#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu7 s SER 2 N 0.00 6.07 0.05 1.61 0.01 -1.26 -5.06 113.70 115.12 2yu7 s SER 2 Ca 0.00 -1.41 -0.20 0.00 1.31 0.00 0.00 55.95 55.65 2yu7 s SER 2 Cb 0.00 -2.16 -0.06 0.00 0.21 0.00 0.00 66.02 64.01 2yu7 s SER 2 CO 0.00 -0.65 0.59 -0.55 0.41 0.00 0.00 173.24 173.04 2yu7 s SER 3 N 2.63 7.05 0.00 2.44 0.15 -1.26 -4.97 113.70 119.75 2yu7 s SER 3 Ca 0.04 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.94 2yu7 s SER 3 Cb -0.25 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2yu7 s SER 3 CO 0.06 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2yu7 n GLY 4 N 2.00 0.11 3.80 9.45 0.00 -1.26 -5.13 105.19 114.16 2yu7 n GLY 4 Ca -0.09 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 1.12 5.03 -0.28 1.61 0.15 -1.26 -5.08 113.70 114.99 2yu7 s SER 5 Ca 0.00 1.60 -0.22 0.00 0.70 0.00 0.00 55.95 58.04 2yu7 s SER 5 Cb 0.00 -2.42 0.11 0.00 -1.71 0.00 0.00 66.02 62.00 2yu7 s SER 5 CO 0.00 -1.67 0.90 -0.55 1.20 0.00 0.00 173.24 173.12 2yu7 s SER 6 N -3.73 -0.60 0.00 5.45 0.15 -1.26 -5.17 113.70 108.54 2yu7 s SER 6 Ca 0.59 1.08 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2yu7 s SER 6 Cb -0.15 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2yu7 s SER 6 CO 0.55 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2yu7 n GLY 7 N 2.99 3.89 0.88 9.45 0.00 -1.26 -4.91 105.19 116.22 2yu7 n GLY 7 Ca -0.15 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.45 2yu7 n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2yu7 n TRP 8 N -1.85 0.70 -2.94 1.61 4.27 -1.26 -4.56 117.44 113.42 2yu7 n TRP 8 Ca 0.00 -0.30 -0.41 0.00 -3.89 0.00 0.00 57.50 52.90 2yu7 n TRP 8 Cb 0.00 -0.10 -0.04 0.00 -1.36 0.00 0.00 31.31 29.80 2yu7 n TRP 8 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2yu7 s TYR 9 N -1.62 3.40 -0.71 -2.67 5.04 -1.26 -2.75 117.35 116.77 2yu7 s TYR 9 Ca 0.27 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 56.01 2yu7 s TYR 9 Cb 0.16 -2.97 0.19 0.00 0.35 0.00 0.00 41.96 39.68 2yu7 s TYR 9 CO 0.15 -0.24 0.57 -1.01 -1.34 0.00 0.00 175.55 173.68 2yu7 s HIS 10 N 2.16 3.55 0.00 4.97 3.76 0.16 -4.86 115.29 125.03 2yu7 s HIS 10 Ca 0.36 -2.49 0.00 0.00 -0.15 0.00 0.00 55.06 52.78 2yu7 s HIS 10 Cb -0.16 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.11 2yu7 s HIS 10 CO 0.11 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.53 2yu7 n GLY 11 N 3.58 0.00 3.67 -2.22 0.00 -1.26 -3.37 105.19 105.58 2yu7 n GLY 11 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 3.38 -0.30 1.61 2.46 -1.26 -2.60 115.29 118.58 2yu7 s HIS 12 Ca 0.00 0.66 -0.16 0.00 0.47 0.00 0.00 55.06 56.03 2yu7 s HIS 12 Cb 0.00 -2.57 0.17 0.00 -0.13 0.00 0.00 32.58 30.05 2yu7 s HIS 12 CO 0.00 -0.03 1.04 1.41 -2.47 0.00 0.00 174.74 174.69 2yu7 s MET 13 N 1.38 0.26 0.28 2.88 0.00 -1.26 -4.98 119.30 117.86 2yu7 s MET 13 Ca 0.21 0.60 -0.06 0.00 0.00 0.00 0.00 55.69 56.44 2yu7 s MET 13 Cb -0.15 0.31 -0.05 0.00 0.00 0.00 0.00 34.83 34.93 2yu7 s MET 13 CO 0.09 -0.08 0.55 -1.54 0.00 0.00 0.00 175.02 174.04 2yu7 s SER 14 N 2.14 6.47 0.53 1.11 1.04 -1.26 -4.54 113.70 119.19 2yu7 s SER 14 Ca -0.03 0.74 0.32 0.00 0.48 0.00 0.00 55.95 57.46 2yu7 s SER 14 Cb -0.05 -2.15 1.48 0.00 0.10 0.00 0.00 66.02 65.39 2yu7 s SER 14 CO -0.16 -0.18 1.87 1.23 0.98 0.00 0.00 173.24 176.97 2yu7 h GLY 15 N 1.79 0.06 1.95 7.32 0.00 -2.00 0.32 103.07 112.51 2yu7 h GLY 15 Ca -0.47 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2yu7 h GLY 15 CO 0.67 -0.00 -0.50 -1.33 0.00 0.00 0.00 176.54 175.37 2yu7 h GLY 16 N 0.02 0.06 0.24 4.60 0.00 -2.01 -2.95 103.07 103.03 2yu7 h GLY 16 Ca 0.46 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 2yu7 h GLY 16 CO -0.02 0.06 -0.33 -1.61 0.00 0.00 0.00 176.54 174.65 2yu7 h GLN 17 N 0.05 0.10 -0.20 4.80 5.75 -0.76 -3.29 115.11 121.56 2yu7 h GLN 17 Ca -0.00 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.37 2yu7 h GLN 17 Cb 0.90 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.44 2yu7 h GLN 17 CO 0.07 1.08 -0.40 0.00 -2.65 0.00 0.00 178.83 176.94 2yu7 h ALA 18 N 0.01 -0.49 -0.93 3.38 0.00 -1.39 0.35 119.26 120.19 2yu7 h ALA 18 Ca -0.06 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.12 2yu7 h ALA 18 Cb 1.23 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 2yu7 h ALA 18 CO 0.05 -0.87 0.65 0.93 0.00 0.00 0.00 179.25 180.00 2yu7 h GLU 19 N -0.43 0.14 0.12 0.00 5.08 -1.67 0.36 114.58 118.18 2yu7 h GLU 19 Ca 0.10 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 2yu7 h GLU 19 Cb 0.60 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.84 2yu7 h GLU 19 CO -0.43 0.09 -0.82 1.15 -1.00 0.00 0.00 179.01 178.00 2yu7 h THR 20 N 0.14 1.48 0.58 1.13 2.02 -0.82 -3.19 112.91 114.25 2yu7 h THR 20 Ca 0.47 -2.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.16 2yu7 h THR 20 Cb 1.60 3.06 0.01 0.00 -1.74 0.00 0.00 68.15 71.07 2yu7 h THR 20 CO -0.08 0.70 -0.28 -0.07 0.37 0.00 0.00 175.52 176.16 2yu7 h LEU 21 N -0.27 -0.66 -0.93 2.58 3.38 0.13 -2.10 115.31 117.45 2yu7 h LEU 21 Ca -0.14 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.01 2yu7 h LEU 21 Cb 1.61 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 42.38 2yu7 h LEU 21 CO 0.16 -0.30 -0.35 -0.07 0.09 0.00 0.00 178.44 177.97 2yu7 h LEU 22 N -1.12 -1.27 -1.34 1.67 3.38 -0.56 0.93 115.31 117.00 2yu7 h LEU 22 Ca -0.08 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2yu7 h LEU 22 Cb 0.60 0.69 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 2yu7 h LEU 22 CO 0.13 -0.30 0.39 1.56 0.09 0.00 0.00 178.44 180.31 2yu7 h GLN 23 N -0.02 0.83 -0.65 1.13 4.20 -1.61 -2.70 115.11 116.30 2yu7 h GLN 23 Ca 0.35 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.13 2yu7 h GLN 23 Cb 0.61 -0.18 -0.12 0.00 0.30 0.00 0.00 27.48 28.09 2yu7 h GLN 23 CO -0.94 0.58 -0.15 0.00 -0.67 0.00 0.00 178.83 177.64 2yu7 h ALA 24 N 1.57 0.45 -0.42 3.87 0.00 0.16 -0.30 119.26 124.60 2yu7 h ALA 24 Ca 0.23 0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 2yu7 h ALA 24 Cb -0.05 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2yu7 h ALA 24 CO -0.04 -0.42 -0.21 -0.22 0.00 0.00 0.00 179.25 178.36 2yu7 h LYS 25 N 0.01 0.87 0.00 0.00 3.64 -1.28 -3.42 116.57 116.40 2yu7 h LYS 25 Ca 0.32 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2yu7 h LYS 25 Cb 0.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2yu7 h LYS 25 CO -0.66 1.03 0.00 0.41 -2.27 0.00 0.00 179.45 177.95 2yu7 n GLY 26 N -0.06 0.98 3.66 5.01 0.00 -0.12 -4.95 105.19 109.70 2yu7 n GLY 26 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.00 4.20 0.53 1.61 8.01 -1.26 -5.01 118.70 126.78 2yu7 s GLU 27 Ca 0.00 1.57 -0.20 0.00 0.01 0.00 0.00 54.97 56.35 2yu7 s GLU 27 Cb 0.00 -3.76 -0.06 0.00 -4.31 0.00 0.00 34.13 26.00 2yu7 s GLU 27 CO 0.00 -0.74 1.13 -1.25 0.01 0.00 0.00 175.26 174.41 2yu7 s PRO 28 N 3.53 3.40 -1.17 0.39 0.04 -1.26 -3.38 135.00 136.55 2yu7 s PRO 28 Ca 0.53 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2yu7 s PRO 28 Cb -0.20 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2yu7 s PRO 28 CO 0.14 -0.81 0.00 0.91 0.04 0.00 0.00 177.00 177.28 2yu7 n TRP 29 N -1.21 -0.63 -3.31 0.56 5.03 0.11 -4.75 117.44 113.24 2yu7 n TRP 29 Ca 0.11 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.23 2yu7 n TRP 29 Cb 0.51 -2.93 -0.09 0.00 -1.03 0.00 0.00 31.31 27.77 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 -2.68 5.08 0.23 -0.99 2.01 -1.18 -2.05 115.64 116.07 2yu7 s THR 30 Ca 0.00 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2yu7 s THR 30 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2yu7 s THR 30 CO 0.00 -0.24 0.20 0.72 -0.69 0.00 0.00 174.62 174.61 2yu7 s PHE 31 N 2.21 3.15 -0.27 4.92 -0.71 -1.02 -0.15 117.98 126.12 2yu7 s PHE 31 Ca 0.15 -0.08 -0.20 0.00 -1.04 0.00 0.00 56.93 55.75 2yu7 s PHE 31 Cb -0.16 -1.44 0.07 0.00 -1.21 0.00 0.00 43.02 40.28 2yu7 s PHE 31 CO 0.13 0.51 0.69 -0.48 -1.34 0.00 0.00 175.22 174.73 2yu7 s LEU 32 N -3.71 -0.79 0.01 -1.99 0.05 0.19 -1.43 118.68 111.00 2yu7 s LEU 32 Ca 0.33 1.45 -0.07 0.00 0.05 0.00 0.00 54.13 55.89 2yu7 s LEU 32 Cb -0.08 2.37 -0.05 0.00 -2.05 0.00 0.00 46.19 46.38 2yu7 s LEU 32 CO 0.25 -0.24 0.28 -0.69 -0.55 0.00 0.00 176.35 175.40 2yu7 s VAL 33 N 1.00 5.28 0.18 1.48 1.01 -1.11 -1.22 120.40 127.02 2yu7 s VAL 33 Ca -0.05 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2yu7 s VAL 33 Cb -0.05 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2yu7 s VAL 33 CO -0.09 0.37 0.20 -2.11 0.00 0.00 0.00 175.10 173.47 2yu7 n ARG 34 N 1.12 0.29 -5.20 2.72 1.85 -0.96 0.41 116.66 116.90 2yu7 n ARG 34 Ca -0.11 -1.63 -0.31 0.00 -1.00 0.00 0.00 57.85 54.80 2yu7 n ARG 34 Cb 0.53 1.44 -0.15 0.00 -1.05 0.00 0.00 32.46 33.23 2yu7 n ARG 34 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2yu7 s GLU 35 N -2.57 2.17 0.50 2.89 2.02 -1.07 -3.26 118.70 119.37 2yu7 s GLU 35 Ca 0.18 -0.90 -0.21 0.00 0.02 0.00 0.00 54.97 54.07 2yu7 s GLU 35 Cb 0.00 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 2yu7 s GLU 35 CO 0.13 0.57 1.11 -1.12 0.02 0.00 0.00 175.26 175.97 2yu7 s SER 36 N -0.67 6.05 -0.02 -0.19 0.01 -0.97 -4.37 113.70 113.53 2yu7 s SER 36 Ca 0.10 2.15 0.09 0.00 1.31 0.00 0.00 55.95 59.61 2yu7 s SER 36 Cb -0.10 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.40 2yu7 s SER 36 CO -0.00 -0.99 0.19 0.00 0.41 0.00 0.00 173.24 172.84 2yu7 n LEU 37 N -0.91 0.00 -0.06 2.44 -0.00 -1.26 -4.64 117.00 112.57 2yu7 n LEU 37 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.06 2yu7 n LEU 37 Cb 0.50 0.02 -0.12 0.00 -0.00 0.00 0.00 43.42 43.83 2yu7 n LEU 37 CO 0.43 0.02 -0.92 -0.24 -0.00 0.00 0.00 177.39 176.69 2yu7 n SER 38 N -1.88 1.43 -4.38 1.45 2.88 -1.26 -4.88 113.62 106.97 2yu7 n SER 38 Ca -0.03 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.08 2yu7 n SER 38 Cb 0.31 1.03 -0.09 0.00 -0.75 0.00 0.00 64.21 64.70 2yu7 n SER 38 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2yu7 s GLN 39 N -2.50 2.89 -0.16 -1.46 -1.52 -1.26 -5.05 119.66 110.61 2yu7 s GLN 39 Ca -0.07 -1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 51.79 2yu7 s GLN 39 Cb 0.05 -3.98 -0.03 0.00 -0.22 0.00 0.00 33.01 28.83 2yu7 s GLN 39 CO 0.60 -0.91 1.57 -1.25 -0.25 0.00 0.00 175.29 175.05 2yu7 s PRO 40 N 1.60 4.00 0.00 2.91 0.04 -1.26 -2.85 135.00 139.44 2yu7 s PRO 40 Ca 0.04 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2yu7 s PRO 40 Cb -0.22 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2yu7 s PRO 40 CO 0.07 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2yu7 n GLY 41 N 4.31 0.79 3.08 0.56 0.00 -1.26 -5.08 105.19 107.59 2yu7 n GLY 41 Ca 0.17 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.77 0.33 0.27 1.61 1.01 -1.13 -4.26 116.67 111.73 2yu7 s ASP 42 Ca 0.00 -0.75 0.05 0.00 0.71 0.00 0.00 52.55 52.56 2yu7 s ASP 42 Cb 0.00 0.19 -0.06 0.00 1.01 0.00 0.00 42.92 44.07 2yu7 s ASP 42 CO 0.00 -0.52 -0.01 -0.36 0.21 0.00 0.00 175.17 174.49 2yu7 s PHE 43 N -3.03 1.78 0.05 4.23 0.40 -0.50 -2.29 117.98 118.62 2yu7 s PHE 43 Ca -0.01 -0.85 0.06 0.00 -0.60 0.00 0.00 56.93 55.52 2yu7 s PHE 43 Cb 0.01 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 2yu7 s PHE 43 CO -0.07 0.08 -0.16 0.08 0.70 0.00 0.00 175.22 175.85 2yu7 s VAL 44 N -3.25 1.30 -0.17 -0.44 1.01 -1.20 -0.05 120.40 117.59 2yu7 s VAL 44 Ca 0.30 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 2yu7 s VAL 44 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2yu7 s VAL 44 CO 0.11 0.02 -0.14 -0.22 0.00 0.00 0.00 175.10 174.87 2yu7 s LEU 45 N -1.29 2.47 -0.13 3.92 0.20 -0.51 -2.26 118.68 121.08 2yu7 s LEU 45 Ca 0.03 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.33 2yu7 s LEU 45 Cb -0.08 -1.57 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 2yu7 s LEU 45 CO 0.02 0.05 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.51 2yu7 s SER 46 N 1.05 4.61 -0.04 3.68 0.15 -0.36 -0.71 113.70 122.08 2yu7 s SER 46 Ca -0.01 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.48 2yu7 s SER 46 Cb -0.15 -1.62 0.03 0.00 -1.71 0.00 0.00 66.02 62.58 2yu7 s SER 46 CO -0.04 0.21 0.08 -0.69 1.20 0.00 0.00 173.24 174.01 2yu7 s VAL 47 N 0.10 -0.07 -0.30 4.45 1.01 -0.90 0.55 120.40 125.24 2yu7 s VAL 47 Ca -0.02 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 2yu7 s VAL 47 Cb -0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 2yu7 s VAL 47 CO 0.03 0.09 0.75 -0.22 0.00 0.00 0.00 175.10 175.76 2yu7 s LEU 48 N 1.24 4.09 0.60 3.92 2.96 0.79 -1.28 118.68 131.00 2yu7 s LEU 48 Ca -0.08 0.66 -0.11 0.00 -0.22 0.00 0.00 54.13 54.38 2yu7 s LEU 48 Cb -0.12 -3.02 -0.05 0.00 0.50 0.00 0.00 46.19 43.50 2yu7 s LEU 48 CO -0.04 -0.56 1.01 -0.94 -1.32 0.00 0.00 176.35 174.49 2yu7 s SER 49 N 1.58 6.29 0.00 3.68 1.04 0.38 0.05 113.70 126.72 2yu7 s SER 49 Ca 0.31 1.41 0.09 0.00 0.48 0.00 0.00 55.95 58.24 2yu7 s SER 49 Cb -0.14 -2.46 0.42 0.00 0.10 0.00 0.00 66.02 63.93 2yu7 s SER 49 CO 0.12 -0.81 1.29 -0.90 0.98 0.00 0.00 173.24 173.92 2yu7 n ASP 50 N -2.54 0.62 -4.46 7.02 5.75 -1.26 -4.24 116.55 117.44 2yu7 n ASP 50 Ca 0.06 -1.83 -0.38 0.00 -0.01 0.00 0.00 54.79 52.63 2yu7 n ASP 50 Cb 0.54 -0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 2yu7 n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2yu7 s GLN 51 N -1.87 3.46 0.51 0.11 -0.21 -1.26 -5.03 119.66 115.36 2yu7 s GLN 51 Ca 0.16 -0.64 -0.21 0.00 0.02 0.00 0.00 55.36 54.69 2yu7 s GLN 51 Cb 0.08 -3.54 -0.06 0.00 1.00 0.00 0.00 33.01 30.48 2yu7 s GLN 51 CO 0.12 -0.35 1.15 -1.25 -2.12 0.00 0.00 175.29 172.83 2yu7 s PRO 52 N 1.63 3.52 0.22 2.91 0.04 -1.26 -1.96 135.00 140.10 2yu7 s PRO 52 Ca 0.05 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 2yu7 s PRO 52 Cb -0.17 -2.17 0.28 0.00 0.04 0.00 0.00 34.50 32.48 2yu7 s PRO 52 CO 0.06 -0.73 1.80 0.87 0.04 0.00 0.00 177.00 179.05 2yu7 h LYS 53 N 1.55 0.66 0.00 4.56 1.57 -1.73 -3.41 116.57 119.76 2yu7 h LYS 53 Ca -0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2yu7 h LYS 53 Cb 1.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2yu7 h LYS 53 CO 0.58 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.90 2yu7 n ALA 54 N -2.37 2.65 -2.48 3.86 0.00 -1.26 -5.08 120.51 115.83 2yu7 n ALA 54 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2yu7 n ALA 54 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 3.66 3.85 3.56 0.00 0.00 -1.26 -5.03 105.19 109.96 2yu7 n GLY 55 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 3.80 2.57 0.00 1.61 0.04 -1.26 -2.50 135.00 139.27 2yu7 s PRO 56 Ca 0.00 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2yu7 s PRO 56 Cb 0.00 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.70 2yu7 s PRO 56 CO 0.00 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.28 2yu7 n GLY 57 N 6.47 1.34 3.82 0.56 0.00 -1.26 -5.13 105.19 110.99 2yu7 n GLY 57 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 6.35 0.28 1.61 1.04 -1.04 -5.02 113.70 116.89 2yu7 s SER 58 Ca 0.00 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.83 2yu7 s SER 58 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.50 2yu7 s SER 58 CO 0.00 -0.77 1.24 -2.16 0.98 0.00 0.00 173.24 172.53 2yu7 s PRO 59 N -3.91 4.45 0.41 4.02 0.04 -1.26 -4.56 135.00 134.19 2yu7 s PRO 59 Ca 0.62 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.44 2yu7 s PRO 59 Cb -0.12 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 2yu7 s PRO 59 CO 0.30 -0.08 1.41 1.28 0.04 0.00 0.00 177.00 179.95 2yu7 n LEU 60 N 1.37 4.65 -4.77 -3.56 4.32 -1.26 -2.53 117.00 115.22 2yu7 n LEU 60 Ca 0.01 1.16 -0.40 0.00 -0.02 0.00 0.00 56.01 56.76 2yu7 n LEU 60 Cb 0.43 -1.58 -0.03 0.00 -1.62 0.00 0.00 43.42 40.62 2yu7 n LEU 60 CO 0.57 -0.17 0.90 -0.60 -1.22 0.00 0.00 177.39 176.87 2yu7 s ARG 61 N -2.23 4.39 0.27 3.23 6.06 -0.83 -4.79 118.95 125.06 2yu7 s ARG 61 Ca 0.58 2.02 0.07 0.00 -2.50 0.00 0.00 55.73 55.90 2yu7 s ARG 61 Cb -0.48 -3.04 -0.03 0.00 0.06 0.00 0.00 34.95 31.46 2yu7 s ARG 61 CO 0.60 -0.09 0.24 0.08 -2.50 0.00 0.00 175.30 173.64 2yu7 s VAL 62 N -1.19 4.28 -0.07 7.11 1.01 -1.26 -0.47 120.40 129.80 2yu7 s VAL 62 Ca 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2yu7 s VAL 62 Cb -0.36 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2yu7 s VAL 62 CO 0.47 -0.30 -0.05 -0.89 0.00 0.00 0.00 175.10 174.33 2yu7 s THR 63 N -2.16 0.69 -0.44 3.92 2.01 -0.40 -4.93 115.64 114.32 2yu7 s THR 63 Ca 0.35 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 2yu7 s THR 63 Cb -0.08 -0.74 0.09 0.00 0.01 0.00 0.00 72.50 71.78 2yu7 s THR 63 CO 0.26 0.29 0.30 -1.00 -0.69 0.00 0.00 174.62 173.78 2yu7 s HIS 64 N 1.45 3.35 -0.38 4.92 3.76 -1.25 -2.13 115.29 125.01 2yu7 s HIS 64 Ca -0.02 -1.54 -0.14 0.00 -0.15 0.00 0.00 55.06 53.21 2yu7 s HIS 64 Cb -0.13 -3.11 0.01 0.00 1.11 0.00 0.00 32.58 30.45 2yu7 s HIS 64 CO -0.04 -0.88 0.26 0.42 -0.85 0.00 0.00 174.74 173.66 2yu7 s ILE 65 N 1.44 5.13 -0.12 0.60 1.01 0.11 -4.87 121.20 124.49 2yu7 s ILE 65 Ca 0.04 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.81 2yu7 s ILE 65 Cb -0.24 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 2yu7 s ILE 65 CO 0.02 -0.20 2.04 0.29 0.00 0.00 0.00 174.94 177.09 2yu7 n LYS 66 N 5.11 2.18 -3.43 2.79 5.02 -1.26 -1.43 118.16 127.14 2yu7 n LYS 66 Ca -0.12 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.50 2yu7 n LYS 66 Cb 0.48 -2.89 -0.10 0.00 -0.02 0.00 0.00 35.03 32.50 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 5.79 5.20 0.35 -0.18 1.01 0.93 -4.61 120.40 128.89 2yu7 s VAL 67 Ca 0.96 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.63 2yu7 s VAL 67 Cb -0.54 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 2yu7 s VAL 67 CO 0.44 -0.10 0.93 -0.04 0.00 0.00 0.00 175.10 176.33 2yu7 s MET 68 N 1.94 4.43 -0.06 2.72 -1.94 0.69 -1.41 119.30 125.66 2yu7 s MET 68 Ca 0.10 1.22 -0.03 0.00 -1.71 0.00 0.00 55.69 55.27 2yu7 s MET 68 Cb -0.17 -2.59 0.04 0.00 2.01 0.00 0.00 34.83 34.13 2yu7 s MET 68 CO 0.11 0.18 0.12 0.00 -0.01 0.00 0.00 175.02 175.42 2yu7 s GLU 70 N 1.96 2.17 0.00 0.00 0.41 -1.15 -4.85 118.70 117.25 2yu7 s GLU 70 Ca 0.00 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.45 2yu7 s GLU 70 Cb -0.12 -2.69 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 2yu7 s GLU 70 CO -0.05 -0.50 0.00 0.41 -0.49 0.00 0.00 175.26 174.63 2yu7 n GLY 71 N 4.55 1.33 0.11 -1.39 0.00 -1.26 -2.23 105.19 106.30 2yu7 n GLY 71 Ca -0.15 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.30 3.38 -0.02 0.00 -1.26 -5.13 105.19 101.86 2yu7 n GLY 72 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.78 -3.81 1.61 1.74 -0.95 -4.57 116.66 111.46 2yu7 n ARG 73 Ca 0.00 -3.10 -0.12 0.00 -0.77 0.00 0.00 57.85 53.86 2yu7 n ARG 73 Cb 0.52 0.39 -0.10 0.00 -1.02 0.00 0.00 32.46 32.24 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 -2.46 -0.12 0.29 -1.55 2.02 -0.41 -2.94 117.35 112.17 2yu7 s TYR 74 Ca 0.25 0.24 -0.15 0.00 -0.37 0.00 0.00 57.07 57.04 2yu7 s TYR 74 Cb -0.02 0.04 0.01 0.00 -0.40 0.00 0.00 41.96 41.59 2yu7 s TYR 74 CO 0.16 -0.26 0.60 -0.08 -1.57 0.00 0.00 175.55 174.40 2yu7 s THR 75 N -0.86 0.00 -0.14 -0.71 -1.32 0.30 0.21 115.64 113.13 2yu7 s THR 75 Ca -0.09 -1.23 -0.04 0.00 -1.21 0.00 0.00 61.69 59.11 2yu7 s THR 75 Cb -0.05 -2.28 0.05 0.00 -1.51 0.00 0.00 72.50 68.72 2yu7 s THR 75 CO 0.02 0.00 0.09 0.68 -2.21 0.00 0.00 174.62 173.20 2yu7 s VAL 76 N -3.64 -0.11 -0.15 5.08 -7.23 -1.26 -0.22 120.40 112.87 2yu7 s VAL 76 Ca 0.18 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2yu7 s VAL 76 Cb -0.03 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.45 2yu7 s VAL 76 CO 0.10 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2yu7 n GLY 77 N 5.29 0.01 2.66 2.32 0.00 -1.26 -4.78 105.19 109.42 2yu7 n GLY 77 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.13 2.71 0.09 -0.02 0.00 -1.26 -5.06 105.19 101.51 2yu7 n GLY 78 Ca -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 2yu7 n GLY 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2yu7 n LEU 79 N 0.00 0.70 -4.53 0.99 -0.00 -1.26 -4.84 117.00 108.06 2yu7 n LEU 79 Ca 0.03 0.32 -0.33 0.00 -0.00 0.00 0.00 56.01 56.03 2yu7 n LEU 79 Cb 0.48 0.16 -0.10 0.00 -0.00 0.00 0.00 43.42 43.96 2yu7 n LEU 79 CO 0.24 0.25 2.00 -0.62 -0.00 0.00 0.00 177.39 179.26 2yu7 n GLU 80 N -2.88 0.48 -3.31 1.47 1.02 -1.26 -4.86 120.64 111.30 2yu7 n GLU 80 Ca -0.15 -0.12 -0.45 0.00 -0.02 0.00 0.00 57.16 56.42 2yu7 n GLU 80 Cb 0.93 -2.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.78 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 10.01 5.18 0.72 2.62 -4.23 -1.26 -4.23 115.64 124.46 2yu7 s THR 81 Ca 1.15 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 2yu7 s THR 81 Cb -0.63 -4.30 0.02 0.00 1.34 0.00 0.00 72.50 68.93 2yu7 s THR 81 CO 0.35 -0.82 1.08 -0.36 -0.54 0.00 0.00 174.62 174.33 2yu7 s PHE 82 N 1.71 2.85 0.17 3.99 0.40 0.13 -4.66 117.98 122.58 2yu7 s PHE 82 Ca 0.04 1.49 -0.10 0.00 -0.60 0.00 0.00 56.93 57.76 2yu7 s PHE 82 Cb -0.28 -2.98 0.03 0.00 0.51 0.00 0.00 43.02 40.31 2yu7 s PHE 82 CO 0.04 -1.48 1.59 0.22 0.70 0.00 0.00 175.22 176.29 2yu7 h ASP 83 N -0.75 1.01 -5.09 1.36 3.58 -1.87 -1.09 116.42 113.57 2yu7 h ASP 83 Ca -0.44 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 56.66 2yu7 h ASP 83 Cb 1.22 -0.28 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 2yu7 h ASP 83 CO 0.54 1.12 0.06 -0.44 -2.88 0.00 0.00 179.24 177.64 2yu7 s SER 84 N -6.60 -0.25 0.42 2.28 0.01 -1.26 -4.38 113.70 103.92 2yu7 s SER 84 Ca -0.12 -0.56 0.14 0.00 1.31 0.00 0.00 55.95 56.72 2yu7 s SER 84 Cb 0.13 0.62 1.01 0.00 0.21 0.00 0.00 66.02 67.98 2yu7 s SER 84 CO 0.86 -1.13 1.93 -0.07 0.41 0.00 0.00 173.24 175.24 2yu7 h LEU 85 N 2.15 0.42 -2.13 2.44 -0.00 -1.95 0.13 115.31 116.37 2yu7 h LEU 85 Ca -0.26 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2yu7 h LEU 85 Cb 1.26 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2yu7 h LEU 85 CO 0.34 0.23 0.02 0.74 -0.00 0.00 0.00 178.44 179.77 2yu7 h THR 86 N 0.45 0.85 0.00 0.22 2.02 -1.98 0.31 112.91 114.79 2yu7 h THR 86 Ca 0.35 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.31 2yu7 h THR 86 Cb 0.73 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2yu7 h THR 86 CO -0.11 0.00 -1.21 -0.78 0.37 0.00 0.00 175.52 173.79 2yu7 h ASP 87 N 0.00 0.00 -0.99 4.18 1.82 -1.21 -2.95 116.42 117.28 2yu7 h ASP 87 Ca 0.01 -0.53 0.01 0.00 -0.39 0.00 0.00 57.03 56.13 2yu7 h ASP 87 Cb 0.05 -0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.01 2yu7 h ASP 87 CO -0.00 1.47 0.66 0.25 -1.61 0.00 0.00 179.24 180.01 2yu7 h LEU 88 N -0.99 1.13 0.02 2.28 6.46 -1.10 -1.96 115.31 121.15 2yu7 h LEU 88 Ca -0.33 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2yu7 h LEU 88 Cb 1.30 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2yu7 h LEU 88 CO -0.20 0.81 -0.01 0.58 -0.62 0.00 0.00 178.44 179.00 2yu7 h VAL 89 N 1.33 1.42 -0.94 1.05 2.07 -0.56 -3.08 116.25 117.54 2yu7 h VAL 89 Ca 0.37 -1.39 0.24 0.00 0.82 0.00 0.00 66.70 66.74 2yu7 h VAL 89 Cb -0.14 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2yu7 h VAL 89 CO -0.08 0.35 0.64 -0.33 0.02 0.00 0.00 177.57 178.17 2yu7 h GLU 90 N -0.63 0.26 -0.36 1.57 4.39 -1.36 0.57 114.58 119.02 2yu7 h GLU 90 Ca -0.00 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2yu7 h GLU 90 Cb 0.60 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2yu7 h GLU 90 CO 0.00 0.17 -0.34 1.25 -1.16 0.00 0.00 179.01 178.94 2yu7 h HIS 91 N 0.27 0.95 0.00 4.33 2.76 -1.33 -3.06 115.15 119.06 2yu7 h HIS 91 Ca 0.49 -0.26 -0.14 0.00 -2.20 0.00 0.00 60.37 58.26 2yu7 h HIS 91 Cb 1.45 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.18 2yu7 h HIS 91 CO -0.00 1.03 -0.77 0.74 -1.30 0.00 0.00 177.93 177.63 2yu7 h PHE 92 N 0.67 0.00 0.00 5.26 0.04 -0.46 -2.45 116.94 120.01 2yu7 h PHE 92 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2yu7 h PHE 92 Cb 0.89 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 2yu7 h PHE 92 CO 0.05 0.61 -0.02 0.87 -0.60 0.00 0.00 178.31 179.21 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 0.06 1.87 116.57 121.58 2yu7 h LYS 93 Ca -0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.39 2yu7 h LYS 93 Cb 1.50 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.75 2yu7 h LYS 93 CO 0.07 0.02 -2.26 0.36 -0.57 0.00 0.00 179.45 177.08 2yu7 n LYS 94 N -3.70 0.53 -0.07 3.15 2.85 -1.21 -4.63 118.16 115.08 2yu7 n LYS 94 Ca -0.03 0.15 -0.21 0.00 -1.05 0.00 0.00 58.31 57.18 2yu7 n LYS 94 Cb 0.11 -1.41 -0.12 0.00 -0.65 0.00 0.00 35.03 32.96 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 -0.23 1.00 0.00 0.58 1.35 -1.32 -3.52 112.91 110.78 2yu7 h THR 95 Ca -0.52 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 2yu7 h THR 95 Cb 1.69 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 2yu7 h THR 95 CO -0.15 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 2yu7 n GLY 96 N 1.58 2.32 3.72 5.82 0.00 0.63 -5.01 105.19 114.26 2yu7 n GLY 96 Ca -0.28 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.51 5.26 -0.19 -0.61 1.01 -0.56 -4.83 121.20 118.76 2yu7 s ILE 97 Ca 0.00 0.71 -0.12 0.00 0.00 0.00 0.00 60.65 61.23 2yu7 s ILE 97 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2yu7 s ILE 97 CO 0.00 0.36 0.24 -0.70 0.00 0.00 0.00 174.94 174.83 2yu7 s GLU 98 N 0.58 4.19 0.14 2.79 2.12 -1.26 -0.46 118.70 126.80 2yu7 s GLU 98 Ca 0.20 -0.05 -0.14 0.00 0.36 0.00 0.00 54.97 55.34 2yu7 s GLU 98 Cb -0.14 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 30.72 2yu7 s GLU 98 CO 0.06 0.18 0.55 -1.21 -0.54 0.00 0.00 175.26 174.30 2yu7 s GLU 99 N 0.68 3.98 0.28 4.30 2.02 -0.03 -4.94 118.70 124.99 2yu7 s GLU 99 Ca 0.13 0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.64 2yu7 s GLU 99 Cb -0.13 -2.95 0.72 0.00 0.10 0.00 0.00 34.13 31.87 2yu7 s GLU 99 CO 0.03 0.49 1.39 0.00 0.02 0.00 0.00 175.26 177.19 2yu7 n ALA 100 N 0.85 0.49 -0.21 5.21 0.00 -1.26 0.23 120.51 125.82 2yu7 n ALA 100 Ca -0.06 0.95 -0.02 0.00 0.00 0.00 0.00 53.44 54.31 2yu7 n ALA 100 Cb 0.52 -0.71 0.18 0.00 0.00 0.00 0.00 19.45 19.43 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 0.90 0.00 0.00 4.64 -2.04 -3.46 113.55 113.59 2yu7 h SER 101 Ca 0.55 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2yu7 h SER 101 Cb 1.18 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2yu7 h SER 101 CO -0.82 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 2yu7 n GLY 102 N -1.09 1.23 3.29 -0.77 0.00 0.64 -5.13 105.19 103.35 2yu7 n GLY 102 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.35 -3.84 4.61 0.00 -1.25 -4.46 120.51 112.22 2yu7 n ALA 103 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 2yu7 n ALA 103 Cb 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 19.45 17.71 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 -2.17 2.15 -0.26 0.00 0.08 -1.26 -0.85 117.98 115.67 2yu7 s PHE 104 Ca 0.53 -1.84 -0.26 0.00 0.12 0.00 0.00 56.93 55.48 2yu7 s PHE 104 Cb -0.24 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2yu7 s PHE 104 CO 0.71 -0.83 0.93 0.08 -0.10 0.00 0.00 175.22 176.01 2yu7 s VAL 105 N 1.47 4.72 -0.21 -0.44 1.01 0.39 -4.89 120.40 122.45 2yu7 s VAL 105 Ca 0.04 1.67 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 2yu7 s VAL 105 Cb -0.18 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2yu7 s VAL 105 CO -0.15 -0.21 0.10 -0.31 0.00 0.00 0.00 175.10 174.53 2yu7 s TYR 106 N 3.12 3.25 -0.37 5.22 2.02 -1.26 -1.50 117.35 127.83 2yu7 s TYR 106 Ca 0.39 0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 57.05 2yu7 s TYR 106 Cb -0.14 -2.17 0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2yu7 s TYR 106 CO 0.09 0.04 0.17 -0.51 -1.57 0.00 0.00 175.55 173.77 2yu7 s LEU 107 N 0.82 4.62 0.00 -1.29 1.02 -1.26 -4.41 118.68 118.17 2yu7 s LEU 107 Ca 0.05 -1.17 0.00 0.00 0.02 0.00 0.00 54.13 53.03 2yu7 s LEU 107 Cb -0.13 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.14 2yu7 s LEU 107 CO 0.02 -0.39 0.00 0.54 0.02 0.00 0.00 176.35 176.55 2yu7 n ARG 108 N 4.89 1.92 -3.35 1.70 1.74 -0.87 -4.46 116.66 118.23 2yu7 n ARG 108 Ca -0.12 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.51 2yu7 n ARG 108 Cb 0.45 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 30.96 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 -1.74 2.97 -0.92 5.56 -0.21 -1.08 -5.01 119.66 119.23 2yu7 s GLN 109 Ca 0.00 -1.79 -0.24 0.00 0.02 0.00 0.00 55.36 53.35 2yu7 s GLN 109 Cb 0.00 -4.26 -0.05 0.00 1.00 0.00 0.00 33.01 29.70 2yu7 s GLN 109 CO 0.00 -1.31 1.94 -1.25 -2.12 0.00 0.00 175.29 172.56 2yu7 s PRO 110 N 1.44 2.56 0.24 2.91 0.04 -1.26 -2.44 135.00 138.49 2yu7 s PRO 110 Ca 0.05 -0.35 -0.27 0.00 0.04 0.00 0.00 61.00 60.46 2yu7 s PRO 110 Cb -0.28 -5.08 -0.16 0.00 0.04 0.00 0.00 34.50 29.03 2yu7 s PRO 110 CO 0.01 -3.41 0.63 0.98 0.04 0.00 0.00 177.00 175.25 2yu7 n TYR 111 N 13.98 -0.11 -3.75 0.56 9.36 -0.52 -4.76 117.16 131.93 2yu7 n TYR 111 Ca 0.40 0.87 -0.30 0.00 3.32 0.00 0.00 57.90 62.20 2yu7 n TYR 111 Cb 0.47 -2.03 -0.13 0.00 -0.63 0.00 0.00 39.34 37.02 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 -1.07 2.11 -1.17 2.98 2.02 -1.26 -4.10 117.35 116.86 2yu7 s TYR 112 Ca 0.62 -2.39 -0.02 0.00 -0.37 0.00 0.00 57.07 54.92 2yu7 s TYR 112 Cb -0.84 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 2yu7 s TYR 112 CO 0.57 -0.80 0.04 -1.13 -1.57 0.00 0.00 175.55 172.66 2yu7 n SER 113 N 3.77 0.54 -3.72 2.29 3.41 -1.26 -4.46 113.62 114.18 2yu7 n SER 113 Ca 0.06 -0.94 -0.34 0.00 -0.26 0.00 0.00 58.87 57.39 2yu7 n SER 113 Cb 0.36 -1.18 -0.12 0.00 -0.26 0.00 0.00 64.21 63.01 2yu7 n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu7 n GLY 114 N -2.07 -0.40 0.00 5.00 0.00 -1.26 -4.70 105.19 101.76 2yu7 n GLY 114 Ca -0.22 0.96 0.08 0.00 0.00 0.00 0.00 46.02 46.84 2yu7 n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yu7 n PRO 115 N 7.02 0.39 -2.75 1.61 -0.04 -1.26 -4.86 135.00 135.11 2yu7 n PRO 115 Ca 0.54 0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2yu7 n PRO 115 Cb 0.02 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.03 2yu7 n PRO 115 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu7 n SER 116 N -1.11 -3.25 -0.14 3.54 7.64 -1.26 -4.96 113.62 114.08 2yu7 n SER 116 Ca 0.10 -0.40 0.10 0.00 1.01 0.00 0.00 58.87 59.67 2yu7 n SER 116 Cb 0.08 -3.37 0.15 0.00 -1.01 0.00 0.00 64.21 60.06 2yu7 n SER 116 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu7 n SER 117 N -2.42 2.31 -0.10 6.43 2.88 -1.26 -5.07 113.62 116.38 2yu7 n SER 117 Ca -0.12 -3.18 0.16 0.00 -1.33 0.00 0.00 58.87 54.40 2yu7 n SER 117 Cb 0.59 -0.44 0.86 0.00 -0.75 0.00 0.00 64.21 64.47 2yu7 n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42