#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 4.37 -0.05 1.61 1.04 -1.26 -5.08 113.70 114.33 2yu7 s SER 2 Ca 0.00 -2.95 -0.30 0.00 0.48 0.00 0.00 55.95 53.18 2yu7 s SER 2 Cb 0.00 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 2yu7 s SER 2 CO 0.00 -0.25 1.36 -0.55 0.98 0.00 0.00 173.24 174.78 2yu7 s SER 3 N -0.18 6.89 -0.19 7.02 0.15 -1.26 -4.99 113.70 121.14 2yu7 s SER 3 Ca 0.17 1.98 -0.28 0.00 0.70 0.00 0.00 55.95 58.52 2yu7 s SER 3 Cb -0.25 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.60 2yu7 s SER 3 CO -0.01 -0.72 0.86 -0.83 1.20 0.00 0.00 173.24 173.74 2yu7 s GLY 4 N 1.97 -0.38 -0.01 9.45 0.00 -1.26 -5.13 107.32 111.95 2yu7 s GLY 4 Ca 0.61 2.02 -0.35 0.00 0.00 0.00 0.00 44.72 47.01 2yu7 s GLY 4 CO 0.23 1.40 1.75 -1.26 0.00 0.00 0.00 173.10 175.22 2yu7 n SER 5 N 1.65 3.17 -2.32 1.64 2.88 -1.26 -4.88 113.62 114.50 2yu7 n SER 5 Ca -0.14 1.02 -0.30 0.00 -1.33 0.00 0.00 58.87 58.12 2yu7 n SER 5 Cb 0.56 -1.36 0.04 0.00 -0.75 0.00 0.00 64.21 62.70 2yu7 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yu7 n SER 6 N 5.29 6.16 -1.27 -3.46 7.64 -1.26 -5.06 113.62 121.66 2yu7 n SER 6 Ca 0.21 -3.77 0.15 0.00 1.01 0.00 0.00 58.87 56.47 2yu7 n SER 6 Cb 0.28 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.72 -3.28 0.14 0.23 0.00 -1.26 -4.54 105.19 95.76 2yu7 n GLY 7 Ca 0.51 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.25 0.32 -0.12 1.61 5.08 -1.77 -3.28 115.95 116.54 2yu7 h TRP 8 Ca -0.17 0.01 -0.62 0.00 1.08 0.00 0.00 58.89 59.18 2yu7 h TRP 8 Cb 1.22 -0.10 -0.03 0.00 -3.00 0.00 0.00 29.16 27.25 2yu7 h TRP 8 CO 0.04 0.19 0.97 0.98 -1.28 0.00 0.00 178.44 179.35 2yu7 n TYR 9 N -4.92 0.99 -0.09 0.12 9.36 -1.26 -4.26 117.16 117.09 2yu7 n TYR 9 Ca -0.01 0.66 -0.15 0.00 3.32 0.00 0.00 57.90 61.72 2yu7 n TYR 9 Cb 0.05 -1.81 -0.07 0.00 -0.63 0.00 0.00 39.34 36.88 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 5.54 0.76 0.00 2.98 8.25 -0.42 -4.52 115.22 127.81 2yu7 n HIS 10 Ca 0.41 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 2yu7 n HIS 10 Cb -0.03 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.18 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 1.49 0.07 3.70 -1.41 0.00 -1.20 -4.94 105.19 102.90 2yu7 n GLY 11 Ca -0.23 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.31 2.56 -0.26 1.61 2.46 -1.26 -0.02 115.29 120.07 2yu7 s HIS 12 Ca 0.00 0.24 -0.27 0.00 0.47 0.00 0.00 55.06 55.51 2yu7 s HIS 12 Cb 0.00 -4.09 0.15 0.00 -0.13 0.00 0.00 32.58 28.51 2yu7 s HIS 12 CO 0.00 -4.31 1.20 1.41 -2.47 0.00 0.00 174.74 170.57 2yu7 s MET 13 N 2.01 0.32 0.12 2.88 0.00 -1.26 -4.86 119.30 118.51 2yu7 s MET 13 Ca 0.76 0.25 0.05 0.00 0.00 0.00 0.00 55.69 56.75 2yu7 s MET 13 Cb -0.46 0.15 -0.04 0.00 0.00 0.00 0.00 34.83 34.49 2yu7 s MET 13 CO 0.34 -0.06 0.05 -1.54 0.00 0.00 0.00 175.02 173.80 2yu7 s SER 14 N -0.31 5.21 0.35 1.11 1.04 -1.26 -4.61 113.70 115.23 2yu7 s SER 14 Ca 0.04 -0.17 0.13 0.00 0.48 0.00 0.00 55.95 56.44 2yu7 s SER 14 Cb -0.03 -1.29 1.11 0.00 0.10 0.00 0.00 66.02 65.91 2yu7 s SER 14 CO -0.08 0.13 1.58 1.23 0.98 0.00 0.00 173.24 177.08 2yu7 h GLY 15 N 3.00 1.88 1.01 7.32 0.00 -1.98 1.05 103.07 115.35 2yu7 h GLY 15 Ca -0.47 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 46.89 2yu7 h GLY 15 CO 0.62 -0.69 0.50 -1.33 0.00 0.00 0.00 176.54 175.64 2yu7 h GLY 16 N 0.01 1.04 1.81 4.60 0.00 -2.00 -0.85 103.07 107.67 2yu7 h GLY 16 Ca 0.75 -0.33 -0.23 0.00 0.00 0.00 0.00 47.33 47.52 2yu7 h GLY 16 CO -0.83 0.25 -1.13 -1.61 0.00 0.00 0.00 176.54 173.22 2yu7 h GLN 17 N 0.82 0.05 0.40 4.80 5.75 0.70 -3.24 115.11 124.39 2yu7 h GLN 17 Ca 0.33 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 2yu7 h GLN 17 Cb 0.23 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.82 2yu7 h GLN 17 CO -0.11 0.98 -0.19 0.00 -2.65 0.00 0.00 178.83 176.86 2yu7 h ALA 18 N 0.92 -0.81 -1.03 3.38 0.00 -0.30 0.18 119.26 121.60 2yu7 h ALA 18 Ca -0.07 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.02 2yu7 h ALA 18 Cb 1.83 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.70 2yu7 h ALA 18 CO 0.14 -0.77 0.61 0.93 0.00 0.00 0.00 179.25 180.16 2yu7 h GLU 19 N -0.74 0.39 0.43 0.00 5.08 -1.36 0.77 114.58 119.16 2yu7 h GLU 19 Ca -0.06 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2yu7 h GLU 19 Cb 0.41 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2yu7 h GLU 19 CO 0.09 0.26 -0.21 1.15 -1.00 0.00 0.00 179.01 179.30 2yu7 h THR 20 N 0.40 0.00 -0.19 1.13 2.02 -1.57 -2.56 112.91 112.15 2yu7 h THR 20 Ca 0.69 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 67.51 2yu7 h THR 20 Cb 1.57 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 2yu7 h THR 20 CO -0.51 0.00 -0.55 -0.07 0.37 0.00 0.00 175.52 174.77 2yu7 h LEU 21 N -0.98 -1.75 -0.10 2.58 3.38 -0.19 0.24 115.31 118.50 2yu7 h LEU 21 Ca -0.06 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2yu7 h LEU 21 Cb 0.44 0.69 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2yu7 h LEU 21 CO 0.10 -0.47 -0.17 -0.07 0.09 0.00 0.00 178.44 177.92 2yu7 h LEU 22 N -0.54 -0.55 -1.99 1.67 3.38 -1.00 0.18 115.31 116.44 2yu7 h LEU 22 Ca 0.04 0.07 0.30 0.00 0.09 0.00 0.00 57.88 58.38 2yu7 h LEU 22 Cb 0.66 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2yu7 h LEU 22 CO -0.47 -0.13 0.75 1.56 0.09 0.00 0.00 178.44 180.25 2yu7 h GLN 23 N -0.14 0.00 -0.44 1.13 4.20 -1.23 0.19 115.11 118.82 2yu7 h GLN 23 Ca 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2yu7 h GLN 23 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2yu7 h GLN 23 CO -0.16 0.00 0.13 0.00 -0.67 0.00 0.00 178.83 178.13 2yu7 h ALA 24 N 1.47 0.58 -0.29 3.87 0.00 0.24 -3.08 119.26 122.05 2yu7 h ALA 24 Ca 0.49 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2yu7 h ALA 24 Cb 2.00 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2yu7 h ALA 24 CO -0.01 0.24 -0.14 -0.22 0.00 0.00 0.00 179.25 179.13 2yu7 h LYS 25 N 0.58 -0.09 0.00 0.00 3.11 0.45 -3.46 116.57 117.16 2yu7 h LYS 25 Ca 0.14 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 2yu7 h LYS 25 Cb 0.28 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2yu7 h LYS 25 CO -0.00 -0.06 0.00 0.41 -2.81 0.00 0.00 179.45 176.98 2yu7 n GLY 26 N -1.31 0.72 3.54 5.01 0.00 -1.17 -5.05 105.19 106.92 2yu7 n GLY 26 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 3.83 0.80 1.61 0.41 -1.26 -5.09 118.70 118.31 2yu7 s GLU 27 Ca 0.00 -0.39 -0.11 0.00 -0.41 0.00 0.00 54.97 54.07 2yu7 s GLU 27 Cb 0.00 -3.46 0.07 0.00 -1.78 0.00 0.00 34.13 28.96 2yu7 s GLU 27 CO 0.00 -0.12 1.09 -1.25 -0.49 0.00 0.00 175.26 174.49 2yu7 s PRO 28 N 1.50 2.05 -1.56 0.39 0.04 -1.26 -3.66 135.00 132.51 2yu7 s PRO 28 Ca 0.06 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.17 2yu7 s PRO 28 Cb -0.15 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2yu7 s PRO 28 CO 0.06 -1.77 0.45 0.91 0.04 0.00 0.00 177.00 176.70 2yu7 n TRP 29 N -3.60 -1.75 -3.50 0.56 5.03 0.50 -4.73 117.44 109.95 2yu7 n TRP 29 Ca 0.09 0.39 -0.40 0.00 3.03 0.00 0.00 57.50 60.61 2yu7 n TRP 29 Cb 0.53 -4.18 -0.10 0.00 -1.03 0.00 0.00 31.31 26.53 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 -3.11 5.26 0.10 -0.99 2.01 -1.12 -1.93 115.64 115.86 2yu7 s THR 30 Ca 0.24 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.20 2yu7 s THR 30 Cb -0.11 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2yu7 s THR 30 CO 0.30 0.01 0.10 0.72 -0.69 0.00 0.00 174.62 175.06 2yu7 s PHE 31 N 1.81 3.20 -0.14 4.92 -0.71 -0.96 0.10 117.98 126.20 2yu7 s PHE 31 Ca 0.08 0.07 -0.07 0.00 -1.04 0.00 0.00 56.93 55.96 2yu7 s PHE 31 Cb -0.17 -1.60 0.05 0.00 -1.21 0.00 0.00 43.02 40.09 2yu7 s PHE 31 CO 0.11 0.52 0.33 -0.48 -1.34 0.00 0.00 175.22 174.36 2yu7 s LEU 32 N -2.56 0.19 -0.03 -1.99 0.05 0.97 -1.24 118.68 114.08 2yu7 s LEU 32 Ca 0.30 0.70 -0.14 0.00 0.05 0.00 0.00 54.13 55.04 2yu7 s LEU 32 Cb -0.12 1.04 -0.05 0.00 -2.05 0.00 0.00 46.19 45.01 2yu7 s LEU 32 CO 0.23 -0.18 0.38 -0.69 -0.55 0.00 0.00 176.35 175.54 2yu7 s VAL 33 N 1.27 5.11 0.12 1.48 1.01 -1.26 -2.41 120.40 125.72 2yu7 s VAL 33 Ca -0.09 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 2yu7 s VAL 33 Cb -0.09 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2yu7 s VAL 33 CO -0.10 0.55 0.27 0.00 0.00 0.00 0.00 175.10 175.82 2yu7 s ARG 34 N -0.82 0.99 0.53 2.72 1.70 -1.17 -1.30 118.95 121.59 2yu7 s ARG 34 Ca 0.22 -0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 54.32 2yu7 s ARG 34 Cb -0.16 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 2yu7 s ARG 34 CO 0.11 -0.35 1.09 -1.21 -1.08 0.00 0.00 175.30 173.87 2yu7 s GLU 35 N -3.88 3.48 1.16 3.89 8.01 0.97 -1.48 118.70 130.86 2yu7 s GLU 35 Ca 0.08 1.50 -0.20 0.00 0.01 0.00 0.00 54.97 56.37 2yu7 s GLU 35 Cb 0.04 -2.03 0.29 0.00 -4.31 0.00 0.00 34.13 28.11 2yu7 s GLU 35 CO -0.08 -0.72 1.07 0.43 0.01 0.00 0.00 175.26 175.97 2yu7 n SER 36 N -1.26 -1.88 0.00 -0.19 7.64 -1.01 -4.25 113.62 112.67 2yu7 n SER 36 Ca 0.11 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.82 2yu7 n SER 36 Cb 0.52 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2yu7 n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2yu7 n LEU 37 N 0.00 0.08 0.03 -3.43 7.99 -1.26 -4.85 117.00 115.56 2yu7 n LEU 37 Ca 0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 56.09 2yu7 n LEU 37 Cb 0.56 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.76 2yu7 n LEU 37 CO 0.39 -0.20 -0.19 0.28 -1.51 0.00 0.00 177.39 176.16 2yu7 h SER 38 N 0.00 0.00 -3.48 -1.43 0.02 -2.00 -3.44 113.55 103.22 2yu7 h SER 38 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2yu7 h SER 38 Cb 0.54 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.82 2yu7 h SER 38 CO 0.00 0.91 -0.69 -1.10 -1.14 0.00 0.00 176.83 174.81 2yu7 s GLN 39 N -2.70 3.47 0.04 3.45 -0.21 -1.26 -5.08 119.66 117.37 2yu7 s GLN 39 Ca -0.02 -0.57 -0.31 0.00 0.02 0.00 0.00 55.36 54.48 2yu7 s GLN 39 Cb 0.09 -3.11 -0.06 0.00 1.00 0.00 0.00 33.01 30.92 2yu7 s GLN 39 CO 0.82 -0.19 1.41 -1.25 -2.12 0.00 0.00 175.29 173.96 2yu7 s PRO 40 N 1.50 4.29 0.00 2.91 0.04 -1.26 -3.32 135.00 139.16 2yu7 s PRO 40 Ca 0.06 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2yu7 s PRO 40 Cb -0.15 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2yu7 s PRO 40 CO -0.01 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.90 2yu7 n GLY 41 N 3.62 2.34 1.80 0.56 0.00 -1.26 -5.01 105.19 107.23 2yu7 n GLY 41 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2yu7 n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yu7 n ASP 42 N 1.96 -2.40 -3.72 1.61 9.92 -1.21 -4.76 116.55 117.95 2yu7 n ASP 42 Ca 0.00 -0.30 -0.10 0.00 -0.53 0.00 0.00 54.79 53.86 2yu7 n ASP 42 Cb 0.00 -0.47 -0.05 0.00 -0.64 0.00 0.00 41.12 39.96 2yu7 n ASP 42 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2yu7 s PHE 43 N -1.46 -0.06 -0.15 1.24 0.40 -1.11 -2.40 117.98 114.45 2yu7 s PHE 43 Ca 0.23 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2yu7 s PHE 43 Cb -0.04 0.16 -0.00 0.00 0.51 0.00 0.00 43.02 43.64 2yu7 s PHE 43 CO 0.19 -0.67 -0.15 0.08 0.70 0.00 0.00 175.22 175.37 2yu7 s VAL 44 N -3.83 2.66 -0.42 -0.44 1.01 -0.55 -0.57 120.40 118.26 2yu7 s VAL 44 Ca 0.05 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2yu7 s VAL 44 Cb 0.03 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2yu7 s VAL 44 CO -0.11 0.52 0.50 -0.22 0.00 0.00 0.00 175.10 175.79 2yu7 s LEU 45 N 0.79 4.75 -0.17 3.92 1.98 -0.72 -3.06 118.68 126.17 2yu7 s LEU 45 Ca -0.06 -0.57 -0.05 0.00 -2.89 0.00 0.00 54.13 50.57 2yu7 s LEU 45 Cb -0.15 -2.49 -0.03 0.00 0.66 0.00 0.00 46.19 44.18 2yu7 s LEU 45 CO 0.00 -0.64 -0.01 -0.44 -1.89 0.00 0.00 176.35 173.38 2yu7 s SER 46 N 1.86 5.00 0.01 3.68 0.01 -1.01 -0.33 113.70 122.92 2yu7 s SER 46 Ca 0.15 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2yu7 s SER 46 Cb -0.16 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2yu7 s SER 46 CO 0.15 0.15 -0.09 -0.69 0.41 0.00 0.00 173.24 173.17 2yu7 s VAL 47 N 0.48 0.72 -0.21 3.43 1.01 -0.73 -0.02 120.40 125.07 2yu7 s VAL 47 Ca -0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 2yu7 s VAL 47 Cb -0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2yu7 s VAL 47 CO 0.02 0.03 0.23 -0.22 0.00 0.00 0.00 175.10 175.16 2yu7 s LEU 48 N -0.68 4.16 0.81 3.92 2.96 0.11 -1.13 118.68 128.84 2yu7 s LEU 48 Ca 0.00 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 2yu7 s LEU 48 Cb -0.05 -2.24 0.11 0.00 0.50 0.00 0.00 46.19 44.51 2yu7 s LEU 48 CO 0.00 0.06 1.16 -0.94 -1.32 0.00 0.00 176.35 175.31 2yu7 s SER 49 N 0.84 4.21 -0.48 3.68 1.04 -0.28 0.19 113.70 122.90 2yu7 s SER 49 Ca 0.12 0.47 0.03 0.00 0.48 0.00 0.00 55.95 57.04 2yu7 s SER 49 Cb -0.13 -0.87 0.59 0.00 0.10 0.00 0.00 66.02 65.70 2yu7 s SER 49 CO 0.04 -2.04 1.87 -0.67 0.98 0.00 0.00 173.24 173.42 2yu7 n ASP 50 N -3.29 4.61 -3.76 7.02 2.03 -1.26 -4.23 116.55 117.67 2yu7 n ASP 50 Ca 0.10 -3.68 -0.13 0.00 0.52 0.00 0.00 54.79 51.60 2yu7 n ASP 50 Cb 0.60 -0.83 -0.14 0.00 -0.72 0.00 0.00 41.12 40.03 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 -3.44 0.10 0.41 -0.67 -1.52 -1.26 -5.07 119.66 108.21 2yu7 s GLN 51 Ca 0.57 0.35 -0.25 0.00 -1.95 0.00 0.00 55.36 54.08 2yu7 s GLN 51 Cb 0.48 -0.14 -0.08 0.00 -0.22 0.00 0.00 33.01 33.04 2yu7 s GLN 51 CO 0.06 -0.14 1.19 -1.25 -0.25 0.00 0.00 175.29 174.90 2yu7 s PRO 52 N 1.01 4.01 0.25 2.91 0.04 -1.26 -1.21 135.00 140.75 2yu7 s PRO 52 Ca -0.08 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.87 2yu7 s PRO 52 Cb -0.10 -2.66 0.31 0.00 0.04 0.00 0.00 34.50 32.10 2yu7 s PRO 52 CO -0.05 -0.37 1.62 1.57 0.04 0.00 0.00 177.00 179.81 2yu7 h LYS 53 N 2.58 0.34 -5.74 4.56 2.10 -1.80 -3.44 116.57 115.17 2yu7 h LYS 53 Ca -0.49 -0.19 -0.61 0.00 -2.00 0.00 0.00 60.65 57.37 2yu7 h LYS 53 Cb 1.24 0.01 -0.07 0.00 -0.90 0.00 0.00 32.23 32.51 2yu7 h LYS 53 CO 0.62 0.75 -0.36 0.00 -2.00 0.00 0.00 179.45 178.46 2yu7 s ALA 54 N -4.05 4.32 -0.05 0.07 0.00 -1.26 -5.06 121.76 115.74 2yu7 s ALA 54 Ca -0.05 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 2yu7 s ALA 54 Cb 0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.64 2yu7 s ALA 54 CO 0.80 -0.33 0.56 0.78 0.00 0.00 0.00 175.76 177.57 2yu7 h GLY 55 N 0.93 -0.47 -0.02 0.00 0.00 -1.99 -3.44 103.07 98.08 2yu7 h GLY 55 Ca -0.39 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2yu7 h GLY 55 CO 0.62 -0.17 0.00 -1.55 0.00 0.00 0.00 176.54 175.44 2yu7 n PRO 56 N -5.08 -1.07 -1.54 4.80 -0.04 -1.26 -4.76 135.00 126.06 2yu7 n PRO 56 Ca -0.06 -0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.15 2yu7 n PRO 56 Cb 0.19 -0.03 -0.11 0.00 -0.04 0.00 0.00 33.50 33.52 2yu7 n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yu7 n GLY 57 N 2.30 -0.19 3.25 0.55 0.00 -1.26 -4.88 105.19 104.96 2yu7 n GLY 57 Ca 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 8.58 2.11 0.26 1.61 1.04 -1.26 -5.06 113.70 120.98 2yu7 s SER 58 Ca 1.07 -0.80 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 2yu7 s SER 58 Cb -0.41 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.53 2yu7 s SER 58 CO 0.27 -0.11 1.26 -2.16 0.98 0.00 0.00 173.24 173.47 2yu7 s PRO 59 N -2.60 4.43 0.27 4.02 0.04 -1.26 -4.63 135.00 135.27 2yu7 s PRO 59 Ca 0.09 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2yu7 s PRO 59 Cb -0.06 -3.15 -0.14 0.00 0.04 0.00 0.00 34.50 31.19 2yu7 s PRO 59 CO 0.04 -0.13 1.24 1.28 0.04 0.00 0.00 177.00 179.46 2yu7 n LEU 60 N 1.75 2.64 -4.77 -3.56 4.77 -1.26 -3.03 117.00 113.53 2yu7 n LEU 60 Ca 0.03 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.77 2yu7 n LEU 60 Cb 0.43 -1.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.16 2yu7 n LEU 60 CO 0.57 -0.84 1.09 -0.60 -1.33 0.00 0.00 177.39 176.29 2yu7 s ARG 61 N -1.04 3.84 0.27 3.23 3.52 -0.35 -4.68 118.95 123.74 2yu7 s ARG 61 Ca 0.63 2.48 0.07 0.00 -0.13 0.00 0.00 55.73 58.78 2yu7 s ARG 61 Cb -0.67 -2.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 2yu7 s ARG 61 CO 0.56 -0.71 0.22 0.08 -0.81 0.00 0.00 175.30 174.63 2yu7 s VAL 62 N -1.17 4.26 -0.07 7.11 1.01 -1.26 -1.12 120.40 129.15 2yu7 s VAL 62 Ca 0.58 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2yu7 s VAL 62 Cb -0.45 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2yu7 s VAL 62 CO 0.59 -0.31 -0.00 -0.89 0.00 0.00 0.00 175.10 174.48 2yu7 s THR 63 N -2.17 0.41 -0.25 3.92 2.01 -0.28 -4.95 115.64 114.33 2yu7 s THR 63 Ca 0.35 0.09 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 2yu7 s THR 63 Cb -0.07 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2yu7 s THR 63 CO 0.25 0.26 0.11 -1.00 -0.69 0.00 0.00 174.62 173.56 2yu7 s HIS 64 N 1.92 3.16 -0.29 4.92 3.76 -1.26 -1.78 115.29 125.72 2yu7 s HIS 64 Ca 0.04 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 2yu7 s HIS 64 Cb -0.12 -2.25 0.07 0.00 1.11 0.00 0.00 32.58 31.38 2yu7 s HIS 64 CO -0.05 -0.19 -0.03 0.42 -0.85 0.00 0.00 174.74 174.03 2yu7 s ILE 65 N 1.42 2.46 -0.16 0.60 1.01 0.55 -4.93 121.20 122.15 2yu7 s ILE 65 Ca 0.06 -1.73 -0.32 0.00 0.00 0.00 0.00 60.65 58.66 2yu7 s ILE 65 Cb -0.15 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 2yu7 s ILE 65 CO 0.05 -0.20 2.06 0.29 0.00 0.00 0.00 174.94 177.15 2yu7 n LYS 66 N 4.46 2.00 -3.13 2.79 5.02 -1.26 -1.75 118.16 126.29 2yu7 n LYS 66 Ca -0.10 0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 56.42 2yu7 n LYS 66 Cb 0.42 -2.85 -0.07 0.00 -0.02 0.00 0.00 35.03 32.51 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 6.11 4.85 -0.07 -0.18 1.01 0.27 -4.74 120.40 127.65 2yu7 s VAL 67 Ca 0.98 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2yu7 s VAL 67 Cb -0.57 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 2yu7 s VAL 67 CO 0.45 -0.59 1.12 -0.04 0.00 0.00 0.00 175.10 176.03 2yu7 s MET 68 N 2.75 4.39 -0.19 2.72 -1.94 0.48 -2.73 119.30 124.78 2yu7 s MET 68 Ca 0.21 1.56 0.00 0.00 -1.71 0.00 0.00 55.69 55.75 2yu7 s MET 68 Cb -0.15 -3.54 0.02 0.00 2.01 0.00 0.00 34.83 33.17 2yu7 s MET 68 CO 0.18 -0.37 -0.18 0.00 -0.01 0.00 0.00 175.02 174.64 2yu7 s GLU 70 N 1.31 1.77 2.03 0.00 0.41 -1.18 -4.79 118.70 118.25 2yu7 s GLU 70 Ca 0.05 -2.04 0.00 0.00 -0.41 0.00 0.00 54.97 52.57 2yu7 s GLU 70 Cb -0.13 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 2yu7 s GLU 70 CO -0.12 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.04 2yu7 n GLY 71 N 4.08 2.04 0.65 -1.39 0.00 -1.26 -3.36 105.19 105.95 2yu7 n GLY 71 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 1.75 3.63 -0.02 0.00 -1.26 -5.09 105.19 104.19 2yu7 n GLY 72 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.76 2.09 0.01 1.61 3.00 -1.21 -4.51 118.95 119.18 2yu7 s ARG 73 Ca 0.16 -2.32 -0.03 0.00 0.00 0.00 0.00 55.73 53.54 2yu7 s ARG 73 Cb 0.16 -0.91 -0.01 0.00 0.00 0.00 0.00 34.95 34.20 2yu7 s ARG 73 CO -0.04 -0.50 0.04 0.71 0.00 0.00 0.00 175.30 175.51 2yu7 s TYR 74 N -3.07 0.13 0.18 -0.53 2.02 -0.67 -3.08 117.35 112.34 2yu7 s TYR 74 Ca 0.14 -0.28 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 2yu7 s TYR 74 Cb 0.01 -0.11 0.01 0.00 -0.40 0.00 0.00 41.96 41.48 2yu7 s TYR 74 CO 0.10 -0.19 0.43 -0.08 -1.57 0.00 0.00 175.55 174.24 2yu7 s THR 75 N -1.17 0.04 -0.22 -0.71 -1.32 0.13 -0.04 115.64 112.34 2yu7 s THR 75 Ca -0.13 -1.00 -0.04 0.00 -1.21 0.00 0.00 61.69 59.32 2yu7 s THR 75 Cb -0.08 -1.66 0.12 0.00 -1.51 0.00 0.00 72.50 69.37 2yu7 s THR 75 CO 0.00 -0.19 0.37 0.68 -2.21 0.00 0.00 174.62 173.27 2yu7 s VAL 76 N -3.91 -0.59 0.00 5.08 -7.23 -1.26 -0.39 120.40 112.10 2yu7 s VAL 76 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2yu7 s VAL 76 Cb 0.01 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.19 2yu7 s VAL 76 CO -0.02 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 2yu7 n GLY 77 N 5.37 1.15 1.31 2.32 0.00 -1.26 -4.85 105.19 109.23 2yu7 n GLY 77 Ca -0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 1.90 0.09 -0.02 0.00 -1.26 -5.03 105.19 100.87 2yu7 n GLY 78 Ca 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 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 -6.25 0.99 8.10 -1.99 -3.47 115.31 112.69 2yu7 h LEU 79 Ca -0.09 0.00 -0.39 0.00 0.11 0.00 0.00 57.88 57.50 2yu7 h LEU 79 Cb 0.42 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.57 2yu7 h LEU 79 CO 0.13 0.78 1.37 -0.62 -4.11 0.00 0.00 178.44 175.99 2yu7 n GLU 80 N -3.08 0.00 -3.35 0.17 -0.58 -1.26 -4.82 120.64 107.72 2yu7 n GLU 80 Ca -0.08 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.21 2yu7 n GLU 80 Cb 0.91 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.54 2yu7 n GLU 80 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2yu7 s THR 81 N 7.00 5.20 0.58 2.62 -4.23 -1.26 -4.23 115.64 121.33 2yu7 s THR 81 Ca 1.06 -1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.07 2yu7 s THR 81 Cb -0.99 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 68.57 2yu7 s THR 81 CO 0.39 -0.75 1.10 -0.36 -0.54 0.00 0.00 174.62 174.46 2yu7 s PHE 82 N 1.61 2.73 0.21 3.99 0.40 0.94 -4.69 117.98 123.17 2yu7 s PHE 82 Ca 0.03 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 57.82 2yu7 s PHE 82 Cb -0.28 -3.19 0.25 0.00 0.51 0.00 0.00 43.02 40.32 2yu7 s PHE 82 CO 0.04 -1.47 1.80 0.38 0.70 0.00 0.00 175.22 176.67 2yu7 h ASP 83 N 0.77 0.52 -5.05 1.36 3.04 -1.88 -1.78 116.42 113.39 2yu7 h ASP 83 Ca -0.49 0.04 -0.04 0.00 -3.24 0.00 0.00 57.03 53.30 2yu7 h ASP 83 Cb 1.25 -0.06 -0.12 0.00 -1.04 0.00 0.00 39.33 39.35 2yu7 h ASP 83 CO 0.56 0.33 0.03 -0.44 -2.04 0.00 0.00 179.24 177.68 2yu7 s SER 84 N -5.57 -0.34 0.51 4.15 0.01 -1.26 -4.25 113.70 106.96 2yu7 s SER 84 Ca -0.13 -0.24 0.29 0.00 1.31 0.00 0.00 55.95 57.19 2yu7 s SER 84 Cb 0.16 0.53 1.42 0.00 0.21 0.00 0.00 66.02 68.33 2yu7 s SER 84 CO 0.76 -0.92 1.87 -0.07 0.41 0.00 0.00 173.24 175.29 2yu7 h LEU 85 N 2.23 0.08 -0.91 2.44 3.38 -1.94 0.14 115.31 120.74 2yu7 h LEU 85 Ca -0.33 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.70 2yu7 h LEU 85 Cb 1.27 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2yu7 h LEU 85 CO 0.43 0.03 0.58 0.74 0.09 0.00 0.00 178.44 180.30 2yu7 h THR 86 N 0.08 1.08 0.00 0.22 2.02 -1.99 0.11 112.91 114.44 2yu7 h THR 86 Ca 0.46 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2yu7 h THR 86 Cb 1.68 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2yu7 h THR 86 CO -0.05 0.20 -0.00 -0.78 0.37 0.00 0.00 175.52 175.26 2yu7 h ASP 87 N 1.07 -0.00 -1.00 4.18 3.58 -1.16 -2.23 116.42 120.86 2yu7 h ASP 87 Ca 0.38 -0.82 0.23 0.00 0.42 0.00 0.00 57.03 57.24 2yu7 h ASP 87 Cb 0.12 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.08 2yu7 h ASP 87 CO -0.16 0.90 0.63 0.25 -2.88 0.00 0.00 179.24 177.99 2yu7 h LEU 88 N -0.99 0.58 0.11 2.28 6.46 -1.27 0.14 115.31 122.61 2yu7 h LEU 88 Ca -0.00 0.09 -0.23 0.00 -0.12 0.00 0.00 57.88 57.61 2yu7 h LEU 88 Cb 0.82 -0.01 0.02 0.00 -0.73 0.00 0.00 40.66 40.76 2yu7 h LEU 88 CO 0.00 0.17 -0.98 0.58 -0.62 0.00 0.00 178.44 177.58 2yu7 h VAL 89 N 0.54 1.39 0.00 1.05 2.07 -1.07 -3.17 116.25 117.05 2yu7 h VAL 89 Ca 0.57 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.67 2yu7 h VAL 89 Cb 1.21 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.83 2yu7 h VAL 89 CO -0.32 0.71 -0.05 -0.33 0.02 0.00 0.00 177.57 177.60 2yu7 h GLU 90 N -0.02 0.00 -0.06 1.57 5.08 -0.48 0.35 114.58 121.02 2yu7 h GLU 90 Ca -0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.01 2yu7 h GLU 90 Cb 1.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 2yu7 h GLU 90 CO 0.19 0.05 -0.77 1.25 -1.00 0.00 0.00 179.01 178.72 2yu7 h HIS 91 N 0.00 0.57 0.00 4.33 2.76 -0.83 -3.22 115.15 118.76 2yu7 h HIS 91 Ca -0.00 -0.27 -0.16 0.00 -2.20 0.00 0.00 60.37 57.75 2yu7 h HIS 91 Cb 0.10 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 2yu7 h HIS 91 CO 0.00 1.04 -1.12 0.74 -1.30 0.00 0.00 177.93 177.29 2yu7 h PHE 92 N 0.27 0.00 0.00 5.26 0.04 -1.29 -2.91 116.94 118.32 2yu7 h PHE 92 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 2yu7 h PHE 92 Cb 1.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 2yu7 h PHE 92 CO 0.05 0.60 -0.01 0.87 -0.60 0.00 0.00 178.31 179.22 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 -0.36 1.83 116.57 121.13 2yu7 h LYS 93 Ca -0.11 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.35 2yu7 h LYS 93 Cb 1.55 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.81 2yu7 h LYS 93 CO 0.06 0.01 -2.22 0.36 -0.57 0.00 0.00 179.45 177.09 2yu7 n LYS 94 N -3.15 0.54 -0.12 3.15 2.85 -1.23 -4.69 118.16 115.51 2yu7 n LYS 94 Ca -0.02 0.12 -0.26 0.00 -1.05 0.00 0.00 58.31 57.10 2yu7 n LYS 94 Cb 0.14 -1.43 -0.11 0.00 -0.65 0.00 0.00 35.03 32.98 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 -3.12 1.54 0.00 0.58 -2.24 -1.10 -5.12 114.28 104.81 2yu7 n THR 95 Ca -0.38 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2yu7 n THR 95 Cb 0.90 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 1.37 2.23 3.57 3.38 0.00 0.62 -5.02 105.19 111.35 2yu7 n GLY 96 Ca -0.44 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.23 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 -2.48 4.65 -0.22 -0.61 1.01 0.38 -4.78 121.20 119.15 2yu7 s ILE 97 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 2yu7 s ILE 97 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2yu7 s ILE 97 CO 0.00 0.41 0.11 -0.70 0.00 0.00 0.00 174.94 174.77 2yu7 s GLU 98 N 0.81 3.99 0.27 2.79 2.12 -1.26 -0.05 118.70 127.37 2yu7 s GLU 98 Ca 0.04 -0.32 -0.19 0.00 0.36 0.00 0.00 54.97 54.86 2yu7 s GLU 98 Cb -0.14 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 2yu7 s GLU 98 CO 0.02 0.12 0.76 -1.21 -0.54 0.00 0.00 175.26 174.41 2yu7 s GLU 99 N 0.85 4.22 0.52 4.30 2.02 0.46 -4.93 118.70 126.14 2yu7 s GLU 99 Ca 0.06 0.88 0.38 0.00 0.02 0.00 0.00 54.97 56.31 2yu7 s GLU 99 Cb -0.13 -2.71 1.54 0.00 0.10 0.00 0.00 34.13 32.93 2yu7 s GLU 99 CO 0.03 0.29 1.71 0.00 0.02 0.00 0.00 175.26 177.31 2yu7 h ALA 100 N 2.99 3.18 0.04 5.21 0.00 -1.98 0.63 119.26 129.33 2yu7 h ALA 100 Ca -0.48 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.14 2yu7 h ALA 100 Cb 1.19 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.12 2yu7 h ALA 100 CO 0.65 -1.63 -1.08 1.03 0.00 0.00 0.00 179.25 178.21 2yu7 h SER 101 N 0.05 0.89 0.00 0.00 0.87 -2.04 -3.48 113.55 109.84 2yu7 h SER 101 Ca 0.71 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2yu7 h SER 101 Cb 2.64 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 64.33 2yu7 h SER 101 CO -0.10 1.55 0.00 0.61 -0.53 0.00 0.00 176.83 178.36 2yu7 n GLY 102 N 1.18 1.50 3.41 5.77 0.00 0.22 -5.13 105.19 112.14 2yu7 n GLY 102 Ca -0.12 -0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.58 -3.94 4.61 0.00 -1.26 -4.38 120.51 112.95 2yu7 n ALA 103 Ca 0.00 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2yu7 n ALA 103 Cb 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.11 3.54 -0.05 0.00 0.40 -1.26 -0.40 117.98 119.10 2yu7 s PHE 104 Ca 0.63 -2.59 -0.24 0.00 -0.60 0.00 0.00 56.93 54.13 2yu7 s PHE 104 Cb -0.86 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.03 2yu7 s PHE 104 CO 0.57 -0.92 0.72 0.08 0.70 0.00 0.00 175.22 176.38 2yu7 s VAL 105 N 1.04 5.01 -0.10 -0.44 1.01 0.93 -4.90 120.40 122.95 2yu7 s VAL 105 Ca 0.03 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2yu7 s VAL 105 Cb -0.20 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2yu7 s VAL 105 CO -0.06 0.26 -0.19 -0.31 0.00 0.00 0.00 175.10 174.80 2yu7 s TYR 106 N 0.70 2.64 -0.33 5.22 2.02 -1.26 -0.47 117.35 125.87 2yu7 s TYR 106 Ca 0.38 -0.76 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 2yu7 s TYR 106 Cb -0.18 -1.73 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 2yu7 s TYR 106 CO 0.19 -0.25 0.09 -0.51 -1.57 0.00 0.00 175.55 173.50 2yu7 s LEU 107 N 0.15 4.25 0.00 -1.29 1.02 -1.26 -4.38 118.68 117.17 2yu7 s LEU 107 Ca -0.10 -1.15 0.00 0.00 0.02 0.00 0.00 54.13 52.89 2yu7 s LEU 107 Cb -0.16 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.21 2yu7 s LEU 107 CO 0.06 -0.31 0.00 0.54 0.02 0.00 0.00 176.35 176.66 2yu7 n ARG 108 N 4.78 2.28 -3.55 1.70 1.74 -0.81 -4.44 116.66 118.37 2yu7 n ARG 108 Ca -0.13 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.55 2yu7 n ARG 108 Cb 0.44 -0.80 -0.08 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.60 2.69 -0.90 5.56 -0.21 -1.04 -5.02 119.66 119.13 2yu7 s GLN 109 Ca 0.00 -2.06 -0.25 0.00 0.02 0.00 0.00 55.36 53.08 2yu7 s GLN 109 Cb 0.00 -3.97 -0.05 0.00 1.00 0.00 0.00 33.01 29.99 2yu7 s GLN 109 CO 0.00 -1.21 1.95 -1.25 -2.12 0.00 0.00 175.29 172.66 2yu7 s PRO 110 N 0.84 2.54 -0.42 2.91 0.04 -1.26 -2.27 135.00 137.38 2yu7 s PRO 110 Ca 0.10 -0.26 -0.36 0.00 0.04 0.00 0.00 61.00 60.52 2yu7 s PRO 110 Cb -0.22 -5.05 -0.13 0.00 0.04 0.00 0.00 34.50 29.14 2yu7 s PRO 110 CO -0.03 -3.38 2.22 0.98 0.04 0.00 0.00 177.00 176.83 2yu7 n TYR 111 N 14.02 1.46 -1.68 0.56 9.36 -0.37 -4.43 117.16 136.07 2yu7 n TYR 111 Ca 0.40 0.37 -0.31 0.00 3.32 0.00 0.00 57.90 61.68 2yu7 n TYR 111 Cb 0.47 -2.48 0.04 0.00 -0.63 0.00 0.00 39.34 36.73 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 7.36 3.29 0.21 2.98 1.51 -1.26 -4.36 117.35 127.09 2yu7 s TYR 112 Ca 1.12 1.35 -0.07 0.00 -1.01 0.00 0.00 57.07 58.47 2yu7 s TYR 112 Cb -0.97 -2.84 0.34 0.00 -0.11 0.00 0.00 41.96 38.38 2yu7 s TYR 112 CO 0.51 -1.06 1.22 0.43 -1.11 0.00 0.00 175.55 175.54 2yu7 n SER 113 N -3.00 -0.31 -0.36 2.29 7.64 -1.24 -4.88 113.62 113.76 2yu7 n SER 113 Ca 0.07 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.30 2yu7 n SER 113 Cb 0.54 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2yu7 n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu7 n GLY 114 N -1.48 -0.47 0.00 0.23 0.00 -1.26 -4.86 105.19 97.35 2yu7 n GLY 114 Ca 0.12 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 1.28 0.49 -0.07 1.61 -0.04 -1.26 -3.13 135.00 133.88 2yu7 n PRO 115 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2yu7 n PRO 115 Cb 0.00 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 2yu7 n PRO 115 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2yu7 h SER 116 N 0.00 0.00 -1.35 3.54 0.87 -1.99 -3.46 113.55 111.17 2yu7 h SER 116 Ca 0.00 -0.79 -0.76 0.00 -1.23 0.00 0.00 61.79 59.01 2yu7 h SER 116 Cb 0.00 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2yu7 h SER 116 CO 0.00 0.93 0.50 -0.24 -0.53 0.00 0.00 176.83 177.49 2yu7 n SER 117 N -4.63 1.31 0.00 6.23 2.88 -1.19 -5.31 113.62 112.92 2yu7 n SER 117 Ca -0.09 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2yu7 n SER 117 Cb 0.40 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2yu7 n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42