#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu7 n SER 2 N 0.00 -3.43 -4.51 1.61 2.88 -1.26 -5.00 113.62 103.91 2yu7 n SER 2 Ca 0.00 -0.29 -0.41 0.00 -1.33 0.00 0.00 58.87 56.83 2yu7 n SER 2 Cb 0.00 -2.86 -0.10 0.00 -0.75 0.00 0.00 64.21 60.50 2yu7 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yu7 s SER 3 N -3.36 6.09 0.00 -3.46 0.01 -1.26 -4.98 113.70 106.73 2yu7 s SER 3 Ca 0.19 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2yu7 s SER 3 Cb -0.08 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2yu7 s SER 3 CO 0.38 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2yu7 n GLY 4 N 5.11 3.04 3.41 3.44 0.00 -1.26 -5.09 105.19 113.84 2yu7 n GLY 4 Ca -0.12 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 2yu7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu7 s SER 5 N 2.00 6.36 0.42 1.61 0.15 -1.26 -5.03 113.70 117.96 2yu7 s SER 5 Ca 0.00 -1.61 0.08 0.00 0.70 0.00 0.00 55.95 55.12 2yu7 s SER 5 Cb 0.00 -2.35 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2yu7 s SER 5 CO 0.00 -1.14 0.49 -0.44 1.20 0.00 0.00 173.24 173.36 2yu7 s SER 6 N 3.51 5.39 0.00 5.45 0.01 -1.26 -5.11 113.70 121.69 2yu7 s SER 6 Ca 0.21 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2yu7 s SER 6 Cb -0.16 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2yu7 s SER 6 CO 0.01 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2yu7 n GLY 7 N -1.73 -1.13 0.08 3.44 0.00 -1.26 -5.02 105.19 99.57 2yu7 n GLY 7 Ca 0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 2yu7 n GLY 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2yu7 h TRP 8 N 0.00 0.00 -1.83 1.61 5.08 -1.76 -3.32 115.95 115.72 2yu7 h TRP 8 Ca 0.00 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.30 2yu7 h TRP 8 Cb 0.00 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.18 2yu7 h TRP 8 CO 0.00 0.92 0.92 0.98 -1.28 0.00 0.00 178.44 179.98 2yu7 n TYR 9 N -3.07 2.13 -0.01 0.12 9.36 -1.26 -4.30 117.16 120.12 2yu7 n TYR 9 Ca -0.12 0.30 -0.01 0.00 3.32 0.00 0.00 57.90 61.38 2yu7 n TYR 9 Cb 0.99 -2.54 -0.00 0.00 -0.63 0.00 0.00 39.34 37.16 2yu7 n TYR 9 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2yu7 n HIS 10 N 5.37 0.11 0.00 2.98 8.25 -1.06 -4.47 115.22 126.40 2yu7 n HIS 10 Ca 0.23 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2yu7 n HIS 10 Cb 0.22 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2yu7 n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yu7 n GLY 11 N 1.64 2.04 3.09 -1.41 0.00 -1.26 -4.97 105.19 104.32 2yu7 n GLY 11 Ca -0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2yu7 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yu7 s HIS 12 N 0.00 2.12 -0.13 1.61 2.46 -1.26 -2.56 115.29 117.53 2yu7 s HIS 12 Ca 0.00 -0.99 -0.30 0.00 0.47 0.00 0.00 55.06 54.23 2yu7 s HIS 12 Cb 0.00 -1.50 0.13 0.00 -0.13 0.00 0.00 32.58 31.08 2yu7 s HIS 12 CO 0.00 -0.49 1.02 1.41 -2.47 0.00 0.00 174.74 174.21 2yu7 s MET 13 N 0.88 0.59 0.05 2.88 0.00 -1.26 -4.92 119.30 117.52 2yu7 s MET 13 Ca -0.08 -0.04 0.09 0.00 0.00 0.00 0.00 55.69 55.66 2yu7 s MET 13 Cb -0.15 0.27 -0.03 0.00 0.00 0.00 0.00 34.83 34.92 2yu7 s MET 13 CO -0.00 -0.22 -0.23 -1.54 0.00 0.00 0.00 175.02 173.02 2yu7 s SER 14 N -1.68 3.43 0.63 1.11 1.04 -1.26 -4.51 113.70 112.45 2yu7 s SER 14 Ca 0.03 -0.55 0.20 0.00 0.48 0.00 0.00 55.95 56.11 2yu7 s SER 14 Cb -0.01 -0.40 0.84 0.00 0.10 0.00 0.00 66.02 66.55 2yu7 s SER 14 CO -0.03 0.25 1.40 1.23 0.98 0.00 0.00 173.24 177.07 2yu7 h GLY 15 N 4.59 0.00 1.61 7.32 0.00 -1.99 0.99 103.07 115.59 2yu7 h GLY 15 Ca -0.47 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.58 2yu7 h GLY 15 CO 0.45 0.00 -1.26 -1.33 0.00 0.00 0.00 176.54 174.40 2yu7 h GLY 16 N 0.00 0.30 1.05 4.60 0.00 -2.01 -3.25 103.07 103.76 2yu7 h GLY 16 Ca 0.23 -0.78 -0.24 0.00 0.00 0.00 0.00 47.33 46.54 2yu7 h GLY 16 CO -0.00 0.68 -0.99 -1.61 0.00 0.00 0.00 176.54 174.61 2yu7 h GLN 17 N 0.07 0.56 0.18 4.80 4.15 0.59 -3.30 115.11 122.16 2yu7 h GLN 17 Ca -0.14 -0.69 0.01 0.00 0.77 0.00 0.00 58.65 58.60 2yu7 h GLN 17 Cb 1.97 0.22 -0.04 0.00 0.21 0.00 0.00 27.48 29.84 2yu7 h GLN 17 CO 0.20 1.29 -0.47 0.00 -1.93 0.00 0.00 178.83 177.92 2yu7 h ALA 18 N 0.30 -0.99 -1.14 3.38 0.00 -1.44 0.28 119.26 119.65 2yu7 h ALA 18 Ca -0.14 -0.12 0.35 0.00 0.00 0.00 0.00 54.91 55.01 2yu7 h ALA 18 Cb 1.69 0.82 -0.12 0.00 0.00 0.00 0.00 17.79 20.17 2yu7 h ALA 18 CO 0.19 -1.08 0.71 0.93 0.00 0.00 0.00 179.25 180.00 2yu7 h GLU 19 N -0.72 0.23 -0.03 0.00 5.08 -1.70 0.41 114.58 117.86 2yu7 h GLU 19 Ca -0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2yu7 h GLU 19 Cb 0.70 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2yu7 h GLU 19 CO -0.21 0.15 -0.43 1.15 -1.00 0.00 0.00 179.01 178.68 2yu7 h THR 20 N 0.24 1.45 0.42 1.13 2.02 -1.29 -2.95 112.91 113.93 2yu7 h THR 20 Ca 0.73 -1.92 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 2yu7 h THR 20 Cb 2.00 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.93 2yu7 h THR 20 CO -0.44 0.55 -0.20 -0.07 0.37 0.00 0.00 175.52 175.73 2yu7 h LEU 21 N -0.19 -0.48 -0.87 2.58 3.38 0.29 -0.12 115.31 119.90 2yu7 h LEU 21 Ca -0.04 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.10 2yu7 h LEU 21 Cb 1.12 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 2yu7 h LEU 21 CO 0.09 -0.27 -0.27 -0.07 0.09 0.00 0.00 178.44 178.00 2yu7 h LEU 22 N -0.72 -1.00 -0.68 1.67 3.38 -0.54 0.41 115.31 117.82 2yu7 h LEU 22 Ca -0.06 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2yu7 h LEU 22 Cb 0.44 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2yu7 h LEU 22 CO 0.10 -0.29 0.34 1.56 0.09 0.00 0.00 178.44 180.23 2yu7 h GLN 23 N -0.02 0.96 -0.70 1.13 4.20 -1.55 -2.83 115.11 116.31 2yu7 h GLN 23 Ca 0.38 -0.13 0.15 0.00 0.06 0.00 0.00 58.65 59.10 2yu7 h GLN 23 Cb 0.62 -0.18 -0.13 0.00 0.30 0.00 0.00 27.48 28.10 2yu7 h GLN 23 CO -0.89 0.75 -0.09 0.00 -0.67 0.00 0.00 178.83 177.92 2yu7 h ALA 24 N 1.16 0.57 -0.44 3.87 0.00 0.18 0.06 119.26 124.67 2yu7 h ALA 24 Ca 0.23 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2yu7 h ALA 24 Cb 0.09 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2yu7 h ALA 24 CO -0.03 -0.42 0.15 -0.22 0.00 0.00 0.00 179.25 178.73 2yu7 h LYS 25 N 0.04 0.67 -0.67 0.00 3.64 -1.21 -3.47 116.57 115.57 2yu7 h LYS 25 Ca 0.35 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2yu7 h LYS 25 Cb 0.57 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2yu7 h LYS 25 CO -0.67 0.64 0.00 0.41 -2.27 0.00 0.00 179.45 177.57 2yu7 n GLY 26 N -0.70 0.77 3.27 5.01 0.00 0.01 -5.05 105.19 108.50 2yu7 n GLY 26 Ca 0.00 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2yu7 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yu7 s GLU 27 N -4.66 3.30 0.49 1.61 0.41 -1.26 -5.11 118.70 113.49 2yu7 s GLU 27 Ca 0.00 -0.67 -0.21 0.00 -0.41 0.00 0.00 54.97 53.67 2yu7 s GLU 27 Cb 0.00 -2.90 -0.07 0.00 -1.78 0.00 0.00 34.13 29.39 2yu7 s GLU 27 CO 0.00 -0.18 1.15 -1.25 -0.49 0.00 0.00 175.26 174.49 2yu7 s PRO 28 N 1.38 3.60 -1.25 0.39 0.04 -1.26 -3.45 135.00 134.44 2yu7 s PRO 28 Ca 0.05 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 2yu7 s PRO 28 Cb -0.14 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.16 2yu7 s PRO 28 CO -0.05 -0.67 0.77 0.91 0.04 0.00 0.00 177.00 178.00 2yu7 n TRP 29 N -0.82 -2.08 -3.59 0.56 5.03 0.25 -4.73 117.44 112.06 2yu7 n TRP 29 Ca 0.09 0.66 -0.39 0.00 3.03 0.00 0.00 57.50 60.88 2yu7 n TRP 29 Cb 0.49 -4.23 -0.11 0.00 -1.03 0.00 0.00 31.31 26.43 2yu7 n TRP 29 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 2yu7 s THR 30 N -3.18 4.98 0.14 -0.99 2.01 -1.15 -1.81 115.64 115.63 2yu7 s THR 30 Ca 0.38 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.13 2yu7 s THR 30 Cb -0.17 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2yu7 s THR 30 CO 0.47 0.03 0.11 0.72 -0.69 0.00 0.00 174.62 175.27 2yu7 s PHE 31 N 1.67 3.15 -0.15 4.92 -0.71 -1.01 0.12 117.98 125.98 2yu7 s PHE 31 Ca 0.05 0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 55.87 2yu7 s PHE 31 Cb -0.17 -1.54 0.05 0.00 -1.21 0.00 0.00 43.02 40.15 2yu7 s PHE 31 CO 0.09 0.52 0.36 -0.48 -1.34 0.00 0.00 175.22 174.37 2yu7 s LEU 32 N -2.87 0.09 -0.14 -1.99 0.05 0.41 -0.98 118.68 113.26 2yu7 s LEU 32 Ca 0.30 0.78 -0.15 0.00 0.05 0.00 0.00 54.13 55.11 2yu7 s LEU 32 Cb -0.11 1.17 -0.05 0.00 -2.05 0.00 0.00 46.19 45.16 2yu7 s LEU 32 CO 0.23 -0.18 0.36 -0.69 -0.55 0.00 0.00 176.35 175.51 2yu7 s VAL 33 N 1.29 5.25 0.08 1.48 1.01 -1.26 -2.45 120.40 125.81 2yu7 s VAL 33 Ca -0.09 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 2yu7 s VAL 33 Cb -0.09 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2yu7 s VAL 33 CO -0.11 0.38 -0.01 0.00 0.00 0.00 0.00 175.10 175.37 2yu7 s ARG 34 N 0.41 0.75 0.42 2.72 1.70 -1.13 -2.56 118.95 121.25 2yu7 s ARG 34 Ca 0.20 -1.31 -0.22 0.00 -0.47 0.00 0.00 55.73 53.92 2yu7 s ARG 34 Cb -0.14 0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.30 2yu7 s ARG 34 CO 0.06 -0.15 0.99 -1.21 -1.08 0.00 0.00 175.30 173.92 2yu7 s GLU 35 N -3.95 4.19 0.98 3.89 2.02 -1.06 -1.24 118.70 123.53 2yu7 s GLU 35 Ca 0.13 1.30 -0.16 0.00 0.02 0.00 0.00 54.97 56.26 2yu7 s GLU 35 Cb 0.07 -2.35 0.25 0.00 0.10 0.00 0.00 34.13 32.20 2yu7 s GLU 35 CO -0.05 -0.09 0.59 -1.13 0.02 0.00 0.00 175.26 174.60 2yu7 n SER 36 N -0.36 -3.38 0.00 -0.19 3.41 0.58 -4.43 113.62 109.24 2yu7 n SER 36 Ca 0.06 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 2yu7 n SER 36 Cb 0.52 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2yu7 n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2yu7 n LEU 37 N 0.00 1.58 0.00 1.04 4.77 -1.26 -4.85 117.00 118.28 2yu7 n LEU 37 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2yu7 n LEU 37 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2yu7 n LEU 37 CO 0.26 0.24 0.34 -1.54 -1.33 0.00 0.00 177.39 175.36 2yu7 n SER 38 N -2.21 1.15 -4.83 -1.43 3.41 -1.26 -5.05 113.62 103.40 2yu7 n SER 38 Ca 0.00 -1.46 -0.34 0.00 -0.26 0.00 0.00 58.87 56.81 2yu7 n SER 38 Cb 0.31 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2yu7 n SER 38 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2yu7 s GLN 39 N -0.46 3.24 -0.17 4.33 -1.52 -1.26 -5.06 119.66 118.76 2yu7 s GLN 39 Ca 0.00 -0.37 -0.29 0.00 -1.95 0.00 0.00 55.36 52.75 2yu7 s GLN 39 Cb 0.00 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.77 2yu7 s GLN 39 CO 0.00 0.68 1.58 -1.25 -0.25 0.00 0.00 175.29 176.05 2yu7 s PRO 40 N -1.62 3.95 -1.35 2.91 0.04 -1.26 -3.70 135.00 133.97 2yu7 s PRO 40 Ca 0.22 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2yu7 s PRO 40 Cb -0.12 -3.99 0.03 0.00 0.04 0.00 0.00 34.50 30.46 2yu7 s PRO 40 CO 0.13 -1.10 0.06 0.41 0.04 0.00 0.00 177.00 176.54 2yu7 n GLY 41 N 4.38 -0.13 3.67 0.56 0.00 -1.26 -4.89 105.19 107.52 2yu7 n GLY 41 Ca 0.18 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 2yu7 n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yu7 s ASP 42 N -4.02 4.02 0.32 1.61 1.01 -1.24 -4.40 116.67 113.96 2yu7 s ASP 42 Ca 0.09 -1.38 0.03 0.00 0.71 0.00 0.00 52.55 52.00 2yu7 s ASP 42 Cb -0.05 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 2yu7 s ASP 42 CO 0.85 -0.55 0.14 -0.36 0.21 0.00 0.00 175.17 175.47 2yu7 s PHE 43 N -2.73 1.66 -0.05 4.23 0.40 -0.77 -0.31 117.98 120.42 2yu7 s PHE 43 Ca 0.30 -1.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.33 2yu7 s PHE 43 Cb 0.07 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.68 2yu7 s PHE 43 CO 0.16 -0.43 -0.05 0.08 0.70 0.00 0.00 175.22 175.67 2yu7 s VAL 44 N -3.52 0.59 -0.45 -0.44 1.01 -0.37 -0.96 120.40 116.26 2yu7 s VAL 44 Ca 0.34 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 2yu7 s VAL 44 Cb 0.05 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.85 2yu7 s VAL 44 CO 0.17 0.24 0.46 -0.22 0.00 0.00 0.00 175.10 175.75 2yu7 s LEU 45 N 0.95 5.04 -0.22 3.92 1.98 -0.78 -2.84 118.68 126.73 2yu7 s LEU 45 Ca -0.10 -0.85 -0.06 0.00 -2.89 0.00 0.00 54.13 50.22 2yu7 s LEU 45 Cb -0.14 -2.35 -0.03 0.00 0.66 0.00 0.00 46.19 44.33 2yu7 s LEU 45 CO 0.00 -0.65 0.04 -0.44 -1.89 0.00 0.00 176.35 173.40 2yu7 s SER 46 N 2.13 5.05 -0.03 3.68 0.01 -1.03 -0.44 113.70 123.08 2yu7 s SER 46 Ca 0.11 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.25 2yu7 s SER 46 Cb -0.19 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 2yu7 s SER 46 CO 0.12 0.04 -0.18 -0.69 0.41 0.00 0.00 173.24 172.94 2yu7 s VAL 47 N 1.18 1.43 -0.34 3.43 1.01 -0.86 -0.44 120.40 125.81 2yu7 s VAL 47 Ca 0.04 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 2yu7 s VAL 47 Cb -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2yu7 s VAL 47 CO 0.02 0.41 0.52 -0.22 0.00 0.00 0.00 175.10 175.83 2yu7 s LEU 48 N -0.24 4.30 0.51 3.92 2.96 0.12 -0.96 118.68 129.28 2yu7 s LEU 48 Ca 0.03 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 2yu7 s LEU 48 Cb -0.09 -2.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.92 2yu7 s LEU 48 CO 0.00 -0.46 1.00 -0.94 -1.32 0.00 0.00 176.35 174.63 2yu7 s SER 49 N 1.74 6.50 -0.01 3.68 1.04 -0.34 0.84 113.70 127.14 2yu7 s SER 49 Ca 0.19 1.69 0.02 0.00 0.48 0.00 0.00 55.95 58.33 2yu7 s SER 49 Cb -0.15 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.52 2yu7 s SER 49 CO 0.13 -0.67 0.82 -0.67 0.98 0.00 0.00 173.24 173.83 2yu7 n ASP 50 N -1.39 1.04 -4.27 7.02 2.03 -1.26 -4.34 116.55 115.38 2yu7 n ASP 50 Ca 0.07 -2.06 -0.34 0.00 0.52 0.00 0.00 54.79 52.99 2yu7 n ASP 50 Cb 0.54 -0.32 -0.15 0.00 -0.72 0.00 0.00 41.12 40.47 2yu7 n ASP 50 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2yu7 s GLN 51 N -1.50 3.25 0.59 -0.67 -1.52 -1.26 -5.07 119.66 113.49 2yu7 s GLN 51 Ca 0.06 -0.72 -0.17 0.00 -1.95 0.00 0.00 55.36 52.57 2yu7 s GLN 51 Cb 0.04 -2.71 -0.03 0.00 -0.22 0.00 0.00 33.01 30.08 2yu7 s GLN 51 CO 0.03 -0.03 1.12 -1.25 -0.25 0.00 0.00 175.29 174.90 2yu7 s PRO 52 N 0.96 3.11 0.22 2.91 0.04 -1.26 -2.36 135.00 138.62 2yu7 s PRO 52 Ca -0.02 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 2yu7 s PRO 52 Cb -0.15 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.62 2yu7 s PRO 52 CO -0.02 -1.03 1.63 0.87 0.04 0.00 0.00 177.00 178.50 2yu7 h LYS 53 N 0.68 0.73 0.00 4.56 1.57 -1.72 -3.42 116.57 118.97 2yu7 h LYS 53 Ca -0.49 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 2yu7 h LYS 53 Cb 1.26 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2yu7 h LYS 53 CO 0.56 0.90 -0.01 0.00 -0.57 0.00 0.00 179.45 180.32 2yu7 n ALA 54 N -2.50 2.86 -2.82 3.86 0.00 -1.26 -5.08 120.51 115.56 2yu7 n ALA 54 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2yu7 n ALA 54 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2yu7 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yu7 n GLY 55 N 3.40 1.60 3.56 0.00 0.00 -1.26 -5.04 105.19 107.45 2yu7 n GLY 55 Ca -0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2yu7 n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu7 s PRO 56 N 4.09 2.54 0.00 1.61 0.04 -1.26 -2.21 135.00 139.81 2yu7 s PRO 56 Ca 0.00 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2yu7 s PRO 56 Cb 0.00 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2yu7 s PRO 56 CO 0.00 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 173.98 2yu7 n GLY 57 N 6.71 -0.49 3.73 0.56 0.00 -1.26 -5.15 105.19 109.29 2yu7 n GLY 57 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 2yu7 n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu7 s SER 58 N -0.02 5.15 0.67 1.61 1.04 -0.94 -5.10 113.70 116.11 2yu7 s SER 58 Ca 0.00 -0.26 -0.15 0.00 0.48 0.00 0.00 55.95 56.02 2yu7 s SER 58 Cb 0.00 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.89 2yu7 s SER 58 CO 0.00 0.08 1.11 -2.16 0.98 0.00 0.00 173.24 173.25 2yu7 s PRO 59 N -3.02 2.76 0.13 4.02 0.04 -1.26 -4.65 135.00 133.03 2yu7 s PRO 59 Ca 0.29 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 2yu7 s PRO 59 Cb -0.10 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2yu7 s PRO 59 CO 0.21 -1.28 1.16 -0.51 0.04 0.00 0.00 177.00 176.62 2yu7 s LEU 60 N -4.92 4.43 0.37 -3.56 1.02 -1.26 -2.28 118.68 112.48 2yu7 s LEU 60 Ca 0.67 2.09 -0.28 0.00 0.02 0.00 0.00 54.13 56.63 2yu7 s LEU 60 Cb -0.20 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.31 2yu7 s LEU 60 CO 0.42 -0.36 1.39 -0.60 0.02 0.00 0.00 176.35 177.23 2yu7 s ARG 61 N 0.22 4.14 0.23 1.70 6.06 -0.99 -4.75 118.95 125.55 2yu7 s ARG 61 Ca 0.54 2.37 0.07 0.00 -2.50 0.00 0.00 55.73 56.21 2yu7 s ARG 61 Cb -0.30 -2.95 -0.04 0.00 0.06 0.00 0.00 34.95 31.72 2yu7 s ARG 61 CO 0.33 -0.42 0.13 0.08 -2.50 0.00 0.00 175.30 172.92 2yu7 s VAL 62 N -1.16 4.22 -0.20 7.11 1.01 -1.26 -1.19 120.40 128.93 2yu7 s VAL 62 Ca 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2yu7 s VAL 62 Cb -0.43 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2yu7 s VAL 62 CO 0.57 -0.27 -0.07 -0.89 0.00 0.00 0.00 175.10 174.44 2yu7 s THR 63 N -2.03 1.41 -0.50 3.92 2.01 -0.14 -4.94 115.64 115.37 2yu7 s THR 63 Ca 0.32 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 2yu7 s THR 63 Cb -0.08 -1.59 0.08 0.00 0.01 0.00 0.00 72.50 70.91 2yu7 s THR 63 CO 0.23 0.06 0.51 -1.00 -0.69 0.00 0.00 174.62 173.73 2yu7 s HIS 64 N 1.48 3.15 -0.44 4.92 3.76 -1.25 -2.02 115.29 124.88 2yu7 s HIS 64 Ca -0.02 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 53.94 2yu7 s HIS 64 Cb -0.17 -3.43 0.07 0.00 1.11 0.00 0.00 32.58 30.16 2yu7 s HIS 64 CO -0.07 -0.94 0.32 0.42 -0.85 0.00 0.00 174.74 173.62 2yu7 s ILE 65 N 2.08 4.74 -0.28 0.60 1.01 0.42 -4.91 121.20 124.87 2yu7 s ILE 65 Ca 0.08 -1.21 -0.40 0.00 0.00 0.00 0.00 60.65 59.13 2yu7 s ILE 65 Cb -0.23 -3.85 -0.15 0.00 0.01 0.00 0.00 42.46 38.24 2yu7 s ILE 65 CO 0.08 -0.53 1.79 0.29 0.00 0.00 0.00 174.94 176.57 2yu7 n LYS 66 N 5.06 1.19 -3.58 2.79 5.02 -1.26 -1.86 118.16 125.52 2yu7 n LYS 66 Ca -0.11 0.43 -0.40 0.00 -2.02 0.00 0.00 58.31 56.21 2yu7 n LYS 66 Cb 0.43 -2.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.18 2yu7 n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yu7 s VAL 67 N 3.87 5.01 0.10 -0.18 1.01 -0.14 -4.58 120.40 125.49 2yu7 s VAL 67 Ca 0.99 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 2yu7 s VAL 67 Cb -1.04 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 2yu7 s VAL 67 CO 0.64 0.03 0.63 -0.04 0.00 0.00 0.00 175.10 176.36 2yu7 s MET 68 N 1.68 4.30 -0.20 2.72 -1.94 0.57 -1.84 119.30 124.58 2yu7 s MET 68 Ca 0.05 0.85 0.01 0.00 -1.71 0.00 0.00 55.69 54.90 2yu7 s MET 68 Cb -0.17 -3.25 0.04 0.00 2.01 0.00 0.00 34.83 33.46 2yu7 s MET 68 CO 0.09 0.62 -0.14 0.00 -0.01 0.00 0.00 175.02 175.58 2yu7 s GLU 70 N 1.31 3.58 0.00 0.00 0.41 -0.89 -4.87 118.70 118.24 2yu7 s GLU 70 Ca -0.00 -2.44 0.00 0.00 -0.41 0.00 0.00 54.97 52.11 2yu7 s GLU 70 Cb -0.16 -4.42 0.00 0.00 -1.78 0.00 0.00 34.13 27.77 2yu7 s GLU 70 CO -0.09 -1.29 0.00 0.41 -0.49 0.00 0.00 175.26 173.80 2yu7 n GLY 71 N 4.01 0.99 0.15 -1.39 0.00 -1.26 -1.88 105.19 105.80 2yu7 n GLY 71 Ca 0.13 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.51 2yu7 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu7 n GLY 72 N 0.00 0.21 3.60 -0.02 0.00 -1.26 -5.09 105.19 102.63 2yu7 n GLY 72 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2yu7 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu7 n ARG 73 N -0.29 0.78 -3.88 1.61 1.74 -0.79 -4.46 116.66 111.37 2yu7 n ARG 73 Ca 0.02 -3.64 -0.11 0.00 -0.77 0.00 0.00 57.85 53.36 2yu7 n ARG 73 Cb 0.53 0.93 -0.10 0.00 -1.02 0.00 0.00 32.46 32.80 2yu7 n ARG 73 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2yu7 s TYR 74 N -2.80 0.07 0.26 -1.55 2.02 -0.84 -2.10 117.35 112.40 2yu7 s TYR 74 Ca 0.02 -0.20 -0.20 0.00 -0.37 0.00 0.00 57.07 56.32 2yu7 s TYR 74 Cb -0.00 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.52 2yu7 s TYR 74 CO 0.01 -0.30 0.67 -0.08 -1.57 0.00 0.00 175.55 174.28 2yu7 s THR 75 N -1.57 0.00 -0.22 -0.71 -1.32 0.69 -0.23 115.64 112.27 2yu7 s THR 75 Ca -0.13 -0.91 -0.04 0.00 -1.21 0.00 0.00 61.69 59.40 2yu7 s THR 75 Cb -0.07 -1.88 0.12 0.00 -1.51 0.00 0.00 72.50 69.16 2yu7 s THR 75 CO 0.01 -0.01 0.37 0.68 -2.21 0.00 0.00 174.62 173.46 2yu7 s VAL 76 N -3.91 -0.59 0.00 5.08 -7.23 -1.26 -0.32 120.40 112.17 2yu7 s VAL 76 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2yu7 s VAL 76 Cb -0.05 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.14 2yu7 s VAL 76 CO 0.04 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2yu7 n GLY 77 N 5.37 1.14 2.31 2.32 0.00 -1.26 -4.86 105.19 110.21 2yu7 n GLY 77 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2yu7 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu7 n GLY 78 N 0.00 1.55 0.11 -0.02 0.00 -1.26 -5.03 105.19 100.54 2yu7 n GLY 78 Ca 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.91 2yu7 n GLY 78 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2yu7 h LEU 79 N 0.00 0.00 -7.34 0.99 8.10 -1.99 -3.46 115.31 111.61 2yu7 h LEU 79 Ca -0.17 0.00 -0.43 0.00 0.11 0.00 0.00 57.88 57.39 2yu7 h LEU 79 Cb 0.73 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.87 2yu7 h LEU 79 CO 0.22 0.50 1.68 -0.62 -4.11 0.00 0.00 178.44 176.11 2yu7 n GLU 80 N -2.97 0.00 -3.27 0.17 1.02 -1.26 -4.82 120.64 109.51 2yu7 n GLU 80 Ca -0.05 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.63 2yu7 n GLU 80 Cb 0.78 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.89 2yu7 n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2yu7 s THR 81 N 6.22 5.10 0.65 2.62 -4.23 -1.26 -4.23 115.64 120.52 2yu7 s THR 81 Ca 1.24 -1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 2yu7 s THR 81 Cb -1.06 -4.34 -0.00 0.00 1.34 0.00 0.00 72.50 68.43 2yu7 s THR 81 CO 0.47 -0.88 1.12 -0.36 -0.54 0.00 0.00 174.62 174.42 2yu7 s PHE 82 N 1.92 2.59 0.45 3.99 0.40 0.68 -4.69 117.98 123.32 2yu7 s PHE 82 Ca 0.06 1.55 0.12 0.00 -0.60 0.00 0.00 56.93 58.06 2yu7 s PHE 82 Cb -0.27 -3.20 1.03 0.00 0.51 0.00 0.00 43.02 41.09 2yu7 s PHE 82 CO 0.05 -1.73 2.06 -0.44 0.70 0.00 0.00 175.22 175.86 2yu7 h ASP 83 N 0.14 0.30 -5.02 1.36 3.32 -1.88 -2.25 116.42 112.39 2yu7 h ASP 83 Ca -0.47 -0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.70 2yu7 h ASP 83 Cb 1.25 -0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 2yu7 h ASP 83 CO 0.54 0.21 0.44 -0.44 -1.72 0.00 0.00 179.24 178.27 2yu7 s SER 84 N -6.67 -0.29 0.52 6.45 0.01 -1.26 -4.42 113.70 108.03 2yu7 s SER 84 Ca -0.07 -0.23 0.20 0.00 1.31 0.00 0.00 55.95 57.16 2yu7 s SER 84 Cb 0.18 0.48 1.31 0.00 0.21 0.00 0.00 66.02 68.19 2yu7 s SER 84 CO 0.72 -0.84 2.06 -0.07 0.41 0.00 0.00 173.24 175.51 2yu7 h LEU 85 N 2.00 0.04 -1.29 2.44 3.38 -1.92 -0.63 115.31 119.33 2yu7 h LEU 85 Ca -0.24 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2yu7 h LEU 85 Cb 1.24 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 2yu7 h LEU 85 CO 0.28 0.03 0.49 0.74 0.09 0.00 0.00 178.44 180.07 2yu7 h THR 86 N 0.05 1.14 0.06 0.22 2.02 -1.98 0.14 112.91 114.56 2yu7 h THR 86 Ca 0.16 -0.33 -0.18 0.00 0.77 0.00 0.00 66.41 66.83 2yu7 h THR 86 Cb 0.56 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2yu7 h THR 86 CO -0.01 0.17 -0.92 -0.78 0.37 0.00 0.00 175.52 174.36 2yu7 h ASP 87 N 0.95 0.19 -0.88 4.18 3.58 -1.57 -2.60 116.42 120.27 2yu7 h ASP 87 Ca 0.29 -0.82 0.08 0.00 0.42 0.00 0.00 57.03 57.00 2yu7 h ASP 87 Cb -0.01 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 40.91 2yu7 h ASP 87 CO -0.08 1.39 0.54 0.25 -2.88 0.00 0.00 179.24 178.47 2yu7 h LEU 88 N -0.68 0.83 0.02 2.28 6.46 -1.15 -0.14 115.31 122.92 2yu7 h LEU 88 Ca -0.21 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2yu7 h LEU 88 Cb 1.42 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2yu7 h LEU 88 CO -0.02 0.51 -0.01 0.58 -0.62 0.00 0.00 178.44 178.88 2yu7 h VAL 89 N 0.95 1.46 -0.48 1.05 2.07 -0.86 -3.20 116.25 117.24 2yu7 h VAL 89 Ca 0.40 -1.58 0.10 0.00 0.82 0.00 0.00 66.70 66.44 2yu7 h VAL 89 Cb 0.26 2.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.45 2yu7 h VAL 89 CO -0.20 0.40 -0.08 -0.33 0.02 0.00 0.00 177.57 177.38 2yu7 h GLU 90 N -0.72 0.03 -0.99 1.57 4.39 -1.21 0.19 114.58 117.83 2yu7 h GLU 90 Ca -0.00 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.88 2yu7 h GLU 90 Cb 0.67 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.22 2yu7 h GLU 90 CO 0.00 0.02 0.61 1.25 -1.16 0.00 0.00 179.01 179.74 2yu7 h HIS 91 N 0.03 1.02 0.00 4.33 2.76 -1.12 0.13 115.15 122.31 2yu7 h HIS 91 Ca 0.24 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.26 2yu7 h HIS 91 Cb 0.36 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2yu7 h HIS 91 CO -0.38 0.26 -0.83 0.74 -1.30 0.00 0.00 177.93 176.42 2yu7 h PHE 92 N 0.76 0.00 0.00 5.26 0.04 -0.96 -0.64 116.94 121.39 2yu7 h PHE 92 Ca 0.55 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.32 2yu7 h PHE 92 Cb 0.87 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 2yu7 h PHE 92 CO -0.00 0.83 -0.02 0.87 -0.60 0.00 0.00 178.31 179.39 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 0.21 1.75 116.57 121.61 2yu7 h LYS 93 Ca -0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 2yu7 h LYS 93 Cb 1.52 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.77 2yu7 h LYS 93 CO 0.11 0.02 -2.26 0.36 -0.57 0.00 0.00 179.45 177.11 2yu7 n LYS 94 N -4.05 0.54 -0.06 3.15 2.85 -1.00 -4.63 118.16 114.96 2yu7 n LYS 94 Ca -0.03 0.15 -0.20 0.00 -1.05 0.00 0.00 58.31 57.17 2yu7 n LYS 94 Cb 0.11 -1.42 -0.13 0.00 -0.65 0.00 0.00 35.03 32.94 2yu7 n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2yu7 h THR 95 N -0.18 1.08 0.00 0.58 1.35 -1.03 -3.51 112.91 111.20 2yu7 h THR 95 Ca -0.51 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2yu7 h THR 95 Cb 1.71 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.70 2yu7 h THR 95 CO -0.14 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2yu7 n GLY 96 N 1.58 1.12 3.43 5.82 0.00 0.59 -5.00 105.19 112.73 2yu7 n GLY 96 Ca -0.26 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.39 2yu7 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yu7 s ILE 97 N -1.69 2.76 -0.23 -0.61 1.01 -0.46 -4.72 121.20 117.25 2yu7 s ILE 97 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 2yu7 s ILE 97 Cb 0.00 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2yu7 s ILE 97 CO 0.00 0.57 -0.02 -0.70 0.00 0.00 0.00 174.94 174.79 2yu7 s GLU 98 N -0.74 3.38 0.25 2.79 2.12 -1.26 -0.95 118.70 124.29 2yu7 s GLU 98 Ca 0.11 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.63 2yu7 s GLU 98 Cb -0.10 -3.07 -0.08 0.00 0.26 0.00 0.00 34.13 31.13 2yu7 s GLU 98 CO 0.00 -0.22 0.73 -1.21 -0.54 0.00 0.00 175.26 174.03 2yu7 s GLU 99 N 1.50 4.20 0.15 4.30 2.02 0.57 -4.93 118.70 126.50 2yu7 s GLU 99 Ca 0.06 0.83 -0.18 0.00 0.02 0.00 0.00 54.97 55.69 2yu7 s GLU 99 Cb -0.15 -2.78 0.08 0.00 0.10 0.00 0.00 34.13 31.38 2yu7 s GLU 99 CO -0.02 0.34 1.18 0.00 0.02 0.00 0.00 175.26 176.78 2yu7 n ALA 100 N 0.48 -0.27 -0.32 5.21 0.00 -1.26 0.22 120.51 124.55 2yu7 n ALA 100 Ca -0.01 0.71 0.07 0.00 0.00 0.00 0.00 53.44 54.21 2yu7 n ALA 100 Cb 0.51 -0.23 0.27 0.00 0.00 0.00 0.00 19.45 20.00 2yu7 n ALA 100 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2yu7 h SER 101 N 0.00 0.87 0.00 0.00 4.64 -2.05 -3.45 113.55 113.55 2yu7 h SER 101 Ca 0.20 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2yu7 h SER 101 Cb 0.39 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2yu7 h SER 101 CO -0.74 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 2yu7 n GLY 102 N -1.38 1.16 3.52 -0.77 0.00 0.59 -5.12 105.19 103.19 2yu7 n GLY 102 Ca 0.17 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 2yu7 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yu7 n ALA 103 N 0.00 -1.68 -3.50 4.61 0.00 -1.25 -4.38 120.51 114.31 2yu7 n ALA 103 Ca 0.00 0.46 -0.39 0.00 0.00 0.00 0.00 53.44 53.51 2yu7 n ALA 103 Cb 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 17.48 2yu7 n ALA 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2yu7 s PHE 104 N -0.57 3.42 -0.29 0.00 0.08 -1.26 -0.32 117.98 119.05 2yu7 s PHE 104 Ca 0.70 -1.86 -0.25 0.00 0.12 0.00 0.00 56.93 55.64 2yu7 s PHE 104 Cb -0.90 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.47 2yu7 s PHE 104 CO 0.55 -0.91 0.88 0.08 -0.10 0.00 0.00 175.22 175.72 2yu7 s VAL 105 N 1.33 4.74 -0.12 -0.44 1.01 -0.12 -4.89 120.40 121.90 2yu7 s VAL 105 Ca 0.04 1.47 -0.03 0.00 0.00 0.00 0.00 61.98 63.46 2yu7 s VAL 105 Cb -0.23 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2yu7 s VAL 105 CO -0.00 -0.25 0.00 -0.31 0.00 0.00 0.00 175.10 174.54 2yu7 s TYR 106 N 3.09 3.15 -0.32 5.22 2.02 -1.26 -1.36 117.35 127.89 2yu7 s TYR 106 Ca 0.37 0.05 -0.02 0.00 -0.37 0.00 0.00 57.07 57.09 2yu7 s TYR 106 Cb -0.14 -1.89 0.06 0.00 -0.40 0.00 0.00 41.96 39.59 2yu7 s TYR 106 CO 0.11 0.28 0.04 -0.51 -1.57 0.00 0.00 175.55 173.90 2yu7 s LEU 107 N -0.32 4.16 0.00 -1.29 1.02 -1.26 -4.38 118.68 116.60 2yu7 s LEU 107 Ca 0.07 -1.43 0.00 0.00 0.02 0.00 0.00 54.13 52.79 2yu7 s LEU 107 Cb -0.12 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.36 2yu7 s LEU 107 CO 0.02 -0.31 0.00 0.54 0.02 0.00 0.00 176.35 176.62 2yu7 n ARG 108 N 4.61 3.03 -3.62 1.70 1.74 -0.75 -4.32 116.66 119.05 2yu7 n ARG 108 Ca -0.11 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.57 2yu7 n ARG 108 Cb 0.43 -0.94 -0.10 0.00 -1.02 0.00 0.00 32.46 30.83 2yu7 n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2yu7 s GLN 109 N -1.86 2.57 -1.09 5.56 -0.21 -0.99 -5.02 119.66 118.62 2yu7 s GLN 109 Ca 0.00 -1.48 -0.23 0.00 0.02 0.00 0.00 55.36 53.66 2yu7 s GLN 109 Cb 0.00 -3.76 -0.07 0.00 1.00 0.00 0.00 33.01 30.17 2yu7 s GLN 109 CO 0.00 -0.96 1.94 -1.25 -2.12 0.00 0.00 175.29 172.90 2yu7 s PRO 110 N 1.40 2.51 -0.47 2.91 0.04 -1.26 -2.40 135.00 137.73 2yu7 s PRO 110 Ca 0.03 -0.87 -0.43 0.00 0.04 0.00 0.00 61.00 59.78 2yu7 s PRO 110 Cb -0.23 -5.18 -0.18 0.00 0.04 0.00 0.00 34.50 28.95 2yu7 s PRO 110 CO 0.02 -3.78 2.12 0.98 0.04 0.00 0.00 177.00 176.38 2yu7 n TYR 111 N 14.26 1.27 -2.63 0.56 9.36 -0.15 -4.37 117.16 135.46 2yu7 n TYR 111 Ca 0.43 0.69 -0.30 0.00 3.32 0.00 0.00 57.90 62.04 2yu7 n TYR 111 Cb 0.47 -2.33 -0.02 0.00 -0.63 0.00 0.00 39.34 36.82 2yu7 n TYR 111 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 2yu7 s TYR 112 N 6.09 3.50 0.12 2.98 1.51 -1.26 -4.24 117.35 126.04 2yu7 s TYR 112 Ca 1.17 1.11 -0.32 0.00 -1.01 0.00 0.00 57.07 58.02 2yu7 s TYR 112 Cb -1.38 -2.51 -0.11 0.00 -0.11 0.00 0.00 41.96 37.85 2yu7 s TYR 112 CO 0.64 -0.24 1.57 1.03 -1.11 0.00 0.00 175.55 177.43 2yu7 h SER 113 N 0.86 -1.47 -3.60 2.29 0.87 -1.76 -3.49 113.55 107.26 2yu7 h SER 113 Ca -0.47 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2yu7 h SER 113 Cb 1.19 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2yu7 h SER 113 CO 0.63 -0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.04 2yu7 n GLY 114 N -1.46 -1.07 3.55 5.77 0.00 -1.26 -4.83 105.19 105.90 2yu7 n GLY 114 Ca -0.07 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2yu7 n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu7 s PRO 115 N -4.69 2.60 -0.57 1.61 0.04 -1.26 -4.91 135.00 127.82 2yu7 s PRO 115 Ca 0.00 0.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.07 2yu7 s PRO 115 Cb 0.00 -4.63 -0.06 0.00 0.04 0.00 0.00 34.50 29.85 2yu7 s PRO 115 CO 0.00 -2.96 2.21 -1.12 0.04 0.00 0.00 177.00 175.17 2yu7 s SER 116 N 8.07 4.69 0.14 6.66 0.01 -1.26 -4.93 113.70 127.08 2yu7 s SER 116 Ca 0.68 0.69 0.08 0.00 1.31 0.00 0.00 55.95 58.70 2yu7 s SER 116 Cb -0.10 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 2yu7 s SER 116 CO 0.13 -2.79 -0.17 -0.44 0.41 0.00 0.00 173.24 170.38 2yu7 s SER 117 N 10.60 2.42 0.00 2.44 0.01 -1.26 -5.33 113.70 122.58 2yu7 s SER 117 Ca 0.86 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2yu7 s SER 117 Cb -0.15 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2yu7 s SER 117 CO 0.22 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.42