#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 7.06 -0.15 1.61 1.04 -1.26 -5.01 113.70 116.99 2yu7 s SER 2 Ca 0.00 1.87 -0.05 0.00 0.48 0.00 0.00 55.95 58.26 2yu7 s SER 2 Cb 0.00 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.63 2yu7 s SER 2 CO 0.00 -0.55 0.27 -0.55 0.98 0.00 0.00 173.24 173.38 2yu7 s SER 3 N 1.39 0.50 0.38 7.02 0.15 -1.26 -5.16 113.70 116.71 2yu7 s SER 3 Ca 0.57 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.75 2yu7 s SER 3 Cb -0.26 0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2yu7 s SER 3 CO 0.24 -0.26 0.15 -0.83 1.20 0.00 0.00 173.24 173.75 2yu7 s GLY 4 N 2.42 2.16 -0.01 9.45 0.00 -1.26 -5.06 107.32 115.01 2yu7 s GLY 4 Ca 0.03 -1.99 -0.33 0.00 0.00 0.00 0.00 44.72 42.43 2yu7 s GLY 4 CO -0.10 -1.85 1.85 -1.26 0.00 0.00 0.00 173.10 171.75 2yu7 n SER 5 N -1.18 3.60 -4.34 1.64 2.88 -1.26 -4.91 113.62 110.04 2yu7 n SER 5 Ca -0.02 0.98 -0.45 0.00 -1.33 0.00 0.00 58.87 58.05 2yu7 n SER 5 Cb 0.63 -1.42 -0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2yu7 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu7 s SER 6 N 3.57 7.30 0.45 -3.46 1.04 -1.26 -4.89 113.70 116.46 2yu7 s SER 6 Ca 0.89 -3.56 0.05 0.00 0.48 0.00 0.00 55.95 53.81 2yu7 s SER 6 Cb -0.62 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.24 2yu7 s SER 6 CO 0.47 -0.30 0.07 -0.83 0.98 0.00 0.00 173.24 173.62 2yu7 s GLY 7 N 1.37 2.62 0.00 7.32 0.00 -1.26 -5.03 107.32 112.34 2yu7 s GLY 7 Ca 0.30 -1.61 0.25 0.00 0.00 0.00 0.00 44.72 43.66 2yu7 s GLY 7 CO -0.08 -2.08 1.55 -2.67 0.00 0.00 0.00 173.10 169.82 2yu7 n TRP 8 N -1.17 0.12 -2.91 1.90 4.27 -1.26 -3.37 117.44 115.02 2yu7 n TRP 8 Ca -0.08 -0.06 -0.38 0.00 -3.89 0.00 0.00 57.50 53.08 2yu7 n TRP 8 Cb 0.66 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.55 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 -1.88 3.83 0.05 -2.67 5.04 -1.26 -3.13 117.35 117.33 2yu7 s TYR 9 Ca 0.34 1.68 -0.01 0.00 -2.44 0.00 0.00 57.07 56.64 2yu7 s TYR 9 Cb 0.20 -2.81 -0.00 0.00 0.35 0.00 0.00 41.96 39.69 2yu7 s TYR 9 CO 0.30 0.40 -0.02 0.72 -1.34 0.00 0.00 175.55 175.62 2yu7 n HIS 10 N 1.17 0.00 0.00 4.97 8.25 -0.95 -4.09 115.22 124.57 2yu7 n HIS 10 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2yu7 n HIS 10 Cb 0.49 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 3.35 0.19 3.42 -1.41 0.00 -1.26 -5.00 105.19 104.48 2yu7 n GLY 11 Ca -0.01 -1.86 -0.48 0.00 0.00 0.00 0.00 46.02 43.68 2yu7 n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2yu7 n HIS 12 N 0.00 0.98 -3.64 1.61 -0.00 -1.26 -2.55 115.22 110.37 2yu7 n HIS 12 Ca 0.00 0.46 -0.05 0.00 0.46 0.00 0.00 57.72 58.59 2yu7 n HIS 12 Cb 0.00 -2.40 -0.07 0.00 -0.12 0.00 0.00 29.99 27.40 2yu7 n HIS 12 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2yu7 s MET 13 N 7.60 0.56 0.28 1.57 0.00 -1.26 -4.97 119.30 123.08 2yu7 s MET 13 Ca 1.23 1.00 0.02 0.00 0.00 0.00 0.00 55.69 57.94 2yu7 s MET 13 Cb -1.17 0.16 -0.03 0.00 0.00 0.00 0.00 34.83 33.78 2yu7 s MET 13 CO 0.52 -0.12 0.45 -1.54 0.00 0.00 0.00 175.02 174.33 2yu7 s SER 14 N 1.60 6.32 0.31 1.11 1.04 -1.26 -4.58 113.70 118.25 2yu7 s SER 14 Ca -0.09 0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.74 2yu7 s SER 14 Cb -0.05 -1.98 0.88 0.00 0.10 0.00 0.00 66.02 64.98 2yu7 s SER 14 CO -0.18 -0.17 1.68 1.23 0.98 0.00 0.00 173.24 176.78 2yu7 h GLY 15 N 1.18 1.75 0.83 7.32 0.00 -1.99 0.21 103.07 112.37 2yu7 h GLY 15 Ca -0.50 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 46.68 2yu7 h GLY 15 CO 0.63 -0.37 0.58 -1.33 0.00 0.00 0.00 176.54 176.05 2yu7 h GLY 16 N 0.36 1.33 1.08 4.60 0.00 -2.00 -0.95 103.07 107.49 2yu7 h GLY 16 Ca 0.64 -0.44 -0.17 0.00 0.00 0.00 0.00 47.33 47.36 2yu7 h GLY 16 CO -0.58 0.35 -0.48 -1.61 0.00 0.00 0.00 176.54 174.23 2yu7 h GLN 17 N 1.10 0.81 0.95 4.80 5.75 -1.02 -2.95 115.11 124.55 2yu7 h GLN 17 Ca 0.37 -0.50 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 2yu7 h GLN 17 Cb 0.05 0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.67 2yu7 h GLN 17 CO -0.13 1.13 -0.46 0.00 -2.65 0.00 0.00 178.83 176.72 2yu7 h ALA 18 N 0.67 -1.28 -0.90 3.38 0.00 -0.83 0.11 119.26 120.42 2yu7 h ALA 18 Ca 0.02 -0.28 0.22 0.00 0.00 0.00 0.00 54.91 54.87 2yu7 h ALA 18 Cb 1.08 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 19.24 2yu7 h ALA 18 CO 0.11 -1.22 0.40 0.93 0.00 0.00 0.00 179.25 179.47 2yu7 h GLU 19 N -1.28 0.40 0.46 0.00 5.08 -1.28 0.28 114.58 118.24 2yu7 h GLU 19 Ca -0.13 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2yu7 h GLU 19 Cb 0.98 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2yu7 h GLU 19 CO 0.21 0.27 -0.22 1.15 -1.00 0.00 0.00 179.01 179.42 2yu7 h THR 20 N 0.41 0.47 0.41 1.13 2.02 -1.32 -2.51 112.91 113.52 2yu7 h THR 20 Ca 0.56 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2yu7 h THR 20 Cb 1.05 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2yu7 h THR 20 CO -0.52 0.06 -0.27 -0.07 0.37 0.00 0.00 175.52 175.09 2yu7 h LEU 21 N -0.88 -0.71 -0.93 2.58 3.38 -0.04 -0.13 115.31 118.58 2yu7 h LEU 21 Ca -0.06 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2yu7 h LEU 21 Cb 0.58 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 2yu7 h LEU 21 CO 0.10 -0.41 -0.54 0.18 0.09 0.00 0.00 178.44 177.87 2yu7 n LEU 22 N -4.04 -0.96 -0.04 1.67 4.77 0.89 0.17 117.00 119.46 2yu7 n LEU 22 Ca -0.08 1.66 0.10 0.00 -0.03 0.00 0.00 56.01 57.67 2yu7 n LEU 22 Cb 0.27 -0.23 0.51 0.00 -2.33 0.00 0.00 43.42 41.64 2yu7 n LEU 22 CO 0.18 -1.36 1.17 1.56 -1.33 0.00 0.00 177.39 177.61 2yu7 h GLN 23 N 0.00 0.38 -0.20 3.23 4.20 -1.39 -2.16 115.11 119.17 2yu7 h GLN 23 Ca 0.16 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.89 2yu7 h GLN 23 Cb 0.40 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2yu7 h GLN 23 CO -0.88 0.25 -0.02 0.00 -0.67 0.00 0.00 178.83 177.51 2yu7 h ALA 24 N 1.73 0.15 -0.54 3.87 0.00 0.36 -2.50 119.26 122.34 2yu7 h ALA 24 Ca 0.23 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2yu7 h ALA 24 Cb 0.41 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2yu7 h ALA 24 CO -0.06 -0.45 0.26 -0.22 0.00 0.00 0.00 179.25 178.78 2yu7 h LYS 25 N 0.04 0.48 -0.57 0.00 1.63 -0.68 -3.47 116.57 114.00 2yu7 h LYS 25 Ca 0.09 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2yu7 h LYS 25 Cb 0.13 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2yu7 h LYS 25 CO -0.18 0.32 -0.04 0.41 -3.45 0.00 0.00 179.45 176.51 2yu7 n GLY 26 N -1.26 0.49 3.17 5.01 0.00 -0.94 -5.05 105.19 106.62 2yu7 n GLY 26 Ca 0.06 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.41 3.10 0.50 1.61 0.41 -1.26 -5.11 118.70 113.54 2yu7 s GLU 27 Ca 0.01 -0.78 -0.21 0.00 -0.41 0.00 0.00 54.97 53.58 2yu7 s GLU 27 Cb -0.01 -2.68 -0.07 0.00 -1.78 0.00 0.00 34.13 29.60 2yu7 s GLU 27 CO 0.02 -0.19 1.15 -1.25 -0.49 0.00 0.00 175.26 174.49 2yu7 s PRO 28 N 1.31 3.58 -0.97 0.39 0.04 -1.26 -3.53 135.00 134.55 2yu7 s PRO 28 Ca 0.04 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 2yu7 s PRO 28 Cb -0.13 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2yu7 s PRO 28 CO -0.10 -0.68 0.56 0.91 0.04 0.00 0.00 177.00 177.73 2yu7 n TRP 29 N -0.86 -1.55 -3.61 0.56 5.03 0.66 -4.73 117.44 112.94 2yu7 n TRP 29 Ca 0.09 0.48 -0.39 0.00 3.03 0.00 0.00 57.50 60.71 2yu7 n TRP 29 Cb 0.49 -3.46 -0.11 0.00 -1.03 0.00 0.00 31.31 27.20 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 -3.06 4.83 0.16 -0.99 2.01 -1.18 -1.23 115.64 116.17 2yu7 s THR 30 Ca 0.28 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.95 2yu7 s THR 30 Cb -0.12 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2yu7 s THR 30 CO 0.35 0.02 0.12 0.72 -0.69 0.00 0.00 174.62 175.14 2yu7 s PHE 31 N 1.65 3.13 -0.23 4.92 -0.71 -0.79 0.14 117.98 126.08 2yu7 s PHE 31 Ca 0.05 -0.02 -0.16 0.00 -1.04 0.00 0.00 56.93 55.76 2yu7 s PHE 31 Cb -0.17 -1.51 0.07 0.00 -1.21 0.00 0.00 43.02 40.19 2yu7 s PHE 31 CO 0.08 0.52 0.58 -0.48 -1.34 0.00 0.00 175.22 174.58 2yu7 s LEU 32 N -3.03 -0.46 -0.04 -1.99 0.05 0.14 -0.60 118.68 112.75 2yu7 s LEU 32 Ca 0.31 1.23 -0.09 0.00 0.05 0.00 0.00 54.13 55.63 2yu7 s LEU 32 Cb -0.10 1.99 -0.05 0.00 -2.05 0.00 0.00 46.19 45.98 2yu7 s LEU 32 CO 0.23 -0.21 0.26 -0.69 -0.55 0.00 0.00 176.35 175.38 2yu7 s VAL 33 N 1.03 5.31 0.17 1.48 1.01 -1.18 -1.38 120.40 126.82 2yu7 s VAL 33 Ca -0.06 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2yu7 s VAL 33 Cb -0.05 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2yu7 s VAL 33 CO -0.10 0.52 0.35 0.00 0.00 0.00 0.00 175.10 175.87 2yu7 s ARG 34 N -1.28 1.19 0.24 2.72 1.70 -1.07 -2.24 118.95 120.21 2yu7 s ARG 34 Ca 0.22 -1.06 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 2yu7 s ARG 34 Cb -0.14 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 2yu7 s ARG 34 CO 0.11 -0.45 1.02 -1.21 -1.08 0.00 0.00 175.30 173.68 2yu7 s GLU 35 N -3.93 4.73 0.80 3.89 0.41 -1.06 -0.57 118.70 122.98 2yu7 s GLU 35 Ca 0.14 1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 56.22 2yu7 s GLU 35 Cb 0.02 -3.25 0.08 0.00 -1.78 0.00 0.00 34.13 29.20 2yu7 s GLU 35 CO -0.02 0.33 1.11 -1.54 -0.49 0.00 0.00 175.26 174.65 2yu7 s SER 36 N -0.85 4.11 -0.01 -0.19 1.04 -0.01 -4.34 113.70 113.44 2yu7 s SER 36 Ca 0.44 1.96 0.09 0.00 0.48 0.00 0.00 55.95 58.92 2yu7 s SER 36 Cb -0.28 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.15 2yu7 s SER 36 CO 0.36 -2.31 0.21 0.18 0.98 0.00 0.00 173.24 172.66 2yu7 n LEU 37 N -3.60 0.00 -0.03 2.42 7.99 -1.26 -4.80 117.00 117.72 2yu7 n LEU 37 Ca 0.10 -0.01 -0.07 0.00 -0.01 0.00 0.00 56.01 56.03 2yu7 n LEU 37 Cb 0.53 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 2yu7 n LEU 37 CO 0.52 0.00 -0.62 -1.20 -1.51 0.00 0.00 177.39 174.58 2yu7 n SER 38 N -1.82 0.76 -4.77 -1.43 7.64 -1.26 -5.03 113.62 107.71 2yu7 n SER 38 Ca -0.02 0.12 -0.40 0.00 1.01 0.00 0.00 58.87 59.58 2yu7 n SER 38 Cb 0.24 -0.29 -0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2yu7 n SER 38 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2yu7 s GLN 39 N -2.17 4.10 0.09 1.43 -0.21 -1.26 -4.95 119.66 116.69 2yu7 s GLN 39 Ca -0.10 2.39 -0.31 0.00 0.02 0.00 0.00 55.36 57.36 2yu7 s GLN 39 Cb 0.03 -2.92 -0.07 0.00 1.00 0.00 0.00 33.01 31.05 2yu7 s GLN 39 CO 0.13 -0.47 1.37 -1.25 -2.12 0.00 0.00 175.29 172.96 2yu7 s PRO 40 N -2.08 4.32 -1.22 2.91 0.04 -1.26 -3.61 135.00 134.11 2yu7 s PRO 40 Ca 0.53 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.59 2yu7 s PRO 40 Cb -0.43 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 30.82 2yu7 s PRO 40 CO 0.57 -0.44 0.04 0.41 0.04 0.00 0.00 177.00 177.62 2yu7 n GLY 41 N 3.49 -0.11 3.04 0.56 0.00 -1.26 -4.90 105.19 106.01 2yu7 n GLY 41 Ca 0.11 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.11 2.77 -4.11 1.61 9.92 -1.24 -4.73 116.55 118.67 2yu7 n ASP 42 Ca -0.22 -2.88 -0.08 0.00 -0.53 0.00 0.00 54.79 51.08 2yu7 n ASP 42 Cb 0.52 0.42 -0.10 0.00 -0.64 0.00 0.00 41.12 41.32 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 -2.62 0.63 -0.11 1.24 0.40 -1.18 -0.83 117.98 115.53 2yu7 s PHE 43 Ca 0.04 -1.12 0.03 0.00 -0.60 0.00 0.00 56.93 55.28 2yu7 s PHE 43 Cb 0.00 -0.42 0.00 0.00 0.51 0.00 0.00 43.02 43.12 2yu7 s PHE 43 CO 0.03 -0.42 -0.22 0.08 0.70 0.00 0.00 175.22 175.38 2yu7 s VAL 44 N -3.96 1.95 -0.54 -0.44 1.01 0.27 -1.06 120.40 117.63 2yu7 s VAL 44 Ca 0.13 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2yu7 s VAL 44 Cb 0.08 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.82 2yu7 s VAL 44 CO -0.06 0.53 0.70 -0.22 0.00 0.00 0.00 175.10 176.05 2yu7 s LEU 45 N 0.53 4.92 -0.09 3.92 1.98 -0.06 -2.58 118.68 127.29 2yu7 s LEU 45 Ca -0.15 -0.96 -0.12 0.00 -2.89 0.00 0.00 54.13 50.01 2yu7 s LEU 45 Cb -0.17 -2.46 -0.05 0.00 0.66 0.00 0.00 46.19 44.17 2yu7 s LEU 45 CO 0.05 -1.01 0.30 -0.55 -1.89 0.00 0.00 176.35 173.26 2yu7 s SER 46 N 2.95 6.58 -0.02 3.68 0.15 -0.48 -1.00 113.70 125.56 2yu7 s SER 46 Ca 0.16 0.68 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 2yu7 s SER 46 Cb -0.19 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2yu7 s SER 46 CO 0.11 0.27 0.06 -0.69 1.20 0.00 0.00 173.24 174.19 2yu7 s VAL 47 N -0.54 -0.02 -0.22 4.45 1.01 -0.37 0.25 120.40 124.96 2yu7 s VAL 47 Ca 0.19 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2yu7 s VAL 47 Cb -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2yu7 s VAL 47 CO 0.08 0.03 0.41 -0.22 0.00 0.00 0.00 175.10 175.40 2yu7 s LEU 48 N 0.40 4.12 0.25 3.92 2.96 0.12 -0.13 118.68 130.33 2yu7 s LEU 48 Ca -0.03 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 2yu7 s LEU 48 Cb -0.05 -2.52 -0.08 0.00 0.50 0.00 0.00 46.19 44.04 2yu7 s LEU 48 CO -0.01 -0.12 0.66 -0.94 -1.32 0.00 0.00 176.35 174.61 2yu7 s SER 49 N 1.20 6.81 0.00 3.68 1.04 0.80 -0.24 113.70 126.98 2yu7 s SER 49 Ca 0.19 1.19 0.15 0.00 0.48 0.00 0.00 55.95 57.96 2yu7 s SER 49 Cb -0.15 -2.33 0.91 0.00 0.10 0.00 0.00 66.02 64.55 2yu7 s SER 49 CO 0.08 -0.07 1.39 -0.90 0.98 0.00 0.00 173.24 174.72 2yu7 n ASP 50 N 0.11 0.00 -4.58 7.02 5.75 -1.26 -3.97 116.55 119.62 2yu7 n ASP 50 Ca 0.00 -0.90 -0.36 0.00 -0.01 0.00 0.00 54.79 53.52 2yu7 n ASP 50 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 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 -2.00 3.89 0.60 0.11 -0.21 -1.26 -5.00 119.66 115.79 2yu7 s GLN 51 Ca 0.23 -0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.07 2yu7 s GLN 51 Cb 0.11 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.73 2yu7 s GLN 51 CO 0.18 0.04 1.12 -1.25 -2.12 0.00 0.00 175.29 173.26 2yu7 s PRO 52 N 1.04 3.06 0.10 2.91 0.04 -1.26 -1.34 135.00 139.56 2yu7 s PRO 52 Ca 0.05 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 2yu7 s PRO 52 Cb -0.14 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 2yu7 s PRO 52 CO 0.04 -1.06 1.26 1.57 0.04 0.00 0.00 177.00 178.85 2yu7 h LYS 53 N 0.59 0.63 -2.64 4.56 2.10 -1.81 -3.40 116.57 116.61 2yu7 h LYS 53 Ca -0.48 -0.63 -0.60 0.00 -2.00 0.00 0.00 60.65 56.94 2yu7 h LYS 53 Cb 1.25 0.17 -0.39 0.00 -0.90 0.00 0.00 32.23 32.36 2yu7 h LYS 53 CO 0.55 1.23 -0.84 0.00 -2.00 0.00 0.00 179.45 178.40 2yu7 s ALA 54 N -3.42 2.06 0.00 0.07 0.00 -1.26 -5.07 121.76 114.14 2yu7 s ALA 54 Ca -0.09 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.10 2yu7 s ALA 54 Cb 0.08 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2yu7 s ALA 54 CO 0.90 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2yu7 n GLY 55 N 2.80 0.46 3.76 0.00 0.00 -1.26 -3.95 105.19 107.00 2yu7 n GLY 55 Ca 0.23 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 4.45 0.00 1.61 0.04 -1.26 -3.32 135.00 136.52 2yu7 s PRO 56 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2yu7 s PRO 56 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2yu7 s PRO 56 CO 0.00 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2yu7 n GLY 57 N 1.18 2.69 3.90 0.56 0.00 -1.26 -5.07 105.19 107.18 2yu7 n GLY 57 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.36 6.44 0.29 1.61 1.04 -1.21 -5.05 113.70 116.46 2yu7 s SER 58 Ca 0.00 0.90 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 2yu7 s SER 58 Cb 0.00 -2.23 -0.10 0.00 0.10 0.00 0.00 66.02 63.80 2yu7 s SER 58 CO 0.00 -0.34 1.24 -2.16 0.98 0.00 0.00 173.24 172.95 2yu7 s PRO 59 N -3.90 4.46 0.28 4.02 0.04 -1.26 -4.65 135.00 133.98 2yu7 s PRO 59 Ca 0.47 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2yu7 s PRO 59 Cb -0.10 -3.13 -0.14 0.00 0.04 0.00 0.00 34.50 31.17 2yu7 s PRO 59 CO 0.33 -0.07 1.18 1.28 0.04 0.00 0.00 177.00 179.77 2yu7 n LEU 60 N 1.22 2.48 -4.76 -3.56 4.32 -1.26 -3.10 117.00 112.33 2yu7 n LEU 60 Ca 0.01 1.17 -0.37 0.00 -0.02 0.00 0.00 56.01 56.80 2yu7 n LEU 60 Cb 0.43 -1.36 0.01 0.00 -1.62 0.00 0.00 43.42 40.88 2yu7 n LEU 60 CO 0.57 -0.96 0.86 -0.60 -1.22 0.00 0.00 177.39 176.04 2yu7 s ARG 61 N -1.25 3.44 0.25 3.23 3.52 -0.45 -4.77 118.95 122.93 2yu7 s ARG 61 Ca 0.62 1.87 0.10 0.00 -0.13 0.00 0.00 55.73 58.19 2yu7 s ARG 61 Cb -0.68 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2yu7 s ARG 61 CO 0.57 -0.84 -0.04 0.08 -0.81 0.00 0.00 175.30 174.27 2yu7 s VAL 62 N -1.52 3.33 -0.05 7.11 1.01 -1.26 -0.14 120.40 128.87 2yu7 s VAL 62 Ca 0.69 -1.88 0.03 0.00 0.00 0.00 0.00 61.98 60.81 2yu7 s VAL 62 Cb -0.31 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2yu7 s VAL 62 CO 0.37 -0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 174.14 2yu7 s THR 63 N -2.18 1.10 -0.28 3.92 2.01 0.81 -4.93 115.64 116.08 2yu7 s THR 63 Ca 0.30 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 2yu7 s THR 63 Cb -0.07 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.48 2yu7 s THR 63 CO 0.18 0.34 0.02 -1.00 -0.69 0.00 0.00 174.62 173.47 2yu7 s HIS 64 N 0.50 3.16 -0.28 4.92 3.76 -1.26 -1.23 115.29 124.85 2yu7 s HIS 64 Ca -0.11 -1.43 -0.06 0.00 -0.15 0.00 0.00 55.06 53.31 2yu7 s HIS 64 Cb -0.14 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.40 2yu7 s HIS 64 CO 0.03 -0.70 0.06 0.42 -0.85 0.00 0.00 174.74 173.70 2yu7 s ILE 65 N 1.37 3.87 -0.20 0.60 1.01 -0.17 -4.94 121.20 122.75 2yu7 s ILE 65 Ca -0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 2yu7 s ILE 65 Cb -0.18 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 2yu7 s ILE 65 CO -0.01 0.15 2.07 -0.54 0.00 0.00 0.00 174.94 176.61 2yu7 s LYS 66 N 1.50 3.35 -0.25 2.79 1.02 -1.26 -0.88 119.74 126.00 2yu7 s LYS 66 Ca 0.03 1.98 -0.17 0.00 0.02 0.00 0.00 55.97 57.83 2yu7 s LYS 66 Cb -0.17 -4.29 -0.03 0.00 -0.52 0.00 0.00 37.83 32.82 2yu7 s LYS 66 CO 0.02 -1.85 0.47 0.08 -0.92 0.00 0.00 175.35 173.14 2yu7 s VAL 67 N 7.32 5.11 -0.22 3.17 1.01 -0.22 -4.64 120.40 131.93 2yu7 s VAL 67 Ca 0.93 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.57 2yu7 s VAL 67 Cb -0.32 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2yu7 s VAL 67 CO 0.35 0.12 0.30 -0.04 0.00 0.00 0.00 175.10 175.84 2yu7 s MET 68 N 2.11 4.12 -0.05 2.72 -1.94 0.66 -3.07 119.30 123.85 2yu7 s MET 68 Ca 0.20 0.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 2yu7 s MET 68 Cb -0.16 -3.55 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 2yu7 s MET 68 CO 0.09 -0.02 -0.03 0.00 -0.01 0.00 0.00 175.02 175.05 2yu7 n GLU 70 N 1.95 2.25 -2.87 0.00 1.02 -0.72 -4.95 120.64 117.33 2yu7 n GLU 70 Ca -0.17 -4.25 -0.01 0.00 -0.02 0.00 0.00 57.16 52.71 2yu7 n GLU 70 Cb 0.53 -2.00 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 2yu7 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2yu7 n GLY 71 N 0.16 -2.83 2.21 0.62 0.00 -1.26 -3.83 105.19 100.26 2yu7 n GLY 71 Ca 0.28 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.83 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 1.28 0.59 3.29 -0.02 0.00 -1.26 -5.00 105.19 104.07 2yu7 n GLY 72 Ca -0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.50 1.12 -0.03 1.61 0.52 -1.25 -4.24 118.95 115.18 2yu7 s ARG 73 Ca 0.00 -1.30 -0.16 0.00 -0.52 0.00 0.00 55.73 53.75 2yu7 s ARG 73 Cb 0.00 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.83 2yu7 s ARG 73 CO 0.00 -0.39 0.35 0.71 0.02 0.00 0.00 175.30 176.00 2yu7 s TYR 74 N -4.01 -0.25 0.17 -0.53 1.51 -0.95 -1.75 117.35 111.54 2yu7 s TYR 74 Ca 0.22 0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 56.52 2yu7 s TYR 74 Cb 0.05 0.13 0.03 0.00 -0.11 0.00 0.00 41.96 42.06 2yu7 s TYR 74 CO 0.02 -0.40 0.47 -0.08 -1.11 0.00 0.00 175.55 174.46 2yu7 s THR 75 N -1.20 0.04 -0.21 -0.71 -1.32 0.23 -0.93 115.64 111.54 2yu7 s THR 75 Ca -0.12 -0.73 -0.04 0.00 -1.21 0.00 0.00 61.69 59.59 2yu7 s THR 75 Cb -0.04 -1.45 0.11 0.00 -1.51 0.00 0.00 72.50 69.60 2yu7 s THR 75 CO 0.05 -0.18 0.32 0.68 -2.21 0.00 0.00 174.62 173.27 2yu7 s VAL 76 N -3.85 -0.50 0.00 5.08 -7.23 -1.26 -0.25 120.40 112.39 2yu7 s VAL 76 Ca 0.08 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 2yu7 s VAL 76 Cb 0.00 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.24 2yu7 s VAL 76 CO -0.06 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 2yu7 n GLY 77 N 5.35 1.15 0.00 2.32 0.00 -1.26 -4.83 105.19 107.91 2yu7 n GLY 77 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.25 0.02 -0.02 0.00 -1.26 -5.04 105.19 100.13 2yu7 n GLY 78 Ca 0.00 -1.97 0.09 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 -4.50 0.99 -0.00 -1.26 -4.92 117.00 107.30 2yu7 n LEU 79 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 2yu7 n LEU 79 Cb 0.00 0.04 -0.17 0.00 -0.00 0.00 0.00 43.42 43.29 2yu7 n LEU 79 CO 0.00 0.04 2.13 -0.62 -0.00 0.00 0.00 177.39 178.94 2yu7 n GLU 80 N -2.26 0.07 -3.15 1.47 4.71 -1.26 -4.83 120.64 115.39 2yu7 n GLU 80 Ca -0.06 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.16 56.62 2yu7 n GLU 80 Cb 0.59 -1.47 -0.07 0.00 -1.01 0.00 0.00 31.44 29.48 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 5.73 4.87 0.44 2.62 -4.23 -1.26 -4.36 115.64 119.46 2yu7 s THR 81 Ca 1.31 -0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 61.39 2yu7 s THR 81 Cb -1.00 -4.23 -0.10 0.00 1.34 0.00 0.00 72.50 68.50 2yu7 s THR 81 CO 0.50 -0.68 0.97 -0.36 -0.54 0.00 0.00 174.62 174.51 2yu7 s PHE 82 N 2.67 3.24 0.48 3.99 0.40 -0.11 -4.77 117.98 123.89 2yu7 s PHE 82 Ca 0.18 1.61 0.23 0.00 -0.60 0.00 0.00 56.93 58.34 2yu7 s PHE 82 Cb -0.17 -2.91 1.26 0.00 0.51 0.00 0.00 43.02 41.72 2yu7 s PHE 82 CO 0.15 -0.29 1.92 -0.44 0.70 0.00 0.00 175.22 177.26 2yu7 h ASP 83 N 1.86 0.19 -5.25 1.36 3.32 -1.90 -2.52 116.42 113.47 2yu7 h ASP 83 Ca -0.49 0.01 0.19 0.00 0.02 0.00 0.00 57.03 56.76 2yu7 h ASP 83 Cb 1.19 -0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.62 2yu7 h ASP 83 CO 0.61 0.09 0.53 -0.44 -1.72 0.00 0.00 179.24 178.30 2yu7 s SER 84 N -5.89 -0.19 0.41 6.45 0.01 -1.26 -4.05 113.70 109.18 2yu7 s SER 84 Ca -0.06 -0.30 0.11 0.00 1.31 0.00 0.00 55.95 57.00 2yu7 s SER 84 Cb 0.21 0.43 0.93 0.00 0.21 0.00 0.00 66.02 67.80 2yu7 s SER 84 CO 0.76 -0.78 1.97 -0.07 0.41 0.00 0.00 173.24 175.53 2yu7 h LEU 85 N 2.00 0.48 -1.67 2.44 3.38 -1.92 -0.20 115.31 119.82 2yu7 h LEU 85 Ca -0.24 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2yu7 h LEU 85 Cb 1.23 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2yu7 h LEU 85 CO 0.27 0.29 0.40 0.74 0.09 0.00 0.00 178.44 180.23 2yu7 h THR 86 N 0.53 0.87 0.05 0.22 2.02 -1.98 0.16 112.91 114.79 2yu7 h THR 86 Ca 0.30 -0.13 -0.28 0.00 0.77 0.00 0.00 66.41 67.07 2yu7 h THR 86 Cb 0.46 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2yu7 h THR 86 CO -0.09 0.07 -1.55 -0.78 0.37 0.00 0.00 175.52 173.54 2yu7 h ASP 87 N 0.37 0.18 -0.84 4.18 1.82 -1.51 -2.75 116.42 117.87 2yu7 h ASP 87 Ca 0.28 -0.69 0.09 0.00 -0.39 0.00 0.00 57.03 56.32 2yu7 h ASP 87 Cb 0.60 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.49 2yu7 h ASP 87 CO -0.07 1.64 0.55 0.25 -1.61 0.00 0.00 179.24 179.99 2yu7 h LEU 88 N -0.56 0.74 0.15 2.28 6.46 -0.86 -0.14 115.31 123.38 2yu7 h LEU 88 Ca -0.38 0.02 -0.24 0.00 -0.12 0.00 0.00 57.88 57.17 2yu7 h LEU 88 Cb 1.60 -0.14 0.02 0.00 -0.73 0.00 0.00 40.66 41.41 2yu7 h LEU 88 CO -0.08 0.44 -1.09 0.58 -0.62 0.00 0.00 178.44 177.67 2yu7 h VAL 89 N 0.82 1.34 -0.98 1.05 2.07 -0.85 -3.27 116.25 116.43 2yu7 h VAL 89 Ca 0.38 -2.52 0.10 0.00 0.82 0.00 0.00 66.70 65.48 2yu7 h VAL 89 Cb 0.40 3.04 -0.08 0.00 -1.52 0.00 0.00 31.29 33.13 2yu7 h VAL 89 CO -0.15 0.73 0.63 -0.33 0.02 0.00 0.00 177.57 178.46 2yu7 h GLU 90 N -0.27 0.99 -0.29 1.57 5.08 -1.14 0.16 114.58 120.68 2yu7 h GLU 90 Ca -0.21 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2yu7 h GLU 90 Cb 1.76 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 2yu7 h GLU 90 CO 0.15 0.65 -0.05 1.25 -1.00 0.00 0.00 179.01 180.01 2yu7 h HIS 91 N 1.02 0.48 0.00 4.33 2.76 -1.14 -2.44 115.15 120.15 2yu7 h HIS 91 Ca 0.46 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.44 2yu7 h HIS 91 Cb 0.39 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2yu7 h HIS 91 CO -0.00 0.51 -0.75 0.74 -1.30 0.00 0.00 177.93 177.13 2yu7 h PHE 92 N 0.43 0.00 0.00 5.26 0.04 -1.11 -1.51 116.94 120.05 2yu7 h PHE 92 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2yu7 h PHE 92 Cb 0.37 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 2yu7 h PHE 92 CO 0.01 0.66 -0.11 0.87 -0.60 0.00 0.00 178.31 179.14 2yu7 h LYS 93 N 0.00 0.00 0.00 1.51 1.57 -0.28 1.57 116.57 120.94 2yu7 h LYS 93 Ca -0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.44 2yu7 h LYS 93 Cb 1.53 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.78 2yu7 h LYS 93 CO 0.08 0.11 -2.20 0.36 -0.57 0.00 0.00 179.45 177.24 2yu7 n LYS 94 N -3.75 0.68 -0.10 3.15 2.85 -1.16 -4.66 118.16 115.16 2yu7 n LYS 94 Ca -0.02 0.10 -0.23 0.00 -1.05 0.00 0.00 58.31 57.10 2yu7 n LYS 94 Cb 0.22 -1.43 -0.12 0.00 -0.65 0.00 0.00 35.03 33.06 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 -3.03 1.57 0.00 0.58 -2.24 -0.57 -5.12 114.28 105.48 2yu7 n THR 95 Ca -0.36 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2yu7 n THR 95 Cb 0.93 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 1.51 2.26 3.76 3.38 0.00 0.54 -5.00 105.19 111.63 2yu7 n GLY 96 Ca -0.37 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.79 5.37 -0.23 -0.61 1.01 -0.33 -4.81 121.20 118.81 2yu7 s ILE 97 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.94 2yu7 s ILE 97 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 2yu7 s ILE 97 CO 0.00 0.45 0.05 -0.70 0.00 0.00 0.00 174.94 174.75 2yu7 s GLU 98 N 0.13 3.68 0.50 2.79 2.12 -1.26 -0.27 118.70 126.38 2yu7 s GLU 98 Ca 0.13 -0.47 -0.19 0.00 0.36 0.00 0.00 54.97 54.80 2yu7 s GLU 98 Cb -0.12 -3.25 -0.08 0.00 0.26 0.00 0.00 34.13 30.94 2yu7 s GLU 98 CO 0.02 -0.09 1.02 -1.21 -0.54 0.00 0.00 175.26 174.45 2yu7 s GLU 99 N 1.34 3.80 0.48 4.30 2.02 0.05 -4.92 118.70 125.76 2yu7 s GLU 99 Ca 0.05 1.21 0.25 0.00 0.02 0.00 0.00 54.97 56.49 2yu7 s GLU 99 Cb -0.15 -2.10 1.29 0.00 0.10 0.00 0.00 34.13 33.27 2yu7 s GLU 99 CO 0.03 -0.41 1.86 0.00 0.02 0.00 0.00 175.26 176.76 2yu7 h ALA 100 N 1.26 2.53 -0.01 5.21 0.00 -1.99 0.32 119.26 126.59 2yu7 h ALA 100 Ca -0.48 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 2yu7 h ALA 100 Cb 1.21 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2yu7 h ALA 100 CO 0.59 -0.82 -0.90 1.03 0.00 0.00 0.00 179.25 179.16 2yu7 h SER 101 N 0.20 0.80 0.00 0.00 0.87 -2.04 -3.48 113.55 109.90 2yu7 h SER 101 Ca 0.46 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2yu7 h SER 101 Cb 1.48 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2yu7 h SER 101 CO -0.10 1.44 0.00 0.61 -0.53 0.00 0.00 176.83 178.24 2yu7 n GLY 102 N 1.06 2.51 2.97 5.77 0.00 0.10 -5.13 105.19 112.47 2yu7 n GLY 102 Ca -0.11 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.83 -4.08 4.61 0.00 -1.26 -4.34 120.51 112.61 2yu7 n ALA 103 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2yu7 n ALA 103 Cb 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.47 3.08 -0.11 0.00 0.08 -1.26 -0.77 117.98 117.52 2yu7 s PHE 104 Ca 0.54 -2.10 -0.18 0.00 0.12 0.00 0.00 56.93 55.30 2yu7 s PHE 104 Cb -0.59 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2yu7 s PHE 104 CO 0.56 -0.85 0.48 0.08 -0.10 0.00 0.00 175.22 175.39 2yu7 s VAL 105 N 1.17 5.17 -0.10 -0.44 1.01 0.62 -4.94 120.40 122.90 2yu7 s VAL 105 Ca -0.05 0.96 0.02 0.00 0.00 0.00 0.00 61.98 62.91 2yu7 s VAL 105 Cb -0.18 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2yu7 s VAL 105 CO -0.07 0.34 -0.15 -0.31 0.00 0.00 0.00 175.10 174.91 2yu7 s TYR 106 N 0.51 2.73 -0.31 5.22 2.02 -1.26 -1.18 117.35 125.07 2yu7 s TYR 106 Ca 0.26 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 2yu7 s TYR 106 Cb -0.15 -1.74 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 2yu7 s TYR 106 CO 0.11 -0.09 0.01 -0.51 -1.57 0.00 0.00 175.55 173.49 2yu7 s LEU 107 N -0.05 4.05 0.00 -1.29 1.02 -1.26 -4.33 118.68 116.83 2yu7 s LEU 107 Ca -0.03 -1.46 0.00 0.00 0.02 0.00 0.00 54.13 52.65 2yu7 s LEU 107 Cb -0.14 -1.69 0.00 0.00 0.02 0.00 0.00 46.19 44.38 2yu7 s LEU 107 CO 0.04 -0.29 0.00 0.54 0.02 0.00 0.00 176.35 176.66 2yu7 n ARG 108 N 4.55 2.32 -3.65 1.70 1.74 -0.37 -4.40 116.66 118.56 2yu7 n ARG 108 Ca -0.10 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 2yu7 n ARG 108 Cb 0.43 -0.89 -0.09 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.70 2.40 -0.96 5.56 -0.21 -0.55 -5.03 119.66 119.18 2yu7 s GLN 109 Ca 0.00 -2.01 -0.24 0.00 0.02 0.00 0.00 55.36 53.13 2yu7 s GLN 109 Cb 0.00 -3.80 -0.05 0.00 1.00 0.00 0.00 33.01 30.16 2yu7 s GLN 109 CO 0.00 -1.16 1.94 -1.25 -2.12 0.00 0.00 175.29 172.71 2yu7 s PRO 110 N 0.87 2.54 -0.42 2.91 0.04 -1.26 -1.89 135.00 137.80 2yu7 s PRO 110 Ca 0.10 -0.46 -0.41 0.00 0.04 0.00 0.00 61.00 60.27 2yu7 s PRO 110 Cb -0.23 -5.10 -0.16 0.00 0.04 0.00 0.00 34.50 29.06 2yu7 s PRO 110 CO -0.03 -3.49 2.06 0.98 0.04 0.00 0.00 177.00 176.55 2yu7 n TYR 111 N 14.05 1.48 -3.36 0.56 9.36 0.23 -4.60 117.16 134.89 2yu7 n TYR 111 Ca 0.41 0.60 -0.34 0.00 3.32 0.00 0.00 57.90 61.90 2yu7 n TYR 111 Cb 0.47 -2.39 -0.06 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 5.85 3.52 0.43 2.98 1.51 -1.26 -4.24 117.35 126.14 2yu7 s TYR 112 Ca 1.12 1.01 0.14 0.00 -1.01 0.00 0.00 57.07 58.33 2yu7 s TYR 112 Cb -1.22 -2.35 0.95 0.00 -0.11 0.00 0.00 41.96 39.23 2yu7 s TYR 112 CO 0.62 0.34 1.96 0.66 -1.11 0.00 0.00 175.55 178.02 2yu7 h SER 113 N 3.06 0.01 0.00 2.29 4.64 -1.70 -3.47 113.55 118.39 2yu7 h SER 113 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2yu7 h SER 113 Cb 1.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2yu7 h SER 113 CO 0.67 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 2yu7 n GLY 114 N -0.93 2.13 3.75 -0.77 0.00 -1.26 -4.76 105.19 103.35 2yu7 n GLY 114 Ca -0.02 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.42 -0.33 1.61 0.04 -1.26 -4.96 135.00 134.52 2yu7 s PRO 115 Ca 0.00 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2yu7 s PRO 115 Cb 0.00 -3.17 0.45 0.00 0.04 0.00 0.00 34.50 31.83 2yu7 s PRO 115 CO 0.00 -0.17 1.20 0.43 0.04 0.00 0.00 177.00 178.50 2yu7 n SER 116 N 1.98 4.97 -3.77 6.66 7.64 -1.26 -5.01 113.62 124.83 2yu7 n SER 116 Ca 0.04 -3.75 -0.13 0.00 1.01 0.00 0.00 58.87 56.04 2yu7 n SER 116 Cb 0.43 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.14 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 -3.54 -0.31 0.00 6.43 0.15 -1.26 -5.27 113.70 109.91 2yu7 s SER 117 Ca 0.51 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2yu7 s SER 117 Cb 0.41 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 2yu7 s SER 117 CO -0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94