#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6c s SER 2 N 0.00 4.89 -0.17 1.61 0.15 -1.26 -4.82 113.70 114.10 1x6c s SER 2 Ca 0.00 -0.32 -0.09 0.00 0.70 0.00 0.00 55.95 56.25 1x6c s SER 2 Cb 0.00 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1x6c s SER 2 CO 0.00 -0.05 0.17 -0.24 1.20 0.00 0.00 173.24 174.32 1x6c n SER 3 N 4.88 -2.77 -4.51 5.45 2.88 -1.26 -4.90 113.62 113.39 1x6c n SER 3 Ca -0.17 1.27 -0.32 0.00 -1.33 0.00 0.00 58.87 58.32 1x6c n SER 3 Cb 0.51 -4.56 0.14 0.00 -0.75 0.00 0.00 64.21 59.54 1x6c n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6c n GLY 4 N 1.70 -1.40 3.50 0.46 0.00 -1.26 -5.03 105.19 103.16 1x6c n GLY 4 Ca -0.29 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1x6c n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6c s SER 5 N -2.22 -0.48 -0.30 1.61 1.04 -1.26 -5.14 113.70 106.96 1x6c s SER 5 Ca 0.61 0.21 -0.05 0.00 0.48 0.00 0.00 55.95 57.20 1x6c s SER 5 Cb -0.22 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1x6c s SER 5 CO 0.64 -0.66 0.06 -0.44 0.98 0.00 0.00 173.24 173.82 1x6c s SER 6 N -2.04 5.03 -0.53 7.02 0.01 -1.26 -5.02 113.70 116.91 1x6c s SER 6 Ca -0.00 -0.90 0.05 0.00 1.31 0.00 0.00 55.95 56.41 1x6c s SER 6 Cb -0.01 -1.83 0.19 0.00 0.21 0.00 0.00 66.02 64.58 1x6c s SER 6 CO -0.04 -0.23 0.46 0.61 0.41 0.00 0.00 173.24 174.45 1x6c n GLY 7 N 4.80 3.13 1.44 3.44 0.00 -1.26 -4.81 105.19 111.94 1x6c n GLY 7 Ca -0.14 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1x6c n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1x6c n TRP 8 N 2.13 -0.35 -1.51 1.61 4.27 -1.26 -4.21 117.44 118.12 1x6c n TRP 8 Ca 0.25 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.46 1x6c n TRP 8 Cb 0.44 0.36 -0.08 0.00 -1.36 0.00 0.00 31.31 30.66 1x6c n TRP 8 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 1x6c n TYR 9 N -2.22 1.12 0.08 -2.67 9.36 -1.25 -3.56 117.16 118.02 1x6c n TYR 9 Ca 0.00 0.25 -0.13 0.00 3.32 0.00 0.00 57.90 61.34 1x6c n TYR 9 Cb 0.00 -2.52 -0.13 0.00 -0.63 0.00 0.00 39.34 36.06 1x6c n TYR 9 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1x6c h HIS 10 N 15.50 0.32 0.00 2.98 3.86 -1.26 -3.48 115.15 133.07 1x6c h HIS 10 Ca -0.17 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1x6c h HIS 10 Cb 1.29 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1x6c h HIS 10 CO 1.01 1.19 0.00 0.41 0.86 0.00 0.00 177.93 181.40 1x6c n GLY 11 N 1.49 1.08 3.35 2.45 0.00 -1.25 -4.83 105.19 107.47 1x6c n GLY 11 Ca -0.07 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.52 1x6c n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x6c s HIS 12 N 0.00 3.52 0.21 1.61 2.46 -1.26 0.86 115.29 122.69 1x6c s HIS 12 Ca 0.00 -1.70 0.11 0.00 0.47 0.00 0.00 55.06 53.94 1x6c s HIS 12 Cb 0.00 -3.91 -0.05 0.00 -0.13 0.00 0.00 32.58 28.50 1x6c s HIS 12 CO 0.00 -1.10 -0.21 1.41 -2.47 0.00 0.00 174.74 172.37 1x6c s MET 13 N 1.00 1.65 -0.23 2.88 0.00 -1.26 -5.01 119.30 118.33 1x6c s MET 13 Ca 0.18 -1.54 -0.10 0.00 0.00 0.00 0.00 55.69 54.23 1x6c s MET 13 Cb -0.13 -1.88 -0.05 0.00 0.00 0.00 0.00 34.83 32.76 1x6c s MET 13 CO -0.06 0.39 0.14 -1.54 0.00 0.00 0.00 175.02 173.95 1x6c s SER 14 N -2.89 6.02 0.08 1.11 1.04 -1.26 -4.72 113.70 113.09 1x6c s SER 14 Ca 0.23 0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.60 1x6c s SER 14 Cb -0.07 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1x6c s SER 14 CO 0.12 0.08 1.16 0.61 0.98 0.00 0.00 173.24 176.19 1x6c n GLY 15 N 4.20 -2.47 0.45 7.32 0.00 -1.26 0.19 105.19 113.61 1x6c n GLY 15 Ca -0.15 0.83 0.31 0.00 0.00 0.00 0.00 46.02 47.00 1x6c n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x6c h GLY 16 N 0.00 1.16 0.45 -0.02 0.00 -2.00 -0.76 103.07 101.90 1x6c h GLY 16 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1x6c h GLY 16 CO -0.49 -0.25 -0.22 -1.61 0.00 0.00 0.00 176.54 173.97 1x6c h GLN 17 N 0.22 -0.59 -0.91 4.80 4.15 0.17 -2.89 115.11 120.05 1x6c h GLN 17 Ca 0.70 0.04 0.16 0.00 0.77 0.00 0.00 58.65 60.32 1x6c h GLN 17 Cb 2.09 0.13 -0.16 0.00 0.21 0.00 0.00 27.48 29.76 1x6c h GLN 17 CO -0.33 -0.39 -0.30 0.00 -1.93 0.00 0.00 178.83 175.87 1x6c n ALA 18 N -2.47 0.02 -0.22 3.38 0.00 -0.21 0.17 120.51 121.18 1x6c n ALA 18 Ca -0.08 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1x6c n ALA 18 Cb 0.24 -0.49 0.08 0.00 0.00 0.00 0.00 19.45 19.28 1x6c n ALA 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x6c h GLU 19 N 0.00 0.02 -0.30 0.00 5.08 -1.35 1.50 114.58 119.53 1x6c h GLU 19 Ca 0.37 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1x6c h GLU 19 Cb 0.59 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1x6c h GLU 19 CO -0.92 0.01 -0.47 1.15 -1.00 0.00 0.00 179.01 177.79 1x6c h THR 20 N 0.02 1.28 0.68 1.13 2.02 0.19 -2.00 112.91 116.23 1x6c h THR 20 Ca 0.32 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 1x6c h THR 20 Cb 0.50 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1x6c h THR 20 CO -0.64 0.54 -0.34 -0.07 0.37 0.00 0.00 175.52 175.37 1x6c h LEU 21 N 0.63 -0.82 -1.05 2.58 4.07 0.32 1.51 115.31 122.55 1x6c h LEU 21 Ca 0.03 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.19 1x6c h LEU 21 Cb 1.07 0.22 -0.10 0.00 1.08 0.00 0.00 40.66 42.93 1x6c h LEU 21 CO 0.11 -0.57 0.62 -0.07 -1.08 0.00 0.00 178.44 177.45 1x6c h LEU 22 N -0.93 0.80 -0.20 1.67 3.38 0.19 0.22 115.31 120.44 1x6c h LEU 22 Ca -0.09 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1x6c h LEU 22 Cb 0.72 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1x6c h LEU 22 CO 0.14 0.34 -0.35 1.56 0.09 0.00 0.00 178.44 180.23 1x6c h GLN 23 N 0.81 0.59 -1.09 1.13 4.20 -0.77 -0.15 115.11 119.83 1x6c h GLN 23 Ca 0.54 -0.36 0.30 0.00 0.06 0.00 0.00 58.65 59.19 1x6c h GLN 23 Cb 0.78 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.50 1x6c h GLN 23 CO -0.33 0.97 0.70 0.00 -0.67 0.00 0.00 178.83 179.51 1x6c h ALA 24 N 0.61 2.34 0.00 3.87 0.00 0.42 -1.29 119.26 125.21 1x6c h ALA 24 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1x6c h ALA 24 Cb 0.94 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x6c h ALA 24 CO 0.08 -0.79 -0.26 -0.22 0.00 0.00 0.00 179.25 178.05 1x6c h LYS 25 N 0.32 0.00 0.00 0.00 1.63 -1.22 -3.48 116.57 113.82 1x6c h LYS 25 Ca 0.64 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.44 1x6c h LYS 25 Cb 1.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1x6c h LYS 25 CO -0.32 0.43 0.00 0.41 -3.45 0.00 0.00 179.45 176.52 1x6c n GLY 26 N 1.65 2.92 3.25 5.01 0.00 -0.08 -5.00 105.19 112.94 1x6c n GLY 26 Ca -0.09 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.34 1x6c n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6c n GLU 27 N -0.15 0.00 -2.49 1.61 1.02 -1.26 -4.83 120.64 114.53 1x6c n GLU 27 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1x6c n GLU 27 Cb 0.00 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1x6c n GLU 27 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1x6c s PRO 28 N 3.89 4.60 -0.31 3.49 0.04 -1.26 -3.60 135.00 141.85 1x6c s PRO 28 Ca 1.02 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 63.81 1x6c s PRO 28 Cb -1.37 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 29.92 1x6c s PRO 28 CO 0.69 0.11 0.26 0.91 0.04 0.00 0.00 177.00 179.00 1x6c n TRP 29 N 2.04 -0.57 -4.06 0.56 5.03 0.27 -4.82 117.44 115.89 1x6c n TRP 29 Ca 0.02 0.24 -0.33 0.00 3.03 0.00 0.00 57.50 60.46 1x6c n TRP 29 Cb 0.46 -2.80 -0.15 0.00 -1.03 0.00 0.00 31.31 27.78 1x6c n TRP 29 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1x6c s THR 30 N -3.09 2.35 0.39 -0.99 2.01 -1.11 -1.37 115.64 113.82 1x6c s THR 30 Ca 0.00 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.07 1x6c s THR 30 Cb -0.00 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1x6c s THR 30 CO 0.19 0.38 0.32 0.72 -0.69 0.00 0.00 174.62 175.54 1x6c s PHE 31 N 1.29 2.76 -0.28 4.92 -0.71 -1.15 0.11 117.98 124.91 1x6c s PHE 31 Ca 0.02 -0.44 -0.21 0.00 -1.04 0.00 0.00 56.93 55.26 1x6c s PHE 31 Cb -0.15 -2.01 0.11 0.00 -1.21 0.00 0.00 43.02 39.77 1x6c s PHE 31 CO -0.09 0.02 0.92 -0.48 -1.34 0.00 0.00 175.22 174.25 1x6c s LEU 32 N -4.05 -0.58 -0.12 -1.99 0.05 -0.89 -0.64 118.68 110.46 1x6c s LEU 32 Ca 0.45 1.04 -0.12 0.00 0.05 0.00 0.00 54.13 55.54 1x6c s LEU 32 Cb -0.03 2.01 -0.05 0.00 -2.05 0.00 0.00 46.19 46.07 1x6c s LEU 32 CO 0.27 -0.17 0.27 -0.69 -0.55 0.00 0.00 176.35 175.48 1x6c s VAL 33 N 0.74 5.30 -0.07 1.48 1.01 -1.23 -2.64 120.40 124.99 1x6c s VAL 33 Ca -0.02 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 1x6c s VAL 33 Cb -0.05 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1x6c s VAL 33 CO -0.09 0.49 0.23 0.00 0.00 0.00 0.00 175.10 175.72 1x6c s ARG 34 N -0.21 0.35 0.28 2.72 1.70 -1.02 -0.68 118.95 122.09 1x6c s ARG 34 Ca 0.17 0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 55.29 1x6c s ARG 34 Cb -0.13 0.16 -0.10 0.00 -0.57 0.00 0.00 34.95 34.31 1x6c s ARG 34 CO 0.05 -0.06 1.34 -2.00 -1.08 0.00 0.00 175.30 173.55 1x6c s GLU 35 N -0.27 4.34 0.24 3.89 2.12 0.25 -0.88 118.70 128.39 1x6c s GLU 35 Ca -0.04 2.20 -0.30 0.00 0.36 0.00 0.00 54.97 57.20 1x6c s GLU 35 Cb -0.03 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 1x6c s GLU 35 CO 0.01 -0.25 1.25 0.45 -0.54 0.00 0.00 175.26 176.18 1x6c s SER 36 N -0.12 6.97 0.00 -1.70 0.15 -0.35 -4.32 113.70 114.34 1x6c s SER 36 Ca 0.53 2.41 0.20 0.00 0.70 0.00 0.00 55.95 59.80 1x6c s SER 36 Cb -0.40 -2.62 -0.22 0.00 -1.71 0.00 0.00 66.02 61.08 1x6c s SER 36 CO 0.47 -0.43 0.59 0.18 1.20 0.00 0.00 173.24 175.25 1x6c n LEU 37 N 1.93 0.34 0.08 3.45 4.77 -1.26 -4.08 117.00 122.22 1x6c n LEU 37 Ca 0.03 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1x6c n LEU 37 Cb 0.43 0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1x6c n LEU 37 CO 0.57 0.08 0.15 0.28 -1.33 0.00 0.00 177.39 177.14 1x6c h SER 38 N 0.00 0.00 -3.29 -1.43 0.02 -1.97 -3.44 113.55 103.43 1x6c h SER 38 Ca -0.13 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.42 1x6c h SER 38 Cb 1.33 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.49 1x6c h SER 38 CO 0.01 0.68 -0.76 -1.10 -1.14 0.00 0.00 176.83 174.53 1x6c s GLN 39 N -2.86 0.33 -0.39 3.45 1.11 -1.26 -5.11 119.66 114.93 1x6c s GLN 39 Ca 0.01 0.21 -0.29 0.00 0.01 0.00 0.00 55.36 55.30 1x6c s GLN 39 Cb 0.08 -0.76 0.01 0.00 -1.01 0.00 0.00 33.01 31.33 1x6c s GLN 39 CO 0.78 -0.30 1.40 -1.25 0.01 0.00 0.00 175.29 175.93 1x6c s PRO 40 N 1.97 3.63 0.00 2.91 0.04 -1.26 -3.00 135.00 139.28 1x6c s PRO 40 Ca 0.04 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1x6c s PRO 40 Cb -0.12 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1x6c s PRO 40 CO -0.04 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1x6c n GLY 41 N 4.96 3.34 3.72 0.56 0.00 -1.26 -5.10 105.19 111.40 1x6c n GLY 41 Ca 0.16 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1x6c n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6c s ASP 42 N 0.00 2.90 0.05 1.61 1.11 -1.16 -4.89 116.67 116.29 1x6c s ASP 42 Ca 0.00 1.08 -0.02 0.00 0.18 0.00 0.00 52.55 53.79 1x6c s ASP 42 Cb 0.00 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.25 1x6c s ASP 42 CO 0.00 -2.95 -0.00 -0.36 1.18 0.00 0.00 175.17 173.04 1x6c s PHE 43 N -3.09 0.47 -0.01 4.23 0.08 -1.25 -1.21 117.98 117.20 1x6c s PHE 43 Ca 0.65 -1.00 0.08 0.00 0.12 0.00 0.00 56.93 56.77 1x6c s PHE 43 Cb -0.17 -0.35 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 1x6c s PHE 43 CO 0.56 -0.40 -0.25 0.08 -0.10 0.00 0.00 175.22 175.11 1x6c s VAL 44 N -3.88 2.15 -0.35 -0.44 1.01 -0.06 -0.92 120.40 117.92 1x6c s VAL 44 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1x6c s VAL 44 Cb 0.07 -1.77 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1x6c s VAL 44 CO -0.10 0.53 0.08 -0.22 0.00 0.00 0.00 175.10 175.40 1x6c s LEU 45 N -0.76 4.69 -0.41 3.92 2.96 -0.53 -2.44 118.68 126.11 1x6c s LEU 45 Ca 0.11 -1.90 -0.17 0.00 -0.22 0.00 0.00 54.13 51.94 1x6c s LEU 45 Cb -0.10 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1x6c s LEU 45 CO -0.00 -0.40 0.44 -0.44 -1.32 0.00 0.00 176.35 174.63 1x6c s SER 46 N 1.32 6.21 -0.14 3.68 0.01 -1.08 0.11 113.70 123.80 1x6c s SER 46 Ca 0.06 -0.56 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 1x6c s SER 46 Cb -0.21 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1x6c s SER 46 CO -0.05 -0.56 -0.12 -0.69 0.41 0.00 0.00 173.24 172.23 1x6c s VAL 47 N 2.18 3.09 -0.16 3.43 1.01 -0.01 -2.08 120.40 127.86 1x6c s VAL 47 Ca 0.13 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1x6c s VAL 47 Cb -0.17 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1x6c s VAL 47 CO 0.14 0.52 0.97 -0.22 0.00 0.00 0.00 175.10 176.50 1x6c s LEU 48 N 0.43 4.19 0.46 3.92 2.96 0.29 -2.14 118.68 128.78 1x6c s LEU 48 Ca -0.09 1.39 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 1x6c s LEU 48 Cb -0.16 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1x6c s LEU 48 CO 0.05 -0.50 0.74 -0.94 -1.32 0.00 0.00 176.35 174.38 1x6c s SER 49 N 1.14 6.20 -0.20 3.68 1.04 -1.12 0.94 113.70 125.38 1x6c s SER 49 Ca 0.44 0.78 0.06 0.00 0.48 0.00 0.00 55.95 57.71 1x6c s SER 49 Cb -0.17 -2.13 0.48 0.00 0.10 0.00 0.00 66.02 64.30 1x6c s SER 49 CO 0.13 -0.56 1.41 -0.90 0.98 0.00 0.00 173.24 174.30 1x6c n ASP 50 N -2.17 3.79 -4.18 7.02 5.75 -1.26 -4.56 116.55 120.93 1x6c n ASP 50 Ca -0.00 -2.76 -0.35 0.00 -0.01 0.00 0.00 54.79 51.66 1x6c n ASP 50 Cb 0.56 -0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 39.85 1x6c n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1x6c s GLN 51 N -2.10 2.46 0.98 0.11 -0.21 -1.26 -5.07 119.66 114.57 1x6c s GLN 51 Ca 0.35 -1.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.34 1x6c s GLN 51 Cb 0.28 -3.20 0.18 0.00 1.00 0.00 0.00 33.01 31.27 1x6c s GLN 51 CO 0.09 -0.62 1.17 -1.25 -2.12 0.00 0.00 175.29 172.56 1x6c s PRO 52 N 1.27 0.55 -0.20 2.91 0.04 -1.26 -1.90 135.00 136.41 1x6c s PRO 52 Ca -0.05 0.06 -0.09 0.00 0.04 0.00 0.00 61.00 60.96 1x6c s PRO 52 Cb -0.20 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.35 1x6c s PRO 52 CO -0.01 -2.55 0.07 1.63 0.04 0.00 0.00 177.00 176.18 1x6c n LYS 53 N -3.97 0.66 -0.02 4.56 5.02 -1.14 -4.64 118.16 118.63 1x6c n LYS 53 Ca 0.10 0.31 -0.01 0.00 -2.02 0.00 0.00 58.31 56.69 1x6c n LYS 53 Cb 0.59 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1x6c n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6c n ALA 54 N -3.36 1.97 0.00 7.82 0.00 -1.26 -5.11 120.51 120.57 1x6c n ALA 54 Ca -0.39 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1x6c n ALA 54 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.40 1x6c n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6c n GLY 55 N 2.49 0.27 3.62 0.00 0.00 -1.26 -4.97 105.19 105.35 1x6c n GLY 55 Ca -0.07 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1x6c n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6c s PRO 56 N 0.00 3.77 0.00 1.61 0.04 -1.26 -2.30 135.00 136.86 1x6c s PRO 56 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1x6c s PRO 56 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1x6c s PRO 56 CO 0.00 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.13 1x6c n GLY 57 N 4.65 0.77 3.58 0.56 0.00 -1.26 -5.10 105.19 108.39 1x6c n GLY 57 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1x6c n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6c s SER 58 N -1.90 4.32 0.41 1.61 1.04 -0.97 -5.06 113.70 113.14 1x6c s SER 58 Ca 0.00 -0.54 -0.24 0.00 0.48 0.00 0.00 55.95 55.66 1x6c s SER 58 Cb 0.00 -0.76 -0.09 0.00 0.10 0.00 0.00 66.02 65.27 1x6c s SER 58 CO 0.00 0.11 1.05 -2.16 0.98 0.00 0.00 173.24 173.23 1x6c s PRO 59 N -2.76 4.12 -0.08 4.02 0.04 -1.26 -4.72 135.00 134.36 1x6c s PRO 59 Ca 0.25 1.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 1x6c s PRO 59 Cb -0.09 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1x6c s PRO 59 CO 0.15 -0.18 0.92 -0.51 0.04 0.00 0.00 177.00 177.42 1x6c s LEU 60 N -2.72 4.28 0.54 -3.56 1.43 -1.26 -2.88 118.68 114.51 1x6c s LEU 60 Ca 0.59 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 1x6c s LEU 60 Cb -0.22 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 1x6c s LEU 60 CO 0.27 -0.33 0.38 0.54 0.23 0.00 0.00 176.35 177.44 1x6c n ARG 61 N 4.55 0.40 -4.21 1.70 1.74 -0.80 -4.72 116.66 115.32 1x6c n ARG 61 Ca 0.06 0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 1x6c n ARG 61 Cb 0.50 -1.53 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1x6c n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1x6c s VAL 62 N -1.76 3.55 -0.13 1.55 1.01 -1.26 -2.78 120.40 120.57 1x6c s VAL 62 Ca 0.66 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1x6c s VAL 62 Cb -0.47 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1x6c s VAL 62 CO 0.57 0.04 -0.08 -0.89 0.00 0.00 0.00 175.10 174.74 1x6c s THR 63 N -1.40 1.14 -0.45 3.92 2.01 -0.91 -4.99 115.64 114.97 1x6c s THR 63 Ca 0.24 -0.42 -0.15 0.00 0.31 0.00 0.00 61.69 61.68 1x6c s THR 63 Cb -0.11 -1.17 0.06 0.00 0.01 0.00 0.00 72.50 71.29 1x6c s THR 63 CO 0.16 0.33 0.35 -1.00 -0.69 0.00 0.00 174.62 173.77 1x6c s HIS 64 N 1.65 3.25 -0.64 4.92 3.76 -1.25 -0.82 115.29 126.16 1x6c s HIS 64 Ca 0.04 -0.90 -0.19 0.00 -0.15 0.00 0.00 55.06 53.87 1x6c s HIS 64 Cb -0.13 -2.96 0.11 0.00 1.11 0.00 0.00 32.58 30.70 1x6c s HIS 64 CO -0.09 -0.74 0.76 0.42 -0.85 0.00 0.00 174.74 174.25 1x6c s ILE 65 N 1.63 4.81 0.26 0.60 1.09 0.30 -4.84 121.20 125.05 1x6c s ILE 65 Ca 0.04 -1.06 -0.30 0.00 -1.10 0.00 0.00 60.65 58.22 1x6c s ILE 65 Cb -0.23 -4.53 -0.11 0.00 -1.06 0.00 0.00 42.46 36.53 1x6c s ILE 65 CO 0.07 -1.18 1.60 -0.54 -0.10 0.00 0.00 174.94 174.79 1x6c s LYS 66 N 2.68 4.15 -0.39 2.79 1.02 -1.26 -1.46 119.74 127.27 1x6c s LYS 66 Ca 0.14 2.53 -0.14 0.00 0.02 0.00 0.00 55.97 58.52 1x6c s LYS 66 Cb -0.21 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1x6c s LYS 66 CO 0.05 -0.63 0.29 0.08 -0.92 0.00 0.00 175.35 174.22 1x6c s VAL 67 N 0.32 5.26 -0.52 3.17 1.01 -0.10 -4.56 120.40 124.98 1x6c s VAL 67 Ca 0.66 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1x6c s VAL 67 Cb -0.47 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1x6c s VAL 67 CO 0.43 -0.21 1.44 -0.04 0.00 0.00 0.00 175.10 176.71 1x6c s MET 68 N 1.72 3.36 -0.80 2.72 -1.94 0.43 -3.85 119.30 120.94 1x6c s MET 68 Ca 0.06 0.61 -0.17 0.00 -1.71 0.00 0.00 55.69 54.48 1x6c s MET 68 Cb -0.18 -4.11 0.15 0.00 2.01 0.00 0.00 34.83 32.70 1x6c s MET 68 CO 0.10 -1.86 0.90 0.00 -0.01 0.00 0.00 175.02 174.15 1x6c s GLU 70 N 1.95 1.58 -1.30 0.00 2.02 0.18 -4.79 118.70 118.35 1x6c s GLU 70 Ca 0.22 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.56 1x6c s GLU 70 Cb -0.12 -1.44 -0.00 0.00 0.10 0.00 0.00 34.13 32.66 1x6c s GLU 70 CO -0.04 0.30 0.63 0.41 0.02 0.00 0.00 175.26 176.57 1x6c n GLY 71 N 2.92 -0.44 2.34 -1.39 0.00 -1.26 -0.17 105.19 107.18 1x6c n GLY 71 Ca -0.17 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1x6c n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6c n GLY 72 N -1.73 -0.23 3.12 -0.02 0.00 -1.26 -4.92 105.19 100.14 1x6c n GLY 72 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1x6c n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x6c s ARG 73 N -4.66 0.73 -0.03 1.61 0.52 0.75 -4.72 118.95 113.16 1x6c s ARG 73 Ca 0.00 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 1x6c s ARG 73 Cb 0.00 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1x6c s ARG 73 CO 0.00 0.15 -0.03 0.71 0.02 0.00 0.00 175.30 176.15 1x6c s TYR 74 N -1.12 3.02 -0.03 -0.53 2.02 -0.17 0.51 117.35 121.04 1x6c s TYR 74 Ca -0.03 0.06 -0.24 0.00 -0.37 0.00 0.00 57.07 56.49 1x6c s TYR 74 Cb -0.09 -1.69 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1x6c s TYR 74 CO 0.01 0.41 0.53 -0.08 -1.57 0.00 0.00 175.55 174.86 1x6c s THR 75 N -0.97 0.02 -2.27 -0.71 -1.32 -0.09 -1.33 115.64 108.98 1x6c s THR 75 Ca 0.16 -0.20 0.20 0.00 -1.21 0.00 0.00 61.69 60.64 1x6c s THR 75 Cb -0.11 -0.86 0.44 0.00 -1.51 0.00 0.00 72.50 70.46 1x6c s THR 75 CO 0.06 -0.11 1.45 1.33 -2.21 0.00 0.00 174.62 175.14 1x6c n VAL 76 N 1.00 0.44 0.00 5.08 0.24 -1.26 0.16 118.33 123.98 1x6c n VAL 76 Ca -0.20 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1x6c n VAL 76 Cb 0.57 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1x6c n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x6c n GLY 77 N 1.30 1.65 3.80 7.63 0.00 -1.26 -4.92 105.19 113.39 1x6c n GLY 77 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1x6c n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x6c s GLY 78 N -2.00 2.70 0.28 -0.02 0.00 -1.26 -5.03 107.32 101.99 1x6c s GLY 78 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1x6c s GLY 78 CO 0.00 -2.07 1.67 1.41 0.00 0.00 0.00 173.10 174.10 1x6c h LEU 79 N 1.19 0.25 -9.75 0.66 3.38 -2.01 -3.43 115.31 105.61 1x6c h LEU 79 Ca -0.42 -0.11 -0.52 0.00 0.09 0.00 0.00 57.88 56.92 1x6c h LEU 79 Cb 1.30 -0.07 0.04 0.00 0.09 0.00 0.00 40.66 42.02 1x6c h LEU 79 CO 0.69 0.68 0.65 -1.61 0.09 0.00 0.00 178.44 178.93 1x6c s GLU 80 N -4.04 4.39 0.37 1.13 2.02 -1.26 -5.02 118.70 116.28 1x6c s GLU 80 Ca -0.04 2.10 0.03 0.00 0.02 0.00 0.00 54.97 57.08 1x6c s GLU 80 Cb 0.13 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 1x6c s GLU 80 CO 0.78 -0.22 0.10 0.25 0.02 0.00 0.00 175.26 176.19 1x6c n THR 81 N 2.03 0.00 -3.77 3.63 -2.24 -1.26 -4.63 114.28 108.05 1x6c n THR 81 Ca 0.04 -2.06 -0.09 0.00 -2.27 0.00 0.00 64.05 59.67 1x6c n THR 81 Cb 0.42 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 1x6c n THR 81 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x6c s PHE 82 N -2.82 -0.07 -0.24 4.78 0.08 -0.44 -4.91 117.98 114.36 1x6c s PHE 82 Ca 0.15 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 1x6c s PHE 82 Cb 0.01 0.37 -0.18 0.00 -0.57 0.00 0.00 43.02 42.65 1x6c s PHE 82 CO 0.10 -0.92 -0.15 -3.47 -0.10 0.00 0.00 175.22 170.68 1x6c n ASP 83 N -0.34 2.00 -4.33 1.36 2.03 -1.26 -1.00 116.55 115.01 1x6c n ASP 83 Ca -0.09 -0.03 -0.23 0.00 0.52 0.00 0.00 54.79 54.96 1x6c n ASP 83 Cb 0.62 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 40.38 1x6c n ASP 83 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1x6c s SER 84 N -6.70 2.71 0.47 1.67 1.04 -1.26 -4.81 113.70 106.82 1x6c s SER 84 Ca -0.33 -0.81 0.14 0.00 0.48 0.00 0.00 55.95 55.43 1x6c s SER 84 Cb 0.09 -0.16 1.12 0.00 0.10 0.00 0.00 66.02 67.17 1x6c s SER 84 CO 0.61 0.01 2.06 -0.07 0.98 0.00 0.00 173.24 176.84 1x6c h LEU 85 N 3.51 0.21 0.34 2.42 -0.00 -1.98 -1.94 115.31 117.87 1x6c h LEU 85 Ca -0.44 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.42 1x6c h LEU 85 Cb 1.20 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1x6c h LEU 85 CO 0.47 0.14 -0.18 0.74 -0.00 0.00 0.00 178.44 179.62 1x6c h THR 86 N 0.24 0.64 0.00 0.22 2.02 -1.97 1.51 112.91 115.57 1x6c h THR 86 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1x6c h THR 86 Cb 0.26 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1x6c h THR 86 CO -0.03 0.00 0.00 0.44 0.37 0.00 0.00 175.52 176.30 1x6c h ASP 87 N -0.48 0.00 0.00 4.18 5.19 -1.77 0.92 116.42 124.46 1x6c h ASP 87 Ca -0.04 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.20 1x6c h ASP 87 Cb 0.38 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 1x6c h ASP 87 CO 0.07 0.00 -1.12 -0.11 -3.12 0.00 0.00 179.24 174.96 1x6c n LEU 88 N -2.39 1.85 -0.13 1.55 0.00 -0.21 -3.30 117.00 114.38 1x6c n LEU 88 Ca -0.01 0.48 -0.09 0.00 0.00 0.00 0.00 56.01 56.39 1x6c n LEU 88 Cb 0.07 -0.92 -0.00 0.00 0.00 0.00 0.00 43.42 42.57 1x6c n LEU 88 CO 0.13 0.04 0.96 0.58 0.00 0.00 0.00 177.39 179.10 1x6c h VAL 89 N -1.00 1.17 0.00 1.96 2.07 0.26 0.15 116.25 120.86 1x6c h VAL 89 Ca -0.26 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1x6c h VAL 89 Cb 1.07 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1x6c h VAL 89 CO -0.15 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 1x6c n GLU 90 N -4.70 0.10 -0.11 1.57 1.02 0.31 0.39 120.64 119.22 1x6c n GLU 90 Ca 0.00 0.21 -0.21 0.00 -0.02 0.00 0.00 57.16 57.14 1x6c n GLU 90 Cb 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 1x6c n GLU 90 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1x6c n HIS 91 N -1.39 0.61 1.27 -0.32 -0.00 -0.12 -4.27 115.22 111.01 1x6c n HIS 91 Ca 0.05 0.26 0.14 0.00 0.46 0.00 0.00 57.72 58.64 1x6c n HIS 91 Cb 0.13 -0.98 0.69 0.00 -0.12 0.00 0.00 29.99 29.71 1x6c n HIS 91 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1x6c n PHE 92 N -4.40 0.00 0.23 1.57 3.72 0.34 -3.22 117.46 115.70 1x6c n PHE 92 Ca -0.35 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.13 1x6c n PHE 92 Cb 0.68 -0.35 0.39 0.00 -0.94 0.00 0.00 39.48 39.26 1x6c n PHE 92 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1x6c n LYS 93 N -1.34 0.10 0.03 -1.08 5.02 0.16 -0.26 118.16 120.79 1x6c n LYS 93 Ca 0.12 0.50 -0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1x6c n LYS 93 Cb 0.28 -1.77 -0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1x6c n LYS 93 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x6c n LYS 94 N -1.97 0.01 0.20 1.97 2.85 -1.20 -4.43 118.16 115.59 1x6c n LYS 94 Ca 0.00 0.01 0.18 0.00 -1.05 0.00 0.00 58.31 57.45 1x6c n LYS 94 Cb 0.09 -0.36 0.77 0.00 -0.65 0.00 0.00 35.03 34.88 1x6c n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1x6c h THR 95 N -0.03 0.22 -1.17 0.58 1.35 -1.63 -3.47 112.91 108.76 1x6c h THR 95 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 1x6c h THR 95 Cb 0.03 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 1x6c h THR 95 CO 0.00 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 175.78 1x6c n GLY 96 N -1.38 -1.78 3.30 5.82 0.00 0.65 -4.93 105.19 106.88 1x6c n GLY 96 Ca 0.03 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 1x6c n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6c s ILE 97 N -0.65 1.81 -0.20 -0.61 1.01 0.96 -4.81 121.20 118.70 1x6c s ILE 97 Ca 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.02 1x6c s ILE 97 Cb 0.00 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1x6c s ILE 97 CO 0.00 -0.03 -0.01 -0.70 0.00 0.00 0.00 174.94 174.20 1x6c s GLU 98 N -1.93 3.59 1.03 2.79 2.12 -1.26 0.18 118.70 125.21 1x6c s GLU 98 Ca 0.08 -0.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 1x6c s GLU 98 Cb -0.10 -3.06 0.23 0.00 0.26 0.00 0.00 34.13 31.46 1x6c s GLU 98 CO 0.05 -0.00 1.29 -1.21 -0.54 0.00 0.00 175.26 174.84 1x6c s GLU 99 N 1.04 0.10 0.06 4.30 2.02 0.75 -4.95 118.70 122.01 1x6c s GLU 99 Ca 0.02 -0.39 0.17 0.00 0.02 0.00 0.00 54.97 54.79 1x6c s GLU 99 Cb -0.14 -1.78 -0.13 0.00 0.10 0.00 0.00 34.13 32.17 1x6c s GLU 99 CO 0.01 -2.78 0.81 0.00 0.02 0.00 0.00 175.26 173.33 1x6c n ALA 100 N -4.03 1.97 0.43 5.21 0.00 -1.26 -3.67 120.51 119.15 1x6c n ALA 100 Ca 0.16 -0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.16 1x6c n ALA 100 Cb 0.59 -0.95 0.44 0.00 0.00 0.00 0.00 19.45 19.54 1x6c n ALA 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x6c n SER 101 N -2.86 0.49 0.00 0.00 7.64 -1.26 -4.84 113.62 112.78 1x6c n SER 101 Ca -0.10 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1x6c n SER 101 Cb 0.83 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1x6c n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6c n GLY 102 N 0.01 2.51 3.80 0.23 0.00 -1.24 -5.08 105.19 105.42 1x6c n GLY 102 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1x6c n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6c s ALA 103 N -2.35 2.82 0.11 4.61 0.00 -1.26 -4.76 121.76 120.93 1x6c s ALA 103 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1x6c s ALA 103 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1x6c s ALA 103 CO 0.00 -0.55 0.02 -0.06 0.00 0.00 0.00 175.76 175.17 1x6c s PHE 104 N -2.22 2.99 0.34 0.00 0.40 -1.26 -0.18 117.98 118.06 1x6c s PHE 104 Ca 0.65 -0.04 0.09 0.00 -0.60 0.00 0.00 56.93 57.03 1x6c s PHE 104 Cb -0.16 -1.51 -0.07 0.00 0.51 0.00 0.00 43.02 41.80 1x6c s PHE 104 CO 0.28 0.49 -0.09 0.08 0.70 0.00 0.00 175.22 176.69 1x6c s VAL 105 N -1.45 2.17 -0.10 -0.44 1.01 0.47 -4.90 120.40 117.17 1x6c s VAL 105 Ca 0.27 -2.19 -0.12 0.00 0.00 0.00 0.00 61.98 59.94 1x6c s VAL 105 Cb -0.11 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.65 1x6c s VAL 105 CO 0.19 -0.20 0.32 -0.31 0.00 0.00 0.00 175.10 175.10 1x6c s TYR 106 N -2.66 -0.31 -0.98 5.22 2.02 -1.26 -0.03 117.35 119.36 1x6c s TYR 106 Ca 0.32 0.72 -0.16 0.00 -0.37 0.00 0.00 57.07 57.59 1x6c s TYR 106 Cb 0.03 0.11 0.17 0.00 -0.40 0.00 0.00 41.96 41.88 1x6c s TYR 106 CO 0.16 -0.22 1.10 -0.51 -1.57 0.00 0.00 175.55 174.51 1x6c s LEU 107 N -0.20 5.59 -0.03 -1.29 1.02 -1.26 -4.45 118.68 118.06 1x6c s LEU 107 Ca -0.03 -2.53 -0.19 0.00 0.02 0.00 0.00 54.13 51.39 1x6c s LEU 107 Cb -0.03 -2.34 -0.12 0.00 0.02 0.00 0.00 46.19 43.72 1x6c s LEU 107 CO 0.01 -0.81 0.82 0.03 0.02 0.00 0.00 176.35 176.43 1x6c h ARG 108 N 8.05 -0.47 -3.90 1.70 3.08 -1.52 -3.45 114.38 117.87 1x6c h ARG 108 Ca 0.18 0.03 -0.25 0.00 0.07 0.00 0.00 59.98 60.01 1x6c h ARG 108 Cb 0.98 0.11 -0.27 0.00 0.08 0.00 0.00 29.97 30.87 1x6c h ARG 108 CO 1.04 -0.20 -0.73 1.14 -1.07 0.00 0.00 179.97 180.15 1x6c s GLN 109 N -3.68 0.13 0.62 0.04 0.00 -0.99 -5.07 119.66 110.73 1x6c s GLN 109 Ca -0.11 -0.12 -0.14 0.00 -0.00 0.00 0.00 55.36 55.00 1x6c s GLN 109 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 33.01 32.91 1x6c s GLN 109 CO 0.36 0.02 1.05 -1.25 0.00 0.00 0.00 175.29 175.47 1x6c s PRO 110 N -0.20 3.23 -0.19 9.60 0.04 -1.26 -2.94 135.00 143.29 1x6c s PRO 110 Ca -0.01 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.02 1x6c s PRO 110 Cb -0.02 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1x6c s PRO 110 CO -0.00 -0.87 0.12 -0.47 0.04 0.00 0.00 177.00 175.82 1x6c s TYR 111 N -2.69 3.42 0.46 0.56 5.04 0.19 -4.84 117.35 119.48 1x6c s TYR 111 Ca 0.61 0.33 0.07 0.00 -2.44 0.00 0.00 57.07 55.64 1x6c s TYR 111 Cb -0.15 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.05 1x6c s TYR 111 CO 0.43 0.34 0.40 0.71 -1.34 0.00 0.00 175.55 176.09 1x6c s TYR 112 N 0.15 2.32 -0.15 4.97 1.51 -1.26 -4.43 117.35 120.47 1x6c s TYR 112 Ca 0.08 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1x6c s TYR 112 Cb -0.11 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1x6c s TYR 112 CO -0.01 -0.27 -0.11 -1.54 -1.11 0.00 0.00 175.55 172.51 1x6c s SER 113 N -4.19 2.64 -0.12 2.29 1.04 -1.26 -5.09 113.70 109.01 1x6c s SER 113 Ca 0.45 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 56.25 1x6c s SER 113 Cb -0.03 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 64.99 1x6c s SER 113 CO 0.26 -0.10 0.30 -0.83 0.98 0.00 0.00 173.24 173.85 1x6c s GLY 114 N 1.56 2.26 -0.08 7.32 0.00 -1.26 -5.00 107.32 112.11 1x6c s GLY 114 Ca 0.04 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.05 1x6c s GLY 114 CO -0.09 0.26 1.02 -0.56 0.00 0.00 0.00 173.10 173.72 1x6c h PRO 115 N 6.04 0.01 -2.10 2.90 0.13 -2.08 -3.45 132.00 133.46 1x6c h PRO 115 Ca -0.45 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1x6c h PRO 115 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 1x6c h PRO 115 CO 0.70 0.76 -0.34 -1.54 -0.23 0.00 0.00 178.00 177.36 1x6c s SER 116 N -5.99 -0.45 -0.99 1.44 1.04 -1.26 -5.09 113.70 102.39 1x6c s SER 116 Ca -0.17 0.92 -0.15 0.00 0.48 0.00 0.00 55.95 57.03 1x6c s SER 116 Cb -0.01 1.58 0.19 0.00 0.10 0.00 0.00 66.02 67.89 1x6c s SER 116 CO 0.69 -0.25 1.08 -0.55 0.98 0.00 0.00 173.24 175.19 1x6c s SER 117 N 2.68 6.89 0.00 7.02 0.15 -1.26 -5.30 113.70 123.88 1x6c s SER 117 Ca 0.03 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 53.97 1x6c s SER 117 Cb -0.13 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1x6c s SER 117 CO -0.16 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.18