#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 6.59 0.30 1.61 0.15 -1.26 -4.97 113.70 116.12 2yu7 s SER 2 Ca 0.00 -1.72 0.09 0.00 0.70 0.00 0.00 55.95 55.01 2yu7 s SER 2 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2yu7 s SER 2 CO 0.00 -1.40 0.10 -0.55 1.20 0.00 0.00 173.24 172.60 2yu7 s SER 3 N 4.70 4.78 -0.29 5.45 0.15 -1.26 -5.11 113.70 122.12 2yu7 s SER 3 Ca 0.47 -0.64 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 2yu7 s SER 3 Cb 0.00 -0.88 0.03 0.00 -1.71 0.00 0.00 66.02 63.46 2yu7 s SER 3 CO -0.06 -0.15 0.02 -0.83 1.20 0.00 0.00 173.24 173.42 2yu7 s GLY 4 N -3.79 1.74 0.23 9.45 0.00 -1.26 -4.98 107.32 108.71 2yu7 s GLY 4 Ca 0.35 -1.57 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 2yu7 s GLY 4 CO 0.22 0.64 1.88 1.48 0.00 0.00 0.00 173.10 177.32 2yu7 h SER 5 N 8.11 1.08 -3.68 1.64 4.64 -1.99 -3.45 113.55 119.90 2yu7 h SER 5 Ca -0.28 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2yu7 h SER 5 Cb 1.10 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2yu7 h SER 5 CO 0.58 0.83 0.00 -1.20 -0.87 0.00 0.00 176.83 176.17 2yu7 n SER 6 N -4.39 -0.58 -0.26 4.97 7.64 -1.26 -4.34 113.62 115.40 2yu7 n SER 6 Ca 0.10 0.29 0.03 0.00 1.01 0.00 0.00 58.87 60.30 2yu7 n SER 6 Cb 0.06 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.48 2yu7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu7 n GLY 7 N -0.29 -2.30 0.29 0.23 0.00 -1.26 -4.35 105.19 97.51 2yu7 n GLY 7 Ca 0.00 -1.41 0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.25 0.00 -2.58 1.61 5.08 -1.76 -3.43 115.95 114.62 2yu7 h TRP 8 Ca -0.02 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.38 2yu7 h TRP 8 Cb 0.24 0.00 0.07 0.00 -3.00 0.00 0.00 29.16 26.48 2yu7 h TRP 8 CO 0.00 0.00 0.76 0.98 -1.28 0.00 0.00 178.44 178.90 2yu7 n TYR 9 N -4.05 2.35 -0.01 0.12 9.36 -1.26 -4.24 117.16 119.43 2yu7 n TYR 9 Ca -0.02 0.31 -0.01 0.00 3.32 0.00 0.00 57.90 61.49 2yu7 n TYR 9 Cb 0.12 -2.53 -0.00 0.00 -0.63 0.00 0.00 39.34 36.29 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 2.75 0.01 0.00 2.98 8.25 -1.20 -4.95 115.22 123.07 2yu7 n HIS 10 Ca 0.14 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2yu7 n HIS 10 Cb 0.31 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 1.52 3.63 3.12 -1.41 0.00 -1.26 -5.08 105.19 105.70 2yu7 n GLY 11 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.40 -0.26 1.61 2.46 -1.26 -4.10 115.29 113.34 2yu7 s HIS 12 Ca 0.00 0.91 -0.27 0.00 0.47 0.00 0.00 55.06 56.17 2yu7 s HIS 12 Cb 0.00 0.11 0.16 0.00 -0.13 0.00 0.00 32.58 32.72 2yu7 s HIS 12 CO 0.00 -0.26 1.22 1.41 -2.47 0.00 0.00 174.74 174.64 2yu7 s MET 13 N 1.22 0.29 0.08 2.88 0.00 -1.26 -4.95 119.30 117.56 2yu7 s MET 13 Ca -0.09 0.19 0.03 0.00 0.00 0.00 0.00 55.69 55.82 2yu7 s MET 13 Cb -0.09 0.14 -0.04 0.00 0.00 0.00 0.00 34.83 34.84 2yu7 s MET 13 CO -0.09 -0.07 0.09 -1.54 0.00 0.00 0.00 175.02 173.41 2yu7 s SER 14 N -0.50 5.56 0.48 1.11 1.04 -1.26 -4.57 113.70 115.55 2yu7 s SER 14 Ca 0.05 -0.01 0.32 0.00 0.48 0.00 0.00 55.95 56.79 2yu7 s SER 14 Cb -0.03 -1.50 1.42 0.00 0.10 0.00 0.00 66.02 66.01 2yu7 s SER 14 CO -0.07 0.17 1.72 1.23 0.98 0.00 0.00 173.24 177.27 2yu7 h GLY 15 N 3.25 0.68 2.00 7.32 0.00 -2.00 0.97 103.07 115.30 2yu7 h GLY 15 Ca -0.47 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 2yu7 h GLY 15 CO 0.66 -0.14 -0.51 -1.33 0.00 0.00 0.00 176.54 175.22 2yu7 h GLY 16 N 0.13 0.00 1.43 4.60 0.00 -2.01 -3.14 103.07 104.08 2yu7 h GLY 16 Ca 0.69 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.72 2yu7 h GLY 16 CO -0.20 0.00 -1.28 -1.61 0.00 0.00 0.00 176.54 173.45 2yu7 h GLN 17 N 0.00 0.44 0.40 4.80 5.75 0.56 -3.33 115.11 123.73 2yu7 h GLN 17 Ca -0.01 -0.68 -0.02 0.00 -0.15 0.00 0.00 58.65 57.80 2yu7 h GLN 17 Cb 1.22 0.24 0.00 0.00 1.07 0.00 0.00 27.48 30.01 2yu7 h GLN 17 CO 0.07 1.31 -0.19 0.00 -2.65 0.00 0.00 178.83 177.36 2yu7 h ALA 18 N 0.41 -1.08 -1.19 3.38 0.00 -1.28 -1.73 119.26 117.77 2yu7 h ALA 18 Ca -0.18 -0.12 0.41 0.00 0.00 0.00 0.00 54.91 55.02 2yu7 h ALA 18 Cb 1.98 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 2yu7 h ALA 18 CO 0.23 -1.04 0.77 0.39 0.00 0.00 0.00 179.25 179.61 2yu7 n GLU 19 N -3.53 -0.03 0.05 0.00 1.02 -1.19 0.68 120.64 117.64 2yu7 n GLU 19 Ca -0.07 1.04 -0.10 0.00 -0.02 0.00 0.00 57.16 58.01 2yu7 n GLU 19 Cb 0.21 -2.08 -0.07 0.00 -0.02 0.00 0.00 31.44 29.48 2yu7 n GLU 19 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2yu7 h THR 20 N 0.00 0.83 0.87 2.62 2.02 -1.61 -2.71 112.91 114.94 2yu7 h THR 20 Ca 0.74 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 2yu7 h THR 20 Cb 2.44 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 2yu7 h THR 20 CO -0.37 0.22 -0.48 -0.07 0.37 0.00 0.00 175.52 175.19 2yu7 h LEU 21 N -0.88 -1.19 -0.76 2.58 3.38 0.12 0.27 115.31 118.82 2yu7 h LEU 21 Ca -0.02 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.18 2yu7 h LEU 21 Cb 0.52 0.33 -0.13 0.00 0.09 0.00 0.00 40.66 41.47 2yu7 h LEU 21 CO 0.03 -0.77 0.01 -0.07 0.09 0.00 0.00 178.44 177.74 2yu7 h LEU 22 N -1.25 -0.34 -1.23 1.67 3.38 -0.96 0.81 115.31 117.39 2yu7 h LEU 22 Ca -0.12 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2yu7 h LEU 22 Cb 0.98 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2yu7 h LEU 22 CO 0.15 -0.18 -0.26 1.56 0.09 0.00 0.00 178.44 179.80 2yu7 h GLN 23 N 0.11 0.00 0.34 1.13 4.20 -1.29 -3.01 115.11 116.59 2yu7 h GLN 23 Ca 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.11 2yu7 h GLN 23 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2yu7 h GLN 23 CO -0.67 0.26 -0.16 0.00 -0.67 0.00 0.00 178.83 177.59 2yu7 h ALA 24 N 1.74 -0.46 -0.40 3.87 0.00 0.43 -3.11 119.26 121.33 2yu7 h ALA 24 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yu7 h ALA 24 Cb 0.71 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2yu7 h ALA 24 CO 0.03 -0.72 0.23 -0.22 0.00 0.00 0.00 179.25 178.57 2yu7 h LYS 25 N -0.53 0.54 0.00 0.00 3.64 -1.41 -3.47 116.57 115.34 2yu7 h LYS 25 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2yu7 h LYS 25 Cb 0.40 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2yu7 h LYS 25 CO 0.08 0.42 0.00 0.41 -2.27 0.00 0.00 179.45 178.09 2yu7 n GLY 26 N -1.05 0.59 3.53 5.01 0.00 -1.14 -5.04 105.19 107.09 2yu7 n GLY 26 Ca 0.00 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.12 3.70 0.59 1.61 0.41 -1.26 -5.08 118.70 116.54 2yu7 s GLU 27 Ca 0.00 -0.49 -0.18 0.00 -0.41 0.00 0.00 54.97 53.90 2yu7 s GLU 27 Cb 0.00 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.67 2yu7 s GLU 27 CO 0.00 -0.29 1.12 -1.25 -0.49 0.00 0.00 175.26 174.35 2yu7 s PRO 28 N 1.71 3.15 -1.23 0.39 0.04 -1.26 -3.50 135.00 134.30 2yu7 s PRO 28 Ca 0.06 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 2yu7 s PRO 28 Cb -0.16 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2yu7 s PRO 28 CO 0.09 -1.00 0.26 0.91 0.04 0.00 0.00 177.00 177.30 2yu7 n TRP 29 N -1.72 -1.15 -3.55 0.56 5.03 0.88 -4.75 117.44 112.74 2yu7 n TRP 29 Ca 0.11 0.22 -0.40 0.00 3.03 0.00 0.00 57.50 60.47 2yu7 n TRP 29 Cb 0.51 -3.44 -0.11 0.00 -1.03 0.00 0.00 31.31 27.25 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 -2.91 5.29 0.13 -0.99 2.01 -1.20 -2.13 115.64 115.85 2yu7 s THR 30 Ca 0.13 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.09 2yu7 s THR 30 Cb -0.06 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2yu7 s THR 30 CO 0.16 0.07 0.06 0.72 -0.69 0.00 0.00 174.62 174.94 2yu7 s PHE 31 N 1.74 3.05 -0.18 4.92 -0.71 -0.92 -0.10 117.98 125.78 2yu7 s PHE 31 Ca 0.06 -0.03 -0.12 0.00 -1.04 0.00 0.00 56.93 55.80 2yu7 s PHE 31 Cb -0.17 -1.51 0.05 0.00 -1.21 0.00 0.00 43.02 40.19 2yu7 s PHE 31 CO 0.11 0.51 0.45 -0.48 -1.34 0.00 0.00 175.22 174.47 2yu7 s LEU 32 N -2.76 -0.02 0.02 -1.99 0.05 0.88 -1.02 118.68 113.84 2yu7 s LEU 32 Ca 0.29 0.95 -0.13 0.00 0.05 0.00 0.00 54.13 55.28 2yu7 s LEU 32 Cb -0.11 1.51 -0.06 0.00 -2.05 0.00 0.00 46.19 45.49 2yu7 s LEU 32 CO 0.21 -0.18 0.40 -0.69 -0.55 0.00 0.00 176.35 175.54 2yu7 s VAL 33 N 0.97 5.05 0.04 1.48 1.01 -1.26 -1.95 120.40 125.75 2yu7 s VAL 33 Ca -0.06 0.72 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 2yu7 s VAL 33 Cb -0.06 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2yu7 s VAL 33 CO -0.08 0.50 0.31 0.00 0.00 0.00 0.00 175.10 175.82 2yu7 s ARG 34 N -1.32 0.81 0.18 2.72 1.70 -1.02 -3.23 118.95 118.79 2yu7 s ARG 34 Ca 0.26 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2yu7 s ARG 34 Cb -0.16 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.50 2yu7 s ARG 34 CO 0.14 -0.26 0.93 -1.83 -1.08 0.00 0.00 175.30 173.21 2yu7 s GLU 35 N -2.48 4.77 0.25 3.89 -1.05 -1.26 -0.29 118.70 122.53 2yu7 s GLU 35 Ca -0.05 1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 55.91 2yu7 s GLU 35 Cb -0.01 -3.32 -0.09 0.00 -0.44 0.00 0.00 34.13 30.27 2yu7 s GLU 35 CO -0.03 0.39 1.09 0.45 0.95 0.00 0.00 175.26 178.12 2yu7 s SER 36 N -0.67 7.28 -0.17 0.83 0.15 -0.34 -4.44 113.70 116.34 2yu7 s SER 36 Ca 0.43 2.21 -0.17 0.00 0.70 0.00 0.00 55.95 59.11 2yu7 s SER 36 Cb -0.25 -2.62 -0.14 0.00 -1.71 0.00 0.00 66.02 61.30 2yu7 s SER 36 CO 0.31 -0.15 0.19 -0.07 1.20 0.00 0.00 173.24 174.71 2yu7 h LEU 37 N 4.18 0.00 -0.33 3.45 3.38 -1.88 -3.39 115.31 120.72 2yu7 h LEU 37 Ca -0.46 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.13 2yu7 h LEU 37 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2yu7 h LEU 37 CO 0.69 1.12 0.13 -1.28 0.09 0.00 0.00 178.44 179.18 2yu7 h SER 38 N -1.00 0.17 -3.38 -0.43 0.87 -1.99 -3.37 113.55 104.42 2yu7 h SER 38 Ca -0.16 0.03 -0.73 0.00 -1.23 0.00 0.00 61.79 59.69 2yu7 h SER 38 Cb 0.91 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.66 2yu7 h SER 38 CO -0.10 0.13 -0.37 -1.10 -0.53 0.00 0.00 176.83 174.86 2yu7 s GLN 39 N -6.16 2.97 -0.29 2.24 -1.52 -1.26 -5.04 119.66 110.59 2yu7 s GLN 39 Ca -0.13 -1.22 -0.29 0.00 -1.95 0.00 0.00 55.36 51.77 2yu7 s GLN 39 Cb 0.11 -4.06 -0.02 0.00 -0.22 0.00 0.00 33.01 28.82 2yu7 s GLN 39 CO 0.71 -0.92 1.66 -1.25 -0.25 0.00 0.00 175.29 175.24 2yu7 s PRO 40 N 1.65 3.58 0.00 2.91 0.04 -1.26 -2.67 135.00 139.25 2yu7 s PRO 40 Ca 0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2yu7 s PRO 40 Cb -0.22 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2yu7 s PRO 40 CO 0.08 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2yu7 n GLY 41 N 5.03 1.20 3.92 0.56 0.00 -1.26 -5.09 105.19 109.55 2yu7 n GLY 41 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.44 4.66 0.19 1.61 1.11 -1.09 -4.63 116.67 118.08 2yu7 s ASP 42 Ca 0.00 0.58 0.04 0.00 0.18 0.00 0.00 52.55 53.34 2yu7 s ASP 42 Cb 0.00 -1.15 -0.05 0.00 1.07 0.00 0.00 42.92 42.79 2yu7 s ASP 42 CO 0.00 -1.74 -0.04 -0.36 1.18 0.00 0.00 175.17 174.20 2yu7 s PHE 43 N -3.39 1.39 -0.08 4.23 0.08 -0.23 -1.20 117.98 118.78 2yu7 s PHE 43 Ca 0.61 -0.87 0.03 0.00 0.12 0.00 0.00 56.93 56.82 2yu7 s PHE 43 Cb -0.11 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.58 2yu7 s PHE 43 CO 0.47 -0.02 -0.18 0.08 -0.10 0.00 0.00 175.22 175.47 2yu7 s VAL 44 N -3.42 1.59 -0.31 -0.44 1.01 0.60 0.65 120.40 120.08 2yu7 s VAL 44 Ca 0.23 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 2yu7 s VAL 44 Cb 0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2yu7 s VAL 44 CO 0.05 0.46 0.30 -0.22 0.00 0.00 0.00 175.10 175.69 2yu7 s LEU 45 N 0.54 4.29 -0.09 3.92 1.98 -0.76 -2.44 118.68 126.13 2yu7 s LEU 45 Ca -0.16 -0.12 -0.00 0.00 -2.89 0.00 0.00 54.13 50.96 2yu7 s LEU 45 Cb -0.17 -2.27 -0.03 0.00 0.66 0.00 0.00 46.19 44.39 2yu7 s LEU 45 CO 0.06 -0.23 -0.07 -0.55 -1.89 0.00 0.00 176.35 173.67 2yu7 s SER 46 N 1.72 4.65 -0.05 3.68 0.15 -0.82 -0.23 113.70 122.78 2yu7 s SER 46 Ca 0.10 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 2yu7 s SER 46 Cb -0.16 -1.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.86 2yu7 s SER 46 CO 0.11 0.31 0.12 -0.69 1.20 0.00 0.00 173.24 174.30 2yu7 s VAL 47 N -0.52 -0.04 -0.24 4.45 1.01 -0.84 -0.09 120.40 124.14 2yu7 s VAL 47 Ca 0.08 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2yu7 s VAL 47 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 2yu7 s VAL 47 CO 0.02 0.06 0.73 -0.22 0.00 0.00 0.00 175.10 175.69 2yu7 s LEU 48 N 0.95 4.09 0.33 3.92 2.96 0.86 -1.58 118.68 130.20 2yu7 s LEU 48 Ca -0.07 0.89 -0.20 0.00 -0.22 0.00 0.00 54.13 54.52 2yu7 s LEU 48 Cb -0.10 -3.02 -0.10 0.00 0.50 0.00 0.00 46.19 43.48 2yu7 s LEU 48 CO -0.04 -0.42 0.84 -0.94 -1.32 0.00 0.00 176.35 174.46 2yu7 s SER 49 N 1.36 7.01 0.00 3.68 1.04 0.33 -0.09 113.70 127.03 2yu7 s SER 49 Ca 0.31 1.55 0.17 0.00 0.48 0.00 0.00 55.95 58.45 2yu7 s SER 49 Cb -0.15 -2.47 1.00 0.00 0.10 0.00 0.00 66.02 64.49 2yu7 s SER 49 CO 0.08 -0.17 1.40 -0.67 0.98 0.00 0.00 173.24 174.87 2yu7 n ASP 50 N -0.00 0.00 -4.68 7.02 2.03 -1.26 -4.10 116.55 115.56 2yu7 n ASP 50 Ca 0.03 -0.54 -0.36 0.00 0.52 0.00 0.00 54.79 54.44 2yu7 n ASP 50 Cb 0.52 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.83 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 -2.00 4.11 0.77 -0.67 -1.52 -1.26 -5.01 119.66 114.08 2yu7 s GLN 51 Ca 0.25 -0.25 -0.10 0.00 -1.95 0.00 0.00 55.36 53.30 2yu7 s GLN 51 Cb 0.11 -3.50 0.06 0.00 -0.22 0.00 0.00 33.01 29.46 2yu7 s GLN 51 CO 0.19 0.14 1.09 -1.25 -0.25 0.00 0.00 175.29 175.22 2yu7 s PRO 52 N 0.82 2.24 0.15 2.91 0.04 -1.26 -1.32 135.00 138.58 2yu7 s PRO 52 Ca 0.08 1.17 0.23 0.00 0.04 0.00 0.00 61.00 62.52 2yu7 s PRO 52 Cb -0.13 -1.90 0.21 0.00 0.04 0.00 0.00 34.50 32.73 2yu7 s PRO 52 CO 0.02 -1.65 1.22 1.57 0.04 0.00 0.00 177.00 178.20 2yu7 h LYS 53 N -1.14 0.00 0.00 4.56 2.10 -1.71 -3.42 116.57 116.97 2yu7 h LYS 53 Ca -0.44 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 57.97 2yu7 h LYS 53 Cb 1.23 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.50 2yu7 h LYS 53 CO 0.51 0.00 -0.24 0.00 -2.00 0.00 0.00 179.45 177.72 2yu7 n ALA 54 N -1.95 0.37 -0.00 0.07 0.00 -1.26 -5.05 120.51 112.69 2yu7 n ALA 54 Ca 0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 53.44 52.46 2yu7 n ALA 54 Cb 0.48 0.81 -0.00 0.00 0.00 0.00 0.00 19.45 20.74 2yu7 n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2yu7 h GLY 55 N 1.05 0.00 -7.19 0.00 0.00 -1.96 -3.42 103.07 91.56 2yu7 h GLY 55 Ca -0.12 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.67 2yu7 h GLY 55 CO 0.18 0.00 1.30 2.56 0.00 0.00 0.00 176.54 180.57 2yu7 s PRO 56 N -1.04 2.99 0.00 4.80 0.04 -1.26 -4.41 135.00 136.13 2yu7 s PRO 56 Ca -0.00 0.95 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2yu7 s PRO 56 Cb 0.00 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2yu7 s PRO 56 CO 0.01 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.17 2yu7 n GLY 57 N 5.53 0.00 3.18 0.56 0.00 -1.26 -4.98 105.19 108.22 2yu7 n GLY 57 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.54 1.61 0.20 1.61 1.04 -1.26 -5.00 113.70 111.36 2yu7 s SER 58 Ca 0.00 -0.69 -0.30 0.00 0.48 0.00 0.00 55.95 55.43 2yu7 s SER 58 Cb 0.00 -0.03 -0.09 0.00 0.10 0.00 0.00 66.02 66.00 2yu7 s SER 58 CO 0.00 -0.15 1.30 -2.16 0.98 0.00 0.00 173.24 173.21 2yu7 s PRO 59 N -2.16 4.40 0.32 4.02 0.04 -1.26 -4.55 135.00 135.81 2yu7 s PRO 59 Ca 0.01 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 2yu7 s PRO 59 Cb -0.07 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.14 2yu7 s PRO 59 CO 0.02 -0.23 1.20 1.28 0.04 0.00 0.00 177.00 179.30 2yu7 n LEU 60 N 2.53 2.94 -4.77 -3.56 4.32 -1.26 -2.35 117.00 114.85 2yu7 n LEU 60 Ca 0.06 1.20 -0.37 0.00 -0.02 0.00 0.00 56.01 56.87 2yu7 n LEU 60 Cb 0.43 -1.42 -0.00 0.00 -1.62 0.00 0.00 43.42 40.81 2yu7 n LEU 60 CO 0.58 -0.80 0.84 -0.60 -1.22 0.00 0.00 177.39 176.19 2yu7 s ARG 61 N -1.72 3.63 0.25 3.23 6.06 -0.44 -4.79 118.95 125.18 2yu7 s ARG 61 Ca 0.57 1.80 0.10 0.00 -2.50 0.00 0.00 55.73 55.69 2yu7 s ARG 61 Cb -0.62 -2.33 -0.04 0.00 0.06 0.00 0.00 34.95 32.02 2yu7 s ARG 61 CO 0.61 -0.66 -0.03 0.08 -2.50 0.00 0.00 175.30 172.79 2yu7 s VAL 62 N -1.55 3.34 -0.07 7.11 1.01 -1.26 -0.51 120.40 128.47 2yu7 s VAL 62 Ca 0.66 -1.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2yu7 s VAL 62 Cb -0.29 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2yu7 s VAL 62 CO 0.35 -0.33 -0.04 -0.89 0.00 0.00 0.00 175.10 174.20 2yu7 s THR 63 N -2.22 0.61 -0.33 3.92 2.01 -0.61 -4.95 115.64 114.07 2yu7 s THR 63 Ca 0.30 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 2yu7 s THR 63 Cb -0.07 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.78 2yu7 s THR 63 CO 0.19 0.28 0.14 -1.00 -0.69 0.00 0.00 174.62 173.54 2yu7 s HIS 64 N 1.50 3.20 -0.39 4.92 3.76 -1.26 -1.99 115.29 125.03 2yu7 s HIS 64 Ca -0.01 -0.91 -0.09 0.00 -0.15 0.00 0.00 55.06 53.89 2yu7 s HIS 64 Cb -0.13 -2.34 0.05 0.00 1.11 0.00 0.00 32.58 31.27 2yu7 s HIS 64 CO -0.04 -0.58 0.21 0.42 -0.85 0.00 0.00 174.74 173.90 2yu7 s ILE 65 N 1.54 4.26 -0.27 0.60 1.01 0.67 -4.91 121.20 124.10 2yu7 s ILE 65 Ca 0.02 -1.17 -0.39 0.00 0.00 0.00 0.00 60.65 59.11 2yu7 s ILE 65 Cb -0.18 -3.49 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 2yu7 s ILE 65 CO 0.05 -0.35 1.81 0.29 0.00 0.00 0.00 174.94 176.73 2yu7 n LYS 66 N 4.92 1.27 -3.44 2.79 4.76 -1.26 -1.82 118.16 125.38 2yu7 n LYS 66 Ca -0.11 0.46 -0.43 0.00 -2.87 0.00 0.00 58.31 55.36 2yu7 n LYS 66 Cb 0.44 -2.20 -0.07 0.00 -1.84 0.00 0.00 35.03 31.37 2yu7 n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2yu7 s VAL 67 N 3.96 4.69 0.02 -0.18 1.01 0.21 -4.34 120.40 125.76 2yu7 s VAL 67 Ca 0.99 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 2yu7 s VAL 67 Cb -1.01 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 31.28 2yu7 s VAL 67 CO 0.63 -0.83 1.27 -0.04 0.00 0.00 0.00 175.10 176.13 2yu7 s MET 68 N 1.40 4.36 -0.24 2.72 -1.94 0.82 -1.07 119.30 125.36 2yu7 s MET 68 Ca 0.05 1.82 -0.02 0.00 -1.71 0.00 0.00 55.69 55.84 2yu7 s MET 68 Cb -0.27 -3.46 0.02 0.00 2.01 0.00 0.00 34.83 33.13 2yu7 s MET 68 CO 0.01 -0.41 -0.07 0.00 -0.01 0.00 0.00 175.02 174.53 2yu7 s GLU 70 N 1.36 2.27 2.03 0.00 2.02 -1.12 -4.79 118.70 120.48 2yu7 s GLU 70 Ca 0.02 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.98 2yu7 s GLU 70 Cb -0.16 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.37 2yu7 s GLU 70 CO -0.05 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.51 2yu7 n GLY 71 N 4.31 1.73 0.58 -1.39 0.00 -1.26 -2.78 105.19 106.38 2yu7 n GLY 71 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 2.63 3.62 -0.02 0.00 -1.26 -5.08 105.19 105.08 2yu7 n GLY 72 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2yu7 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yu7 s ARG 73 N -1.37 2.07 0.02 1.61 3.00 -1.12 -4.28 118.95 118.90 2yu7 s ARG 73 Ca 0.22 -2.30 -0.07 0.00 0.00 0.00 0.00 55.73 53.57 2yu7 s ARG 73 Cb 0.22 -0.93 -0.00 0.00 0.00 0.00 0.00 34.95 34.23 2yu7 s ARG 73 CO -0.03 -0.48 0.13 0.71 0.00 0.00 0.00 175.30 175.63 2yu7 s TYR 74 N -3.07 0.11 0.23 -0.53 1.51 -0.95 -2.80 117.35 111.84 2yu7 s TYR 74 Ca 0.15 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 55.72 2yu7 s TYR 74 Cb 0.01 -0.08 0.02 0.00 -0.11 0.00 0.00 41.96 41.80 2yu7 s TYR 74 CO 0.10 -0.34 0.58 -0.08 -1.11 0.00 0.00 175.55 174.70 2yu7 s THR 75 N -2.08 0.01 -0.20 -0.71 -1.32 0.77 -0.43 115.64 111.68 2yu7 s THR 75 Ca -0.09 -0.91 -0.04 0.00 -1.21 0.00 0.00 61.69 59.44 2yu7 s THR 75 Cb -0.04 -1.79 0.10 0.00 -1.51 0.00 0.00 72.50 69.26 2yu7 s THR 75 CO -0.02 -0.05 0.30 0.68 -2.21 0.00 0.00 174.62 173.32 2yu7 s VAL 76 N -3.91 -0.47 0.00 5.08 -7.23 -1.26 -0.12 120.40 112.49 2yu7 s VAL 76 Ca 0.12 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2yu7 s VAL 76 Cb -0.03 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.23 2yu7 s VAL 76 CO 0.02 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 2yu7 n GLY 77 N 5.35 1.13 0.00 2.32 0.00 -1.26 -4.84 105.19 107.89 2yu7 n GLY 77 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.38 0.09 -0.02 0.00 -1.26 -5.04 105.19 100.34 2yu7 n GLY 78 Ca 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 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 0.37 -3.23 0.99 -0.00 -1.26 -4.91 117.00 108.97 2yu7 n LEU 79 Ca 0.00 0.18 -0.23 0.00 -0.00 0.00 0.00 56.01 55.96 2yu7 n LEU 79 Cb 0.00 0.34 -0.14 0.00 -0.00 0.00 0.00 43.42 43.63 2yu7 n LEU 79 CO 0.00 0.43 1.55 -0.62 -0.00 0.00 0.00 177.39 178.75 2yu7 n GLU 80 N -2.86 0.00 -3.14 1.47 4.71 -1.26 -4.80 120.64 114.76 2yu7 n GLU 80 Ca -0.25 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.46 2yu7 n GLU 80 Cb 1.09 -0.90 -0.05 0.00 -1.01 0.00 0.00 31.44 30.57 2yu7 n GLU 80 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2yu7 s THR 81 N 3.29 4.86 0.64 2.62 -4.23 -1.26 -4.30 115.64 117.27 2yu7 s THR 81 Ca 0.96 -0.85 -0.17 0.00 -1.18 0.00 0.00 61.69 60.46 2yu7 s THR 81 Cb -0.76 -4.41 -0.01 0.00 1.34 0.00 0.00 72.50 68.66 2yu7 s THR 81 CO 0.38 -0.99 1.15 -0.36 -0.54 0.00 0.00 174.62 174.26 2yu7 s PHE 82 N 2.60 2.47 0.61 3.99 0.40 0.43 -4.69 117.98 123.78 2yu7 s PHE 82 Ca 0.12 1.55 0.31 0.00 -0.60 0.00 0.00 56.93 58.31 2yu7 s PHE 82 Cb -0.23 -3.32 1.73 0.00 0.51 0.00 0.00 43.02 41.71 2yu7 s PHE 82 CO 0.08 -1.96 2.10 0.22 0.70 0.00 0.00 175.22 176.36 2yu7 h ASP 83 N 0.38 0.00 -5.32 1.36 3.58 -1.89 -2.53 116.42 112.01 2yu7 h ASP 83 Ca -0.48 0.00 0.28 0.00 0.42 0.00 0.00 57.03 57.25 2yu7 h ASP 83 Cb 1.27 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.19 2yu7 h ASP 83 CO 0.54 0.00 0.77 -0.55 -2.88 0.00 0.00 179.24 177.12 2yu7 s SER 84 N -5.52 -0.10 0.40 2.28 0.15 -1.26 -4.44 113.70 105.20 2yu7 s SER 84 Ca -0.05 -0.13 0.10 0.00 0.70 0.00 0.00 55.95 56.58 2yu7 s SER 84 Cb 0.14 0.20 0.89 0.00 -1.71 0.00 0.00 66.02 65.55 2yu7 s SER 84 CO 0.50 -0.36 1.97 -0.07 1.20 0.00 0.00 173.24 176.47 2yu7 h LEU 85 N 2.00 0.51 -1.28 3.45 3.38 -1.91 0.03 115.31 121.49 2yu7 h LEU 85 Ca -0.24 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2yu7 h LEU 85 Cb 1.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2yu7 h LEU 85 CO 0.27 0.32 0.19 0.74 0.09 0.00 0.00 178.44 180.04 2yu7 h THR 86 N 0.57 1.18 0.00 0.22 2.02 -1.98 0.26 112.91 115.18 2yu7 h THR 86 Ca 0.29 -0.57 -0.23 0.00 0.77 0.00 0.00 66.41 66.68 2yu7 h THR 86 Cb 0.41 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2yu7 h THR 86 CO -0.09 0.22 -1.19 0.44 0.37 0.00 0.00 175.52 175.27 2yu7 h ASP 87 N 0.68 0.00 0.59 4.18 5.19 -1.53 -1.73 116.42 123.81 2yu7 h ASP 87 Ca 0.16 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.37 2yu7 h ASP 87 Cb 0.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 2yu7 h ASP 87 CO -0.02 0.96 -0.92 0.25 -3.12 0.00 0.00 179.24 176.39 2yu7 h LEU 88 N 0.00 0.28 0.09 1.55 6.46 -0.60 -3.01 115.31 120.09 2yu7 h LEU 88 Ca -0.09 -0.24 -0.21 0.00 -0.12 0.00 0.00 57.88 57.21 2yu7 h LEU 88 Cb 1.82 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 41.66 2yu7 h LEU 88 CO 0.11 1.06 -1.08 0.58 -0.62 0.00 0.00 178.44 178.50 2yu7 h VAL 89 N 0.11 1.22 -0.82 1.05 2.07 -0.59 -3.29 116.25 116.01 2yu7 h VAL 89 Ca -0.05 -2.40 0.12 0.00 0.82 0.00 0.00 66.70 65.19 2yu7 h VAL 89 Cb 1.57 2.85 -0.08 0.00 -1.52 0.00 0.00 31.29 34.11 2yu7 h VAL 89 CO 0.14 0.65 0.43 1.05 0.02 0.00 0.00 177.57 179.86 2yu7 h GLU 90 N -0.50 0.66 -0.72 1.57 -0.00 -1.43 0.29 114.58 114.46 2yu7 h GLU 90 Ca -0.23 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.08 2yu7 h GLU 90 Cb 1.58 -0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 30.15 2yu7 h GLU 90 CO 0.04 0.43 0.42 1.25 -0.00 0.00 0.00 179.01 181.15 2yu7 h HIS 91 N 0.68 0.94 0.00 2.06 2.76 -1.67 -1.66 115.15 118.26 2yu7 h HIS 91 Ca 0.42 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.57 2yu7 h HIS 91 Cb 0.51 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 2yu7 h HIS 91 CO -0.08 0.64 -0.15 0.74 -1.30 0.00 0.00 177.93 177.77 2yu7 h PHE 92 N 0.99 0.00 0.00 5.26 0.04 -1.11 -2.04 116.94 120.08 2yu7 h PHE 92 Ca 0.26 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 2yu7 h PHE 92 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2yu7 h PHE 92 CO 0.00 0.08 -0.20 0.87 -0.60 0.00 0.00 178.31 178.47 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 0.47 0.97 116.57 121.10 2yu7 h LYS 93 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2yu7 h LYS 93 Cb 1.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 2yu7 h LYS 93 CO 0.01 0.20 -2.18 0.36 -0.57 0.00 0.00 179.45 177.27 2yu7 n LYS 94 N -3.74 0.68 -0.11 3.15 2.85 -1.16 -4.69 118.16 115.14 2yu7 n LYS 94 Ca -0.02 0.10 -0.23 0.00 -1.05 0.00 0.00 58.31 57.11 2yu7 n LYS 94 Cb 0.31 -1.42 -0.11 0.00 -0.65 0.00 0.00 35.03 33.16 2yu7 n LYS 94 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2yu7 n THR 95 N -3.02 1.54 0.00 0.58 -2.24 -0.77 -5.11 114.28 105.26 2yu7 n THR 95 Ca -0.35 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2yu7 n THR 95 Cb 0.92 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 2yu7 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yu7 n GLY 96 N 1.42 2.27 3.85 3.38 0.00 0.34 -5.01 105.19 111.44 2yu7 n GLY 96 Ca -0.35 -1.92 -0.37 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 -2.92 5.30 -0.17 -0.61 1.01 -0.58 -4.80 121.20 118.43 2yu7 s ILE 97 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2yu7 s ILE 97 Cb 0.00 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 2yu7 s ILE 97 CO 0.00 0.61 -0.04 -0.70 0.00 0.00 0.00 174.94 174.82 2yu7 s GLU 98 N -1.02 3.61 0.07 2.79 2.12 -1.26 -0.51 118.70 124.50 2yu7 s GLU 98 Ca 0.15 -0.54 -0.13 0.00 0.36 0.00 0.00 54.97 54.80 2yu7 s GLU 98 Cb -0.12 -2.94 -0.06 0.00 0.26 0.00 0.00 34.13 31.27 2yu7 s GLU 98 CO 0.04 0.15 0.45 -1.21 -0.54 0.00 0.00 175.26 174.15 2yu7 s GLU 99 N 0.60 3.90 0.13 4.30 2.02 0.71 -4.96 118.70 125.42 2yu7 s GLU 99 Ca -0.03 0.38 -0.13 0.00 0.02 0.00 0.00 54.97 55.21 2yu7 s GLU 99 Cb -0.14 -3.08 0.10 0.00 0.10 0.00 0.00 34.13 31.11 2yu7 s GLU 99 CO 0.02 0.59 0.98 0.00 0.02 0.00 0.00 175.26 176.87 2yu7 n ALA 100 N 1.27 -0.17 -0.22 5.21 0.00 -1.26 0.22 120.51 125.56 2yu7 n ALA 100 Ca -0.10 0.60 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 2yu7 n ALA 100 Cb 0.52 -0.23 0.09 0.00 0.00 0.00 0.00 19.45 19.84 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 0.51 0.00 0.00 4.64 -2.05 -3.46 113.55 113.19 2yu7 h SER 101 Ca 0.19 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2yu7 h SER 101 Cb 0.34 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2yu7 h SER 101 CO -0.62 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.28 2yu7 n GLY 102 N -1.28 0.96 3.46 -0.77 0.00 0.60 -5.13 105.19 103.03 2yu7 n GLY 102 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.30 -3.59 4.61 0.00 -1.25 -4.32 120.51 113.66 2yu7 n ALA 103 Ca 0.00 0.45 -0.35 0.00 0.00 0.00 0.00 53.44 53.53 2yu7 n ALA 103 Cb 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.85 3.27 -0.08 0.00 0.08 -1.26 -0.20 117.98 118.94 2yu7 s PHE 104 Ca 0.66 -1.82 -0.26 0.00 0.12 0.00 0.00 56.93 55.63 2yu7 s PHE 104 Cb -0.91 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 2yu7 s PHE 104 CO 0.57 -0.80 0.84 0.08 -0.10 0.00 0.00 175.22 175.81 2yu7 s VAL 105 N 1.27 4.93 -0.18 -0.44 1.01 0.34 -4.90 120.40 122.43 2yu7 s VAL 105 Ca -0.04 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.64 2yu7 s VAL 105 Cb -0.20 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2yu7 s VAL 105 CO -0.01 0.14 -0.09 -0.31 0.00 0.00 0.00 175.10 174.84 2yu7 s TYR 106 N 1.32 2.89 -0.60 5.22 2.02 -1.26 -1.52 117.35 125.42 2yu7 s TYR 106 Ca 0.43 -0.92 -0.14 0.00 -0.37 0.00 0.00 57.07 56.07 2yu7 s TYR 106 Cb -0.18 -1.99 0.15 0.00 -0.40 0.00 0.00 41.96 39.54 2yu7 s TYR 106 CO 0.19 -0.46 0.54 -0.51 -1.57 0.00 0.00 175.55 173.75 2yu7 s LEU 107 N 1.04 6.23 -0.03 -1.29 1.43 -1.26 -4.36 118.68 120.44 2yu7 s LEU 107 Ca -0.00 -2.03 0.02 0.00 -1.03 0.00 0.00 54.13 51.08 2yu7 s LEU 107 Cb -0.15 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2yu7 s LEU 107 CO -0.01 -0.76 -0.00 0.54 0.23 0.00 0.00 176.35 176.34 2yu7 n ARG 108 N 4.88 2.44 -3.53 1.70 1.74 -0.90 -4.57 116.66 118.42 2yu7 n ARG 108 Ca -0.06 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 2yu7 n ARG 108 Cb 0.42 -1.08 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.08 2.75 -0.91 5.56 -0.21 -0.93 -5.02 119.66 118.81 2yu7 s GLN 109 Ca -0.03 -2.05 -0.24 0.00 0.02 0.00 0.00 55.36 53.06 2yu7 s GLN 109 Cb 0.01 -4.01 -0.05 0.00 1.00 0.00 0.00 33.01 29.96 2yu7 s GLN 109 CO 0.12 -1.22 1.95 -1.25 -2.12 0.00 0.00 175.29 172.77 2yu7 s PRO 110 N 0.86 2.55 -0.07 2.91 0.04 -1.26 -2.15 135.00 137.88 2yu7 s PRO 110 Ca 0.10 -0.32 -0.38 0.00 0.04 0.00 0.00 61.00 60.44 2yu7 s PRO 110 Cb -0.22 -5.07 -0.16 0.00 0.04 0.00 0.00 34.50 29.09 2yu7 s PRO 110 CO -0.03 -3.40 1.50 0.98 0.04 0.00 0.00 177.00 176.10 2yu7 n TYR 111 N 13.99 1.72 -0.09 0.56 9.36 -0.19 -4.57 117.16 137.93 2yu7 n TYR 111 Ca 0.40 0.61 -0.13 0.00 3.32 0.00 0.00 57.90 62.10 2yu7 n TYR 111 Cb 0.47 -2.38 -0.05 0.00 -0.63 0.00 0.00 39.34 36.75 2yu7 n TYR 111 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2yu7 n TYR 112 N 3.68 0.73 -3.99 2.98 4.01 -1.26 -4.27 117.16 119.04 2yu7 n TYR 112 Ca 0.22 0.32 -0.10 0.00 -0.16 0.00 0.00 57.90 58.18 2yu7 n TYR 112 Cb 0.16 -0.85 -0.04 0.00 -0.31 0.00 0.00 39.34 38.30 2yu7 n TYR 112 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2yu7 s SER 113 N -6.25 0.09 -0.18 7.72 0.01 -1.26 -4.64 113.70 109.19 2yu7 s SER 113 Ca -0.23 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2yu7 s SER 113 Cb 0.05 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.96 2yu7 s SER 113 CO 0.38 -1.24 -0.08 -0.83 0.41 0.00 0.00 173.24 171.88 2yu7 s GLY 114 N -3.06 1.10 -0.34 3.44 0.00 -1.26 -5.06 107.32 102.14 2yu7 s GLY 114 Ca 0.22 -0.99 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 2yu7 s GLY 114 CO 0.11 0.82 1.69 2.56 0.00 0.00 0.00 173.10 178.28 2yu7 s PRO 115 N 1.53 3.44 -0.20 2.90 0.04 -1.26 -4.86 135.00 136.58 2yu7 s PRO 115 Ca 0.00 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.25 2yu7 s PRO 115 Cb -0.16 -4.14 -0.20 0.00 0.04 0.00 0.00 34.50 30.05 2yu7 s PRO 115 CO -0.08 -1.73 0.09 0.43 0.04 0.00 0.00 177.00 175.75 2yu7 n SER 116 N 9.74 1.97 -4.77 6.66 7.64 -1.26 -4.93 113.62 128.67 2yu7 n SER 116 Ca 0.21 0.27 -0.38 0.00 1.01 0.00 0.00 58.87 59.98 2yu7 n SER 116 Cb 0.47 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 2yu7 n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu7 s SER 117 N -6.99 6.92 0.00 6.43 0.15 -1.26 -5.25 113.70 113.70 2yu7 s SER 117 Ca -0.30 2.13 0.24 0.00 0.70 0.00 0.00 55.95 58.72 2yu7 s SER 117 Cb 0.08 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.98 2yu7 s SER 117 CO 0.63 -0.38 1.25 0.61 1.20 0.00 0.00 173.24 176.55