#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 -0.16 0.15 1.61 0.01 -1.26 -5.16 113.70 108.90 1x6c s SER 2 Ca 0.00 0.77 -0.15 0.00 1.31 0.00 0.00 55.95 57.88 1x6c s SER 2 Cb 0.00 0.84 0.02 0.00 0.21 0.00 0.00 66.02 67.09 1x6c s SER 2 CO 0.00 -0.21 0.40 -0.55 0.41 0.00 0.00 173.24 173.29 1x6c s SER 3 N 1.98 -0.16 0.00 2.44 0.15 -1.26 -5.09 113.70 111.76 1x6c s SER 3 Ca -0.04 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1x6c s SER 3 Cb -0.11 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1x6c s SER 3 CO -0.11 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1x6c n GLY 4 N -0.25 1.24 0.89 9.45 0.00 -1.26 -5.09 105.19 110.16 1x6c n GLY 4 Ca -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1x6c n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6c n SER 5 N 0.00 -1.43 -4.02 1.61 7.64 -1.26 -5.15 113.62 111.01 1x6c n SER 5 Ca 0.00 0.54 -0.11 0.00 1.01 0.00 0.00 58.87 60.32 1x6c n SER 5 Cb 0.00 1.60 -0.11 0.00 -1.01 0.00 0.00 64.21 64.69 1x6c n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6c s SER 6 N -1.79 0.52 -0.23 6.43 1.04 -1.26 -5.05 113.70 113.37 1x6c s SER 6 Ca 0.00 -0.56 0.11 0.00 0.48 0.00 0.00 55.95 55.98 1x6c s SER 6 Cb 0.00 0.08 0.31 0.00 0.10 0.00 0.00 66.02 66.51 1x6c s SER 6 CO 0.00 -0.28 1.34 0.61 0.98 0.00 0.00 173.24 175.89 1x6c n GLY 7 N 1.42 1.57 0.25 7.32 0.00 -1.26 -4.92 105.19 109.57 1x6c n GLY 7 Ca -0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.96 0.00 -1.48 1.61 4.27 -1.26 -4.03 117.44 115.59 1x6c n TRP 8 Ca -0.17 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 52.98 1x6c n TRP 8 Cb 0.84 -0.17 -0.07 0.00 -1.36 0.00 0.00 31.31 30.54 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 -2.79 1.40 0.01 -2.67 9.36 -1.26 -3.57 117.16 117.64 1x6c n TYR 9 Ca -0.08 0.25 -0.08 0.00 3.32 0.00 0.00 57.90 61.31 1x6c n TYR 9 Cb 0.58 -2.54 -0.13 0.00 -0.63 0.00 0.00 39.34 36.62 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 14.02 0.00 0.00 2.98 3.86 -1.40 -3.48 115.15 131.12 1x6c h HIS 10 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1x6c h HIS 10 Cb 1.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1x6c h HIS 10 CO 0.98 0.99 0.00 0.41 0.86 0.00 0.00 177.93 181.17 1x6c n GLY 11 N 1.47 1.01 3.37 2.45 0.00 -1.26 -4.83 105.19 107.41 1x6c n GLY 11 Ca -0.10 -1.01 -0.46 0.00 0.00 0.00 0.00 46.02 44.45 1x6c n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x6c s HIS 12 N 0.00 3.48 0.21 1.61 3.76 -1.26 0.20 115.29 123.28 1x6c s HIS 12 Ca 0.00 -1.69 0.10 0.00 -0.15 0.00 0.00 55.06 53.32 1x6c s HIS 12 Cb 0.00 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.67 1x6c s HIS 12 CO 0.00 -1.17 -0.13 1.41 -0.85 0.00 0.00 174.74 174.00 1x6c s MET 13 N 1.21 1.91 -0.21 1.40 0.00 -1.26 -4.97 119.30 117.39 1x6c s MET 13 Ca 0.21 -1.41 -0.09 0.00 0.00 0.00 0.00 55.69 54.41 1x6c s MET 13 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 34.83 32.65 1x6c s MET 13 CO -0.07 0.41 0.10 -1.54 0.00 0.00 0.00 175.02 173.91 1x6c s SER 14 N -2.97 5.76 0.11 1.11 1.04 -1.26 -4.71 113.70 112.78 1x6c s SER 14 Ca 0.25 0.07 -0.21 0.00 0.48 0.00 0.00 55.95 56.54 1x6c s SER 14 Cb -0.08 -2.01 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1x6c s SER 14 CO 0.14 0.12 1.37 1.23 0.98 0.00 0.00 173.24 177.08 1x6c h GLY 15 N 7.12 -1.44 -0.56 7.32 0.00 -2.00 0.67 103.07 114.19 1x6c h GLY 15 Ca -0.38 0.91 0.31 0.00 0.00 0.00 0.00 47.33 48.18 1x6c h GLY 15 CO 0.68 -0.30 0.50 -1.33 0.00 0.00 0.00 176.54 176.08 1x6c h GLY 16 N -0.02 1.95 0.61 4.60 0.00 -2.00 -0.72 103.07 107.48 1x6c h GLY 16 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1x6c h GLY 16 CO -0.63 -0.50 -0.29 -1.61 0.00 0.00 0.00 176.54 173.52 1x6c h GLN 17 N 0.27 -0.79 -0.86 4.80 4.15 -0.13 -2.66 115.11 119.89 1x6c h GLN 17 Ca 0.71 0.05 0.16 0.00 0.77 0.00 0.00 58.65 60.34 1x6c h GLN 17 Cb 1.61 0.18 -0.15 0.00 0.21 0.00 0.00 27.48 29.33 1x6c h GLN 17 CO -0.64 -0.53 -0.26 0.00 -1.93 0.00 0.00 178.83 175.48 1x6c n ALA 18 N -2.46 0.10 -0.17 3.38 0.00 -0.20 0.19 120.51 121.35 1x6c n ALA 18 Ca -0.10 0.91 -0.03 0.00 0.00 0.00 0.00 53.44 54.22 1x6c n ALA 18 Cb 0.32 -0.50 0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.01 -0.36 0.00 5.08 -1.22 1.61 114.58 119.68 1x6c h GLU 19 Ca 0.37 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1x6c h GLU 19 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1x6c h GLU 19 CO -0.87 -0.00 -0.33 1.15 -1.00 0.00 0.00 179.01 177.96 1x6c h THR 20 N -0.01 1.28 0.68 1.13 2.02 0.25 -1.27 112.91 116.99 1x6c h THR 20 Ca 0.25 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 1x6c h THR 20 Cb 0.39 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1x6c h THR 20 CO -0.54 0.49 -0.33 -0.07 0.37 0.00 0.00 175.52 175.45 1x6c h LEU 21 N 0.68 -0.77 -0.88 2.58 4.07 0.27 1.52 115.31 122.78 1x6c h LEU 21 Ca 0.07 0.03 0.20 0.00 0.08 0.00 0.00 57.88 58.26 1x6c h LEU 21 Cb 0.88 0.20 -0.12 0.00 1.08 0.00 0.00 40.66 42.70 1x6c h LEU 21 CO 0.08 -0.46 0.39 -0.07 -1.08 0.00 0.00 178.44 177.29 1x6c h LEU 22 N -1.09 0.35 -0.05 1.67 3.38 0.22 0.48 115.31 120.28 1x6c h LEU 22 Ca -0.09 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1x6c h LEU 22 Cb 0.70 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1x6c h LEU 22 CO 0.15 0.04 -0.03 1.56 0.09 0.00 0.00 178.44 180.25 1x6c h GLN 23 N 0.43 0.11 -1.22 1.13 4.20 -1.08 0.13 115.11 118.81 1x6c h GLN 23 Ca 0.54 -0.05 0.36 0.00 0.06 0.00 0.00 58.65 59.55 1x6c h GLN 23 Cb 0.97 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.65 1x6c h GLN 23 CO -0.50 0.53 0.81 0.00 -0.67 0.00 0.00 178.83 179.00 1x6c h ALA 24 N 0.58 2.65 0.00 3.87 0.00 0.43 -1.25 119.26 125.53 1x6c h ALA 24 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x6c h ALA 24 Cb 0.50 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x6c h ALA 24 CO 0.01 -1.14 -0.04 -0.22 0.00 0.00 0.00 179.25 177.85 1x6c h LYS 25 N 0.19 0.00 0.00 0.00 1.63 -0.97 -3.49 116.57 113.94 1x6c h LYS 25 Ca 0.69 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1x6c h LYS 25 Cb 2.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.78 1x6c h LYS 25 CO -0.28 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.13 1x6c n GLY 26 N 1.80 2.66 3.09 5.01 0.00 0.01 -5.02 105.19 112.75 1x6c n GLY 26 Ca -0.01 -0.21 -0.57 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.00 -2.50 1.61 1.02 -1.26 -4.83 120.64 114.67 1x6c n GLU 27 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1x6c n GLU 27 Cb 0.00 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 4.41 4.64 -0.34 3.49 0.04 -1.26 -3.58 135.00 142.39 1x6c s PRO 28 Ca 1.03 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.83 1x6c s PRO 28 Cb -1.35 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1x6c s PRO 28 CO 0.65 0.20 0.29 0.91 0.04 0.00 0.00 177.00 179.09 1x6c n TRP 29 N 1.52 -0.66 -3.97 0.56 5.03 0.27 -4.73 117.44 115.47 1x6c n TRP 29 Ca -0.00 0.27 -0.34 0.00 3.03 0.00 0.00 57.50 60.45 1x6c n TRP 29 Cb 0.45 -2.70 -0.14 0.00 -1.03 0.00 0.00 31.31 27.89 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 -3.10 2.84 0.35 -0.99 2.01 -1.14 -0.29 115.64 115.33 1x6c s THR 30 Ca 0.04 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.10 1x6c s THR 30 Cb -0.02 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1x6c s THR 30 CO 0.20 0.22 0.28 0.72 -0.69 0.00 0.00 174.62 175.35 1x6c s PHE 31 N 1.32 2.83 -0.28 4.92 -0.71 -1.15 0.72 117.98 125.64 1x6c s PHE 31 Ca 0.00 -0.35 -0.22 0.00 -1.04 0.00 0.00 56.93 55.32 1x6c s PHE 31 Cb -0.16 -1.84 0.10 0.00 -1.21 0.00 0.00 43.02 39.91 1x6c s PHE 31 CO -0.05 0.16 0.86 -0.48 -1.34 0.00 0.00 175.22 174.37 1x6c s LEU 32 N -3.99 -0.65 -0.07 -1.99 0.05 -0.97 -0.24 118.68 110.81 1x6c s LEU 32 Ca 0.42 1.17 -0.11 0.00 0.05 0.00 0.00 54.13 55.66 1x6c s LEU 32 Cb -0.05 2.15 -0.05 0.00 -2.05 0.00 0.00 46.19 46.19 1x6c s LEU 32 CO 0.26 -0.20 0.26 -0.69 -0.55 0.00 0.00 176.35 175.44 1x6c s VAL 33 N 0.72 5.29 0.08 1.48 1.01 -1.23 -2.82 120.40 124.92 1x6c s VAL 33 Ca -0.02 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1x6c s VAL 33 Cb -0.05 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1x6c s VAL 33 CO -0.08 0.58 0.15 0.00 0.00 0.00 0.00 175.10 175.76 1x6c s ARG 34 N -0.92 0.79 0.09 2.72 1.70 -1.14 -0.98 118.95 121.22 1x6c s ARG 34 Ca 0.19 -0.99 -0.26 0.00 -0.47 0.00 0.00 55.73 54.20 1x6c s ARG 34 Cb -0.14 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.49 1x6c s ARG 34 CO 0.08 -0.24 0.81 -1.21 -1.08 0.00 0.00 175.30 173.66 1x6c s GLU 35 N -3.80 4.57 0.02 3.89 2.02 0.52 -2.57 118.70 123.35 1x6c s GLU 35 Ca 0.05 1.18 -0.30 0.00 0.02 0.00 0.00 54.97 55.91 1x6c s GLU 35 Cb 0.05 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.88 1x6c s GLU 35 CO -0.10 0.34 1.38 -1.54 0.02 0.00 0.00 175.26 175.35 1x6c s SER 36 N -0.32 6.87 -0.19 -0.19 1.04 0.16 -4.28 113.70 116.78 1x6c s SER 36 Ca 0.40 2.13 -0.07 0.00 0.48 0.00 0.00 55.95 58.89 1x6c s SER 36 Cb -0.22 -2.57 -0.21 0.00 0.10 0.00 0.00 66.02 63.13 1x6c s SER 36 CO 0.25 -0.68 0.08 0.18 0.98 0.00 0.00 173.24 174.05 1x6c n LEU 37 N 5.00 2.55 0.06 2.42 4.32 -1.26 -4.35 117.00 125.75 1x6c n LEU 37 Ca 0.12 0.15 0.01 0.00 -0.02 0.00 0.00 56.01 56.28 1x6c n LEU 37 Cb 0.44 -1.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.18 1x6c n LEU 37 CO 0.58 0.76 -0.08 0.28 -1.22 0.00 0.00 177.39 177.72 1x6c h SER 38 N -0.23 0.00 -3.09 -1.43 0.02 -1.97 -3.46 113.55 103.39 1x6c h SER 38 Ca -0.49 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.85 1x6c h SER 38 Cb 1.84 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.32 1x6c h SER 38 CO -0.07 0.52 -0.21 -1.58 -1.14 0.00 0.00 176.83 174.36 1x6c s GLN 39 N -2.96 4.02 -0.10 3.45 2.00 -1.26 -5.04 119.66 119.76 1x6c s GLN 39 Ca -0.01 0.38 -0.30 0.00 -2.00 0.00 0.00 55.36 53.44 1x6c s GLN 39 Cb 0.08 -3.28 -0.03 0.00 0.80 0.00 0.00 33.01 30.59 1x6c s GLN 39 CO 0.79 0.56 1.25 -1.25 -0.50 0.00 0.00 175.29 176.14 1x6c s PRO 40 N -0.64 4.29 -1.11 1.67 0.04 -1.26 -3.86 135.00 134.12 1x6c s PRO 40 Ca 0.23 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1x6c s PRO 40 Cb -0.16 -3.66 0.04 0.00 0.04 0.00 0.00 34.50 30.76 1x6c s PRO 40 CO 0.12 -0.58 0.57 0.41 0.04 0.00 0.00 177.00 177.56 1x6c n GLY 41 N 3.50 -0.70 3.33 0.56 0.00 -1.26 -4.93 105.19 105.70 1x6c n GLY 41 Ca 0.12 0.29 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 1x6c n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6c s ASP 42 N -3.72 1.95 0.06 1.61 2.15 -1.25 -4.67 116.67 112.80 1x6c s ASP 42 Ca 0.42 -1.76 -0.07 0.00 0.43 0.00 0.00 52.55 51.57 1x6c s ASP 42 Cb -0.23 0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 42.94 1x6c s ASP 42 CO 0.88 -1.05 0.13 -0.36 -0.17 0.00 0.00 175.17 174.60 1x6c s PHE 43 N -3.38 0.20 0.01 -5.34 0.40 -1.24 -0.66 117.98 107.97 1x6c s PHE 43 Ca 0.37 -0.58 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 1x6c s PHE 43 Cb 0.02 -0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.40 1x6c s PHE 43 CO 0.25 -0.44 -0.23 0.08 0.70 0.00 0.00 175.22 175.58 1x6c s VAL 44 N -3.26 1.81 -0.38 -0.44 1.01 -1.06 0.03 120.40 118.10 1x6c s VAL 44 Ca 0.01 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1x6c s VAL 44 Cb 0.02 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 34.98 1x6c s VAL 44 CO -0.08 0.39 0.13 -0.22 0.00 0.00 0.00 175.10 175.33 1x6c s LEU 45 N -0.84 4.96 -0.43 3.92 2.96 0.11 -2.87 118.68 126.49 1x6c s LEU 45 Ca 0.09 -2.16 -0.21 0.00 -0.22 0.00 0.00 54.13 51.63 1x6c s LEU 45 Cb -0.09 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1x6c s LEU 45 CO 0.00 -0.44 0.66 -0.55 -1.32 0.00 0.00 176.35 174.70 1x6c s SER 46 N 1.22 6.34 -0.16 3.68 0.15 -1.13 0.16 113.70 123.96 1x6c s SER 46 Ca 0.10 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 1x6c s SER 46 Cb -0.21 -2.33 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1x6c s SER 46 CO -0.06 -0.77 -0.09 -0.69 1.20 0.00 0.00 173.24 172.82 1x6c s VAL 47 N 2.85 3.22 -0.10 4.45 1.01 0.04 -2.30 120.40 129.58 1x6c s VAL 47 Ca 0.23 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1x6c s VAL 47 Cb -0.14 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1x6c s VAL 47 CO 0.19 0.49 1.10 -0.22 0.00 0.00 0.00 175.10 176.66 1x6c s LEU 48 N 0.73 4.24 0.57 3.92 2.96 0.22 -2.08 118.68 129.25 1x6c s LEU 48 Ca -0.04 1.64 -0.04 0.00 -0.22 0.00 0.00 54.13 55.47 1x6c s LEU 48 Cb -0.15 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x6c s LEU 48 CO 0.02 -0.54 0.85 -0.94 -1.32 0.00 0.00 176.35 174.42 1x6c s SER 49 N 1.31 5.50 -0.10 3.68 1.04 -1.12 0.96 113.70 124.98 1x6c s SER 49 Ca 0.51 0.51 0.16 0.00 0.48 0.00 0.00 55.95 57.62 1x6c s SER 49 Cb -0.21 -1.50 0.65 0.00 0.10 0.00 0.00 66.02 65.06 1x6c s SER 49 CO 0.18 -1.07 1.54 -0.90 0.98 0.00 0.00 173.24 173.97 1x6c n ASP 50 N -2.50 4.28 -4.38 7.02 5.75 -1.26 -4.52 116.55 120.94 1x6c n ASP 50 Ca 0.05 -2.38 -0.40 0.00 -0.01 0.00 0.00 54.79 52.05 1x6c n ASP 50 Cb 0.58 -0.54 -0.11 0.00 -1.03 0.00 0.00 41.12 40.01 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 -1.79 2.96 0.94 0.11 -1.52 -1.26 -5.05 119.66 114.04 1x6c s GLN 51 Ca 0.46 -0.98 -0.13 0.00 -1.95 0.00 0.00 55.36 52.75 1x6c s GLN 51 Cb 0.29 -3.65 0.16 0.00 -0.22 0.00 0.00 33.01 29.59 1x6c s GLN 51 CO 0.22 -0.61 1.15 -1.25 -0.25 0.00 0.00 175.29 174.56 1x6c s PRO 52 N 1.56 0.86 -0.17 2.91 0.04 -1.26 -2.05 135.00 136.89 1x6c s PRO 52 Ca 0.02 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.12 1x6c s PRO 52 Cb -0.19 -1.82 -0.22 0.00 0.04 0.00 0.00 34.50 32.32 1x6c s PRO 52 CO 0.06 -2.36 0.22 1.63 0.04 0.00 0.00 177.00 176.59 1x6c n LYS 53 N -3.86 0.67 -0.02 4.56 5.02 -1.20 -4.62 118.16 118.70 1x6c n LYS 53 Ca 0.08 0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 56.74 1x6c n LYS 53 Cb 0.59 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.26 1.97 0.00 7.82 0.00 -1.26 -5.12 120.51 120.66 1x6c n ALA 54 Ca -0.35 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1x6c n ALA 54 Cb 0.89 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 2.53 0.31 3.61 0.00 0.00 -1.26 -4.98 105.19 105.41 1x6c n GLY 55 Ca -0.06 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 3.67 0.00 1.61 0.04 -1.26 -2.34 135.00 136.72 1x6c s PRO 56 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1x6c s PRO 56 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1x6c s PRO 56 CO 0.00 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.01 1x6c n GLY 57 N 4.86 1.00 3.66 0.56 0.00 -1.26 -5.11 105.19 108.90 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 -1.45 4.75 0.34 1.61 1.04 -0.99 -5.07 113.70 113.94 1x6c s SER 58 Ca 0.00 -0.37 -0.27 0.00 0.48 0.00 0.00 55.95 55.80 1x6c s SER 58 Cb 0.00 -1.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.01 1x6c s SER 58 CO 0.00 0.11 1.07 -2.16 0.98 0.00 0.00 173.24 173.24 1x6c s PRO 59 N -2.78 4.39 -0.02 4.02 0.04 -1.26 -4.72 135.00 134.68 1x6c s PRO 59 Ca 0.26 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1x6c s PRO 59 Cb -0.10 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 1x6c s PRO 59 CO 0.18 0.03 1.14 -0.51 0.04 0.00 0.00 177.00 177.88 1x6c s LEU 60 N -2.07 4.31 0.98 -3.56 1.43 -1.26 -3.28 118.68 115.24 1x6c s LEU 60 Ca 0.51 1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 1x6c s LEU 60 Cb -0.27 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 1x6c s LEU 60 CO 0.34 -0.48 -0.34 0.54 0.23 0.00 0.00 176.35 176.64 1x6c n ARG 61 N 4.62 -0.16 -4.41 1.70 1.74 -0.87 -4.69 116.66 114.59 1x6c n ARG 61 Ca 0.09 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.87 1x6c n ARG 61 Cb 0.47 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.16 2.30 -0.18 1.55 1.01 -1.26 -2.80 120.40 118.85 1x6c s VAL 62 Ca 0.47 -1.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1x6c s VAL 62 Cb -0.18 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1x6c s VAL 62 CO 0.76 -0.07 -0.04 -0.89 0.00 0.00 0.00 175.10 174.85 1x6c s THR 63 N -1.52 1.14 -0.57 3.92 2.01 -0.88 -4.97 115.64 114.76 1x6c s THR 63 Ca 0.19 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 1x6c s THR 63 Cb -0.08 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.14 1x6c s THR 63 CO 0.09 0.05 0.72 -1.00 -0.69 0.00 0.00 174.62 173.79 1x6c s HIS 64 N 1.60 2.96 -0.72 4.92 3.76 -1.26 -0.78 115.29 125.78 1x6c s HIS 64 Ca -0.01 -0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 53.97 1x6c s HIS 64 Cb -0.16 -3.91 0.11 0.00 1.11 0.00 0.00 32.58 29.73 1x6c s HIS 64 CO -0.07 -1.27 0.90 0.42 -0.85 0.00 0.00 174.74 173.87 1x6c s ILE 65 N 2.90 4.72 0.23 0.60 1.09 0.42 -4.80 121.20 126.36 1x6c s ILE 65 Ca 0.15 -1.10 -0.30 0.00 -1.10 0.00 0.00 60.65 58.29 1x6c s ILE 65 Cb -0.21 -4.62 -0.10 0.00 -1.06 0.00 0.00 42.46 36.46 1x6c s ILE 65 CO 0.09 -1.32 1.49 -0.54 -0.10 0.00 0.00 174.94 174.56 1x6c s LYS 66 N 2.87 4.24 -0.22 2.79 1.02 -1.26 0.09 119.74 129.26 1x6c s LYS 66 Ca 0.21 2.35 -0.10 0.00 0.02 0.00 0.00 55.97 58.45 1x6c s LYS 66 Cb -0.16 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 1x6c s LYS 66 CO 0.02 -0.49 0.13 0.08 -0.92 0.00 0.00 175.35 174.16 1x6c s VAL 67 N 0.30 5.19 -0.42 3.17 1.01 0.10 -4.52 120.40 125.23 1x6c s VAL 67 Ca 0.63 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 1x6c s VAL 67 Cb -0.43 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1x6c s VAL 67 CO 0.41 0.38 0.57 -0.04 0.00 0.00 0.00 175.10 176.42 1x6c s MET 68 N 0.83 3.30 -0.74 2.72 -1.94 0.33 -3.64 119.30 120.16 1x6c s MET 68 Ca 0.07 -0.43 -0.15 0.00 -1.71 0.00 0.00 55.69 53.47 1x6c s MET 68 Cb -0.13 -3.93 0.19 0.00 2.01 0.00 0.00 34.83 32.97 1x6c s MET 68 CO 0.02 -0.90 0.69 0.00 -0.01 0.00 0.00 175.02 174.82 1x6c s GLU 70 N 0.69 1.13 -1.34 0.00 1.03 0.11 -4.73 118.70 115.59 1x6c s GLU 70 Ca 0.14 -0.67 -0.02 0.00 0.03 0.00 0.00 54.97 54.44 1x6c s GLU 70 Cb -0.16 -1.13 0.01 0.00 -0.80 0.00 0.00 34.13 32.05 1x6c s GLU 70 CO -0.05 0.30 0.15 0.41 -1.33 0.00 0.00 175.26 174.74 1x6c n GLY 71 N 2.29 -0.50 2.36 -3.83 0.00 -1.26 0.60 105.19 104.84 1x6c n GLY 71 Ca -0.16 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.01 1.05 3.35 -0.02 0.00 -1.26 -4.99 105.19 102.30 1x6c n GLY 72 Ca -0.15 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.59 1.39 -0.06 1.61 0.52 0.20 -4.63 118.95 115.38 1x6c s ARG 73 Ca 0.00 -1.24 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 1x6c s ARG 73 Cb 0.00 -1.76 -0.03 0.00 0.52 0.00 0.00 34.95 33.68 1x6c s ARG 73 CO 0.00 0.42 -0.09 0.71 0.02 0.00 0.00 175.30 176.36 1x6c s TYR 74 N -1.03 2.88 -0.03 -0.53 2.02 0.16 0.08 117.35 120.89 1x6c s TYR 74 Ca 0.11 -0.04 -0.25 0.00 -0.37 0.00 0.00 57.07 56.53 1x6c s TYR 74 Cb -0.10 -1.69 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1x6c s TYR 74 CO 0.05 0.28 0.53 -0.08 -1.57 0.00 0.00 175.55 174.77 1x6c s THR 75 N -0.76 0.02 -2.23 -0.71 -1.32 -0.33 -1.06 115.64 109.25 1x6c s THR 75 Ca 0.12 -0.19 0.19 0.00 -1.21 0.00 0.00 61.69 60.60 1x6c s THR 75 Cb -0.11 -0.85 0.44 0.00 -1.51 0.00 0.00 72.50 70.47 1x6c s THR 75 CO 0.01 -0.10 1.44 1.33 -2.21 0.00 0.00 174.62 175.09 1x6c n VAL 76 N 1.04 0.44 0.00 5.08 0.24 -1.26 0.12 118.33 123.99 1x6c n VAL 76 Ca -0.20 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1x6c n VAL 76 Cb 0.57 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 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 1.28 1.84 3.66 7.63 0.00 -1.26 -4.89 105.19 113.44 1x6c n GLY 77 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 2.81 0.05 -0.02 0.00 -1.26 -5.06 107.32 101.84 1x6c s GLY 78 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 44.72 43.60 1x6c s GLY 78 CO 0.00 -2.06 1.50 -2.00 0.00 0.00 0.00 173.10 170.55 1x6c h LEU 79 N 1.56 0.13 -9.82 0.66 6.46 -2.00 -3.44 115.31 108.86 1x6c h LEU 79 Ca -0.41 -0.27 -0.56 0.00 -0.12 0.00 0.00 57.88 56.52 1x6c h LEU 79 Cb 1.29 -0.04 0.12 0.00 -0.73 0.00 0.00 40.66 41.31 1x6c h LEU 79 CO 0.69 0.37 0.52 -0.62 -0.62 0.00 0.00 178.44 178.78 1x6c n GLU 80 N -4.87 2.04 -3.11 1.25 1.02 -1.26 -5.00 120.64 110.71 1x6c n GLU 80 Ca -0.06 0.72 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 1x6c n GLU 80 Cb 0.17 -2.39 -0.04 0.00 -0.02 0.00 0.00 31.44 29.16 1x6c n GLU 80 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1x6c n THR 81 N -0.02 0.00 -3.46 2.62 -2.24 -1.26 -4.67 114.28 105.24 1x6c n THR 81 Ca 0.06 -1.14 -0.13 0.00 -2.27 0.00 0.00 64.05 60.57 1x6c n THR 81 Cb 0.39 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.41 -0.52 -0.15 4.78 0.08 -0.23 -4.89 117.98 114.64 1x6c s PHE 82 Ca 0.13 0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.61 1x6c s PHE 82 Cb 0.01 0.50 -0.23 0.00 -0.57 0.00 0.00 43.02 42.73 1x6c s PHE 82 CO 0.09 -0.80 0.22 -3.47 -0.10 0.00 0.00 175.22 171.17 1x6c n ASP 83 N -0.16 1.51 -4.25 1.36 2.03 -1.26 0.38 116.55 116.15 1x6c n ASP 83 Ca -0.17 0.13 -0.25 0.00 0.52 0.00 0.00 54.79 55.02 1x6c n ASP 83 Cb 0.64 -0.29 -0.14 0.00 -0.72 0.00 0.00 41.12 40.61 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 -6.47 2.43 0.46 1.67 1.04 -1.26 -4.82 113.70 106.75 1x6c s SER 84 Ca -0.20 -0.57 0.19 0.00 0.48 0.00 0.00 55.95 55.85 1x6c s SER 84 Cb 0.07 -0.18 1.16 0.00 0.10 0.00 0.00 66.02 67.18 1x6c s SER 84 CO 0.74 0.12 1.95 -0.07 0.98 0.00 0.00 173.24 176.97 1x6c h LEU 85 N 4.64 0.26 -0.40 2.42 -0.00 -1.98 0.41 115.31 120.66 1x6c h LEU 85 Ca -0.43 0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.48 1x6c h LEU 85 Cb 1.17 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.76 1x6c h LEU 85 CO 0.43 0.14 0.24 0.74 -0.00 0.00 0.00 178.44 179.98 1x6c h THR 86 N 0.28 1.05 0.00 0.22 2.02 -1.98 1.21 112.91 115.71 1x6c h THR 86 Ca 0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1x6c h THR 86 Cb 0.86 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1x6c h THR 86 CO -0.08 0.09 0.00 -0.78 0.37 0.00 0.00 175.52 175.12 1x6c h ASP 87 N 0.49 0.00 0.02 4.18 1.82 -1.36 0.43 116.42 122.00 1x6c h ASP 87 Ca 0.16 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.64 1x6c h ASP 87 Cb -0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1x6c h ASP 87 CO -0.07 0.00 -0.83 0.25 -1.61 0.00 0.00 179.24 176.98 1x6c h LEU 88 N 0.00 0.08 0.27 2.28 6.46 -0.00 -3.11 115.31 121.29 1x6c h LEU 88 Ca 0.00 -0.75 -0.01 0.00 -0.12 0.00 0.00 57.88 56.99 1x6c h LEU 88 Cb 0.47 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1x6c h LEU 88 CO 0.00 1.34 -0.13 0.58 -0.62 0.00 0.00 178.44 179.61 1x6c h VAL 89 N -0.86 0.72 0.00 1.05 2.07 0.15 -2.06 116.25 117.32 1x6c h VAL 89 Ca -0.21 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1x6c h VAL 89 Cb 1.29 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1x6c h VAL 89 CO -0.08 0.14 0.22 -0.33 0.02 0.00 0.00 177.57 177.54 1x6c h GLU 90 N -0.79 0.00 0.03 1.57 5.08 -0.32 0.88 114.58 121.02 1x6c h GLU 90 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1x6c h GLU 90 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x6c h GLU 90 CO 0.06 0.00 -0.01 1.25 -1.00 0.00 0.00 179.01 179.31 1x6c h HIS 91 N 0.00 -0.04 0.00 4.33 2.76 -1.40 -3.32 115.15 117.48 1x6c h HIS 91 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1x6c h HIS 91 Cb 0.44 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1x6c h HIS 91 CO 0.00 -0.02 0.00 1.19 -1.30 0.00 0.00 177.93 177.80 1x6c n PHE 92 N -4.45 0.00 0.30 5.26 3.72 -0.71 -2.53 117.46 119.05 1x6c n PHE 92 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1x6c n PHE 92 Cb 0.02 -0.33 0.59 0.00 -0.94 0.00 0.00 39.48 38.81 1x6c n PHE 92 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1x6c h LYS 93 N 0.00 0.00 0.00 -1.08 1.57 0.66 -0.79 116.57 116.93 1x6c h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x6c h LYS 93 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1x6c h LYS 93 CO 0.00 0.00 -0.18 0.36 -0.57 0.00 0.00 179.45 179.06 1x6c n LYS 94 N -2.36 0.10 0.09 3.15 2.85 -1.05 -4.48 118.16 116.45 1x6c n LYS 94 Ca 0.00 0.04 -0.14 0.00 -1.05 0.00 0.00 58.31 57.16 1x6c n LYS 94 Cb 0.15 -0.57 -0.07 0.00 -0.65 0.00 0.00 35.03 33.90 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 -0.18 0.17 0.00 0.58 1.35 -1.63 -3.49 112.91 109.71 1x6c h THR 95 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x6c h THR 95 Cb 0.18 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1x6c h THR 95 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1x6c n GLY 96 N -1.45 1.23 3.65 5.82 0.00 -0.30 -4.99 105.19 109.15 1x6c n GLY 96 Ca -0.06 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.73 3.64 -0.12 -0.61 1.01 0.41 -4.89 121.20 118.92 1x6c s ILE 97 Ca 0.00 -1.51 0.01 0.00 0.00 0.00 0.00 60.65 59.15 1x6c s ILE 97 Cb 0.00 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 1x6c s ILE 97 CO 0.00 -0.15 -0.15 -0.70 0.00 0.00 0.00 174.94 173.95 1x6c s GLU 98 N -3.03 3.33 0.80 2.79 2.12 -1.26 0.19 118.70 123.63 1x6c s GLU 98 Ca 0.28 -0.72 -0.10 0.00 0.36 0.00 0.00 54.97 54.79 1x6c s GLU 98 Cb -0.09 -2.58 0.11 0.00 0.26 0.00 0.00 34.13 31.84 1x6c s GLU 98 CO 0.18 0.21 1.14 -1.21 -0.54 0.00 0.00 175.26 175.04 1x6c s GLU 99 N 0.34 1.65 0.22 4.30 2.02 0.31 -4.94 118.70 122.60 1x6c s GLU 99 Ca -0.12 -0.32 0.12 0.00 0.02 0.00 0.00 54.97 54.67 1x6c s GLU 99 Cb -0.16 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.04 1x6c s GLU 99 CO 0.06 -1.67 1.41 0.00 0.02 0.00 0.00 175.26 175.08 1x6c h ALA 100 N -0.99 0.58 0.00 5.21 0.00 -2.00 -2.98 119.26 119.08 1x6c h ALA 100 Ca -0.44 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1x6c h ALA 100 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x6c h ALA 100 CO 0.53 0.87 0.00 0.45 0.00 0.00 0.00 179.25 181.10 1x6c n SER 101 N -3.33 0.47 0.00 0.00 2.88 -1.26 -4.84 113.62 107.55 1x6c n SER 101 Ca 0.01 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1x6c n SER 101 Cb 0.79 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1x6c n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6c n GLY 102 N -0.09 2.81 3.79 0.46 0.00 -1.13 -5.07 105.19 105.96 1x6c n GLY 102 Ca 0.02 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 -2.54 2.62 0.11 4.61 0.00 -1.26 -4.69 121.76 120.61 1x6c s ALA 103 Ca 0.00 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.51 1x6c s ALA 103 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1x6c s ALA 103 CO 0.00 -1.02 -0.07 -0.06 0.00 0.00 0.00 175.76 174.61 1x6c s PHE 104 N -2.37 2.80 0.08 0.00 0.40 -1.26 0.11 117.98 117.74 1x6c s PHE 104 Ca 0.65 -0.13 0.09 0.00 -0.60 0.00 0.00 56.93 56.95 1x6c s PHE 104 Cb -0.18 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1x6c s PHE 104 CO 0.39 0.45 -0.24 0.08 0.70 0.00 0.00 175.22 176.60 1x6c s VAL 105 N -1.31 1.93 0.11 -0.44 1.01 0.49 -4.91 120.40 117.28 1x6c s VAL 105 Ca 0.23 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.81 1x6c s VAL 105 Cb -0.11 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1x6c s VAL 105 CO 0.15 0.16 -0.13 -0.31 0.00 0.00 0.00 175.10 174.98 1x6c s TYR 106 N -0.94 1.25 -0.64 5.22 1.51 -1.26 0.16 117.35 122.65 1x6c s TYR 106 Ca 0.10 -0.58 -0.13 0.00 -1.01 0.00 0.00 57.07 55.45 1x6c s TYR 106 Cb -0.10 -0.67 0.16 0.00 -0.11 0.00 0.00 41.96 41.25 1x6c s TYR 106 CO 0.03 0.08 0.57 -0.51 -1.11 0.00 0.00 175.55 174.61 1x6c s LEU 107 N -2.38 6.24 -0.10 -1.29 1.02 -1.26 -4.40 118.68 116.52 1x6c s LEU 107 Ca 0.06 -2.21 -0.27 0.00 0.02 0.00 0.00 54.13 51.73 1x6c s LEU 107 Cb -0.05 -2.15 -0.23 0.00 0.02 0.00 0.00 46.19 43.78 1x6c s LEU 107 CO 0.02 -0.69 0.92 0.03 0.02 0.00 0.00 176.35 176.65 1x6c h ARG 108 N 8.28 -0.01 -3.16 1.70 3.08 -0.94 -3.45 114.38 119.88 1x6c h ARG 108 Ca -0.12 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1x6c h ARG 108 Cb 1.06 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.87 1x6c h ARG 108 CO 0.88 0.78 -0.43 1.14 -1.07 0.00 0.00 179.97 181.28 1x6c s GLN 109 N -2.93 0.32 0.71 0.04 -2.07 -0.94 -5.06 119.66 109.73 1x6c s GLN 109 Ca -0.17 0.26 -0.11 0.00 -1.82 0.00 0.00 55.36 53.52 1x6c s GLN 109 Cb -0.01 0.15 0.02 0.00 -1.09 0.00 0.00 33.01 32.08 1x6c s GLN 109 CO 0.66 -0.05 1.07 -1.25 -1.32 0.00 0.00 175.29 174.40 1x6c s PRO 110 N -0.05 2.80 -0.40 9.60 0.04 -1.26 -2.93 135.00 142.79 1x6c s PRO 110 Ca -0.02 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 1x6c s PRO 110 Cb -0.02 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1x6c s PRO 110 CO 0.01 -1.18 0.62 -0.47 0.04 0.00 0.00 177.00 176.01 1x6c s TYR 111 N -3.06 3.11 -0.11 0.56 5.04 0.66 -4.83 117.35 118.72 1x6c s TYR 111 Ca 0.58 0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 55.26 1x6c s TYR 111 Cb -0.14 -3.22 -0.02 0.00 0.35 0.00 0.00 41.96 38.92 1x6c s TYR 111 CO 0.55 -0.76 0.05 1.88 -1.34 0.00 0.00 175.55 175.93 1x6c h TYR 112 N 8.71 0.00 -4.44 4.97 -1.99 -1.90 -3.40 116.97 118.91 1x6c h TYR 112 Ca -0.26 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.48 1x6c h TYR 112 Cb 1.10 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 39.74 1x6c h TYR 112 CO 0.73 0.08 -1.16 0.45 -0.00 0.00 0.00 178.16 178.26 1x6c n SER 113 N -4.76 -0.90 -3.62 3.88 2.88 -1.26 -4.99 113.62 104.85 1x6c n SER 113 Ca -0.01 0.98 -0.10 0.00 -1.33 0.00 0.00 58.87 58.40 1x6c n SER 113 Cb 0.05 -4.10 -0.11 0.00 -0.75 0.00 0.00 64.21 59.31 1x6c n SER 113 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6c s GLY 114 N -0.51 -0.28 0.42 0.46 0.00 -1.26 -5.15 107.32 101.01 1x6c s GLY 114 Ca -0.21 1.21 -0.23 0.00 0.00 0.00 0.00 44.72 45.49 1x6c s GLY 114 CO 0.58 2.29 1.05 2.56 0.00 0.00 0.00 173.10 179.58 1x6c s PRO 115 N 2.53 4.07 -0.10 2.90 0.04 -1.26 -5.06 135.00 138.12 1x6c s PRO 115 Ca 0.01 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.45 1x6c s PRO 115 Cb -0.13 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.02 1x6c s PRO 115 CO -0.12 -0.22 0.26 -1.12 0.04 0.00 0.00 177.00 175.84 1x6c s SER 116 N -1.66 -0.27 -0.30 6.66 0.01 -1.26 -5.14 113.70 111.74 1x6c s SER 116 Ca 0.60 0.53 -0.12 0.00 1.31 0.00 0.00 55.95 58.27 1x6c s SER 116 Cb -0.21 0.50 0.17 0.00 0.21 0.00 0.00 66.02 66.69 1x6c s SER 116 CO 0.26 -0.11 0.94 -0.44 0.41 0.00 0.00 173.24 174.30 1x6c s SER 117 N 0.44 -0.68 0.00 2.44 0.01 -1.26 -5.35 113.70 109.29 1x6c s SER 117 Ca -0.02 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1x6c s SER 117 Cb -0.04 1.68 0.00 0.00 0.21 0.00 0.00 66.02 67.87 1x6c s SER 117 CO -0.02 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.11