95 -0.11 0.00 0.00 0.00 179.25 176.28 2yu4 n LEU 72 N -4.31 2.55 -0.22 0.00 0.00 -1.11 -3.63 117.00 110.28 2yu4 n LEU 72 Ca 0.17 0.21 0.02 0.00 0.00 0.00 0.00 56.01 56.40 2yu4 n LEU 72 Cb 0.86 -1.08 0.13 0.00 0.00 0.00 0.00 43.42 43.34 2yu4 n LEU 72 CO 0.38 0.78 1.01 0.03 0.00 0.00 0.00 177.39 179.58 2yu4 h ARG 73 N -0.10 0.43 -0.01 1.96 3.08 0.01 0.19 114.38 119.94 2yu4 h ARG 73 Ca -0.43 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.49 2yu4 h ARG 73 Cb 1.92 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 2yu4 h ARG 73 CO 0.02 0.29 -0.45 0.00 -1.07 0.00 0.00 179.97 178.76 2yu4 h ARG 74 N 0.45 0.02 -0.19 0.04 3.08 -1.34 -3.09 114.38 113.34 2yu4 h ARG 74 Ca 0.34 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2yu4 h ARG 74 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2yu4 h ARG 74 CO -0.33 0.47 0.10 0.00 -1.07 0.00 0.00 179.97 179.13 2yu4 h ALA 75 N 1.53 0.25 -0.98 0.04 0.00 -1.05 -1.22 119.26 117.84 2yu4 h ALA 75 Ca -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2yu4 h ALA 75 Cb 0.80 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2yu4 h ALA 75 CO 0.06 -0.20 0.63 0.82 0.00 0.00 0.00 179.25 180.56 2yu4 h ILE 76 N 0.19 1.10 -0.16 0.00 2.04 -1.31 -1.35 117.51 118.02 2yu4 h ILE 76 Ca 0.07 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 2yu4 h ILE 76 Cb 0.11 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 2yu4 h ILE 76 CO -0.01 0.21 -0.43 -0.33 0.00 0.00 0.00 178.15 177.59 2yu4 h GLU 77 N 1.15 0.38 0.00 2.37 5.08 -1.46 -1.48 114.58 120.63 2yu4 h GLU 77 Ca 0.41 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2yu4 h GLU 77 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2yu4 h GLU 77 CO -0.16 0.75 -0.27 -0.97 -1.00 0.00 0.00 179.01 177.37 2yu4 h ASN 78 N 0.31 0.00 0.68 1.42 -1.24 -0.11 -2.48 115.58 114.15 2yu4 h ASN 78 Ca 0.02 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.78 2yu4 h ASN 78 Cb 0.89 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.90 2yu4 h ASN 78 CO 0.07 0.27 -1.46 -0.74 -1.29 0.00 0.00 177.43 174.28 2yu4 h HIS 79 N 0.00 0.00 -0.30 0.67 2.76 -1.15 -3.34 115.15 113.79 2yu4 h HIS 79 Ca -0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2yu4 h HIS 79 Cb 0.50 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2yu4 h HIS 79 CO 0.00 0.93 -0.18 -0.91 -1.30 0.00 0.00 177.93 176.46 2yu4 h ASN 80 N 0.00 0.53 -0.14 3.26 2.35 -0.94 -2.50 115.58 118.15 2yu4 h ASN 80 Ca -0.19 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.43 2yu4 h ASN 80 Cb 1.88 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 40.10 2yu4 h ASN 80 CO 0.09 0.73 0.13 0.07 -1.65 0.00 0.00 177.43 176.79 2yu4 h LYS 81 N 0.49 0.00 -0.16 0.81 5.09 -1.58 -0.74 116.57 120.49 2yu4 h LYS 81 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.65 2yu4 h LYS 81 Cb 0.60 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.92 2yu4 h LYS 81 CO 0.04 0.00 -0.62 0.87 -2.09 0.00 0.00 179.45 177.65 2yu4 h LYS 82 N 0.00 0.55 -4.60 0.07 1.57 -1.63 -3.49 116.57 109.04 2yu4 h LYS 82 Ca 0.07 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2yu4 h LYS 82 Cb 0.32 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 2yu4 h LYS 82 CO -0.00 1.00 -1.23 0.54 -0.57 0.00 0.00 179.45 179.18 2yu4 n ARG 83 N -3.92 -4.15 -3.00 3.15 1.74 -0.28 -4.89 116.66 105.30 2yu4 n ARG 83 Ca -0.04 3.15 -0.44 0.00 -0.77 0.00 0.00 57.85 59.75 2yu4 n ARG 83 Cb 0.65 -4.41 -0.04 0.00 -1.02 0.00 0.00 32.46 27.64 2yu4 n ARG 83 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2yu4 s HIS 84 N -0.56 2.94 -0.03 -1.55 2.46 -1.26 -5.01 115.29 112.29 2yu4 s HIS 84 Ca -0.18 -0.94 -0.33 0.00 0.47 0.00 0.00 55.06 54.08 2yu4 s HIS 84 Cb 0.01 -4.15 -0.12 0.00 -0.13 0.00 0.00 32.58 28.20 2yu4 s HIS 84 CO 0.48 -1.44 1.85 0.54 -2.47 0.00 0.00 174.74 173.70 2yu4 n ARG 85 N 6.74 2.30 -2.81 2.88 3.00 -1.26 -3.64 116.66 123.87 2yu4 n ARG 85 Ca -0.01 0.84 -0.03 0.00 -0.01 0.00 0.00 57.85 58.65 2yu4 n ARG 85 Cb 0.45 -2.69 0.00 0.00 0.00 0.00 0.00 32.46 30.22 2yu4 n ARG 85 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2yu4 n HIS 86 N 6.23 -3.56 -3.04 -1.55 -0.00 -1.26 -4.95 115.22 107.09 2yu4 n HIS 86 Ca 0.21 1.55 -0.40 0.00 0.46 0.00 0.00 57.72 59.54 2yu4 n HIS 86 Cb 0.31 -3.74 -0.05 0.00 -0.12 0.00 0.00 29.99 26.39 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 -1.78 7.09 0.32 0.26 0.01 -1.24 -5.05 113.70 113.30 2yu4 s SER 87 Ca 0.06 1.30 -0.12 0.00 1.31 0.00 0.00 55.95 58.50 2yu4 s SER 87 Cb -0.02 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.80 2yu4 s SER 87 CO 0.72 -0.02 0.60 -1.61 0.41 0.00 0.00 173.24 173.34 2yu4 s GLU 88 N 0.27 1.88 -0.09 12.44 2.02 -1.26 -5.16 118.70 128.79 2yu4 s GLU 88 Ca 0.37 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.96 2yu4 s GLU 88 Cb -0.19 0.53 0.02 0.00 0.10 0.00 0.00 34.13 34.59 2yu4 s GLU 88 CO 0.20 -0.82 -0.07 -1.54 0.02 0.00 0.00 175.26 173.05 2yu4 s SER 89 N -3.08 1.87 -0.47 -0.19 1.04 -1.26 -5.06 113.70 106.55 2yu4 s SER 89 Ca 0.21 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2yu4 s SER 89 Cb -0.03 -0.72 0.20 0.00 0.10 0.00 0.00 66.02 65.57 2yu4 s SER 89 CO 0.12 -0.10 0.82 -0.83 0.98 0.00 0.00 173.24 174.23 2yu4 s GLY 90 N 1.50 -1.42 1.05 7.32 0.00 -1.26 -5.16 107.32 109.35 2yu4 s GLY 90 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.42 2yu4 s GLY 90 CO -0.05 3.82 1.10 2.56 0.00 0.00 0.00 173.10 180.53 2yu4 s PRO 91 N 0.92 -0.02 -1.25 2.90 0.04 -1.26 -4.93 135.00 131.39 2yu4 s PRO 91 Ca 0.28 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 2yu4 s PRO 91 Cb 0.03 -1.70 0.16 0.00 0.04 0.00 0.00 34.50 33.03 2yu4 s PRO 91 CO -0.06 -3.00 1.66 0.43 0.04 0.00 0.00 177.00 176.07 2yu4 n SER 92 N -4.34 5.11 -3.51 6.66 7.64 -1.26 -4.90 113.62 119.02 2yu4 n SER 92 Ca 0.07 -3.02 -0.17 0.00 1.01 0.00 0.00 58.87 56.75 2yu4 n SER 92 Cb 0.58 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.18 2yu4 n SER 92 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu4 s SER 93 N 2.12 -0.64 0.00 6.43 0.15 -1.26 -5.20 113.70 115.30 2yu4 s SER 93 Ca 0.42 0.61 0.25 0.00 0.70 0.00 0.00 55.95 57.93 2yu4 s SER 93 Cb 0.03 0.55 1.48 0.00 -1.71 0.00 0.00 66.02 66.37 2yu4 s SER 93 CO 0.00 -0.66 1.84 0.61 1.20 0.00 0.00 173.24 176.23